A0A2K5KHT6_CERAT Loading...

Extracellular leucine rich repeat and fibronectin type III domain containing 2

AlphaFold DB , UniProt , Accession A0A2K5KHT6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ELFN2, Length 820 aa.

						>A0A2K5KHT6_CERAT|A0A2K5KHT6|ELFN2
MLRLGLWAAALLCVCRPGAVSADCWLIEGDKGYVWLAICSQNQPPYETIPQHINSTVHDLRLNENKLKAVLYSSLNRFGNLTDLNLTKNEISYIEDGAFLGQSSLQVLQLGYNKLSNLTEGMLRGMSRLQFLFVQHNLIEVVTPTAFSECPSLISIDLSSNRLSRLDGATFASLASLMVCELAGNPFNCECDLFGFLAWLVVFNNVTKNYDRLQCESPREFAGYPLLVPRPYHSLNAITVLQAKCRNGSLPARPVSHPTPYSTDAQREPDENSGFNPDEILSVEPPASSTTDASAGPAIKLHHVTFTSATLVVIIPHPYSKMYVLVQYNNSYFSDVMTLKNKKEIVTLDKLRAHTEYTFCVTSLRNSRRFNHTCLTFTTRDPVPGDLAPSTSTTTHYIMTILGCLFGMVIVLGAVYYCLRKRRMQEEKQKSVNVKKTILEMRYGADVDAGSIVHAAQKLGEPPVLPVSRMASIPSMIGEKLPTAKGLEAGLDTPKVATKGNYIEVRTGAGGDGLARPEDDLPDLENGQGSAAEISTIAKEVDKVNQIINNCIDALKLDSASFLGGGSGSGDPELAFECQSLPAAAAASSATAPGALERPSFLSPPYKESSHHPLQRQLSADAAVTRKTCSVSSSGSIKSAKVFSLDVPDHPAATGLAKGDSKYIEKGSPLNSPLDRLPLVPAGSGGGSGGGGGIHHLEVKPAYHCSEHRHSFPALYYEEGADSLSQRVSFLKPLTRSKRDSTYSQLSPRHYYSGYSSSPEYSSESTHKIWERFRPYKKHHREEVYMAAGHALRKKVQFAKDEDLHDILDYWKGVSAQQKL
					

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(Predicted Aligned Error values between residue pairs)

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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	46.3	Very low	44.5	Very low	225 Å²	225	126.5 Å²	126.5	100%	1.108	67%	0.666	S	S	*	*				0	-40.8	0	-70	-172.7	178	0	0	114.3	R3 L4	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.86Å; M1-L4 PolarHBondContact O-N 3.49Å; M1-L4 VanDerWaalsContact O-N 3.11Å
2	L	46	Very low	44.4	Very low	154 Å²	154	127.3 Å²	127.3	81%	0.806	67%	0.671	S	S	*	*	H	α-helix	trans	-43.6	-41.1	-171.6	-93	67.8	0	0	0	117.1	L4 G5	L2-L4 VanDerWaalsContact C-N 3.26Å; L2-L4 PolarHBondContact O-N 3.17Å; L2-G5 PolarHBondContact O-N 2.84Å
3	R	40.4	Very low	43.8	Very low	224 Å²	224	125.6 Å²	125.6	85%	0.845	67%	0.674	S	S	*	*	H	α-helix	trans	-64	-21.3	-176.6	-74.8	-171.8	176.6	-178.3	-0.4	115.1	M1	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.86Å
4	L	44.2	Very low	43.7	Very low	148 Å²	148	125.1 Å²	125.1	78%	0.775	68%	0.677	S	S	*	*	H	α-helix	trans	-76.7	-29.2	173.1	-107.3	70.2	0	0	0	112.7	M1 L2 W7 A8	M1-L4 PolarHBondContact O-N 3.49Å; M1-L4 VanDerWaalsContact O-N 3.11Å; L2-L4 VanDerWaalsContact C-N 3.26Å; L2-L4 PolarHBondContact O-N 3.17Å; L4-W7 PolarHBondContact O-N 3.31Å; L4-A8 PolarHBondContact O-N 3.43Å
5	G	41.7	Very low	43.3	Very low	45 Å²	45	122.9 Å²	122.9	46%	0.464	67%	0.673	S	S	.	*	H	α-helix	trans	-67	-41.2	-177	0	0	0	0	0	113.2	L2 W7 A8 A9	L2-G5 PolarHBondContact O-N 2.84Å; G5-W7 VanDerWaalsContact C-N 3.34Å; G5-W7 PolarHBondContact O-N 3.05Å; G5-A8 PolarHBondContact O-N 3.44Å; G5-A9 PolarHBondContact O-N 3.38Å
6	L	46.3	Very low	42.8	Very low	132 Å²	132	128.4 Å²	128.4	69%	0.691	68%	0.681	S	S	*	*	H	α-helix	trans	-63.5	-37.9	178.8	-91.2	71	0	0	0	112.5	A9 A10	L6-A9 PolarHBondContact O-N 3.32Å; L6-A10 WeakPolarHBondContact O-CB 3.11Å; L6-A10 PolarHBondContact O-N 3.08Å
7	W	43.6	Very low	42.7	Very low	193 Å²	193	127.9 Å²	127.9	73%	0.731	69%	0.687	S	S	*	*	H	α-helix	trans	-69.4	-37.3	177.9	-80.4	78.9	0	0	0	112.2	L4 G5 A10 L11	L4-W7 PolarHBondContact O-N 3.31Å; G5-W7 VanDerWaalsContact C-N 3.34Å; G5-W7 PolarHBondContact O-N 3.05Å; W7-A10 PolarHBondContact O-N 2.98Å; W7-L11 PolarHBondContact O-N 3.06Å
8	A	46.2	Very low	42.3	Very low	53 Å²	53	124.2 Å²	124.2	44%	0.438	68%	0.683	S	S	.	*	H	α-helix	trans	-64.1	-41.4	172.9	0	0	0	0	0	112.1	L4 G5 L12	L4-A8 PolarHBondContact O-N 3.43Å; G5-A8 PolarHBondContact O-N 3.44Å; A8-L12 WeakPolarHBondContact O-CG 3.33Å; A8-L12 PolarHBondContact O-N 3.34Å
9	A	47.2	Very low	42.2	Very low	55 Å²	55	123.1 Å²	123.1	46%	0.455	69%	0.692	S	S	.	*	H	α-helix	trans	-64.9	-42.7	175.7	0	0	0	0	0	112.4	G5 L6 L12 C13	G5-A9 PolarHBondContact O-N 3.38Å; L6-A9 PolarHBondContact O-N 3.32Å; A9-L12 PolarHBondContact O-N 2.87Å; A9-C13 PolarHBondContact O-N 3.44Å; A9-C13 VanDerWaalsContact O-N 3.12Å
10	A	45	Very low	42.3	Very low	56 Å²	56	122.1 Å²	122.1	46%	0.463	69%	0.689	S	S	.	*	H	α-helix	trans	-61.9	-45.1	176.7	0	0	0	0	0	112.3	L6 W7 L12 C13 V14	L6-A10 WeakPolarHBondContact O-CB 3.11Å; L6-A10 PolarHBondContact O-N 3.08Å; W7-A10 PolarHBondContact O-N 2.98Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 3.17Å; A10-C13 PolarHBondContact O-N 2.86Å; A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 2.84Å; A10-V14 VanDerWaalsContact O-N 3.09Å
11	L	43	Very low	42.9	Very low	106 Å²	106	119.8 Å²	119.8	56%	0.555	68%	0.68	S	S	*	*	H	α-helix	trans	-63.1	-37.5	175.9	-87.1	156.4	0	0	0	112.7	W7 C13 V14 C15	W7-L11 PolarHBondContact O-N 3.06Å; L11-C13 VanDerWaalsContact C-N 3.32Å; L11-C13 PolarHBondContact O-N 3.09Å; L11-V14 PolarHBondContact O-N 3.05Å; L11-C15 WeakPolarHBondContact O-CB 3.28Å; L11-C15 PolarHBondContact O-N 2.96Å
12	L	43	Very low	43.5	Very low	137 Å²	137	109.9 Å²	109.9	72%	0.717	63%	0.634	S	S	*	*	H	α-helix	trans	-67.8	-28.2	175.3	-79.6	164.8	0	0	0	113.5	A8 A9 A10	A8-L12 WeakPolarHBondContact O-CG 3.33Å; A8-L12 PolarHBondContact O-N 3.34Å; A9-L12 PolarHBondContact O-N 2.87Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 3.17Å
13	C	37.2	Very low	44.8	Very low	105 Å²	105	107.6 Å²	107.6	71%	0.709	62%	0.623	S	S	*	*	H	α-helix	trans	-77.1	-35.2	172.7	-74.1	0	0	0	0	113	A9 A10 L11	A9-C13 PolarHBondContact O-N 3.44Å; A9-C13 VanDerWaalsContact O-N 3.12Å; A10-C13 PolarHBondContact O-N 2.86Å; L11-C13 VanDerWaalsContact C-N 3.32Å; L11-C13 PolarHBondContact O-N 3.09Å
14	V	41.6	Very low	46.9	Very low	119 Å²	119	97.8 Å²	97.8	72%	0.721	59%	0.589	S	S	*	*	H	α-helix	trans	-76	-26.5	177.6	175.5	0	0	0	0	112.1	A10 L11	A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 2.84Å; A10-V14 VanDerWaalsContact O-N 3.09Å; L11-V14 PolarHBondContact O-N 3.05Å
15	C	37.6	Very low	49	Very low	92 Å²	92	100.4 Å²	100.4	62%	0.622	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	30.6	179.9	-65.6	0	0	0	0	114.7	L11 P17	L11-C15 WeakPolarHBondContact O-CB 3.28Å; L11-C15 PolarHBondContact O-N 2.96Å; C15-P17 WeakPolarHBondContact O-CD 3.2Å
16	R	35.6	Very low	51.2	Low	211 Å²	211	101.6 Å²	101.6	80%	0.796	58%	0.584	S	S	*	*	S	Bend	trans	-67.7	123.2	147.4	-81.5	-171.8	173.2	-175.2	-1.8	106.9	G18	R16-G18 PolarHBondContact O-N 2.86Å; R16-G18 VanDerWaalsContact O-N 3.15Å
17	P	40.4	Very low	53.1	Low	120 Å²	120	99.5 Å²	99.5	78%	0.779	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-57.3	125.9	159.9	26.8	-31.6	0	0	0	106	C15 A19	C15-P17 WeakPolarHBondContact O-CD 3.2Å; P17-A19 PolarHBondContact O-N 2.88Å
18	G	36.7	Very low	55.1	Low	60 Å²	60	96.1 Å²	96.1	62%	0.619	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-52.2	131.8	170	0	0	0	0	0	107.5	R16 V20	R16-G18 PolarHBondContact O-N 2.86Å; R16-G18 VanDerWaalsContact O-N 3.15Å; G18-V20 VanDerWaalsContact C-N 3.27Å; G18-V20 PolarHBondContact O-N 3.17Å
19	A	39	Very low	56.5	Low	104 Å²	104	95.5 Å²	95.5	86%	0.86	56%	0.564	S	S	*	*			trans	-62.2	100	173	0	0	0	0	0	106.1	P17 S21	P17-A19 PolarHBondContact O-N 2.88Å; A19-S21 PolarHBondContact O-N 2.81Å
20	V	44.2	Very low	57.5	Low	102 Å²	102	99.5 Å²	99.5	62%	0.618	58%	0.578	S	S	*	*			trans	-62.8	109.4	-177.5	-178.2	0	0	0	0	105.5	G18 A22 Q43 P44	G18-V20 VanDerWaalsContact C-N 3.27Å; G18-V20 PolarHBondContact O-N 3.17Å; V20-A22 PolarHBondContact O-N 2.72Å; V20-Q43 VanDerWaalsContact CG1-O 3.25Å; V20-Q43 WeakPolarHBondContact CG1-O 3.25Å; V20-P44 VanDerWaalsContact O-CD 3.29Å; V20-P44 WeakPolarHBondContact O-CD 3.36Å
21	S	55.8	Low	59	Low	74 Å²	74	106.4 Å²	106.4	52%	0.517	60%	0.597	S	S	.	*			trans	-62	128	175.8	-173	0	0	0	0	106.9	A19 D23	A19-S21 PolarHBondContact O-N 2.81Å; S21-D23 WeakPolarHBondContact CB-OD1 3.42Å; S21-D23 PolarHBondContact O-N 3.03Å; S21-D23 PolarHBondContact OG-OD1 3.26Å
22	A	59.5	Low	60.3	Low	17 Å²	17	103 Å²	103	14%	0.14	59%	0.587	C	S	.	*			trans	-74	85.7	176.9	0	0	0	0	0	106.5	V20 N42 P44 Y46	V20-A22 PolarHBondContact O-N 2.72Å; A22-N42 VanDerWaalsContact C-ND2 3.31Å; A22-N42 WeakPolarHBondContact CA-ND2 3.48Å; A22-N42 WeakPolarHBondContact CB-ND2 3.34Å; A22-P44 HydrophobicContact CB-CG 4.34Å; A22-Y46 HydrophobicContact CB-CD1 4.31Å; A22-Y46 HydrophobicContact CB-CE1 3.52Å; A22-Y46 PolarHBondContact O-OH 2.82Å
23	D	72.1	Confident	62.1	Low	106 Å²	106	102.9 Å²	102.9	57%	0.567	58%	0.578	S	S	*	*			trans	-93.6	114.2	-168.2	-68	-24.6	0	0	0	111.2	S21	S21-D23 WeakPolarHBondContact CB-OD1 3.42Å; S21-D23 PolarHBondContact O-N 3.03Å; S21-D23 PolarHBondContact OG-OD1 3.26Å
24	C	85.8	Confident	64.3	Low	19 Å²	19	97.9 Å²	97.9	13%	0.128	55%	0.545	C	S	.	.			trans	-76.8	141.6	171.3	-62	0	0	0	0	111	L26 I38 C39 Y46	C24-L26 HydrophobicContact CB-CD2 4Å; C24-L26 PolarHBondContact O-N 3.3Å; C24-I38 WeakPolarHBondContact CA-O 3.48Å; C24-C39 HydrophobicContact CB-CB 4.11Å; C24-C39 WeakPolarHBondContact CB-SG 3.39Å; C24-C39 WeakPolarHBondContact SG-CB 3.44Å; C24-C39 CovalentContact SG-SG 2.04Å; C24-C39 PolarHBondContact SG-SG 3.32Å; C24-Y46 PolarHBondContact SG-OH 3.22Å
25	W	87.3	Confident	66.6	Low	203 Å²	203	98.9 Å²	98.9	77%	0.769	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	108.6	168.5	-78.7	68.5	0	0	0	109.4	I38	W25-I38 HydrophobicContact CB-CB 4.18Å; W25-I38 PolarHBondContact N-O 3.5Å; W25-I38 PolarHBondContact O-N 2.88Å
26	L	88.6	Confident	69.2	Low	69 Å²	69	95.2 Å²	95.2	36%	0.361	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.3	177.8	-53.7	-175.7	0	0	0	109.6	C24 V34 A37 I53	C24-L26 HydrophobicContact CB-CD2 4Å; C24-L26 PolarHBondContact O-N 3.3Å; L26-V34 HydrophobicContact CB-CG1 3.96Å; L26-V34 HydrophobicContact CB-CG2 4.43Å; L26-V34 HydrophobicContact CD1-CG2 4.36Å; L26-V34 HydrophobicContact CD2-CG1 4.24Å; L26-A37 HydrophobicContact CD2-CB 3.65Å; L26-I53 HydrophobicContact CD2-CG2 4.39Å
27	I	85	Confident	71.9	Confident	88 Å²	88	85.2 Å²	85.2	45%	0.451	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	103.6	172.3	-55.3	-171	0	0	0	108.2	V34 W35 L36	I27-V34 WeakPolarHBondContact O-CA 3.44Å; I27-W35 PolarHBondContact O-N 3.41Å; I27-L36 HydrophobicContact CB-CB 4.34Å; I27-L36 HydrophobicContact CD1-CD2 4.01Å; I27-L36 HydrophobicContact CD1-CG 4.29Å; I27-L36 PolarHBondContact N-O 3.36Å
28	E	86.1	Confident	74.4	Confident	122 Å²	122	82.3 Å²	82.3	57%	0.57	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.5	173.7	-72.2	179	-156.6	0	0	111	Y33 V34	E28-Y33 WeakPolarHBondContact CA-O 3.28Å; E28-V34 HydrophobicContact CG-CB 4.43Å; E28-V34 HydrophobicContact CG-CG2 3.68Å
29	G	75.9	Confident	77.1	Confident	41 Å²	41	79.5 Å²	79.5	42%	0.423	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-176.6	165.8	0	0	0	0	0	112.2	K31 G32 Y33	G29-K31 PolarHBondContact O-N 3.49Å; G29-G32 PolarHBondContact O-N 3Å; G29-G32 VanDerWaalsContact O-N 3.08Å; G29-Y33 PolarHBondContact N-O 2.86Å
30	D	67.9	Low	79.6	Confident	139 Å²	139	76 Å²	76	74%	0.743	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	130.4	-178.7	-60.9	-51.2	0	0	0	112.2
31	K	76.8	Confident	81.8	Confident	201 Å²	201	75.1 Å²	75.1	87%	0.874	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	19.8	-177.9	-44.9	165.9	-173.3	170.2	0	115.8	G29 Y33	G29-K31 PolarHBondContact O-N 3.49Å; K31-Y33 HydrophobicContact CB-CD2 4.15Å; K31-Y33 HydrophobicContact CB-CE2 4.1Å
32	G	71.3	Confident	83.3	Confident	33 Å²	33	72.9 Å²	72.9	34%	0.34	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	21.1	170.5	0	0	0	0	0	114.6	G29 V34	G29-G32 PolarHBondContact O-N 3Å; G29-G32 VanDerWaalsContact O-N 3.08Å; G32-V34 PolarHBondContact O-N 3.04Å
33	Y	80.4	Confident	84.5	Confident	135 Å²	135	79.8 Å²	79.8	53%	0.529	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.8	171.4	-73.3	-97.7	0	0	0	108.9	E28 G29 K31 W35 T56	E28-Y33 WeakPolarHBondContact CA-O 3.28Å; G29-Y33 PolarHBondContact N-O 2.86Å; K31-Y33 HydrophobicContact CB-CD2 4.15Å; K31-Y33 HydrophobicContact CB-CE2 4.1Å; Y33-W35 PolarHBondContact O-N 3.35Å; Y33-T56 HydrophobicContact CD1-CG2 3.75Å; Y33-T56 HydrophobicContact CE1-CG2 4.24Å
34	V	83.3	Confident	85.2	Confident	1 Å²	1	78 Å²	78	1%	0.006	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	118.9	167.5	-170.7	0	0	0	0	107.3	L26 I27 E28 G32 N54 T56 V57	L26-V34 HydrophobicContact CB-CG1 3.96Å; L26-V34 HydrophobicContact CB-CG2 4.43Å; L26-V34 HydrophobicContact CD1-CG2 4.36Å; L26-V34 HydrophobicContact CD2-CG1 4.24Å; I27-V34 WeakPolarHBondContact O-CA 3.44Å; E28-V34 HydrophobicContact CG-CB 4.43Å; E28-V34 HydrophobicContact CG-CG2 3.68Å; G32-V34 PolarHBondContact O-N 3.04Å; V34-N54 HydrophobicContact CB-CB 4.21Å; V34-N54 HydrophobicContact CG2-CB 3.75Å; V34-T56 PolarHBondContact N-OG1 3.12Å; V34-T56 CarbonylContact O-C 3.21Å; V34-T56 VanDerWaalsContact O-O 3.07Å; V34-T56 PolarHBondContact O-OG1 3.38Å; V34-V57 HydrophobicContact CB-CG2 3.93Å; V34-V57 HydrophobicContact CG1-CG2 3.69Å; V34-V57 WeakPolarHBondContact O-CA 3.48Å; V34-V57 PolarHBondContact O-N 2.91Å
35	W	89	Confident	85.4	Confident	140 Å²	140	79.4 Å²	79.4	53%	0.53	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-43.6	177.3	179.3	75.1	0	0	0	111.5	I27 Y33 H58 D59	I27-W35 PolarHBondContact O-N 3.41Å; Y33-W35 PolarHBondContact O-N 3.35Å; W35-H58 AromaticContact CD1-CG 3.57Å; W35-H58 AromaticContact CD1-ND1 3.64Å; W35-H58 HydrophobicContact CG-CB 4.47Å; W35-H58 AromaticContact NE1-CG 3.77Å; W35-H58 PolarHBondContact O-N 3.26Å; W35-D59 PolarHBondContact O-N 2.59Å
36	L	92.4	Very high	85.7	Confident	15 Å²	15	70.9 Å²	70.9	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.8	-179.6	163.7	55	0	0	0	110.2	I27 I38 D59 R61	I27-L36 HydrophobicContact CB-CB 4.34Å; I27-L36 HydrophobicContact CD1-CD2 4.01Å; I27-L36 HydrophobicContact CD1-CG 4.29Å; I27-L36 PolarHBondContact N-O 3.36Å; L36-I38 HydrophobicContact CD1-CD1 4.38Å; L36-I38 HydrophobicContact CD1-CG1 3.67Å; L36-I38 HydrophobicContact CD2-CD1 4.23Å; L36-I38 HydrophobicContact CD2-CG1 4.36Å; L36-I38 HydrophobicContact CG-CD1 4.28Å; L36-I38 HydrophobicContact CG-CG1 3.92Å; L36-D59 WeakPolarHBondContact CA-O 3.17Å; L36-D59 HydrophobicContact CB-CB 4.46Å; L36-D59 HydrophobicContact CD1-CB 3.88Å; L36-R61 HydrophobicContact CD1-CG 4.12Å
37	A	93.3	Very high	85.9	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.5	173.7	0	0	0	0	0	110.9	L26 I53 V57 D59 L60 R61	L26-A37 HydrophobicContact CD2-CB 3.65Å; A37-I53 HydrophobicContact CB-CG2 3.83Å; A37-V57 HydrophobicContact CB-CG1 4.05Å; A37-V57 HydrophobicContact CB-CG2 3.96Å; A37-D59 PolarHBondContact N-O 3.01Å; A37-L60 HydrophobicContact CB-CD1 3.94Å; A37-R61 PolarHBondContact O-N 3.35Å
38	I	93.1	Very high	86.2	Confident	59 Å²	59	72.9 Å²	72.9	30%	0.303	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	101.4	179.2	-53.3	174.6	0	0	0	109.1	C24 W25 L36	C24-I38 WeakPolarHBondContact CA-O 3.48Å; W25-I38 HydrophobicContact CB-CB 4.18Å; W25-I38 PolarHBondContact N-O 3.5Å; W25-I38 PolarHBondContact O-N 2.88Å; L36-I38 HydrophobicContact CD1-CD1 4.38Å; L36-I38 HydrophobicContact CD1-CG1 3.67Å; L36-I38 HydrophobicContact CD2-CD1 4.23Å; L36-I38 HydrophobicContact CD2-CG1 4.36Å; L36-I38 HydrophobicContact CG-CD1 4.28Å; L36-I38 HydrophobicContact CG-CG1 3.92Å
39	C	93.1	Very high	86.5	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.014	35%	0.348	C	S	.	.			trans	-108.7	17.4	178.9	-64.2	0	0	0	0	112.2	C24 Y46 I53 R61 L62 N65	C24-C39 HydrophobicContact CB-CB 4.11Å; C24-C39 WeakPolarHBondContact CB-SG 3.39Å; C24-C39 WeakPolarHBondContact SG-CB 3.44Å; C24-C39 CovalentContact SG-SG 2.04Å; C24-C39 PolarHBondContact SG-SG 3.32Å; C39-Y46 HydrophobicContact CB-CD2 4.35Å; C39-Y46 HydrophobicContact CB-CE2 3.88Å; C39-I53 WeakPolarHBondContact SG-CD1 3.14Å; C39-R61 CarbonylContact C-O 3.16Å; C39-R61 VanDerWaalsContact CA-O 3.29Å; C39-R61 WeakPolarHBondContact CA-O 3.41Å; C39-R61 WeakPolarHBondContact CB-O 3.45Å; C39-R61 PolarHBondContact N-O 3.13Å; C39-L62 HydrophobicContact CB-CD2 3.42Å; C39-L62 VanDerWaalsContact CB-CD2 3.42Å; C39-L62 HydrophobicContact CB-CG 4.04Å; C39-N65 PolarHBondContact O-ND2 2.85Å
40	S	91.9	Very high	87.1	Confident	31 Å²	31	65.9 Å²	65.9	22%	0.217	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	148.3	-172.5	-43.6	0	0	0	0	113.4	N42 R61 N63	S40-N42 VanDerWaalsContact C-N 3.26Å; S40-N42 PolarHBondContact O-N 3.48Å; S40-R61 PolarHBondContact N-O 3.49Å; S40-N63 VanDerWaalsContact CA-O 3.22Å; S40-N63 WeakPolarHBondContact CA-O 3.41Å; S40-N63 WeakPolarHBondContact CB-OD1 3.49Å; S40-N63 PolarHBondContact OG-OD1 3.35Å
41	Q	89.1	Confident	87.9	Confident	83 Å²	83	67.6 Å²	67.6	39%	0.388	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	33.2	173.2	-59.8	177	-25.6	0	0	114.5	N63 E64 R793	Q41-N63 PolarHBondContact N-O 2.57Å; Q41-N63 VanDerWaalsContact N-O 3.1Å; Q41-E64 WeakPolarHBondContact CA-O 3.46Å; Q41-E64 HydrophobicContact CG-CB 3.75Å; Q41-E64 HydrophobicContact CG-CG 4.47Å; Q41-E64 VanDerWaalsContact CG-OE2 3.29Å; Q41-E64 WeakPolarHBondContact CG-OE2 3.09Å; Q41-E64 PolarHBondContact N-O 3.38Å; Q41-E64 PolarHBondContact NE2-OE2 2.99Å; Q41-R793 VanDerWaalsContact OE1-NH1 3.14Å
42	N	87.7	Confident	88.2	Confident	27 Å²	27	63.5 Å²	63.5	14%	0.144	32%	0.318	C	S	.	.			trans	-72.3	156.4	-167.5	-150.2	-10.3	0	0	0	113.1	A22 S40 P44 P45 Y46 N65	A22-N42 VanDerWaalsContact C-ND2 3.31Å; A22-N42 WeakPolarHBondContact CA-ND2 3.48Å; A22-N42 WeakPolarHBondContact CB-ND2 3.34Å; S40-N42 VanDerWaalsContact C-N 3.26Å; S40-N42 PolarHBondContact O-N 3.48Å; N42-P44 CarbonylContact C-O 3.1Å; N42-P44 CarbonylContact O-C 3.58Å; N42-P45 WeakPolarHBondContact O-CA 3.48Å; N42-P45 VanDerWaalsContact O-N 3.12Å; N42-Y46 HydrophobicContact CB-CD2 4.12Å; N42-Y46 HydrophobicContact CB-CE2 4.15Å; N42-Y46 WeakPolarHBondContact ND2-CE2 3.34Å; N42-Y46 VanDerWaalsContact ND2-CZ 3.31Å; N42-N65 WeakPolarHBondContact CB-OD1 3.39Å
43	Q	84.7	Confident	88.9	Confident	161 Å²	161	62.1 Å²	62.1	75%	0.752	30%	0.303	S	S	*	.	S	Bend	trans	-142	97.5	-176.5	-165.5	162.9	68.1	0	0	110.4	V20	V20-Q43 VanDerWaalsContact CG1-O 3.25Å; V20-Q43 WeakPolarHBondContact CG1-O 3.25Å
44	P	87.2	Confident	89.1	Confident	68 Å²	68	58.4 Å²	58.4	44%	0.442	29%	0.292	S	S	.	.	S	Bend	cis	-68.8	146	8.6	29.3	-35.5	0	0	0	113.5	V20 A22 N42	V20-P44 VanDerWaalsContact O-CD 3.29Å; V20-P44 WeakPolarHBondContact O-CD 3.36Å; A22-P44 HydrophobicContact CB-CG 4.34Å; N42-P44 CarbonylContact C-O 3.1Å; N42-P44 CarbonylContact O-C 3.58Å
45	P	90.6	Very high	89.3	Confident	50 Å²	50	61.2 Å²	61.2	33%	0.325	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-71.6	144.9	178	30.5	-35.4	0	0	0	110.7	N42 K66	N42-P45 WeakPolarHBondContact O-CA 3.48Å; N42-P45 VanDerWaalsContact O-N 3.12Å; P45-K66 HydrophobicContact CB-CG 4.09Å; P45-K66 HydrophobicContact CG-CD 3.93Å; P45-K66 HydrophobicContact CG-CG 4.03Å
46	Y	92.4	Very high	89.3	Confident	23 Å²	23	55.7 Å²	55.7	9%	0.09	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-72.2	131.8	180	-69.4	-59	0	0	0	112.7	A22 C24 C39 N42 P50 H52 L62 N65 K66 L67	A22-Y46 HydrophobicContact CB-CD1 4.31Å; A22-Y46 HydrophobicContact CB-CE1 3.52Å; A22-Y46 PolarHBondContact O-OH 2.82Å; C24-Y46 PolarHBondContact SG-OH 3.22Å; C39-Y46 HydrophobicContact CB-CD2 4.35Å; C39-Y46 HydrophobicContact CB-CE2 3.88Å; N42-Y46 HydrophobicContact CB-CD2 4.12Å; N42-Y46 HydrophobicContact CB-CE2 4.15Å; N42-Y46 WeakPolarHBondContact ND2-CE2 3.34Å; N42-Y46 VanDerWaalsContact ND2-CZ 3.31Å; Y46-P50 HydrophobicContact CD1-CB 4.4Å; Y46-P50 HydrophobicContact CD1-CG 3.68Å; Y46-P50 HydrophobicContact CD2-CG 3.74Å; Y46-P50 HydrophobicContact CE1-CB 3.82Å; Y46-P50 HydrophobicContact CE1-CG 3.39Å; Y46-P50 HydrophobicContact CE2-CB 4.49Å; Y46-P50 HydrophobicContact CE2-CG 3.43Å; Y46-P50 VanDerWaalsContact CE2-CG 3.43Å; Y46-P50 HydrophobicContact CG-CG 3.82Å; Y46-H52 PolarHBondContact OH-CE1 2.73Å; Y46-H52 PolarHBondContact OH-NE2 2.64Å; Y46-L62 HydrophobicContact CD2-CD2 3.98Å; Y46-L62 HydrophobicContact CE2-CD2 4.42Å; Y46-N65 PolarHBondContact N-OD1 2.86Å; Y46-K66 CarbonylContact O-C 3.46Å; Y46-K66 VanDerWaalsContact O-CA 3.31Å; Y46-K66 WeakPolarHBondContact O-CA 3.44Å; Y46-K66 PolarHBondContact O-N 3.35Å; Y46-L67 PolarHBondContact O-N 3.23Å; Y46-L67 VanDerWaalsContact O-N 3.14Å
47	E	92.8	Very high	89.3	Confident	102 Å²	102	55 Å²	55	48%	0.477	29%	0.29	S	S	.	.	S	Bend	trans	-95.9	-20.1	170.1	-60.1	-156.6	164.2	0	0	113.5	K66 K68	E47-K66 WeakPolarHBondContact CA-O 3.41Å; E47-K66 HydrophobicContact CG-CB 4.39Å; E47-K68 PolarHBondContact O-N 3.31Å; E47-K68 IonicContact OE1-NZ 2.67Å; E47-K68 PolarHBondContact OE1-NZ 2.8Å; E47-K68 VanDerWaalsContact OE1-NZ 3.16Å; E47-K68 IonicContact OE2-NZ 3.43Å; E47-K68 PolarHBondContact OE2-NZ 2.95Å
48	T	92	Very high	89.4	Confident	98 Å²	98	57.4 Å²	57.4	60%	0.601	30%	0.301	S	S	*	.	S	Bend	trans	-135.7	158.5	174.1	54.4	0	0	0	0	110.1	L67	T48-L67 WeakPolarHBondContact O-CD2 3.25Å
49	I	92.3	Very high	89.5	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.031	29%	0.29	C	S	.	.			trans	-64.6	128.5	179.7	-59.6	-178.8	0	0	0	108.9	Q51 L62 L67 L75 F78	I49-Q51 PolarHBondContact O-N 2.84Å; I49-L62 HydrophobicContact CG1-CD1 4.22Å; I49-L62 HydrophobicContact CG2-CD1 3.96Å; I49-L67 HydrophobicContact CG1-CD1 4.32Å; I49-L67 HydrophobicContact CG1-CD2 4.48Å; I49-L75 HydrophobicContact CD1-CD2 3.57Å; I49-L75 HydrophobicContact CD1-CG 3.9Å; I49-F78 HydrophobicContact CG2-CE2 4.1Å
50	P	88.2	Confident	89.6	Confident	9 Å²	9	55.1 Å²	55.1	6%	0.058	29%	0.289	C	S	.	.			trans	-70.8	132.4	-169	-15.2	29.8	0	0	0	111.2	Y46 H52 I53 L62 R77	Y46-P50 HydrophobicContact CD1-CB 4.4Å; Y46-P50 HydrophobicContact CD1-CG 3.68Å; Y46-P50 HydrophobicContact CD2-CG 3.74Å; Y46-P50 HydrophobicContact CE1-CB 3.82Å; Y46-P50 HydrophobicContact CE1-CG 3.39Å; Y46-P50 HydrophobicContact CE2-CB 4.49Å; Y46-P50 HydrophobicContact CE2-CG 3.43Å; Y46-P50 VanDerWaalsContact CE2-CG 3.43Å; Y46-P50 HydrophobicContact CG-CG 3.82Å; P50-H52 PolarHBondContact O-N 2.65Å; P50-I53 HydrophobicContact CB-CD1 4.02Å; P50-I53 HydrophobicContact CB-CG1 4.16Å; P50-I53 HydrophobicContact CG-CD1 3.9Å; P50-L62 HydrophobicContact CG-CD2 4.19Å; P50-R77 PolarHBondContact O-NH2 3.26Å
51	Q	85.7	Confident	89.8	Confident	175 Å²	175	58.1 Å²	58.1	82%	0.818	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.3	-177.5	-70	-177.9	-14.4	0	0	113.9	I49 I53 R77	I49-Q51 PolarHBondContact O-N 2.84Å; Q51-I53 VanDerWaalsContact C-N 3.26Å; Q51-I53 PolarHBondContact O-N 3.45Å; Q51-R77 PolarHBondContact O-NH2 3.49Å; Q51-R77 VanDerWaalsContact O-NH2 3.17Å
52	H	82.4	Confident	90.2	Very high	116 Å²	116	54.2 Å²	54.2	54%	0.537	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.7	-175.7	61.8	-119.5	0	0	0	114.6	Y46 P50	Y46-H52 PolarHBondContact OH-CE1 2.73Å; Y46-H52 PolarHBondContact OH-NE2 2.64Å; P50-H52 PolarHBondContact O-N 2.65Å
53	I	85.9	Confident	90.6	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.277	C	S	.	.	S	Bend	trans	-73.2	132.2	-178.8	-50.2	169.1	0	0	0	109.4	L26 A37 C39 P50 Q51 V57 L60 R77 F78	L26-I53 HydrophobicContact CD2-CG2 4.39Å; A37-I53 HydrophobicContact CB-CG2 3.83Å; C39-I53 WeakPolarHBondContact SG-CD1 3.14Å; P50-I53 HydrophobicContact CB-CD1 4.02Å; P50-I53 HydrophobicContact CB-CG1 4.16Å; P50-I53 HydrophobicContact CG-CD1 3.9Å; Q51-I53 VanDerWaalsContact C-N 3.26Å; Q51-I53 PolarHBondContact O-N 3.45Å; I53-V57 HydrophobicContact CG2-CG2 3.78Å; I53-L60 HydrophobicContact CD1-CD1 3.8Å; I53-R77 PolarHBondContact O-NE 2.78Å; I53-R77 PolarHBondContact O-NH2 3.4Å; I53-F78 HydrophobicContact CB-CE1 4.17Å; I53-F78 HydrophobicContact CB-CZ 4.18Å; I53-F78 HydrophobicContact CG2-CE1 3.98Å; I53-F78 HydrophobicContact CG2-CZ 4.34Å
54	N	84.3	Confident	91.1	Very high	57 Å²	57	49.2 Å²	49.2	31%	0.305	25%	0.254	S	S	.	.			trans	-58.3	146.1	-179.8	-166.1	-11.7	0	0	0	112.2	V34 T56 V57 F78	V34-N54 HydrophobicContact CB-CB 4.21Å; V34-N54 HydrophobicContact CG2-CB 3.75Å; N54-T56 PolarHBondContact ND2-OG1 2.9Å; N54-T56 PolarHBondContact O-N 3.43Å; N54-T56 PolarHBondContact OD1-N 2.8Å; N54-V57 WeakPolarHBondContact O-CG2 3.21Å; N54-F78 WeakPolarHBondContact O-CE1 3.31Å
55	S	87.3	Confident	91.5	Very high	59 Å²	59	46.5 Å²	46.5	41%	0.413	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.7	178.1	44.9	0	0	0	0	114.1	V57 R77	S55-V57 PolarHBondContact O-N 3.22Å; S55-R77 WeakPolarHBondContact CB-O 3.06Å
56	T	89.9	Confident	91.8	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.147	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.9	-178.9	63.2	0	0	0	0	115	Y33 V34 N54 H58	Y33-T56 HydrophobicContact CD1-CG2 3.75Å; Y33-T56 HydrophobicContact CE1-CG2 4.24Å; V34-T56 PolarHBondContact N-OG1 3.12Å; V34-T56 CarbonylContact O-C 3.21Å; V34-T56 VanDerWaalsContact O-O 3.07Å; V34-T56 PolarHBondContact O-OG1 3.38Å; N54-T56 PolarHBondContact ND2-OG1 2.9Å; N54-T56 PolarHBondContact O-N 3.43Å; N54-T56 PolarHBondContact OD1-N 2.8Å; T56-H58 PolarHBondContact O-CE1 3.18Å; T56-H58 VanDerWaalsContact O-CE1 3.23Å; T56-H58 PolarHBondContact O-ND1 3.4Å
57	V	92.4	Very high	92	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.			trans	-63.6	135.4	-172.4	174.5	0	0	0	0	111.9	V34 A37 I53 N54 S55 D59 L60 F78 L81	V34-V57 HydrophobicContact CB-CG2 3.93Å; V34-V57 HydrophobicContact CG1-CG2 3.69Å; V34-V57 WeakPolarHBondContact O-CA 3.48Å; V34-V57 PolarHBondContact O-N 2.91Å; A37-V57 HydrophobicContact CB-CG1 4.05Å; A37-V57 HydrophobicContact CB-CG2 3.96Å; I53-V57 HydrophobicContact CG2-CG2 3.78Å; N54-V57 WeakPolarHBondContact O-CG2 3.21Å; S55-V57 PolarHBondContact O-N 3.22Å; V57-D59 WeakPolarHBondContact CG1-O 3.33Å; V57-L60 HydrophobicContact CG1-CB 4.01Å; V57-F78 HydrophobicContact CB-CD1 4.4Å; V57-L81 HydrophobicContact CG1-CD1 4.08Å
58	H	93.9	Very high	92.2	Very high	52 Å²	52	47 Å²	47	24%	0.241	23%	0.232	C	C	.	.	S	Bend	trans	-103.3	-41.1	175.7	-64.1	60.4	0	0	0	111.1	W35 T56 N80 L81 T82 D83	W35-H58 AromaticContact CD1-CG 3.57Å; W35-H58 AromaticContact CD1-ND1 3.64Å; W35-H58 HydrophobicContact CG-CB 4.47Å; W35-H58 AromaticContact NE1-CG 3.77Å; W35-H58 PolarHBondContact O-N 3.26Å; T56-H58 PolarHBondContact O-CE1 3.18Å; T56-H58 VanDerWaalsContact O-CE1 3.23Å; T56-H58 PolarHBondContact O-ND1 3.4Å; H58-N80 PolarHBondContact CD2-O 3.47Å; H58-L81 WeakPolarHBondContact O-CD1 3.27Å; H58-T82 PolarHBondContact O-N 3.25Å; H58-T82 PolarHBondContact O-OG1 2.94Å; H58-D83 PolarHBondContact O-N 3.36Å
59	D	95.6	Very high	92.4	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.064	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.8	174.5	179.9	-13.5	0	0	0	110.9	W35 L36 A37 V57 R61 D83	W35-D59 PolarHBondContact O-N 2.59Å; L36-D59 WeakPolarHBondContact CA-O 3.17Å; L36-D59 HydrophobicContact CB-CB 4.46Å; L36-D59 HydrophobicContact CD1-CB 3.88Å; A37-D59 PolarHBondContact N-O 3.01Å; V57-D59 WeakPolarHBondContact CG1-O 3.33Å; D59-R61 WeakPolarHBondContact OD1-CG 3.46Å; D59-R61 IonicContact OD1-NE 2.63Å; D59-R61 PolarHBondContact OD1-NE 3.4Å; D59-R61 IonicContact OD2-CZ 2.93Å; D59-R61 IonicContact OD2-NE 3.05Å; D59-R61 PolarHBondContact OD2-NE 3.14Å; D59-R61 IonicContact OD2-NH2 3.18Å; D59-R61 PolarHBondContact OD2-NH2 2.72Å; D59-D83 WeakPolarHBondContact CA-O 3.26Å; D59-D83 HydrophobicContact CB-CB 4.07Å
60	L	95.9	Very high	92.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111.5	-179.6	178.2	57.2	0	0	0	111.1	A37 I53 V57 L62 F78 L81 D83 L84 N85	A37-L60 HydrophobicContact CB-CD1 3.94Å; I53-L60 HydrophobicContact CD1-CD1 3.8Å; V57-L60 HydrophobicContact CG1-CB 4.01Å; L60-L62 HydrophobicContact CD1-CD1 3.98Å; L60-L62 HydrophobicContact CD1-CG 4.12Å; L60-L62 HydrophobicContact CD2-CD1 3.82Å; L60-L62 HydrophobicContact CG-CD1 3.78Å; L60-L62 HydrophobicContact CG-CG 4.23Å; L60-F78 HydrophobicContact CD2-CD2 4.19Å; L60-F78 HydrophobicContact CD2-CE1 4.33Å; L60-F78 HydrophobicContact CD2-CE2 3.67Å; L60-F78 HydrophobicContact CD2-CZ 3.73Å; L60-L81 HydrophobicContact CB-CD1 3.65Å; L60-D83 PolarHBondContact N-O 3.27Å; L60-L84 HydrophobicContact CB-CD1 4.19Å; L60-L84 HydrophobicContact CD2-CD1 4.11Å; L60-L84 HydrophobicContact CG-CD1 4.14Å; L60-N85 PolarHBondContact O-N 3.08Å
61	R	96.4	Very high	92.9	Very high	95 Å²	95	45.9 Å²	45.9	36%	0.358	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105.5	-177.2	-49.9	-171.8	-175.9	178.5	0.5	111	L36 A37 C39 S40 D59 N85	L36-R61 HydrophobicContact CD1-CG 4.12Å; A37-R61 PolarHBondContact O-N 3.35Å; C39-R61 CarbonylContact C-O 3.16Å; C39-R61 VanDerWaalsContact CA-O 3.29Å; C39-R61 WeakPolarHBondContact CA-O 3.41Å; C39-R61 WeakPolarHBondContact CB-O 3.45Å; C39-R61 PolarHBondContact N-O 3.13Å; S40-R61 PolarHBondContact N-O 3.49Å; D59-R61 WeakPolarHBondContact OD1-CG 3.46Å; D59-R61 IonicContact OD1-NE 2.63Å; D59-R61 PolarHBondContact OD1-NE 3.4Å; D59-R61 IonicContact OD2-CZ 2.93Å; D59-R61 IonicContact OD2-NE 3.05Å; D59-R61 PolarHBondContact OD2-NE 3.14Å; D59-R61 IonicContact OD2-NH2 3.18Å; D59-R61 PolarHBondContact OD2-NH2 2.72Å; R61-N85 HydrophobicContact CG-CB 4.46Å
62	L	96	Very high	93.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.			trans	-117.4	16.4	-178.3	-80.7	161.1	0	0	0	112.4	C39 Y46 I49 P50 L60 N65 L67 N85 L86 N89	C39-L62 HydrophobicContact CB-CD2 3.42Å; C39-L62 VanDerWaalsContact CB-CD2 3.42Å; C39-L62 HydrophobicContact CB-CG 4.04Å; Y46-L62 HydrophobicContact CD2-CD2 3.98Å; Y46-L62 HydrophobicContact CE2-CD2 4.42Å; I49-L62 HydrophobicContact CG1-CD1 4.22Å; I49-L62 HydrophobicContact CG2-CD1 3.96Å; P50-L62 HydrophobicContact CG-CD2 4.19Å; L60-L62 HydrophobicContact CD1-CD1 3.98Å; L60-L62 HydrophobicContact CD1-CG 4.12Å; L60-L62 HydrophobicContact CD2-CD1 3.82Å; L60-L62 HydrophobicContact CG-CD1 3.78Å; L60-L62 HydrophobicContact CG-CG 4.23Å; L62-N65 PolarHBondContact O-ND2 3.22Å; L62-L67 HydrophobicContact CB-CD1 3.95Å; L62-L67 HydrophobicContact CD1-CD1 4.34Å; L62-N85 CarbonylContact C-O 3.17Å; L62-N85 WeakPolarHBondContact CA-O 3.44Å; L62-N85 PolarHBondContact N-O 3.23Å; L62-L86 HydrophobicContact CB-CD2 3.96Å; L62-L86 HydrophobicContact CD1-CD2 4.22Å; L62-N89 PolarHBondContact O-ND2 2.95Å
63	N	96.8	Very high	93.9	Very high	26 Å²	26	40.6 Å²	40.6	14%	0.139	21%	0.206	C	C	.	.			trans	-64.1	151.7	-179.3	64.5	-73	0	0	0	113.5	S40 Q41 N65 N85 T87	S40-N63 VanDerWaalsContact CA-O 3.22Å; S40-N63 WeakPolarHBondContact CA-O 3.41Å; S40-N63 WeakPolarHBondContact CB-OD1 3.49Å; S40-N63 PolarHBondContact OG-OD1 3.35Å; Q41-N63 PolarHBondContact N-O 2.57Å; Q41-N63 VanDerWaalsContact N-O 3.1Å; N63-N65 PolarHBondContact O-ND2 3.31Å; N63-N85 PolarHBondContact N-O 3.27Å; N63-T87 CarbonylContact C-O 3.43Å; N63-T87 WeakPolarHBondContact CA-O 3.49Å; N63-T87 WeakPolarHBondContact CB-O 3.27Å
64	E	95.8	Very high	94.2	Very high	57 Å²	57	41.5 Å²	41.5	27%	0.266	21%	0.213	S	C	.	.	S	Bend	trans	59.9	44.5	-179.7	-61.1	179.2	-159.8	0	0	113.1	Q41 T87 K88	Q41-E64 WeakPolarHBondContact CA-O 3.46Å; Q41-E64 HydrophobicContact CG-CB 3.75Å; Q41-E64 HydrophobicContact CG-CG 4.47Å; Q41-E64 VanDerWaalsContact CG-OE2 3.29Å; Q41-E64 WeakPolarHBondContact CG-OE2 3.09Å; Q41-E64 PolarHBondContact N-O 3.38Å; Q41-E64 PolarHBondContact NE2-OE2 2.99Å; E64-T87 PolarHBondContact N-O 3.07Å; E64-K88 WeakPolarHBondContact CA-O 3.44Å; E64-K88 HydrophobicContact CG-CB 3.76Å; E64-K88 HydrophobicContact CG-CD 3.48Å; E64-K88 VanDerWaalsContact CG-CD 3.48Å; E64-K88 HydrophobicContact CG-CG 4.31Å; E64-K88 PolarHBondContact N-O 3.38Å; E64-K88 WeakPolarHBondContact OE1-CD 3.37Å; E64-K88 WeakPolarHBondContact OE1-CE 3.22Å; E64-K88 IonicContact OE1-NZ 3.08Å; E64-K88 PolarHBondContact OE1-NZ 3.01Å
65	N	95.6	Very high	94.6	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.059	20%	0.198	C	C	.	.	S	Bend	trans	-116.5	-156.9	169.7	-77.6	-78.7	0	0	0	110	C39 N42 Y46 L62 N63 L67 N89	C39-N65 PolarHBondContact O-ND2 2.85Å; N42-N65 WeakPolarHBondContact CB-OD1 3.39Å; Y46-N65 PolarHBondContact N-OD1 2.86Å; L62-N65 PolarHBondContact O-ND2 3.22Å; N63-N65 PolarHBondContact O-ND2 3.31Å; N65-L67 HydrophobicContact CB-CG 4.45Å; N65-N89 VanDerWaalsContact CA-OD1 3.31Å; N65-N89 WeakPolarHBondContact CA-OD1 3.44Å; N65-N89 WeakPolarHBondContact CB-OD1 3.43Å; N65-N89 PolarHBondContact N-OD1 3.03Å; N65-N89 PolarHBondContact O-OD1 2.04Å
66	K	96.3	Very high	94.8	Very high	92 Å²	92	39 Å²	39	40%	0.4	20%	0.195	S	C	.	.			trans	-126.5	33.4	178.5	-66.7	-168.7	176	-169.3	0	112.6	P45 Y46 E47 K68 N89	P45-K66 HydrophobicContact CB-CG 4.09Å; P45-K66 HydrophobicContact CG-CD 3.93Å; P45-K66 HydrophobicContact CG-CG 4.03Å; Y46-K66 CarbonylContact O-C 3.46Å; Y46-K66 VanDerWaalsContact O-CA 3.31Å; Y46-K66 WeakPolarHBondContact O-CA 3.44Å; Y46-K66 PolarHBondContact O-N 3.35Å; E47-K66 WeakPolarHBondContact CA-O 3.41Å; E47-K66 HydrophobicContact CG-CB 4.39Å; K66-K68 PolarHBondContact O-N 3.49Å; K66-N89 PolarHBondContact N-OD1 2.65Å
67	L	96.8	Very high	94.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.199	C	C	.	.			trans	-59.9	128.2	178	-59.8	178.9	0	0	0	109.5	Y46 T48 I49 L62 N65 L86 N89 E90 I91	Y46-L67 PolarHBondContact O-N 3.23Å; Y46-L67 VanDerWaalsContact O-N 3.14Å; T48-L67 WeakPolarHBondContact O-CD2 3.25Å; I49-L67 HydrophobicContact CG1-CD1 4.32Å; I49-L67 HydrophobicContact CG1-CD2 4.48Å; L62-L67 HydrophobicContact CB-CD1 3.95Å; L62-L67 HydrophobicContact CD1-CD1 4.34Å; N65-L67 HydrophobicContact CB-CG 4.45Å; L67-L86 HydrophobicContact CD1-CD2 3.44Å; L67-L86 VanDerWaalsContact CD1-CD2 3.44Å; L67-N89 HydrophobicContact CB-CB 4.11Å; L67-N89 WeakPolarHBondContact CB-OD1 3.32Å; L67-N89 WeakPolarHBondContact CG-OD1 3.44Å; L67-N89 PolarHBondContact N-OD1 3.08Å; L67-E90 CarbonylContact O-C 3.58Å; L67-E90 VanDerWaalsContact O-CA 3.31Å; L67-E90 WeakPolarHBondContact O-CA 3.36Å; L67-E90 PolarHBondContact O-N 3.11Å; L67-I91 HydrophobicContact CB-CD1 4.27Å; L67-I91 HydrophobicContact CB-CG1 3.97Å; L67-I91 VanDerWaalsContact O-CG1 3.26Å; L67-I91 WeakPolarHBondContact O-CG1 3.23Å; L67-I91 PolarHBondContact O-N 3Å
68	K	96.3	Very high	94.9	Very high	92 Å²	92	40.9 Å²	40.9	40%	0.4	20%	0.199	S	C	.	.			trans	-101.9	-28	-175.5	-68.9	162.5	-171.6	168.1	0	113.5	E47 K66 I91 S92	E47-K68 PolarHBondContact O-N 3.31Å; E47-K68 IonicContact OE1-NZ 2.67Å; E47-K68 PolarHBondContact OE1-NZ 2.8Å; E47-K68 VanDerWaalsContact OE1-NZ 3.16Å; E47-K68 IonicContact OE2-NZ 3.43Å; E47-K68 PolarHBondContact OE2-NZ 2.95Å; K66-K68 PolarHBondContact O-N 3.49Å; K68-I91 WeakPolarHBondContact O-CA 3.31Å; K68-S92 PolarHBondContact O-N 3.31Å
69	A	96.6	Very high	94.8	Very high	33 Å²	33	39.8 Å²	39.8	27%	0.273	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.6	-179.7	0	0	0	0	0	111.2	L71 Y93	A69-L71 HydrophobicContact CB-CD2 4.36Å; A69-Y93 VanDerWaalsContact CA-O 3.26Å; A69-Y93 WeakPolarHBondContact CA-O 3.1Å; A69-Y93 HydrophobicContact CB-CD1 4.19Å
70	V	96.4	Very high	94.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.1	167.9	-174.6	0	0	0	0	108.2	L75 L86 I91 Y93 I94 E95 A98 F99	V70-L75 HydrophobicContact CG1-CD1 3.4Å; V70-L75 HydrophobicContact CG1-CG 4.09Å; V70-L86 HydrophobicContact CG2-CD1 3.93Å; V70-I91 HydrophobicContact CG2-CD1 3.96Å; V70-I91 HydrophobicContact CG2-CG2 4.11Å; V70-Y93 PolarHBondContact N-O 3.06Å; V70-I94 HydrophobicContact CB-CG1 4.16Å; V70-I94 HydrophobicContact CB-CG2 4.25Å; V70-I94 HydrophobicContact CG2-CG1 4.26Å; V70-E95 PolarHBondContact O-N 3.3Å; V70-A98 HydrophobicContact CG1-CB 4.19Å; V70-F99 HydrophobicContact CG1-CE1 4.18Å; V70-F99 HydrophobicContact CG1-CZ 4.18Å
71	L	95.7	Very high	94.6	Very high	56 Å²	56	43.2 Å²	43.2	29%	0.293	22%	0.22	S	C	.	.			trans	-121.7	145.3	-175.6	-56.1	178.8	0	0	0	110.5	A69 S73 S74 L75 Y93 E95	A69-L71 HydrophobicContact CB-CD2 4.36Å; L71-S73 VanDerWaalsContact C-N 3.27Å; L71-S73 PolarHBondContact O-N 2.97Å; L71-S74 WeakPolarHBondContact O-CB 3.43Å; L71-S74 PolarHBondContact O-N 2.82Å; L71-L75 PolarHBondContact O-N 3.11Å; L71-Y93 HydrophobicContact CD2-CE1 4.33Å; L71-E95 VanDerWaalsContact CA-OE2 3.25Å; L71-E95 WeakPolarHBondContact CA-OE2 3.46Å; L71-E95 WeakPolarHBondContact CB-OE2 3.47Å; L71-E95 HydrophobicContact CD2-CB 4.01Å
72	Y	94.7	Very high	94.7	Very high	104 Å²	104	39.9 Å²	39.9	41%	0.408	21%	0.211	S	C	.	.	H	α-helix	trans	-54.2	-45.7	174.4	173	-104	0	0	0	111.3	S74 L75 N76 E95 G97 L100	Y72-S74 PolarHBondContact O-N 3.22Å; Y72-L75 PolarHBondContact O-N 3.01Å; Y72-N76 HydrophobicContact CD1-CB 4.4Å; Y72-N76 HydrophobicContact CD2-CB 4.05Å; Y72-N76 HydrophobicContact CE1-CB 4.02Å; Y72-N76 HydrophobicContact CE2-CB 3.64Å; Y72-N76 HydrophobicContact CG-CB 4.41Å; Y72-N76 WeakPolarHBondContact O-CB 3.35Å; Y72-N76 VanDerWaalsContact O-CG 3.29Å; Y72-N76 PolarHBondContact O-N 2.94Å; Y72-E95 PolarHBondContact N-OE2 3.2Å; Y72-G97 WeakPolarHBondContact CD2-O 3.47Å; Y72-L100 HydrophobicContact CD2-CB 4.35Å; Y72-L100 HydrophobicContact CE2-CB 4.11Å
73	S	92.7	Very high	94.7	Very high	77 Å²	77	42.3 Å²	42.3	54%	0.538	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-17.4	176.6	59.4	0	0	0	0	114.8	L71	L71-S73 VanDerWaalsContact C-N 3.27Å; L71-S73 PolarHBondContact O-N 2.97Å
74	S	92	Very high	94.8	Very high	22 Å²	22	41.1 Å²	41.1	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-95.8	-30.7	179.3	-64	0	0	0	0	113.1	L71 Y72 R77	L71-S74 WeakPolarHBondContact O-CB 3.43Å; L71-S74 PolarHBondContact O-N 2.82Å; Y72-S74 PolarHBondContact O-N 3.22Å; S74-R77 PolarHBondContact O-NH1 3.1Å
75	L	92.8	Very high	94.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-102.3	-30	-176.5	-74.6	-177.7	0	0	0	114.8	I49 V70 L71 Y72 R77 F78 L84 F99 Q102	I49-L75 HydrophobicContact CD1-CD2 3.57Å; I49-L75 HydrophobicContact CD1-CG 3.9Å; V70-L75 HydrophobicContact CG1-CD1 3.4Å; V70-L75 HydrophobicContact CG1-CG 4.09Å; L71-L75 PolarHBondContact O-N 3.11Å; Y72-L75 PolarHBondContact O-N 3.01Å; L75-R77 PolarHBondContact O-N 2.81Å; L75-F78 HydrophobicContact CD2-CD2 3.96Å; L75-F78 HydrophobicContact CD2-CE2 4.23Å; L75-F78 WeakPolarHBondContact O-CD2 3.03Å; L75-F78 PolarHBondContact O-N 2.9Å; L75-L84 HydrophobicContact CD1-CD2 4.13Å; L75-L84 HydrophobicContact CD2-CD2 4.14Å; L75-F99 HydrophobicContact CD1-CD1 3.51Å; L75-F99 HydrophobicContact CD1-CE1 3.43Å; L75-F99 VanDerWaalsContact CD1-CE1 3.43Å; L75-F99 HydrophobicContact CD1-CZ 4.48Å; L75-Q102 PolarHBondContact O-NE2 3.07Å
76	N	92.6	Very high	95	Very high	63 Å²	63	39.2 Å²	39.2	34%	0.337	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-30.3	-168	61.8	3.2	0	0	0	116	Y72 F78	Y72-N76 HydrophobicContact CD1-CB 4.4Å; Y72-N76 HydrophobicContact CD2-CB 4.05Å; Y72-N76 HydrophobicContact CE1-CB 4.02Å; Y72-N76 HydrophobicContact CE2-CB 3.64Å; Y72-N76 HydrophobicContact CG-CB 4.41Å; Y72-N76 WeakPolarHBondContact O-CB 3.35Å; Y72-N76 VanDerWaalsContact O-CG 3.29Å; Y72-N76 PolarHBondContact O-N 2.94Å; N76-F78 PolarHBondContact O-N 2.87Å
77	R	92.1	Very high	95.1	Very high	64 Å²	64	36 Å²	36	24%	0.242	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.7	178	74.1	-169.2	-153.3	-96.1	9.2	115.4	P50 Q51 I53 S55 S74 L75 G79	P50-R77 PolarHBondContact O-NH2 3.26Å; Q51-R77 PolarHBondContact O-NH2 3.49Å; Q51-R77 VanDerWaalsContact O-NH2 3.17Å; I53-R77 PolarHBondContact O-NE 2.78Å; I53-R77 PolarHBondContact O-NH2 3.4Å; S55-R77 WeakPolarHBondContact CB-O 3.06Å; S74-R77 PolarHBondContact O-NH1 3.1Å; L75-R77 PolarHBondContact O-N 2.81Å; R77-G79 PolarHBondContact O-N 2.93Å; R77-G79 VanDerWaalsContact O-N 3.17Å
78	F	92.8	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.			trans	-88.4	66.2	-177.9	-56.3	-67.3	0	0	0	111.4	I49 I53 N54 V57 L60 L75 N76 N80 L81 Q102	I49-F78 HydrophobicContact CG2-CE2 4.1Å; I53-F78 HydrophobicContact CB-CE1 4.17Å; I53-F78 HydrophobicContact CB-CZ 4.18Å; I53-F78 HydrophobicContact CG2-CE1 3.98Å; I53-F78 HydrophobicContact CG2-CZ 4.34Å; N54-F78 WeakPolarHBondContact O-CE1 3.31Å; V57-F78 HydrophobicContact CB-CD1 4.4Å; L60-F78 HydrophobicContact CD2-CD2 4.19Å; L60-F78 HydrophobicContact CD2-CE1 4.33Å; L60-F78 HydrophobicContact CD2-CE2 3.67Å; L60-F78 HydrophobicContact CD2-CZ 3.73Å; L75-F78 HydrophobicContact CD2-CD2 3.96Å; L75-F78 HydrophobicContact CD2-CE2 4.23Å; L75-F78 WeakPolarHBondContact O-CD2 3.03Å; L75-F78 PolarHBondContact O-N 2.9Å; N76-F78 PolarHBondContact O-N 2.87Å; F78-N80 VanDerWaalsContact C-N 3.28Å; F78-N80 PolarHBondContact O-N 2.94Å; F78-L81 HydrophobicContact CB-CB 4.06Å; F78-L81 HydrophobicContact CB-CD1 4.49Å; F78-L81 HydrophobicContact CB-CD2 4.29Å; F78-L81 WeakPolarHBondContact O-CB 3.5Å; F78-L81 PolarHBondContact O-N 3.33Å; F78-Q102 PolarHBondContact O-NE2 3.46Å
79	G	91.2	Very high	95.2	Very high	29 Å²	29	36.2 Å²	36.2	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.7	-176	0	0	0	0	0	114.9	R77	R77-G79 PolarHBondContact O-N 2.93Å; R77-G79 VanDerWaalsContact O-N 3.17Å
80	N	92.3	Very high	95.3	Very high	84 Å²	84	37.6 Å²	37.6	45%	0.449	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	7.4	-177.1	-66.5	12.9	0	0	0	113.4	H58 F78 T82	H58-N80 PolarHBondContact CD2-O 3.47Å; F78-N80 VanDerWaalsContact C-N 3.28Å; F78-N80 PolarHBondContact O-N 2.94Å; N80-T82 PolarHBondContact O-N 2.98Å
81	L	95.4	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.			trans	-66.1	123.4	-174.6	-158.7	70.3	0	0	0	111	V57 H58 L60 F78 L84 Q102 S104 L105	V57-L81 HydrophobicContact CG1-CD1 4.08Å; H58-L81 WeakPolarHBondContact O-CD1 3.27Å; L60-L81 HydrophobicContact CB-CD1 3.65Å; F78-L81 HydrophobicContact CB-CB 4.06Å; F78-L81 HydrophobicContact CB-CD1 4.49Å; F78-L81 HydrophobicContact CB-CD2 4.29Å; F78-L81 WeakPolarHBondContact O-CB 3.5Å; F78-L81 PolarHBondContact O-N 3.33Å; L81-L84 HydrophobicContact CD2-CB 3.96Å; L81-L84 HydrophobicContact CD2-CD1 4.29Å; L81-L84 HydrophobicContact CD2-CD2 4.05Å; L81-L84 HydrophobicContact CD2-CG 4.32Å; L81-Q102 HydrophobicContact CB-CG 4.43Å; L81-Q102 HydrophobicContact CD2-CG 4.26Å; L81-S104 CarbonylContact O-C 3.1Å; L81-L105 HydrophobicContact CB-CD1 4.3Å; L81-L105 HydrophobicContact CD2-CD1 4.02Å; L81-L105 HydrophobicContact CG-CD1 3.93Å; L81-L105 VanDerWaalsContact O-CA 3.26Å; L81-L105 WeakPolarHBondContact O-CA 3.34Å; L81-L105 PolarHBondContact O-N 2.63Å; L81-L105 VanDerWaalsContact O-N 3.11Å
82	T	96.8	Very high	95.4	Very high	25 Å²	25	38 Å²	38	15%	0.153	21%	0.207	C	C	.	.			trans	-104.4	-33.3	174.7	57	0	0	0	0	111.7	H58 N80 Q106 V107	H58-T82 PolarHBondContact O-N 3.25Å; H58-T82 PolarHBondContact O-OG1 2.94Å; N80-T82 PolarHBondContact O-N 2.98Å; T82-Q106 PolarHBondContact O-N 3.24Å; T82-V107 PolarHBondContact O-N 2.9Å
83	D	97.9	Very high	95.5	Very high	51 Å²	51	38.9 Å²	38.9	27%	0.273	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.4	-172	-63.8	-102.1	0	0	0	110.4	H58 D59 L60 V107	H58-D83 PolarHBondContact O-N 3.36Å; D59-D83 WeakPolarHBondContact CA-O 3.26Å; D59-D83 HydrophobicContact CB-CB 4.07Å; L60-D83 PolarHBondContact N-O 3.27Å; D83-V107 WeakPolarHBondContact OD1-CB 3.49Å; D83-V107 WeakPolarHBondContact OD1-CG2 3.31Å
84	L	97.9	Very high	95.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	110.7	-180	179.1	51.9	0	0	0	110.8	L60 L75 L81 L86 F99 L105 V107 L108 Q109	L60-L84 HydrophobicContact CB-CD1 4.19Å; L60-L84 HydrophobicContact CD2-CD1 4.11Å; L60-L84 HydrophobicContact CG-CD1 4.14Å; L75-L84 HydrophobicContact CD1-CD2 4.13Å; L75-L84 HydrophobicContact CD2-CD2 4.14Å; L81-L84 HydrophobicContact CD2-CB 3.96Å; L81-L84 HydrophobicContact CD2-CD1 4.29Å; L81-L84 HydrophobicContact CD2-CD2 4.05Å; L81-L84 HydrophobicContact CD2-CG 4.32Å; L84-L86 HydrophobicContact CD1-CD1 4.22Å; L84-L86 HydrophobicContact CD1-CD2 4.21Å; L84-L86 HydrophobicContact CD1-CG 3.92Å; L84-L86 HydrophobicContact CD2-CD1 3.98Å; L84-L86 HydrophobicContact CG-CD1 3.93Å; L84-L86 HydrophobicContact CG-CG 4.01Å; L84-F99 HydrophobicContact CD2-CE1 3.93Å; L84-L105 HydrophobicContact CB-CD1 3.84Å; L84-L105 HydrophobicContact CB-CD2 4.49Å; L84-V107 PolarHBondContact N-O 3.09Å; L84-L108 HydrophobicContact CB-CD1 4.11Å; L84-L108 HydrophobicContact CD2-CD1 3.98Å; L84-L108 HydrophobicContact CG-CD1 4.01Å; L84-Q109 PolarHBondContact O-N 3.38Å
85	N	98.2	Very high	96	Very high	27 Å²	27	37.4 Å²	37.4	14%	0.144	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.1	178.7	-172.7	-6.3	0	0	0	112	L60 R61 L62 N63 T87 Q109	L60-N85 PolarHBondContact O-N 3.08Å; R61-N85 HydrophobicContact CG-CB 4.46Å; L62-N85 CarbonylContact C-O 3.17Å; L62-N85 WeakPolarHBondContact CA-O 3.44Å; L62-N85 PolarHBondContact N-O 3.23Å; N63-N85 PolarHBondContact N-O 3.27Å; N85-T87 WeakPolarHBondContact OD1-CB 3.18Å; N85-T87 PolarHBondContact OD1-N 2.98Å; N85-T87 PolarHBondContact OD1-OG1 3.35Å; N85-Q109 HydrophobicContact CB-CB 4.46Å; N85-Q109 PolarHBondContact ND2-OE1 3.07Å; N85-Q109 PolarHBondContact OD1-OE1 2.7Å
86	L	97.9	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.			trans	-112.3	13.9	178.1	-65.4	166.8	0	0	0	112	L62 L67 V70 L84 N89 I91 Q109 L110 N113	L62-L86 HydrophobicContact CB-CD2 3.96Å; L62-L86 HydrophobicContact CD1-CD2 4.22Å; L67-L86 HydrophobicContact CD1-CD2 3.44Å; L67-L86 VanDerWaalsContact CD1-CD2 3.44Å; V70-L86 HydrophobicContact CG2-CD1 3.93Å; L84-L86 HydrophobicContact CD1-CD1 4.22Å; L84-L86 HydrophobicContact CD1-CD2 4.21Å; L84-L86 HydrophobicContact CD1-CG 3.92Å; L84-L86 HydrophobicContact CD2-CD1 3.98Å; L84-L86 HydrophobicContact CG-CD1 3.93Å; L84-L86 HydrophobicContact CG-CG 4.01Å; L86-N89 PolarHBondContact O-ND2 3.29Å; L86-I91 HydrophobicContact CB-CD1 3.83Å; L86-I91 HydrophobicContact CD1-CD1 4.18Å; L86-I91 HydrophobicContact CD2-CD1 4.33Å; L86-I91 HydrophobicContact CG-CD1 4.35Å; L86-Q109 CarbonylContact C-O 3.57Å; L86-Q109 WeakPolarHBondContact CA-O 3.39Å; L86-Q109 WeakPolarHBondContact CB-O 3.37Å; L86-Q109 PolarHBondContact N-O 3.11Å; L86-L110 HydrophobicContact CB-CD2 3.97Å; L86-L110 HydrophobicContact CD1-CD2 3.79Å; L86-N113 PolarHBondContact O-ND2 3.28Å
87	T	98.1	Very high	96.2	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.147	21%	0.205	C	C	.	.			trans	-60.1	144.7	-174.3	-48.7	0	0	0	0	112.4	N63 E64 N85 Q109 G111 Y112	N63-T87 CarbonylContact C-O 3.43Å; N63-T87 WeakPolarHBondContact CA-O 3.49Å; N63-T87 WeakPolarHBondContact CB-O 3.27Å; E64-T87 PolarHBondContact N-O 3.07Å; N85-T87 WeakPolarHBondContact OD1-CB 3.18Å; N85-T87 PolarHBondContact OD1-N 2.98Å; N85-T87 PolarHBondContact OD1-OG1 3.35Å; T87-Q109 PolarHBondContact N-O 3.35Å; T87-Q109 VanDerWaalsContact OG1-CB 3.31Å; T87-Q109 WeakPolarHBondContact OG1-CB 3.29Å; T87-G111 CarbonylContact C-O 3.07Å; T87-G111 VanDerWaalsContact CA-O 3.23Å; T87-G111 WeakPolarHBondContact CA-O 3.06Å; T87-G111 VanDerWaalsContact CG2-O 3.28Å; T87-G111 WeakPolarHBondContact CG2-O 3.45Å; T87-Y112 HydrophobicContact CG2-CD2 3.98Å
88	K	97.7	Very high	96.4	Very high	88 Å²	88	36.6 Å²	36.6	38%	0.383	19%	0.194	S	C	.	.	S	Bend	trans	54.8	59.7	-177.8	-61.8	168.5	-173.2	177.6	0	112.2	E64 G111 Y112	E64-K88 WeakPolarHBondContact CA-O 3.44Å; E64-K88 HydrophobicContact CG-CB 3.76Å; E64-K88 HydrophobicContact CG-CD 3.48Å; E64-K88 VanDerWaalsContact CG-CD 3.48Å; E64-K88 HydrophobicContact CG-CG 4.31Å; E64-K88 PolarHBondContact N-O 3.38Å; E64-K88 WeakPolarHBondContact OE1-CD 3.37Å; E64-K88 WeakPolarHBondContact OE1-CE 3.22Å; E64-K88 IonicContact OE1-NZ 3.08Å; E64-K88 PolarHBondContact OE1-NZ 3.01Å; K88-G111 PolarHBondContact N-O 3.32Å; K88-Y112 VanDerWaalsContact CA-O 3.26Å; K88-Y112 WeakPolarHBondContact CA-O 3.42Å; K88-Y112 HydrophobicContact CG-CD2 4.27Å; K88-Y112 HydrophobicContact CG-CG 4.08Å; K88-Y112 PolarHBondContact N-O 2.86Å
89	N	97.8	Very high	96.6	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.053	19%	0.194	C	C	.	.	S	Bend	trans	-121.3	-165	170	-87.6	-81.9	0	0	0	109.3	L62 N65 K66 L67 L86 I91 Y112 N113	L62-N89 PolarHBondContact O-ND2 2.95Å; N65-N89 VanDerWaalsContact CA-OD1 3.31Å; N65-N89 WeakPolarHBondContact CA-OD1 3.44Å; N65-N89 WeakPolarHBondContact CB-OD1 3.43Å; N65-N89 PolarHBondContact N-OD1 3.03Å; N65-N89 PolarHBondContact O-OD1 2.04Å; K66-N89 PolarHBondContact N-OD1 2.65Å; L67-N89 HydrophobicContact CB-CB 4.11Å; L67-N89 WeakPolarHBondContact CB-OD1 3.32Å; L67-N89 WeakPolarHBondContact CG-OD1 3.44Å; L67-N89 PolarHBondContact N-OD1 3.08Å; L86-N89 PolarHBondContact O-ND2 3.29Å; N89-I91 HydrophobicContact CB-CD1 4.14Å; N89-I91 HydrophobicContact CB-CG1 3.95Å; N89-Y112 PolarHBondContact N-O 3.14Å; N89-N113 VanDerWaalsContact CA-OD1 3.26Å; N89-N113 WeakPolarHBondContact CA-OD1 3.25Å; N89-N113 WeakPolarHBondContact CB-OD1 3.39Å; N89-N113 PolarHBondContact N-OD1 3.03Å; N89-N113 PolarHBondContact O-OD1 2.97Å
90	E	97.8	Very high	96.7	Very high	62 Å²	62	39.5 Å²	39.5	29%	0.29	20%	0.202	S	C	.	.			trans	-111.2	25.3	176.8	-60.2	-163.2	-130.3	0	0	111.9	L67 S92 N113 K114	L67-E90 CarbonylContact O-C 3.58Å; L67-E90 VanDerWaalsContact O-CA 3.31Å; L67-E90 WeakPolarHBondContact O-CA 3.36Å; L67-E90 PolarHBondContact O-N 3.11Å; E90-S92 PolarHBondContact O-N 3.43Å; E90-N113 PolarHBondContact N-OD1 3.07Å; E90-K114 HydrophobicContact CB-CD 4.28Å; E90-K114 IonicContact OE2-NZ 3.16Å; E90-K114 PolarHBondContact OE2-NZ 3.3Å
91	I	98.3	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.			trans	-69.3	114.5	-168.9	-57.4	169.1	0	0	0	109.8	L67 K68 V70 L86 N89 Y93 I94 L110 N113 K114 L115	L67-I91 HydrophobicContact CB-CD1 4.27Å; L67-I91 HydrophobicContact CB-CG1 3.97Å; L67-I91 VanDerWaalsContact O-CG1 3.26Å; L67-I91 WeakPolarHBondContact O-CG1 3.23Å; L67-I91 PolarHBondContact O-N 3Å; K68-I91 WeakPolarHBondContact O-CA 3.31Å; V70-I91 HydrophobicContact CG2-CD1 3.96Å; V70-I91 HydrophobicContact CG2-CG2 4.11Å; L86-I91 HydrophobicContact CB-CD1 3.83Å; L86-I91 HydrophobicContact CD1-CD1 4.18Å; L86-I91 HydrophobicContact CD2-CD1 4.33Å; L86-I91 HydrophobicContact CG-CD1 4.35Å; N89-I91 HydrophobicContact CB-CD1 4.14Å; N89-I91 HydrophobicContact CB-CG1 3.95Å; I91-Y93 WeakPolarHBondContact CG2-O 3.45Å; I91-I94 HydrophobicContact CG2-CG1 4.37Å; I91-L110 HydrophobicContact CD1-CD2 4.07Å; I91-N113 HydrophobicContact CB-CB 4.24Å; I91-N113 VanDerWaalsContact CB-OD1 3.32Å; I91-N113 WeakPolarHBondContact CB-OD1 3.44Å; I91-N113 WeakPolarHBondContact CG1-OD1 3.33Å; I91-N113 PolarHBondContact N-OD1 2.91Å; I91-K114 CarbonylContact O-C 3.1Å; I91-K114 VanDerWaalsContact O-C 3.25Å; I91-K114 VanDerWaalsContact O-CA 3.3Å; I91-K114 WeakPolarHBondContact O-CA 3.46Å; I91-K114 PolarHBondContact O-N 3.4Å; I91-L115 HydrophobicContact CG2-CD2 3.97Å; I91-L115 PolarHBondContact O-N 3.03Å
92	S	97.1	Very high	96.5	Very high	66 Å²	66	36.4 Å²	36.4	46%	0.462	19%	0.19	S	C	.	.			trans	-112.9	-3.3	175.9	65.4	0	0	0	0	113.6	K68 E90	K68-S92 PolarHBondContact O-N 3.31Å; E90-S92 PolarHBondContact O-N 3.43Å
93	Y	96.4	Very high	96.3	Very high	123 Å²	123	38.1 Å²	38.1	48%	0.482	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.9	-177.6	179.9	-110.8	0	0	0	111.4	A69 V70 L71 I91 E95	A69-Y93 VanDerWaalsContact CA-O 3.26Å; A69-Y93 WeakPolarHBondContact CA-O 3.1Å; A69-Y93 HydrophobicContact CB-CD1 4.19Å; V70-Y93 PolarHBondContact N-O 3.06Å; L71-Y93 HydrophobicContact CD2-CE1 4.33Å; I91-Y93 WeakPolarHBondContact CG2-O 3.45Å; Y93-E95 HydrophobicContact CE1-CB 4.12Å
94	I	97.4	Very high	96.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.9	168	-58.9	-179.2	0	0	0	105.7	V70 I91 A98 F99 L110 L115 M122	V70-I94 HydrophobicContact CB-CG1 4.16Å; V70-I94 HydrophobicContact CB-CG2 4.25Å; V70-I94 HydrophobicContact CG2-CG1 4.26Å; I91-I94 HydrophobicContact CG2-CG1 4.37Å; I94-A98 HydrophobicContact CG2-CB 3.76Å; I94-F99 HydrophobicContact CD1-CE2 4.32Å; I94-F99 HydrophobicContact CD1-CZ 4.41Å; I94-F99 HydrophobicContact CG2-CE2 3.82Å; I94-F99 HydrophobicContact CG2-CZ 4.33Å; I94-L110 HydrophobicContact CD1-CD1 3.83Å; I94-L110 HydrophobicContact CD1-CD2 4.35Å; I94-L115 HydrophobicContact CD1-CD1 4.25Å; I94-L115 HydrophobicContact CD1-CD2 4.15Å; I94-L115 HydrophobicContact CG1-CD2 4.01Å; I94-M122 HydrophobicContact CB-CB 4.4Å; I94-M122 HydrophobicContact CB-CE 3.93Å; I94-M122 HydrophobicContact CB-CG 4.18Å; I94-M122 HydrophobicContact CD1-CE 4.11Å; I94-M122 HydrophobicContact CG1-CE 4.13Å; I94-M122 HydrophobicContact CG2-CB 4.32Å
95	E	96.7	Very high	96.1	Very high	67 Å²	67	36.8 Å²	36.8	31%	0.313	20%	0.198	S	C	.	.			trans	-67.1	138.9	176.7	-174.4	173.3	-148.5	0	0	110.5	V70 L71 Y72 Y93 G97 A98	V70-E95 PolarHBondContact O-N 3.3Å; L71-E95 VanDerWaalsContact CA-OE2 3.25Å; L71-E95 WeakPolarHBondContact CA-OE2 3.46Å; L71-E95 WeakPolarHBondContact CB-OE2 3.47Å; L71-E95 HydrophobicContact CD2-CB 4.01Å; Y72-E95 PolarHBondContact N-OE2 3.2Å; Y93-E95 HydrophobicContact CE1-CB 4.12Å; E95-G97 PolarHBondContact O-N 3.12Å; E95-A98 HydrophobicContact CB-CB 4.24Å; E95-A98 WeakPolarHBondContact O-CB 3.37Å; E95-A98 PolarHBondContact O-N 3.49Å
96	D	96	Very high	96.1	Very high	106 Å²	106	39 Å²	39	57%	0.567	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	122	176.6	-75.9	-33.7	0	0	0	109.5	T119 G121 M122	D96-T119 PolarHBondContact OD1-OG1 3.46Å; D96-G121 CarbonylContact C-O 3.2Å; D96-G121 WeakPolarHBondContact OD1-CA 3.42Å; D96-M122 PolarHBondContact OD1-N 3.22Å; D96-M122 VanDerWaalsContact OD1-N 3.12Å
97	G	94.9	Very high	96.1	Very high	4 Å²	4	40.1 Å²	40.1	4%	0.041	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	13.2	-172.5	0	0	0	0	0	115.3	Y72 E95 F99 L100 G121	Y72-G97 WeakPolarHBondContact CD2-O 3.47Å; E95-G97 PolarHBondContact O-N 3.12Å; G97-F99 PolarHBondContact O-N 3.46Å; G97-L100 WeakPolarHBondContact O-CB 3.48Å; G97-L100 VanDerWaalsContact O-CG 3.28Å; G97-L100 WeakPolarHBondContact O-CG 3.48Å; G97-L100 PolarHBondContact O-N 3.31Å; G97-G121 PolarHBondContact N-O 3.21Å
98	A	95.9	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-31.7	177.7	0	0	0	0	0	114.1	V70 I94 E95	V70-A98 HydrophobicContact CG1-CB 4.19Å; I94-A98 HydrophobicContact CG2-CB 3.76Å; E95-A98 HydrophobicContact CB-CB 4.24Å; E95-A98 WeakPolarHBondContact O-CB 3.37Å; E95-A98 PolarHBondContact O-N 3.49Å
99	F	95.8	Very high	96.1	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	11.3	-179.5	-54.3	-70.4	0	0	0	114.3	V70 L75 L84 I94 G97 G101 Q102 L108 M122 M126	V70-F99 HydrophobicContact CG1-CE1 4.18Å; V70-F99 HydrophobicContact CG1-CZ 4.18Å; L75-F99 HydrophobicContact CD1-CD1 3.51Å; L75-F99 HydrophobicContact CD1-CE1 3.43Å; L75-F99 VanDerWaalsContact CD1-CE1 3.43Å; L75-F99 HydrophobicContact CD1-CZ 4.48Å; L84-F99 HydrophobicContact CD2-CE1 3.93Å; I94-F99 HydrophobicContact CD1-CE2 4.32Å; I94-F99 HydrophobicContact CD1-CZ 4.41Å; I94-F99 HydrophobicContact CG2-CE2 3.82Å; I94-F99 HydrophobicContact CG2-CZ 4.33Å; G97-F99 PolarHBondContact O-N 3.46Å; F99-G101 PolarHBondContact O-N 2.98Å; F99-G101 VanDerWaalsContact O-N 3.09Å; F99-Q102 HydrophobicContact CB-CB 4.29Å; F99-Q102 WeakPolarHBondContact O-CA 3.44Å; F99-Q102 WeakPolarHBondContact O-CB 3.24Å; F99-Q102 PolarHBondContact O-N 3.06Å; F99-L108 HydrophobicContact CE1-CD1 4.25Å; F99-L108 HydrophobicContact CE1-CD2 4.31Å; F99-L108 HydrophobicContact CE2-CD2 4.1Å; F99-L108 HydrophobicContact CZ-CD1 4.28Å; F99-L108 HydrophobicContact CZ-CD2 3.86Å; F99-M122 VanDerWaalsContact CD2-O 3.22Å; F99-M122 WeakPolarHBondContact CD2-O 3.47Å; F99-M122 WeakPolarHBondContact CE2-O 3.32Å; F99-M126 HydrophobicContact CB-CG 3.61Å; F99-M126 HydrophobicContact CB-SD 3.75Å; F99-M126 HydrophobicContact CD1-SD 4.21Å; F99-M126 HydrophobicContact CD2-CE 3.88Å; F99-M126 HydrophobicContact CD2-CG 4.47Å; F99-M126 HydrophobicContact CD2-SD 3.8Å; F99-M126 HydrophobicContact CE2-CE 4.28Å; F99-M126 HydrophobicContact CE2-SD 4.46Å; F99-M126 HydrophobicContact CG-CE 4.36Å; F99-M126 HydrophobicContact CG-CG 4.2Å; F99-M126 HydrophobicContact CG-SD 3.66Å
100	L	93.7	Very high	96.2	Very high	89 Å²	89	37.1 Å²	37.1	47%	0.466	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.4	-179.6	-77.3	169.8	0	0	0	114	Y72 G97 R124	Y72-L100 HydrophobicContact CD2-CB 4.35Å; Y72-L100 HydrophobicContact CE2-CB 4.11Å; G97-L100 WeakPolarHBondContact O-CB 3.48Å; G97-L100 VanDerWaalsContact O-CG 3.28Å; G97-L100 WeakPolarHBondContact O-CG 3.48Å; G97-L100 PolarHBondContact O-N 3.31Å; L100-R124 HydrophobicContact CD2-CB 4.47Å; L100-R124 HydrophobicContact CD2-CG 4.1Å
101	G	89.8	Confident	96.2	Very high	19 Å²	19	34.1 Å²	34.1	20%	0.196	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.5	172.1	0	0	0	0	0	114.3	F99 S103	F99-G101 PolarHBondContact O-N 2.98Å; F99-G101 VanDerWaalsContact O-N 3.09Å; G101-S103 PolarHBondContact O-N 2.95Å
102	Q	94.6	Very high	96.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.			trans	-105.1	42	-165.4	-76.6	55.5	66.9	0	0	111.4	L75 F78 L81 F99 S104 L105	L75-Q102 PolarHBondContact O-NE2 3.07Å; F78-Q102 PolarHBondContact O-NE2 3.46Å; L81-Q102 HydrophobicContact CB-CG 4.43Å; L81-Q102 HydrophobicContact CD2-CG 4.26Å; F99-Q102 HydrophobicContact CB-CB 4.29Å; F99-Q102 WeakPolarHBondContact O-CA 3.44Å; F99-Q102 WeakPolarHBondContact O-CB 3.24Å; F99-Q102 PolarHBondContact O-N 3.06Å; Q102-S104 PolarHBondContact O-N 3.36Å; Q102-L105 HydrophobicContact CB-CB 4.23Å; Q102-L105 VanDerWaalsContact O-CB 3.28Å; Q102-L105 WeakPolarHBondContact O-CB 3.44Å; Q102-L105 PolarHBondContact O-N 3.05Å
103	S	91.8	Very high	96.2	Very high	60 Å²	60	37 Å²	37	42%	0.42	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.1	-178.2	60.4	0	0	0	0	114.5	G101 R128	G101-S103 PolarHBondContact O-N 2.95Å; S103-R128 WeakPolarHBondContact O-CD 3.26Å; S103-R128 WeakPolarHBondContact O-CG 3.42Å
104	S	94.8	Very high	96.3	Very high	26 Å²	26	35.2 Å²	35.2	18%	0.182	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.8	175	-62.3	0	0	0	0	114.8	L81 Q102 Q106	L81-S104 CarbonylContact O-C 3.1Å; Q102-S104 PolarHBondContact O-N 3.36Å; S104-Q106 PolarHBondContact O-N 3.15Å
105	L	97.1	Very high	96.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.			trans	-68.5	131.6	-173.8	-161.5	75.9	0	0	0	111.4	L81 L84 Q102 L108 M126 R128 L129	L81-L105 HydrophobicContact CB-CD1 4.3Å; L81-L105 HydrophobicContact CD2-CD1 4.02Å; L81-L105 HydrophobicContact CG-CD1 3.93Å; L81-L105 VanDerWaalsContact O-CA 3.26Å; L81-L105 WeakPolarHBondContact O-CA 3.34Å; L81-L105 PolarHBondContact O-N 2.63Å; L81-L105 VanDerWaalsContact O-N 3.11Å; L84-L105 HydrophobicContact CB-CD1 3.84Å; L84-L105 HydrophobicContact CB-CD2 4.49Å; Q102-L105 HydrophobicContact CB-CB 4.23Å; Q102-L105 VanDerWaalsContact O-CB 3.28Å; Q102-L105 WeakPolarHBondContact O-CB 3.44Å; Q102-L105 PolarHBondContact O-N 3.05Å; L105-L108 HydrophobicContact CD2-CB 4.06Å; L105-L108 HydrophobicContact CD2-CD1 4.35Å; L105-M126 HydrophobicContact CD2-SD 3.78Å; L105-R128 CarbonylContact O-C 3.59Å; L105-L129 HydrophobicContact CD2-CD1 4.29Å; L105-L129 HydrophobicContact CG-CD1 4.41Å; L105-L129 VanDerWaalsContact O-CA 3.27Å; L105-L129 WeakPolarHBondContact O-CA 3.39Å; L105-L129 PolarHBondContact O-N 2.96Å; L105-L129 VanDerWaalsContact O-N 3.08Å
106	Q	97.9	Very high	96.4	Very high	72 Å²	72	34.9 Å²	34.9	34%	0.336	19%	0.188	S	C	.	.			trans	-117.6	-33	-178	-67.6	175.7	68.3	0	0	111.7	T82 S104 Q130 F131	T82-Q106 PolarHBondContact O-N 3.24Å; S104-Q106 PolarHBondContact O-N 3.15Å; Q106-Q130 PolarHBondContact O-N 3.05Å; Q106-F131 PolarHBondContact O-N 2.65Å
107	V	98.4	Very high	96.4	Very high	24 Å²	24	33 Å²	33	15%	0.145	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.1	-179.8	-175.4	0	0	0	0	110.6	T82 D83 L84 Q109 F131 F133	T82-V107 PolarHBondContact O-N 2.9Å; D83-V107 WeakPolarHBondContact OD1-CB 3.49Å; D83-V107 WeakPolarHBondContact OD1-CG2 3.31Å; L84-V107 PolarHBondContact N-O 3.09Å; V107-Q109 HydrophobicContact CG1-CG 4Å; V107-F131 HydrophobicContact CG1-CB 4.35Å; V107-F131 HydrophobicContact CG2-CB 4.28Å; V107-F131 HydrophobicContact CG2-CD2 4.01Å; V107-F131 HydrophobicContact CG2-CG 4.48Å; V107-F133 HydrophobicContact CG1-CE2 4.34Å
108	L	98.4	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.1	173.9	-179.5	56.4	0	0	0	110.3	L84 F99 L105 L110 M126 L129 F131 L132 F133	L84-L108 HydrophobicContact CB-CD1 4.11Å; L84-L108 HydrophobicContact CD2-CD1 3.98Å; L84-L108 HydrophobicContact CG-CD1 4.01Å; F99-L108 HydrophobicContact CE1-CD1 4.25Å; F99-L108 HydrophobicContact CE1-CD2 4.31Å; F99-L108 HydrophobicContact CE2-CD2 4.1Å; F99-L108 HydrophobicContact CZ-CD1 4.28Å; F99-L108 HydrophobicContact CZ-CD2 3.86Å; L105-L108 HydrophobicContact CD2-CB 4.06Å; L105-L108 HydrophobicContact CD2-CD1 4.35Å; L108-L110 HydrophobicContact CD1-CD1 4.18Å; L108-L110 HydrophobicContact CD1-CG 4.09Å; L108-L110 HydrophobicContact CD2-CD1 3.79Å; L108-L110 HydrophobicContact CG-CD1 3.87Å; L108-L110 HydrophobicContact CG-CG 4.11Å; L108-M126 HydrophobicContact CD2-CE 3.77Å; L108-M126 HydrophobicContact CD2-SD 3.99Å; L108-L129 HydrophobicContact CB-CD1 3.77Å; L108-F131 PolarHBondContact N-O 3.35Å; L108-L132 HydrophobicContact CB-CD1 4.18Å; L108-L132 HydrophobicContact CD2-CD1 3.97Å; L108-L132 HydrophobicContact CG-CD1 4.13Å; L108-F133 PolarHBondContact O-N 3.06Å
109	Q	98.5	Very high	96.4	Very high	59 Å²	59	34.4 Å²	34.4	28%	0.276	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107	178.5	-52	-178.4	-17.2	0	0	110.5	L84 N85 L86 T87 V107 F133	L84-Q109 PolarHBondContact O-N 3.38Å; N85-Q109 HydrophobicContact CB-CB 4.46Å; N85-Q109 PolarHBondContact ND2-OE1 3.07Å; N85-Q109 PolarHBondContact OD1-OE1 2.7Å; L86-Q109 CarbonylContact C-O 3.57Å; L86-Q109 WeakPolarHBondContact CA-O 3.39Å; L86-Q109 WeakPolarHBondContact CB-O 3.37Å; L86-Q109 PolarHBondContact N-O 3.11Å; T87-Q109 PolarHBondContact N-O 3.35Å; T87-Q109 VanDerWaalsContact OG1-CB 3.31Å; T87-Q109 WeakPolarHBondContact OG1-CB 3.29Å; V107-Q109 HydrophobicContact CG1-CG 4Å; Q109-F133 HydrophobicContact CG-CB 4.5Å; Q109-F133 HydrophobicContact CG-CD2 3.86Å
110	L	98.3	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.			trans	-116.9	10.8	179.7	-77.5	164.7	0	0	0	112	L86 I91 I94 L108 N113 L115 F133 V134 N137	L86-L110 HydrophobicContact CB-CD2 3.97Å; L86-L110 HydrophobicContact CD1-CD2 3.79Å; I91-L110 HydrophobicContact CD1-CD2 4.07Å; I94-L110 HydrophobicContact CD1-CD1 3.83Å; I94-L110 HydrophobicContact CD1-CD2 4.35Å; L108-L110 HydrophobicContact CD1-CD1 4.18Å; L108-L110 HydrophobicContact CD1-CG 4.09Å; L108-L110 HydrophobicContact CD2-CD1 3.79Å; L108-L110 HydrophobicContact CG-CD1 3.87Å; L108-L110 HydrophobicContact CG-CG 4.11Å; L110-N113 WeakPolarHBondContact O-CB 3.47Å; L110-N113 PolarHBondContact O-ND2 2.8Å; L110-L115 HydrophobicContact CB-CD1 4.33Å; L110-L115 HydrophobicContact CD1-CD1 4.26Å; L110-F133 CarbonylContact C-O 3.14Å; L110-F133 WeakPolarHBondContact CA-O 3.4Å; L110-F133 PolarHBondContact N-O 3.12Å; L110-V134 HydrophobicContact CB-CG1 4.02Å; L110-V134 HydrophobicContact CD1-CG1 4.33Å; L110-N137 PolarHBondContact O-ND2 3.49Å
111	G	97.9	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.			trans	-60.1	154.3	-177.8	0	0	0	0	0	114.3	T87 K88 N113 F133 Q135	T87-G111 CarbonylContact C-O 3.07Å; T87-G111 VanDerWaalsContact CA-O 3.23Å; T87-G111 WeakPolarHBondContact CA-O 3.06Å; T87-G111 VanDerWaalsContact CG2-O 3.28Å; T87-G111 WeakPolarHBondContact CG2-O 3.45Å; K88-G111 PolarHBondContact N-O 3.32Å; G111-N113 PolarHBondContact O-N 2.98Å; G111-N113 PolarHBondContact O-ND2 2.9Å; G111-F133 PolarHBondContact N-O 2.92Å; G111-Q135 CarbonylContact C-O 3.38Å; G111-Q135 WeakPolarHBondContact CA-O 3.35Å
112	Y	98.3	Very high	96.7	Very high	116 Å²	116	34 Å²	34	46%	0.455	18%	0.181	S	C	.	.	S	Bend	trans	54.6	49.9	-177.7	-57.7	-90.4	0	0	0	113.1	T87 K88 N89 Q135 H136	T87-Y112 HydrophobicContact CG2-CD2 3.98Å; K88-Y112 VanDerWaalsContact CA-O 3.26Å; K88-Y112 WeakPolarHBondContact CA-O 3.42Å; K88-Y112 HydrophobicContact CG-CD2 4.27Å; K88-Y112 HydrophobicContact CG-CG 4.08Å; K88-Y112 PolarHBondContact N-O 2.86Å; N89-Y112 PolarHBondContact N-O 3.14Å; Y112-Q135 PolarHBondContact N-O 3.36Å; Y112-H136 WeakPolarHBondContact CA-O 3.49Å; Y112-H136 HydrophobicContact CD1-CB 3.59Å; Y112-H136 AromaticContact CD1-CG 3.93Å; Y112-H136 HydrophobicContact CD2-CB 4.44Å; Y112-H136 HydrophobicContact CE1-CB 3.8Å; Y112-H136 AromaticContact CE1-CD2 3.43Å; Y112-H136 VanDerWaalsContact CE1-CD2 3.43Å; Y112-H136 WeakPolarHBondContact CE1-CD2 3.27Å; Y112-H136 AromaticContact CE1-CG 3.58Å; Y112-H136 AromaticContact CE2-CD2 3.93Å; Y112-H136 HydrophobicContact CG-CB 3.96Å; Y112-H136 AromaticContact CZ-CD2 3.3Å; Y112-H136 AromaticContact CZ-CG 3.93Å; Y112-H136 AromaticContact CZ-NE2 3.96Å; Y112-H136 PolarHBondContact OH-CD2 3.12Å
113	N	98.6	Very high	96.7	Very high	10 Å²	10	34 Å²	34	5%	0.053	18%	0.182	C	C	.	.	S	Bend	trans	-121.2	-160.5	174.8	-85.5	-76.6	0	0	0	110.3	L86 N89 E90 I91 L110 G111 N137	L86-N113 PolarHBondContact O-ND2 3.28Å; N89-N113 VanDerWaalsContact CA-OD1 3.26Å; N89-N113 WeakPolarHBondContact CA-OD1 3.25Å; N89-N113 WeakPolarHBondContact CB-OD1 3.39Å; N89-N113 PolarHBondContact N-OD1 3.03Å; N89-N113 PolarHBondContact O-OD1 2.97Å; E90-N113 PolarHBondContact N-OD1 3.07Å; I91-N113 HydrophobicContact CB-CB 4.24Å; I91-N113 VanDerWaalsContact CB-OD1 3.32Å; I91-N113 WeakPolarHBondContact CB-OD1 3.44Å; I91-N113 WeakPolarHBondContact CG1-OD1 3.33Å; I91-N113 PolarHBondContact N-OD1 2.91Å; L110-N113 WeakPolarHBondContact O-CB 3.47Å; L110-N113 PolarHBondContact O-ND2 2.8Å; G111-N113 PolarHBondContact O-N 2.98Å; G111-N113 PolarHBondContact O-ND2 2.9Å; N113-N137 VanDerWaalsContact CA-OD1 3.3Å; N113-N137 WeakPolarHBondContact CA-OD1 3.24Å; N113-N137 WeakPolarHBondContact CB-OD1 3.46Å; N113-N137 PolarHBondContact O-OD1 3.1Å
114	K	98.1	Very high	96.8	Very high	86 Å²	86	37.6 Å²	37.6	37%	0.374	19%	0.186	S	C	.	.			trans	-122.9	21.5	-173.4	-59.3	179.6	-177.8	176	0	112.7	E90 I91 N137 L138	E90-K114 HydrophobicContact CB-CD 4.28Å; E90-K114 IonicContact OE2-NZ 3.16Å; E90-K114 PolarHBondContact OE2-NZ 3.3Å; I91-K114 CarbonylContact O-C 3.1Å; I91-K114 VanDerWaalsContact O-C 3.25Å; I91-K114 VanDerWaalsContact O-CA 3.3Å; I91-K114 WeakPolarHBondContact O-CA 3.46Å; I91-K114 PolarHBondContact O-N 3.4Å; K114-N137 PolarHBondContact N-OD1 2.9Å; K114-L138 HydrophobicContact CB-CD1 4.43Å
115	L	98.1	Very high	96.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.186	C	C	.	.			trans	-64.9	133	179.6	-60.4	174.2	0	0	0	110.4	I91 I94 L110 M122 N137 L138 I139	I91-L115 HydrophobicContact CG2-CD2 3.97Å; I91-L115 PolarHBondContact O-N 3.03Å; I94-L115 HydrophobicContact CD1-CD1 4.25Å; I94-L115 HydrophobicContact CD1-CD2 4.15Å; I94-L115 HydrophobicContact CG1-CD2 4.01Å; L110-L115 HydrophobicContact CB-CD1 4.33Å; L110-L115 HydrophobicContact CD1-CD1 4.26Å; L115-M122 HydrophobicContact CD2-CE 4.37Å; L115-N137 HydrophobicContact CB-CB 4.27Å; L115-N137 WeakPolarHBondContact CB-OD1 3.29Å; L115-N137 WeakPolarHBondContact CG-OD1 3.28Å; L115-N137 PolarHBondContact N-OD1 3.43Å; L115-L138 CarbonylContact O-C 3.52Å; L115-L138 VanDerWaalsContact O-CA 3.25Å; L115-L138 WeakPolarHBondContact O-CA 3.26Å; L115-L138 WeakPolarHBondContact O-CB 3.46Å; L115-L138 PolarHBondContact O-N 3.5Å; L115-I139 HydrophobicContact CB-CG1 4.17Å; L115-I139 WeakPolarHBondContact O-CG1 3.1Å; L115-I139 PolarHBondContact O-N 3Å; L115-I139 VanDerWaalsContact O-N 3.14Å
116	S	96.9	Very high	96.3	Very high	60 Å²	60	37.2 Å²	37.2	42%	0.42	19%	0.186	S	C	.	.			trans	-105.9	-16.3	-178.8	54.8	0	0	0	0	114.2	I139 E140	S116-I139 WeakPolarHBondContact O-CA 3.4Å; S116-E140 PolarHBondContact O-N 3.27Å
117	N	96.3	Very high	96	Very high	65 Å²	65	36.5 Å²	36.5	35%	0.348	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	167.9	178.9	60.9	-11.2	0	0	0	111.5	M122 V141	N117-M122 WeakPolarHBondContact O-CE 3.34Å; N117-V141 CarbonylContact C-O 3.55Å; N117-V141 VanDerWaalsContact CA-O 3.24Å; N117-V141 WeakPolarHBondContact CA-O 3.42Å
118	L	96.4	Very high	95.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.7	162.6	-67.7	175.8	0	0	0	109.3	M122 V134 I139 V141 V142 T143 F147 L158	L118-M122 HydrophobicContact CD2-CE 4.17Å; L118-V134 HydrophobicContact CD1-CG2 4.32Å; L118-I139 HydrophobicContact CD1-CD1 3.97Å; L118-I139 HydrophobicContact CD2-CD1 4.4Å; L118-I139 HydrophobicContact CG-CD1 3.97Å; L118-I139 HydrophobicContact CG-CG2 4.37Å; L118-V141 PolarHBondContact N-O 3.01Å; L118-V142 HydrophobicContact CB-CG1 4.29Å; L118-V142 HydrophobicContact CB-CG2 4.31Å; L118-V142 HydrophobicContact CD1-CG2 4.28Å; L118-T143 PolarHBondContact O-N 2.99Å; L118-F147 HydrophobicContact CD1-CE1 4.34Å; L118-F147 HydrophobicContact CD1-CZ 4.23Å; L118-L158 HydrophobicContact CD1-CD2 4Å
119	T	95.3	Very high	95.9	Very high	34 Å²	34	42.2 Å²	42.2	21%	0.209	21%	0.208	C	C	.	.			trans	-119.2	160.5	177.8	71.9	0	0	0	0	111.1	D96 G121 M122 T143	D96-T119 PolarHBondContact OD1-OG1 3.46Å; T119-G121 VanDerWaalsContact C-N 3.27Å; T119-G121 PolarHBondContact O-N 3.34Å; T119-G121 PolarHBondContact OG1-N 2.76Å; T119-M122 HydrophobicContact CG2-SD 4.11Å; T119-M122 PolarHBondContact O-N 2.95Å; T119-M122 VanDerWaalsContact OG1-CG 3.24Å; T119-M122 WeakPolarHBondContact OG1-CG 3.07Å; T119-M122 PolarHBondContact OG1-N 2.92Å; T119-M122 VanDerWaalsContact OG1-N 3.11Å; T119-T143 WeakPolarHBondContact CA-OG1 3.31Å; T119-T143 HydrophobicContact CG2-CG2 4.31Å
120	E	94.1	Very high	95.8	Very high	73 Å²	73	41.8 Å²	41.8	34%	0.341	21%	0.206	S	C	.	.	H	α-helix	trans	-57.5	-39.2	170.2	178.6	166.8	-148	0	0	112.3	L123 R124 T145 S148	E120-L123 PolarHBondContact O-N 2.78Å; E120-R124 PolarHBondContact O-N 3.24Å; E120-R124 VanDerWaalsContact O-N 3.13Å; E120-T145 WeakPolarHBondContact CB-O 3.32Å; E120-T145 WeakPolarHBondContact OE2-CB 3.49Å; E120-T145 PolarHBondContact OE2-OG1 2.91Å; E120-S148 VanDerWaalsContact CD-OG 3.29Å; E120-S148 WeakPolarHBondContact CG-OG 3.2Å; E120-S148 WeakPolarHBondContact OE1-CB 3.38Å; E120-S148 PolarHBondContact OE1-OG 2.94Å
121	G	94.4	Very high	95.8	Very high	20 Å²	20	45 Å²	45	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-43.5	177.6	0	0	0	0	0	112.8	D96 G97 T119 L123 R124	D96-G121 CarbonylContact C-O 3.2Å; D96-G121 WeakPolarHBondContact OD1-CA 3.42Å; G97-G121 PolarHBondContact N-O 3.21Å; T119-G121 VanDerWaalsContact C-N 3.27Å; T119-G121 PolarHBondContact O-N 3.34Å; T119-G121 PolarHBondContact OG1-N 2.76Å; G121-L123 PolarHBondContact O-N 3.13Å; G121-R124 WeakPolarHBondContact O-CB 3.29Å; G121-R124 PolarHBondContact O-N 3.47Å
122	M	95.8	Very high	95.8	Very high	7 Å²	7	45 Å²	45	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-27.7	178.9	-71.3	165	71.6	0	0	113.3	I94 D96 F99 L115 N117 L118 T119	I94-M122 HydrophobicContact CB-CB 4.4Å; I94-M122 HydrophobicContact CB-CE 3.93Å; I94-M122 HydrophobicContact CB-CG 4.18Å; I94-M122 HydrophobicContact CD1-CE 4.11Å; I94-M122 HydrophobicContact CG1-CE 4.13Å; I94-M122 HydrophobicContact CG2-CB 4.32Å; D96-M122 PolarHBondContact OD1-N 3.22Å; D96-M122 VanDerWaalsContact OD1-N 3.12Å; F99-M122 VanDerWaalsContact CD2-O 3.22Å; F99-M122 WeakPolarHBondContact CD2-O 3.47Å; F99-M122 WeakPolarHBondContact CE2-O 3.32Å; L115-M122 HydrophobicContact CD2-CE 4.37Å; N117-M122 WeakPolarHBondContact O-CE 3.34Å; L118-M122 HydrophobicContact CD2-CE 4.17Å; T119-M122 HydrophobicContact CG2-SD 4.11Å; T119-M122 PolarHBondContact O-N 2.95Å; T119-M122 VanDerWaalsContact OG1-CG 3.24Å; T119-M122 WeakPolarHBondContact OG1-CG 3.07Å; T119-M122 PolarHBondContact OG1-N 2.92Å; T119-M122 VanDerWaalsContact OG1-N 3.11Å
123	L	94.3	Very high	95.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-111.1	5.4	-174.5	-54.2	-176.6	0	0	0	114.2	E120 G121 M126 L132 F147	E120-L123 PolarHBondContact O-N 2.78Å; G121-L123 PolarHBondContact O-N 3.13Å; L123-M126 HydrophobicContact CB-CE 3.78Å; L123-M126 HydrophobicContact CD2-CE 3.55Å; L123-M126 HydrophobicContact CG-CE 4.21Å; L123-M126 WeakPolarHBondContact O-CB 3.05Å; L123-M126 WeakPolarHBondContact O-CG 3.48Å; L123-M126 PolarHBondContact O-N 3.21Å; L123-L132 HydrophobicContact CD1-CD2 4.15Å; L123-F147 HydrophobicContact CD1-CD1 3.73Å; L123-F147 HydrophobicContact CD1-CE1 3.69Å
124	R	94.1	Very high	95.8	Very high	134 Å²	134	41.4 Å²	41.4	51%	0.506	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	139.4	-173.4	-163.3	177.7	-174.9	179.6	2.9	114	L100 E120 G121 M126 E149	L100-R124 HydrophobicContact CD2-CB 4.47Å; L100-R124 HydrophobicContact CD2-CG 4.1Å; E120-R124 PolarHBondContact O-N 3.24Å; E120-R124 VanDerWaalsContact O-N 3.13Å; G121-R124 WeakPolarHBondContact O-CB 3.29Å; G121-R124 PolarHBondContact O-N 3.47Å; R124-M126 VanDerWaalsContact C-N 3.34Å; R124-E149 HydrophobicContact CG-CG 4.1Å; R124-E149 VanDerWaalsContact CG-OE2 3.25Å; R124-E149 WeakPolarHBondContact CG-OE2 3.36Å
125	G	88.2	Confident	95.8	Very high	18 Å²	18	38.8 Å²	38.8	19%	0.186	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-7	178.6	0	0	0	0	0	115.8	S127 E149	G125-S127 PolarHBondContact O-N 3.06Å; G125-E149 PolarHBondContact N-OE2 3.49Å
126	M	93.5	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.			trans	-79.9	45.8	-175.9	-65.2	-154.8	-69.2	0	0	114.2	F99 L105 L108 L123 R124 R128 L129 E149	F99-M126 HydrophobicContact CB-CG 3.61Å; F99-M126 HydrophobicContact CB-SD 3.75Å; F99-M126 HydrophobicContact CD1-SD 4.21Å; F99-M126 HydrophobicContact CD2-CE 3.88Å; F99-M126 HydrophobicContact CD2-CG 4.47Å; F99-M126 HydrophobicContact CD2-SD 3.8Å; F99-M126 HydrophobicContact CE2-CE 4.28Å; F99-M126 HydrophobicContact CE2-SD 4.46Å; F99-M126 HydrophobicContact CG-CE 4.36Å; F99-M126 HydrophobicContact CG-CG 4.2Å; F99-M126 HydrophobicContact CG-SD 3.66Å; L105-M126 HydrophobicContact CD2-SD 3.78Å; L108-M126 HydrophobicContact CD2-CE 3.77Å; L108-M126 HydrophobicContact CD2-SD 3.99Å; L123-M126 HydrophobicContact CB-CE 3.78Å; L123-M126 HydrophobicContact CD2-CE 3.55Å; L123-M126 HydrophobicContact CG-CE 4.21Å; L123-M126 WeakPolarHBondContact O-CB 3.05Å; L123-M126 WeakPolarHBondContact O-CG 3.48Å; L123-M126 PolarHBondContact O-N 3.21Å; R124-M126 VanDerWaalsContact C-N 3.34Å; M126-R128 PolarHBondContact O-N 3.08Å; M126-L129 HydrophobicContact CB-CB 4.07Å; M126-L129 HydrophobicContact CB-CD2 4.46Å; M126-L129 HydrophobicContact CE-CD2 3.73Å; M126-L129 VanDerWaalsContact O-CB 3.31Å; M126-L129 WeakPolarHBondContact O-CB 3.29Å; M126-L129 PolarHBondContact O-N 2.96Å; M126-L129 HydrophobicContact SD-CD2 4.2Å; M126-E149 CarbonylContact C-O 3.59Å
127	S	92.9	Very high	95.8	Very high	58 Å²	58	39.4 Å²	39.4	41%	0.406	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-26.3	-174.7	60.8	0	0	0	0	115.6	G125 E149 S152	G125-S127 PolarHBondContact O-N 3.06Å; S127-E149 WeakPolarHBondContact CA-O 3.4Å; S127-E149 PolarHBondContact N-O 2.91Å; S127-S152 VanDerWaalsContact O-CB 3.31Å; S127-S152 WeakPolarHBondContact O-CB 3.19Å; S127-S152 PolarHBondContact O-OG 2.88Å
128	R	96.1	Very high	95.9	Very high	143 Å²	143	39.8 Å²	39.8	54%	0.54	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.2	-178.6	-71.3	-175.2	170.2	173.3	-4.2	115	S103 L105 M126 Q130	S103-R128 WeakPolarHBondContact O-CD 3.26Å; S103-R128 WeakPolarHBondContact O-CG 3.42Å; L105-R128 CarbonylContact O-C 3.59Å; M126-R128 PolarHBondContact O-N 3.08Å; R128-Q130 PolarHBondContact O-N 2.95Å
129	L	97.4	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.			trans	-66	123.9	-176.7	-172.8	72.7	0	0	0	110.7	L105 L108 M126 L132 S152 L153	L105-L129 HydrophobicContact CD2-CD1 4.29Å; L105-L129 HydrophobicContact CG-CD1 4.41Å; L105-L129 VanDerWaalsContact O-CA 3.27Å; L105-L129 WeakPolarHBondContact O-CA 3.39Å; L105-L129 PolarHBondContact O-N 2.96Å; L105-L129 VanDerWaalsContact O-N 3.08Å; L108-L129 HydrophobicContact CB-CD1 3.77Å; M126-L129 HydrophobicContact CB-CB 4.07Å; M126-L129 HydrophobicContact CB-CD2 4.46Å; M126-L129 HydrophobicContact CE-CD2 3.73Å; M126-L129 VanDerWaalsContact O-CB 3.31Å; M126-L129 WeakPolarHBondContact O-CB 3.29Å; M126-L129 PolarHBondContact O-N 2.96Å; M126-L129 HydrophobicContact SD-CD2 4.2Å; L129-L132 HydrophobicContact CD2-CB 4.22Å; L129-L132 HydrophobicContact CD2-CD1 4.41Å; L129-S152 CarbonylContact O-C 3.43Å; L129-L153 HydrophobicContact CB-CD2 4.42Å; L129-L153 HydrophobicContact CD2-CD2 3.91Å; L129-L153 HydrophobicContact CG-CD2 3.84Å; L129-L153 VanDerWaalsContact O-CA 3.28Å; L129-L153 WeakPolarHBondContact O-CA 3.31Å; L129-L153 PolarHBondContact O-N 3.05Å
130	Q	97.6	Very high	96	Very high	50 Å²	50	43 Å²	43	23%	0.234	21%	0.206	C	C	.	.			trans	-108.2	-33.2	-179.4	-71.7	163	52.1	0	0	112	Q106 R128 I154 S155	Q106-Q130 PolarHBondContact O-N 3.05Å; R128-Q130 PolarHBondContact O-N 2.95Å; Q130-I154 HydrophobicContact CB-CD1 4.06Å; Q130-I154 HydrophobicContact CB-CG1 4.15Å; Q130-I154 HydrophobicContact CG-CD1 3.87Å; Q130-I154 HydrophobicContact CG-CG1 4.18Å; Q130-I154 PolarHBondContact O-N 2.93Å; Q130-S155 PolarHBondContact O-N 3.31Å
131	F	98	Very high	96.1	Very high	67 Å²	67	43.3 Å²	43.3	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.4	-174.2	-57.9	-91.8	0	0	0	111.2	Q106 V107 L108 F133 S155	Q106-F131 PolarHBondContact O-N 2.65Å; V107-F131 HydrophobicContact CG1-CB 4.35Å; V107-F131 HydrophobicContact CG2-CB 4.28Å; V107-F131 HydrophobicContact CG2-CD2 4.01Å; V107-F131 HydrophobicContact CG2-CG 4.48Å; L108-F131 PolarHBondContact N-O 3.35Å; F131-F133 HydrophobicContact CB-CD2 4.35Å; F131-F133 HydrophobicContact CB-CE2 3.65Å; F131-F133 HydrophobicContact CB-CZ 4.23Å; F131-F133 HydrophobicContact CD1-CZ 4.36Å; F131-F133 HydrophobicContact CG-CE2 4.48Å; F131-S155 WeakPolarHBondContact CA-O 3.36Å
132	L	98.1	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.2	176.9	179.6	60.4	0	0	0	110.7	L108 L123 L129 V134 F147 L153 S155 I156 D157	L108-L132 HydrophobicContact CB-CD1 4.18Å; L108-L132 HydrophobicContact CD2-CD1 3.97Å; L108-L132 HydrophobicContact CG-CD1 4.13Å; L123-L132 HydrophobicContact CD1-CD2 4.15Å; L129-L132 HydrophobicContact CD2-CB 4.22Å; L129-L132 HydrophobicContact CD2-CD1 4.41Å; L132-V134 HydrophobicContact CD1-CG1 3.82Å; L132-V134 HydrophobicContact CG-CG1 4.08Å; L132-F147 HydrophobicContact CD2-CD1 4.36Å; L132-F147 HydrophobicContact CD2-CE1 3.75Å; L132-L153 HydrophobicContact CB-CD2 3.89Å; L132-S155 PolarHBondContact N-O 3.33Å; L132-I156 WeakPolarHBondContact O-CA 3.36Å; L132-D157 PolarHBondContact O-N 3.17Å
133	F	98.3	Very high	96.1	Very high	51 Å²	51	44.4 Å²	44.4	22%	0.224	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	106.5	179.3	-59.9	-83.2	0	0	0	110.1	V107 L108 Q109 L110 G111 F131 D157	V107-F133 HydrophobicContact CG1-CE2 4.34Å; L108-F133 PolarHBondContact O-N 3.06Å; Q109-F133 HydrophobicContact CG-CB 4.5Å; Q109-F133 HydrophobicContact CG-CD2 3.86Å; L110-F133 CarbonylContact C-O 3.14Å; L110-F133 WeakPolarHBondContact CA-O 3.4Å; L110-F133 PolarHBondContact N-O 3.12Å; G111-F133 PolarHBondContact N-O 2.92Å; F131-F133 HydrophobicContact CB-CD2 4.35Å; F131-F133 HydrophobicContact CB-CE2 3.65Å; F131-F133 HydrophobicContact CB-CZ 4.23Å; F131-F133 HydrophobicContact CD1-CZ 4.36Å; F131-F133 HydrophobicContact CG-CE2 4.48Å; F133-D157 HydrophobicContact CD1-CB 3.89Å
134	V	97.9	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.			trans	-125.5	20.5	-177	-71.9	0	0	0	0	111.8	L110 L118 L132 N137 I139 D157 L158 N161	L110-V134 HydrophobicContact CB-CG1 4.02Å; L110-V134 HydrophobicContact CD1-CG1 4.33Å; L118-V134 HydrophobicContact CD1-CG2 4.32Å; L132-V134 HydrophobicContact CD1-CG1 3.82Å; L132-V134 HydrophobicContact CG-CG1 4.08Å; V134-N137 PolarHBondContact O-ND2 2.86Å; V134-I139 HydrophobicContact CB-CD1 4.02Å; V134-I139 HydrophobicContact CG2-CD1 4.23Å; V134-D157 CarbonylContact C-O 3.58Å; V134-D157 WeakPolarHBondContact CG2-O 3.41Å; V134-D157 PolarHBondContact N-O 3.22Å; V134-L158 HydrophobicContact CG2-CD2 3.52Å; V134-L158 HydrophobicContact CG2-CG 3.94Å; V134-N161 PolarHBondContact O-ND2 2.96Å
135	Q	97.5	Very high	95.9	Very high	31 Å²	31	44.3 Å²	44.3	15%	0.145	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	156.2	-178.4	71.4	-76.8	78	0	0	113.1	G111 Y112 N137 D157 S159	G111-Q135 CarbonylContact C-O 3.38Å; G111-Q135 WeakPolarHBondContact CA-O 3.35Å; Y112-Q135 PolarHBondContact N-O 3.36Å; Q135-N137 PolarHBondContact O-N 3.16Å; Q135-N137 PolarHBondContact O-ND2 3.42Å; Q135-D157 WeakPolarHBondContact CG-OD2 3.12Å; Q135-D157 PolarHBondContact N-O 3Å; Q135-D157 PolarHBondContact NE2-OD2 3.09Å; Q135-S159 CarbonylContact C-O 3.58Å; Q135-S159 WeakPolarHBondContact CA-O 3.48Å; Q135-S159 VanDerWaalsContact CB-O 3.31Å; Q135-S159 WeakPolarHBondContact CB-O 3.33Å; Q135-S159 WeakPolarHBondContact CB-OG 3.22Å
136	H	97.9	Very high	96.2	Very high	67 Å²	67	43.5 Å²	43.5	31%	0.31	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	39.1	-177.8	-66.9	-68.9	0	0	0	113.5	Y112 S159 S160	Y112-H136 WeakPolarHBondContact CA-O 3.49Å; Y112-H136 HydrophobicContact CD1-CB 3.59Å; Y112-H136 AromaticContact CD1-CG 3.93Å; Y112-H136 HydrophobicContact CD2-CB 4.44Å; Y112-H136 HydrophobicContact CE1-CB 3.8Å; Y112-H136 AromaticContact CE1-CD2 3.43Å; Y112-H136 VanDerWaalsContact CE1-CD2 3.43Å; Y112-H136 WeakPolarHBondContact CE1-CD2 3.27Å; Y112-H136 AromaticContact CE1-CG 3.58Å; Y112-H136 AromaticContact CE2-CD2 3.93Å; Y112-H136 HydrophobicContact CG-CB 3.96Å; Y112-H136 AromaticContact CZ-CD2 3.3Å; Y112-H136 AromaticContact CZ-CG 3.93Å; Y112-H136 AromaticContact CZ-NE2 3.96Å; Y112-H136 PolarHBondContact OH-CD2 3.12Å; H136-S159 PolarHBondContact N-O 3.11Å; H136-S160 WeakPolarHBondContact CA-O 3.5Å; H136-S160 WeakPolarHBondContact CE1-CB 3.42Å; H136-S160 PolarHBondContact CE1-OG 3.33Å; H136-S160 WeakPolarHBondContact ND1-CB 3.42Å
137	N	98.6	Very high	96.3	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.043	22%	0.223	C	C	.	.	S	Bend	trans	-100.9	-162.6	165.7	-84.9	-88.7	0	0	0	109.7	L110 N113 K114 L115 V134 Q135 I139 N161	L110-N137 PolarHBondContact O-ND2 3.49Å; N113-N137 VanDerWaalsContact CA-OD1 3.3Å; N113-N137 WeakPolarHBondContact CA-OD1 3.24Å; N113-N137 WeakPolarHBondContact CB-OD1 3.46Å; N113-N137 PolarHBondContact O-OD1 3.1Å; K114-N137 PolarHBondContact N-OD1 2.9Å; L115-N137 HydrophobicContact CB-CB 4.27Å; L115-N137 WeakPolarHBondContact CB-OD1 3.29Å; L115-N137 WeakPolarHBondContact CG-OD1 3.28Å; L115-N137 PolarHBondContact N-OD1 3.43Å; V134-N137 PolarHBondContact O-ND2 2.86Å; Q135-N137 PolarHBondContact O-N 3.16Å; Q135-N137 PolarHBondContact O-ND2 3.42Å; N137-I139 HydrophobicContact CB-CD1 4.05Å; N137-I139 HydrophobicContact CB-CG1 3.93Å; N137-N161 VanDerWaalsContact CA-OD1 3.28Å; N137-N161 WeakPolarHBondContact CA-OD1 3.39Å; N137-N161 WeakPolarHBondContact CB-OD1 3.41Å; N137-N161 PolarHBondContact N-OD1 3.4Å; N137-N161 PolarHBondContact O-OD1 3.31Å
138	L	97.9	Very high	96.3	Very high	73 Å²	73	42.7 Å²	42.7	38%	0.382	22%	0.217	S	C	.	.			trans	-116	24.9	179.5	-57.8	172.2	0	0	0	111	K114 L115 E140 N161	K114-L138 HydrophobicContact CB-CD1 4.43Å; L115-L138 CarbonylContact O-C 3.52Å; L115-L138 VanDerWaalsContact O-CA 3.25Å; L115-L138 WeakPolarHBondContact O-CA 3.26Å; L115-L138 WeakPolarHBondContact O-CB 3.46Å; L115-L138 PolarHBondContact O-N 3.5Å; L138-E140 PolarHBondContact O-N 2.67Å; L138-N161 PolarHBondContact N-OD1 3.23Å
139	I	98.2	Very high	96.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.			trans	-68.5	116.3	-166.9	-57.3	164	0	0	0	110	L115 S116 L118 V134 N137 V142 L158 N161 R162 L163	L115-I139 HydrophobicContact CB-CG1 4.17Å; L115-I139 WeakPolarHBondContact O-CG1 3.1Å; L115-I139 PolarHBondContact O-N 3Å; L115-I139 VanDerWaalsContact O-N 3.14Å; S116-I139 WeakPolarHBondContact O-CA 3.4Å; L118-I139 HydrophobicContact CD1-CD1 3.97Å; L118-I139 HydrophobicContact CD2-CD1 4.4Å; L118-I139 HydrophobicContact CG-CD1 3.97Å; L118-I139 HydrophobicContact CG-CG2 4.37Å; V134-I139 HydrophobicContact CB-CD1 4.02Å; V134-I139 HydrophobicContact CG2-CD1 4.23Å; N137-I139 HydrophobicContact CB-CD1 4.05Å; N137-I139 HydrophobicContact CB-CG1 3.93Å; I139-V142 HydrophobicContact CG2-CG2 4.01Å; I139-L158 HydrophobicContact CD1-CD2 4.3Å; I139-N161 HydrophobicContact CB-CB 4.23Å; I139-N161 WeakPolarHBondContact CB-OD1 3.37Å; I139-N161 WeakPolarHBondContact CG1-OD1 3.26Å; I139-N161 PolarHBondContact N-OD1 2.97Å; I139-R162 CarbonylContact O-C 3.52Å; I139-R162 VanDerWaalsContact O-CA 3.28Å; I139-R162 WeakPolarHBondContact O-CA 3.16Å; I139-R162 WeakPolarHBondContact O-CB 3.3Å; I139-R162 PolarHBondContact O-N 2.91Å; I139-L163 HydrophobicContact CB-CD2 4.41Å; I139-L163 HydrophobicContact CG2-CD2 3.81Å; I139-L163 WeakPolarHBondContact O-CD2 3.32Å; I139-L163 PolarHBondContact O-N 3.23Å; I139-L163 VanDerWaalsContact O-N 3.14Å
140	E	96.1	Very high	95.9	Very high	102 Å²	102	39.3 Å²	39.3	48%	0.477	21%	0.208	S	C	.	.			trans	-99	-30.3	178.3	-72.7	176	-177.6	0	0	112.1	S116 L138 R162	S116-E140 PolarHBondContact O-N 3.27Å; L138-E140 PolarHBondContact O-N 2.67Å; E140-R162 HydrophobicContact CB-CB 4.46Å; E140-R162 HydrophobicContact CG-CB 3.46Å; E140-R162 VanDerWaalsContact CG-CB 3.46Å; E140-R162 HydrophobicContact CG-CG 4.38Å; E140-R162 WeakPolarHBondContact OE1-CD 3.26Å
141	V	94.3	Very high	95.7	Very high	79 Å²	79	39.9 Å²	39.9	48%	0.479	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.7	-176.1	-177.7	0	0	0	0	111.4	N117 L118	N117-V141 CarbonylContact C-O 3.55Å; N117-V141 VanDerWaalsContact CA-O 3.24Å; N117-V141 WeakPolarHBondContact CA-O 3.42Å; L118-V141 PolarHBondContact N-O 3.01Å
142	V	96.5	Very high	95.6	Very high	11 Å²	11	38.7 Å²	38.7	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.5	165.6	-177.8	0	0	0	0	107.3	L118 I139 A146 F147 L158 L163 L166 T170	L118-V142 HydrophobicContact CB-CG1 4.29Å; L118-V142 HydrophobicContact CB-CG2 4.31Å; L118-V142 HydrophobicContact CD1-CG2 4.28Å; I139-V142 HydrophobicContact CG2-CG2 4.01Å; V142-A146 HydrophobicContact CG1-CB 3.53Å; V142-F147 HydrophobicContact CG1-CE2 3.85Å; V142-F147 HydrophobicContact CG1-CZ 3.92Å; V142-L158 HydrophobicContact CG2-CD2 4.43Å; V142-L163 HydrophobicContact CG2-CD2 3.81Å; V142-L166 HydrophobicContact CB-CD2 4.07Å; V142-L166 HydrophobicContact CG2-CD2 4.14Å; V142-T170 HydrophobicContact CB-CG2 4.47Å; V142-T170 HydrophobicContact CG1-CG2 3.7Å
143	T	93.6	Very high	95.5	Very high	39 Å²	39	38.7 Å²	38.7	24%	0.239	22%	0.216	C	C	.	.			trans	-69.6	148.3	179.3	55.6	0	0	0	0	111.5	L118 T119 T145 A146	L118-T143 PolarHBondContact O-N 2.99Å; T119-T143 WeakPolarHBondContact CA-OG1 3.31Å; T119-T143 HydrophobicContact CG2-CG2 4.31Å; T143-T145 PolarHBondContact O-N 3.07Å; T143-A146 WeakPolarHBondContact O-CB 3.3Å; T143-A146 PolarHBondContact O-N 2.99Å; T143-A146 WeakPolarHBondContact OG1-CB 3.21Å; T143-A146 PolarHBondContact OG1-N 3.07Å
144	P	92.3	Very high	95.4	Very high	68 Å²	68	38.5 Å²	38.5	44%	0.442	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.1	176.9	-28.8	36.9	0	0	0	114.9	D167 A169 T170	P144-D167 HydrophobicContact CG-CB 4.33Å; P144-A169 HydrophobicContact CB-CB 4.38Å; P144-T170 WeakPolarHBondContact O-CA 3.38Å
145	T	93.4	Very high	95.2	Very high	66 Å²	66	39.2 Å²	39.2	41%	0.405	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8.7	175.2	57.2	0	0	0	0	114.1	E120 T143 F147 S148	E120-T145 WeakPolarHBondContact CB-O 3.32Å; E120-T145 WeakPolarHBondContact OE2-CB 3.49Å; E120-T145 PolarHBondContact OE2-OG1 2.91Å; T143-T145 PolarHBondContact O-N 3.07Å; T145-F147 PolarHBondContact O-N 3.39Å; T145-S148 WeakPolarHBondContact O-CB 3.41Å; T145-S148 PolarHBondContact O-N 3.38Å; T145-S148 PolarHBondContact O-OG 3.47Å
146	A	94.4	Very high	95	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.7	-172	0	0	0	0	0	114.5	V142 T143	V142-A146 HydrophobicContact CG1-CB 3.53Å; T143-A146 WeakPolarHBondContact O-CB 3.3Å; T143-A146 PolarHBondContact O-N 2.99Å; T143-A146 WeakPolarHBondContact OG1-CB 3.21Å; T143-A146 PolarHBondContact OG1-N 3.07Å
147	F	94.9	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	22.4	-178.8	-45	-60.9	0	0	0	113.1	L118 L123 L132 V142 T145 C150 L153 I156 T170 F171 S173 L174	L118-F147 HydrophobicContact CD1-CE1 4.34Å; L118-F147 HydrophobicContact CD1-CZ 4.23Å; L123-F147 HydrophobicContact CD1-CD1 3.73Å; L123-F147 HydrophobicContact CD1-CE1 3.69Å; L132-F147 HydrophobicContact CD2-CD1 4.36Å; L132-F147 HydrophobicContact CD2-CE1 3.75Å; V142-F147 HydrophobicContact CG1-CE2 3.85Å; V142-F147 HydrophobicContact CG1-CZ 3.92Å; T145-F147 PolarHBondContact O-N 3.39Å; F147-C150 PolarHBondContact O-N 2.89Å; F147-L153 HydrophobicContact CB-CD1 4.34Å; F147-L153 HydrophobicContact CD1-CD1 4.2Å; F147-L153 HydrophobicContact CG-CD1 4.44Å; F147-I156 HydrophobicContact CD2-CD1 4.36Å; F147-I156 HydrophobicContact CE2-CD1 4.27Å; F147-I156 HydrophobicContact CZ-CD1 4.42Å; F147-T170 HydrophobicContact CD2-CG2 3.99Å; F147-T170 HydrophobicContact CE2-CG2 3.81Å; F147-F171 HydrophobicContact CD2-CD1 4.39Å; F147-F171 HydrophobicContact CD2-CE1 4.39Å; F147-F171 HydrophobicContact CE2-CD1 4.38Å; F147-F171 AromaticContact CE2-CE1 3.93Å; F147-F171 HydrophobicContact CE2-CE1 3.93Å; F147-S173 PolarHBondContact O-OG 3.25Å; F147-L174 HydrophobicContact CB-CD1 3.81Å; F147-L174 HydrophobicContact CB-CD2 3.89Å; F147-L174 HydrophobicContact CB-CG 4.14Å; F147-L174 HydrophobicContact CD2-CD1 4.13Å; F147-L174 HydrophobicContact CG-CD1 4.16Å; F147-L174 WeakPolarHBondContact O-CD2 3.46Å
148	S	92.2	Very high	94.7	Very high	40 Å²	40	35.3 Å²	35.3	28%	0.28	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-45.8	175.7	57.9	0	0	0	0	112	E120 T145 C150	E120-S148 VanDerWaalsContact CD-OG 3.29Å; E120-S148 WeakPolarHBondContact CG-OG 3.2Å; E120-S148 WeakPolarHBondContact OE1-CB 3.38Å; E120-S148 PolarHBondContact OE1-OG 2.94Å; T145-S148 WeakPolarHBondContact O-CB 3.41Å; T145-S148 PolarHBondContact O-N 3.38Å; T145-S148 PolarHBondContact O-OG 3.47Å; S148-C150 VanDerWaalsContact C-N 3.25Å; S148-C150 PolarHBondContact O-N 3.4Å
149	E	92.1	Very high	94.6	Very high	73 Å²	73	32.8 Å²	32.8	34%	0.341	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.5	-177.6	-68.9	-95.8	132.4	0	0	113.7	R124 G125 M126 S127 P151	R124-E149 HydrophobicContact CG-CG 4.1Å; R124-E149 VanDerWaalsContact CG-OE2 3.25Å; R124-E149 WeakPolarHBondContact CG-OE2 3.36Å; G125-E149 PolarHBondContact N-OE2 3.49Å; M126-E149 CarbonylContact C-O 3.59Å; S127-E149 WeakPolarHBondContact CA-O 3.4Å; S127-E149 PolarHBondContact N-O 2.91Å; E149-P151 VanDerWaalsContact O-CD 3.32Å; E149-P151 WeakPolarHBondContact O-CD 3.43Å
150	C	94.8	Very high	94.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.			trans	-119	48	-175.5	-58.1	0	0	0	0	113.5	F147 S148 S152 L153 L174	F147-C150 PolarHBondContact O-N 2.89Å; S148-C150 VanDerWaalsContact C-N 3.25Å; S148-C150 PolarHBondContact O-N 3.4Å; C150-S152 PolarHBondContact O-N 3.07Å; C150-S152 VanDerWaalsContact O-N 3.08Å; C150-L153 HydrophobicContact CB-CD1 3.47Å; C150-L153 VanDerWaalsContact CB-CD1 3.47Å; C150-L153 HydrophobicContact CB-CG 3.92Å; C150-L153 WeakPolarHBondContact O-CG 3.09Å; C150-L153 PolarHBondContact O-N 2.99Å; C150-L174 VanDerWaalsContact O-CD2 3.26Å; C150-L174 WeakPolarHBondContact O-CD2 3.28Å
151	P	93.6	Very high	94.5	Very high	61 Å²	61	30.4 Å²	30.4	40%	0.396	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.3	-171.4	29.1	-37.8	0	0	0	114.6	E149 L153	E149-P151 VanDerWaalsContact O-CD 3.32Å; E149-P151 WeakPolarHBondContact O-CD 3.43Å; P151-L153 VanDerWaalsContact C-N 3.3Å; P151-L153 PolarHBondContact O-N 3.18Å
152	S	95.5	Very high	94.7	Very high	42 Å²	42	32.8 Å²	32.8	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1.5	179.5	-57.5	0	0	0	0	114.2	S127 L129 C150 I154	S127-S152 VanDerWaalsContact O-CB 3.31Å; S127-S152 WeakPolarHBondContact O-CB 3.19Å; S127-S152 PolarHBondContact O-OG 2.88Å; L129-S152 CarbonylContact O-C 3.43Å; C150-S152 PolarHBondContact O-N 3.07Å; C150-S152 VanDerWaalsContact O-N 3.08Å; S152-I154 PolarHBondContact O-N 3.16Å
153	L	95.8	Very high	94.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.			trans	-64.1	124.1	-175	-83.8	169.6	0	0	0	112.1	L129 L132 F147 C150 P151 I156 L174 S176 L177	L129-L153 HydrophobicContact CB-CD2 4.42Å; L129-L153 HydrophobicContact CD2-CD2 3.91Å; L129-L153 HydrophobicContact CG-CD2 3.84Å; L129-L153 VanDerWaalsContact O-CA 3.28Å; L129-L153 WeakPolarHBondContact O-CA 3.31Å; L129-L153 PolarHBondContact O-N 3.05Å; L132-L153 HydrophobicContact CB-CD2 3.89Å; F147-L153 HydrophobicContact CB-CD1 4.34Å; F147-L153 HydrophobicContact CD1-CD1 4.2Å; F147-L153 HydrophobicContact CG-CD1 4.44Å; C150-L153 HydrophobicContact CB-CD1 3.47Å; C150-L153 VanDerWaalsContact CB-CD1 3.47Å; C150-L153 HydrophobicContact CB-CG 3.92Å; C150-L153 WeakPolarHBondContact O-CG 3.09Å; C150-L153 PolarHBondContact O-N 2.99Å; P151-L153 VanDerWaalsContact C-N 3.3Å; P151-L153 PolarHBondContact O-N 3.18Å; L153-I156 HydrophobicContact CD1-CD1 4.04Å; L153-I156 HydrophobicContact CD1-CG1 4.21Å; L153-I156 HydrophobicContact CD2-CG1 4.39Å; L153-L174 HydrophobicContact CB-CD1 4.43Å; L153-L174 HydrophobicContact CB-CD2 4.28Å; L153-L174 HydrophobicContact CD1-CD1 4.23Å; L153-L174 HydrophobicContact CD1-CD2 4.31Å; L153-S176 CarbonylContact O-C 3.48Å; L153-L177 HydrophobicContact CB-CD1 4.36Å; L153-L177 WeakPolarHBondContact O-CA 3.17Å; L153-L177 PolarHBondContact O-N 2.97Å; L153-L177 VanDerWaalsContact O-N 3.14Å
154	I	94.8	Very high	94.6	Very high	48 Å²	48	32.7 Å²	32.7	25%	0.246	19%	0.188	C	C	.	.			trans	-102.6	-35.9	177.6	-55.1	178.5	0	0	0	110.3	Q130 S152 M178 V179	Q130-I154 HydrophobicContact CB-CD1 4.06Å; Q130-I154 HydrophobicContact CB-CG1 4.15Å; Q130-I154 HydrophobicContact CG-CD1 3.87Å; Q130-I154 HydrophobicContact CG-CG1 4.18Å; Q130-I154 PolarHBondContact O-N 2.93Å; S152-I154 PolarHBondContact O-N 3.16Å; I154-M178 HydrophobicContact CG2-CB 4.17Å; I154-M178 HydrophobicContact CG2-CG 4.01Å; I154-M178 HydrophobicContact CG2-SD 3.91Å; I154-M178 PolarHBondContact O-N 3.19Å; I154-V179 PolarHBondContact O-N 3.29Å
155	S	93.9	Very high	94.6	Very high	14 Å²	14	36.3 Å²	36.3	10%	0.098	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	128.7	-176.1	-176.9	0	0	0	0	112.3	Q130 F131 L132 V179	Q130-S155 PolarHBondContact O-N 3.31Å; F131-S155 WeakPolarHBondContact CA-O 3.36Å; L132-S155 PolarHBondContact N-O 3.33Å; S155-V179 WeakPolarHBondContact CA-O 3.37Å
156	I	94.7	Very high	94.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.6	171.1	-60.3	169.9	0	0	0	108.7	L132 F147 L153 L158 F171 L174 L177 V179 C180 E181	L132-I156 WeakPolarHBondContact O-CA 3.36Å; F147-I156 HydrophobicContact CD2-CD1 4.36Å; F147-I156 HydrophobicContact CE2-CD1 4.27Å; F147-I156 HydrophobicContact CZ-CD1 4.42Å; L153-I156 HydrophobicContact CD1-CD1 4.04Å; L153-I156 HydrophobicContact CD1-CG1 4.21Å; L153-I156 HydrophobicContact CD2-CG1 4.39Å; I156-L158 HydrophobicContact CG2-CD1 3.69Å; I156-L158 HydrophobicContact CG2-CG 3.73Å; I156-F171 HydrophobicContact CD1-CD1 4.4Å; I156-F171 HydrophobicContact CD1-CE1 4.29Å; I156-L174 HydrophobicContact CD1-CD1 3.68Å; I156-L177 HydrophobicContact CB-CD1 4.49Å; I156-L177 HydrophobicContact CD1-CD1 3.82Å; I156-L177 HydrophobicContact CD1-CD2 4.33Å; I156-L177 HydrophobicContact CG1-CD1 3.81Å; I156-V179 PolarHBondContact N-O 3.48Å; I156-C180 CarbonylContact O-C 3.54Å; I156-C180 WeakPolarHBondContact O-CA 3.46Å; I156-E181 PolarHBondContact O-N 2.85Å
157	D	95.2	Very high	94.2	Very high	25 Å²	25	37 Å²	37	13%	0.134	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	103.6	168.5	-174.2	2.5	0	0	0	110.4	L132 F133 V134 Q135 S159 E181	L132-D157 PolarHBondContact O-N 3.17Å; F133-D157 HydrophobicContact CD1-CB 3.89Å; V134-D157 CarbonylContact C-O 3.58Å; V134-D157 WeakPolarHBondContact CG2-O 3.41Å; V134-D157 PolarHBondContact N-O 3.22Å; Q135-D157 WeakPolarHBondContact CG-OD2 3.12Å; Q135-D157 PolarHBondContact N-O 3Å; Q135-D157 PolarHBondContact NE2-OD2 3.09Å; D157-S159 WeakPolarHBondContact OD1-CB 3.32Å; D157-S159 PolarHBondContact OD1-N 3.24Å; D157-S159 PolarHBondContact OD1-OG 2.95Å; D157-E181 HydrophobicContact CB-CB 4.38Å
158	L	95.4	Very high	93.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.			trans	-104.6	11.5	176.3	-80.4	159.8	0	0	0	111.5	L118 V134 I139 V142 I156 N161 L163 F171 E181 L182 N185	L118-L158 HydrophobicContact CD1-CD2 4Å; V134-L158 HydrophobicContact CG2-CD2 3.52Å; V134-L158 HydrophobicContact CG2-CG 3.94Å; I139-L158 HydrophobicContact CD1-CD2 4.3Å; V142-L158 HydrophobicContact CG2-CD2 4.43Å; I156-L158 HydrophobicContact CG2-CD1 3.69Å; I156-L158 HydrophobicContact CG2-CG 3.73Å; L158-N161 PolarHBondContact O-ND2 2.88Å; L158-L163 HydrophobicContact CB-CD1 4.1Å; L158-L163 HydrophobicContact CD1-CD1 4.5Å; L158-L163 HydrophobicContact CD2-CD1 4.23Å; L158-F171 HydrophobicContact CD1-CE1 4.46Å; L158-F171 HydrophobicContact CD1-CZ 4.37Å; L158-E181 CarbonylContact C-O 3.55Å; L158-E181 WeakPolarHBondContact CA-O 3.31Å; L158-E181 PolarHBondContact N-O 2.95Å; L158-L182 HydrophobicContact CB-CD2 3.78Å; L158-L182 HydrophobicContact CD1-CD2 4.17Å; L158-N185 PolarHBondContact O-ND2 3.05Å
159	S	94.4	Very high	93.2	Very high	19 Å²	19	38 Å²	38	13%	0.133	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	153.3	-175	67.9	0	0	0	0	113.5	Q135 H136 D157 N161 E181 A183	Q135-S159 CarbonylContact C-O 3.58Å; Q135-S159 WeakPolarHBondContact CA-O 3.48Å; Q135-S159 VanDerWaalsContact CB-O 3.31Å; Q135-S159 WeakPolarHBondContact CB-O 3.33Å; Q135-S159 WeakPolarHBondContact CB-OG 3.22Å; H136-S159 PolarHBondContact N-O 3.11Å; D157-S159 WeakPolarHBondContact OD1-CB 3.32Å; D157-S159 PolarHBondContact OD1-N 3.24Å; D157-S159 PolarHBondContact OD1-OG 2.95Å; S159-N161 VanDerWaalsContact C-N 3.33Å; S159-N161 PolarHBondContact O-N 3.43Å; S159-N161 PolarHBondContact O-ND2 3.46Å; S159-E181 PolarHBondContact N-O 3.31Å; S159-A183 CarbonylContact C-O 3.49Å; S159-A183 VanDerWaalsContact CA-O 3.29Å; S159-A183 WeakPolarHBondContact CA-O 3.19Å; S159-A183 VanDerWaalsContact CB-O 3.26Å; S159-A183 WeakPolarHBondContact CB-O 3.22Å
160	S	95.5	Very high	93.2	Very high	43 Å²	43	34.6 Å²	34.6	30%	0.301	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	43.9	179.9	-52.2	0	0	0	0	114.4	H136 A183 G184	H136-S160 WeakPolarHBondContact CA-O 3.5Å; H136-S160 WeakPolarHBondContact CE1-CB 3.42Å; H136-S160 PolarHBondContact CE1-OG 3.33Å; H136-S160 WeakPolarHBondContact ND1-CB 3.42Å; S160-A183 PolarHBondContact N-O 3.34Å; S160-G184 WeakPolarHBondContact CA-O 3.47Å
161	N	97.9	Very high	92.9	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	19%	0.191	C	C	.	.	S	Bend	trans	-107.1	-160.9	172.4	-86.9	-74.2	0	0	0	110.4	V134 N137 L138 I139 L158 S159 L163 N185	V134-N161 PolarHBondContact O-ND2 2.96Å; N137-N161 VanDerWaalsContact CA-OD1 3.28Å; N137-N161 WeakPolarHBondContact CA-OD1 3.39Å; N137-N161 WeakPolarHBondContact CB-OD1 3.41Å; N137-N161 PolarHBondContact N-OD1 3.4Å; N137-N161 PolarHBondContact O-OD1 3.31Å; L138-N161 PolarHBondContact N-OD1 3.23Å; I139-N161 HydrophobicContact CB-CB 4.23Å; I139-N161 WeakPolarHBondContact CB-OD1 3.37Å; I139-N161 WeakPolarHBondContact CG1-OD1 3.26Å; I139-N161 PolarHBondContact N-OD1 2.97Å; L158-N161 PolarHBondContact O-ND2 2.88Å; S159-N161 VanDerWaalsContact C-N 3.33Å; S159-N161 PolarHBondContact O-N 3.43Å; S159-N161 PolarHBondContact O-ND2 3.46Å; N161-L163 HydrophobicContact CB-CG 4.26Å; N161-N185 VanDerWaalsContact CA-OD1 3.25Å; N161-N185 WeakPolarHBondContact CA-OD1 3.35Å; N161-N185 WeakPolarHBondContact CB-OD1 3.48Å; N161-N185 PolarHBondContact N-OD1 2.66Å; N161-N185 PolarHBondContact O-OD1 3.1Å
162	R	97	Very high	92.4	Very high	129 Å²	129	35.6 Å²	35.6	49%	0.487	20%	0.203	S	C	.	.			trans	-115.5	23.3	-178.6	-64.7	179.3	169	-97.1	-10.5	112.6	I139 E140 S164 N185	I139-R162 CarbonylContact O-C 3.52Å; I139-R162 VanDerWaalsContact O-CA 3.28Å; I139-R162 WeakPolarHBondContact O-CA 3.16Å; I139-R162 WeakPolarHBondContact O-CB 3.3Å; I139-R162 PolarHBondContact O-N 2.91Å; E140-R162 HydrophobicContact CB-CB 4.46Å; E140-R162 HydrophobicContact CG-CB 3.46Å; E140-R162 VanDerWaalsContact CG-CB 3.46Å; E140-R162 HydrophobicContact CG-CG 4.38Å; E140-R162 WeakPolarHBondContact OE1-CD 3.26Å; R162-S164 PolarHBondContact O-N 2.91Å; R162-N185 PolarHBondContact N-OD1 2.99Å
163	L	95.6	Very high	91.9	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.			trans	-65.6	107.7	-176.1	-57.4	172	0	0	0	110.6	I139 V142 L158 N161 L166 L182 N185 P186	I139-L163 HydrophobicContact CB-CD2 4.41Å; I139-L163 HydrophobicContact CG2-CD2 3.81Å; I139-L163 WeakPolarHBondContact O-CD2 3.32Å; I139-L163 PolarHBondContact O-N 3.23Å; I139-L163 VanDerWaalsContact O-N 3.14Å; V142-L163 HydrophobicContact CG2-CD2 3.81Å; L158-L163 HydrophobicContact CB-CD1 4.1Å; L158-L163 HydrophobicContact CD1-CD1 4.5Å; L158-L163 HydrophobicContact CD2-CD1 4.23Å; N161-L163 HydrophobicContact CB-CG 4.26Å; L163-L166 HydrophobicContact CD1-CD1 4.31Å; L163-L166 HydrophobicContact CD1-CD2 4.32Å; L163-L166 HydrophobicContact CD2-CD2 4.41Å; L163-L182 HydrophobicContact CD1-CD2 4.21Å; L163-N185 HydrophobicContact CB-CB 4.07Å; L163-N185 WeakPolarHBondContact CB-OD1 3.17Å; L163-N185 WeakPolarHBondContact CG-OD1 3.42Å; L163-N185 PolarHBondContact N-OD1 2.94Å; L163-P186 CarbonylContact O-C 3.59Å
164	S	93.9	Very high	91.6	Very high	47 Å²	47	36.5 Å²	36.5	33%	0.329	21%	0.209	S	C	.	.	S	Bend	trans	-86.1	-32.5	171.8	57.7	0	0	0	0	111.9	R162 P186 N188	R162-S164 PolarHBondContact O-N 2.91Å; S164-P186 WeakPolarHBondContact CA-O 3.27Å; S164-N188 PolarHBondContact O-N 2.93Å
165	R	90.8	Very high	91.3	Very high	144 Å²	144	39.2 Å²	39.2	54%	0.543	24%	0.238	S	C	.	.			trans	-142.3	151.5	176.9	60.3	-178.8	175.9	-175.4	-1.8	112	D192	R165-D192 IonicContact CZ-OD2 2.79Å; R165-D192 IonicContact NH1-OD2 3.05Å; R165-D192 PolarHBondContact NH1-OD2 3.03Å
166	L	92.3	Very high	91.1	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	25%	0.254	C	S	.	.			trans	-134.9	151.6	169.1	-73.5	171.7	0	0	0	107.5	V142 L163 F171 L182 F187 F196	V142-L166 HydrophobicContact CB-CD2 4.07Å; V142-L166 HydrophobicContact CG2-CD2 4.14Å; L163-L166 HydrophobicContact CD1-CD1 4.31Å; L163-L166 HydrophobicContact CD1-CD2 4.32Å; L163-L166 HydrophobicContact CD2-CD2 4.41Å; L166-F171 HydrophobicContact CD1-CE2 4.13Å; L166-F171 HydrophobicContact CD1-CZ 4.16Å; L166-L182 HydrophobicContact CD1-CD1 4.44Å; L166-L182 HydrophobicContact CD1-CD2 3.86Å; L166-F187 HydrophobicContact CD1-CE1 4.27Å; L166-F196 HydrophobicContact CB-CB 4.13Å; L166-F196 HydrophobicContact CB-CD1 4.34Å; L166-F196 HydrophobicContact CB-CD2 3.79Å; L166-F196 HydrophobicContact CB-CE2 4.39Å; L166-F196 HydrophobicContact CB-CG 3.78Å; L166-F196 HydrophobicContact CD1-CD2 4.15Å; L166-F196 HydrophobicContact CD1-CE2 3.89Å; L166-F196 HydrophobicContact CD1-CZ 4.11Å; L166-F196 VanDerWaalsContact O-CB 3.22Å; L166-F196 WeakPolarHBondContact O-CB 3.32Å
167	D	89.1	Confident	90.9	Very high	75 Å²	75	42.3 Å²	42.3	40%	0.401	26%	0.258	S	S	.	.			trans	-90.8	149	171	-162.3	-32.6	0	0	0	109.3	P144 A169 T170	P144-D167 HydrophobicContact CG-CB 4.33Å; D167-A169 HydrophobicContact CB-CB 4.43Å; D167-A169 PolarHBondContact O-N 3.42Å; D167-A169 WeakPolarHBondContact OD1-CB 3.48Å; D167-A169 PolarHBondContact OD1-N 2.96Å; D167-T170 WeakPolarHBondContact O-CB 3.48Å; D167-T170 PolarHBondContact O-N 3.18Å; D167-T170 PolarHBondContact O-OG1 3.41Å
168	G	79.1	Confident	90.6	Very high	14 Å²	14	45.6 Å²	45.6	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	-65.5	-27.7	166.9	0	0	0	0	0	111.8	T170	G168-T170 VanDerWaalsContact C-N 3.3Å; G168-T170 PolarHBondContact O-N 2.93Å
169	A	86.4	Confident	90.4	Very high	47 Å²	47	47.2 Å²	47.2	39%	0.388	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65.6	-28.5	174.7	0	0	0	0	0	113.4	P144 D167 F171 A172	P144-A169 HydrophobicContact CB-CB 4.38Å; D167-A169 HydrophobicContact CB-CB 4.43Å; D167-A169 PolarHBondContact O-N 3.42Å; D167-A169 WeakPolarHBondContact OD1-CB 3.48Å; D167-A169 PolarHBondContact OD1-N 2.96Å; A169-F171 PolarHBondContact O-N 3.05Å; A169-A172 WeakPolarHBondContact O-CB 3.26Å; A169-A172 PolarHBondContact O-N 2.84Å
170	T	90.8	Very high	90.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-53.6	-30.5	-176.6	-62.4	0	0	0	0	113.7	V142 P144 F147 D167 G168	V142-T170 HydrophobicContact CB-CG2 4.47Å; V142-T170 HydrophobicContact CG1-CG2 3.7Å; P144-T170 WeakPolarHBondContact O-CA 3.38Å; F147-T170 HydrophobicContact CD2-CG2 3.99Å; F147-T170 HydrophobicContact CE2-CG2 3.81Å; D167-T170 WeakPolarHBondContact O-CB 3.48Å; D167-T170 PolarHBondContact O-N 3.18Å; D167-T170 PolarHBondContact O-OG1 3.41Å; G168-T170 VanDerWaalsContact C-N 3.3Å; G168-T170 PolarHBondContact O-N 2.93Å
171	F	88.7	Confident	89.9	Confident	3 Å²	3	46 Å²	46	1%	0.013	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-110.9	4.6	-177.1	-53.4	-80.5	0	0	0	113.2	F147 I156 L158 L166 A169 S173 L174 L177 F196 W199	F147-F171 HydrophobicContact CD2-CD1 4.39Å; F147-F171 HydrophobicContact CD2-CE1 4.39Å; F147-F171 HydrophobicContact CE2-CD1 4.38Å; F147-F171 AromaticContact CE2-CE1 3.93Å; F147-F171 HydrophobicContact CE2-CE1 3.93Å; I156-F171 HydrophobicContact CD1-CD1 4.4Å; I156-F171 HydrophobicContact CD1-CE1 4.29Å; L158-F171 HydrophobicContact CD1-CE1 4.46Å; L158-F171 HydrophobicContact CD1-CZ 4.37Å; L166-F171 HydrophobicContact CD1-CE2 4.13Å; L166-F171 HydrophobicContact CD1-CZ 4.16Å; A169-F171 PolarHBondContact O-N 3.05Å; F171-S173 VanDerWaalsContact C-N 3.28Å; F171-S173 PolarHBondContact O-N 3.49Å; F171-L174 HydrophobicContact CD1-CD1 4.27Å; F171-L174 PolarHBondContact O-N 3.02Å; F171-L174 VanDerWaalsContact O-N 3.13Å; F171-L177 HydrophobicContact CD1-CD2 4.19Å; F171-F196 HydrophobicContact CD2-CD2 4.37Å; F171-F196 HydrophobicContact CD2-CE2 4.42Å; F171-F196 AromaticContact CE2-CD2 3.95Å; F171-F196 HydrophobicContact CE2-CD2 3.95Å; F171-F196 AromaticContact CE2-CE2 3.86Å; F171-F196 HydrophobicContact CE2-CE2 3.86Å; F171-W199 HydrophobicContact CB-CD2 4.23Å; F171-W199 VanDerWaalsContact CB-CE2 3.49Å; F171-W199 HydrophobicContact CB-CH2 3.9Å; F171-W199 HydrophobicContact CB-CZ2 3.32Å; F171-W199 HydrophobicContact CD1-CH2 4.27Å; F171-W199 HydrophobicContact CD1-CZ2 4.47Å; F171-W199 HydrophobicContact CD2-CD2 4.27Å; F171-W199 HydrophobicContact CD2-CE3 4.06Å; F171-W199 HydrophobicContact CD2-CH2 4.03Å; F171-W199 HydrophobicContact CD2-CZ2 4.23Å; F171-W199 AromaticContact CD2-CZ3 3.94Å; F171-W199 HydrophobicContact CD2-CZ3 3.94Å; F171-W199 HydrophobicContact CE2-CZ3 4.38Å; F171-W199 AromaticContact CG-CH2 3.8Å; F171-W199 HydrophobicContact CG-CH2 3.8Å; F171-W199 AromaticContact CG-CZ2 3.78Å; F171-W199 HydrophobicContact CG-CZ2 3.78Å; F171-W199 HydrophobicContact CG-CZ3 4.2Å
172	A	83.6	Confident	89.6	Confident	80 Å²	80	45.6 Å²	45.6	66%	0.661	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-21.8	-173	0	0	0	0	0	114.1	A169 L174	A169-A172 WeakPolarHBondContact O-CB 3.26Å; A169-A172 PolarHBondContact O-N 2.84Å; A172-L174 VanDerWaalsContact C-N 3.33Å
173	S	84.3	Confident	89.3	Confident	50 Å²	50	40.2 Å²	40.2	35%	0.35	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.8	173.8	53.9	0	0	0	0	114	F147 F171 A175	F147-S173 PolarHBondContact O-OG 3.25Å; F171-S173 VanDerWaalsContact C-N 3.28Å; F171-S173 PolarHBondContact O-N 3.49Å; S173-A175 PolarHBondContact O-N 2.78Å
174	L	90.7	Very high	89.1	Confident	11 Å²	11	42.8 Å²	42.8	6%	0.058	28%	0.279	C	S	.	.			trans	-98.5	65.2	-162.2	-56.3	-173.8	0	0	0	113	F147 C150 L153 I156 F171 A172 S176 L177	F147-L174 HydrophobicContact CB-CD1 3.81Å; F147-L174 HydrophobicContact CB-CD2 3.89Å; F147-L174 HydrophobicContact CB-CG 4.14Å; F147-L174 HydrophobicContact CD2-CD1 4.13Å; F147-L174 HydrophobicContact CG-CD1 4.16Å; F147-L174 WeakPolarHBondContact O-CD2 3.46Å; C150-L174 VanDerWaalsContact O-CD2 3.26Å; C150-L174 WeakPolarHBondContact O-CD2 3.28Å; L153-L174 HydrophobicContact CB-CD1 4.43Å; L153-L174 HydrophobicContact CB-CD2 4.28Å; L153-L174 HydrophobicContact CD1-CD1 4.23Å; L153-L174 HydrophobicContact CD1-CD2 4.31Å; I156-L174 HydrophobicContact CD1-CD1 3.68Å; F171-L174 HydrophobicContact CD1-CD1 4.27Å; F171-L174 PolarHBondContact O-N 3.02Å; F171-L174 VanDerWaalsContact O-N 3.13Å; A172-L174 VanDerWaalsContact C-N 3.33Å; L174-S176 PolarHBondContact O-N 3.03Å; L174-S176 VanDerWaalsContact O-N 3.12Å; L174-L177 HydrophobicContact CB-CB 3.92Å; L174-L177 HydrophobicContact CB-CD2 4.42Å; L174-L177 HydrophobicContact CD1-CD1 4.49Å; L174-L177 HydrophobicContact CD1-CD2 4.19Å; L174-L177 WeakPolarHBondContact O-CB 3.48Å; L174-L177 PolarHBondContact O-N 2.93Å; L174-L177 VanDerWaalsContact O-N 3.09Å
175	A	87.1	Confident	89.1	Confident	104 Å²	104	41.1 Å²	41.1	86%	0.86	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.6	-178.6	0	0	0	0	0	114.7	S173	S173-A175 PolarHBondContact O-N 2.78Å
176	S	90.8	Very high	89.3	Confident	62 Å²	62	36.4 Å²	36.4	43%	0.434	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2	178.6	-55.4	0	0	0	0	114.1	L153 L174 M178	L153-S176 CarbonylContact O-C 3.48Å; L174-S176 PolarHBondContact O-N 3.03Å; L174-S176 VanDerWaalsContact O-N 3.12Å; S176-M178 PolarHBondContact O-N 2.97Å
177	L	91.3	Very high	89.4	Confident	18 Å²	18	36.1 Å²	36.1	9%	0.094	25%	0.253	C	S	.	.			trans	-71.4	130.3	-171.3	-167.2	72.4	0	0	0	111.2	L153 I156 F171 L174 C180 W199 F203	L153-L177 HydrophobicContact CB-CD1 4.36Å; L153-L177 WeakPolarHBondContact O-CA 3.17Å; L153-L177 PolarHBondContact O-N 2.97Å; L153-L177 VanDerWaalsContact O-N 3.14Å; I156-L177 HydrophobicContact CB-CD1 4.49Å; I156-L177 HydrophobicContact CD1-CD1 3.82Å; I156-L177 HydrophobicContact CD1-CD2 4.33Å; I156-L177 HydrophobicContact CG1-CD1 3.81Å; F171-L177 HydrophobicContact CD1-CD2 4.19Å; L174-L177 HydrophobicContact CB-CB 3.92Å; L174-L177 HydrophobicContact CB-CD2 4.42Å; L174-L177 HydrophobicContact CD1-CD1 4.49Å; L174-L177 HydrophobicContact CD1-CD2 4.19Å; L174-L177 WeakPolarHBondContact O-CB 3.48Å; L174-L177 PolarHBondContact O-N 2.93Å; L174-L177 VanDerWaalsContact O-N 3.09Å; L177-C180 HydrophobicContact CD2-CB 4.32Å; L177-W199 HydrophobicContact CD2-CH2 4.23Å; L177-W199 HydrophobicContact CD2-CZ2 4.24Å; L177-F203 HydrophobicContact CB-CE2 3.88Å; L177-F203 HydrophobicContact CB-CZ 4.33Å; L177-F203 HydrophobicContact CD2-CE2 3.69Å; L177-F203 HydrophobicContact CD2-CZ 3.74Å; L177-F203 HydrophobicContact CG-CE2 3.74Å; L177-F203 HydrophobicContact CG-CZ 3.72Å; L177-F203 WeakPolarHBondContact O-CE2 3.19Å
178	M	88.8	Confident	89.7	Confident	93 Å²	93	34.5 Å²	34.5	46%	0.458	24%	0.244	S	C	.	.			trans	-119.1	-31.5	179.2	-59.8	-177	73.5	0	0	112.3	I154 S176 V206	I154-M178 HydrophobicContact CG2-CB 4.17Å; I154-M178 HydrophobicContact CG2-CG 4.01Å; I154-M178 HydrophobicContact CG2-SD 3.91Å; I154-M178 PolarHBondContact O-N 3.19Å; S176-M178 PolarHBondContact O-N 2.97Å; M178-V206 HydrophobicContact CB-CG2 4.28Å; M178-V206 VanDerWaalsContact O-CB 3.28Å; M178-V206 WeakPolarHBondContact O-CB 3.34Å; M178-V206 WeakPolarHBondContact O-CG2 3.44Å
179	V	89.6	Confident	90.3	Very high	34 Å²	34	33.9 Å²	33.9	21%	0.206	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130	-175.4	-167.6	0	0	0	0	110.4	I154 S155 I156 E181 V206	I154-V179 PolarHBondContact O-N 3.29Å; S155-V179 WeakPolarHBondContact CA-O 3.37Å; I156-V179 PolarHBondContact N-O 3.48Å; V179-E181 HydrophobicContact CG1-CG 4.27Å; V179-V206 HydrophobicContact CG2-CB 4.05Å; V179-V206 HydrophobicContact CG2-CG1 4.03Å; V179-V206 HydrophobicContact CG2-CG2 4.44Å
180	C	90.1	Very high	90.5	Very high	0 Å²	0	36 Å²	36	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	84.2	176.1	-173	0	0	0	0	110.2	I156 L177 W199 F203 T207	I156-C180 CarbonylContact O-C 3.54Å; I156-C180 WeakPolarHBondContact O-CA 3.46Å; L177-C180 HydrophobicContact CD2-CB 4.32Å; C180-W199 HydrophobicContact CB-CH2 4.48Å; C180-F203 HydrophobicContact CB-CD1 4.47Å; C180-F203 HydrophobicContact CB-CE1 3.62Å; C180-F203 HydrophobicContact CB-CZ 4.02Å; C180-T207 WeakPolarHBondContact O-CG2 3.17Å
181	E	90.7	Very high	90.4	Very high	37 Å²	37	38.8 Å²	38.8	17%	0.173	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.1	-178.9	-76.3	-68.3	175.3	0	0	111.4	I156 D157 L158 S159 V179 N209	I156-E181 PolarHBondContact O-N 2.85Å; D157-E181 HydrophobicContact CB-CB 4.38Å; L158-E181 CarbonylContact C-O 3.55Å; L158-E181 WeakPolarHBondContact CA-O 3.31Å; L158-E181 PolarHBondContact N-O 2.95Å; S159-E181 PolarHBondContact N-O 3.31Å; V179-E181 HydrophobicContact CG1-CG 4.27Å; E181-N209 VanDerWaalsContact CD-ND2 3.25Å; E181-N209 PolarHBondContact OE1-ND2 2.8Å; E181-N209 PolarHBondContact OE2-ND2 2.68Å
182	L	91.6	Very high	90.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	28%	0.283	C	S	.	.			trans	-133.5	1.1	-169.2	-75.3	168.5	0	0	0	113.8	L158 L163 L166 N185 F187 F196 L213	L158-L182 HydrophobicContact CB-CD2 3.78Å; L158-L182 HydrophobicContact CD1-CD2 4.17Å; L163-L182 HydrophobicContact CD1-CD2 4.21Å; L166-L182 HydrophobicContact CD1-CD1 4.44Å; L166-L182 HydrophobicContact CD1-CD2 3.86Å; L182-N185 PolarHBondContact O-ND2 3.38Å; L182-F187 HydrophobicContact CB-CZ 4.28Å; L182-F187 HydrophobicContact CD2-CZ 4.47Å; L182-F196 HydrophobicContact CD1-CE2 4.05Å; L182-F196 HydrophobicContact CD1-CZ 3.53Å; L182-L213 HydrophobicContact CB-CD2 3.84Å
183	A	90.4	Very high	90.8	Very high	15 Å²	15	39.7 Å²	39.7	12%	0.124	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	142.2	-174.9	0	0	0	0	0	112.8	S159 S160 R212	S159-A183 CarbonylContact C-O 3.49Å; S159-A183 VanDerWaalsContact CA-O 3.29Å; S159-A183 WeakPolarHBondContact CA-O 3.19Å; S159-A183 VanDerWaalsContact CB-O 3.26Å; S159-A183 WeakPolarHBondContact CB-O 3.22Å; S160-A183 PolarHBondContact N-O 3.34Å; A183-R212 HydrophobicContact CB-CB 4.17Å
184	G	91.2	Very high	91.1	Very high	55 Å²	55	39.7 Å²	39.7	57%	0.567	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	26.6	178.1	0	0	0	0	0	115.3	S160	S160-G184 WeakPolarHBondContact CA-O 3.47Å
185	N	94.9	Very high	91	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.064	26%	0.26	C	S	.	.			trans	-102.2	142.7	169.1	-80	-76.5	0	0	0	111.2	L158 N161 R162 L163 L182 F187	L158-N185 PolarHBondContact O-ND2 3.05Å; N161-N185 VanDerWaalsContact CA-OD1 3.25Å; N161-N185 WeakPolarHBondContact CA-OD1 3.35Å; N161-N185 WeakPolarHBondContact CB-OD1 3.48Å; N161-N185 PolarHBondContact N-OD1 2.66Å; N161-N185 PolarHBondContact O-OD1 3.1Å; R162-N185 PolarHBondContact N-OD1 2.99Å; L163-N185 HydrophobicContact CB-CB 4.07Å; L163-N185 WeakPolarHBondContact CB-OD1 3.17Å; L163-N185 WeakPolarHBondContact CG-OD1 3.42Å; L163-N185 PolarHBondContact N-OD1 2.94Å; L182-N185 PolarHBondContact O-ND2 3.38Å; N185-F187 VanDerWaalsContact C-N 3.31Å; N185-F187 HydrophobicContact CB-CD2 4.13Å; N185-F187 HydrophobicContact CB-CE1 4.38Å; N185-F187 HydrophobicContact CB-CE2 3.64Å; N185-F187 HydrophobicContact CB-CZ 3.78Å; N185-F187 WeakPolarHBondContact O-CD2 3.38Å; N185-F187 PolarHBondContact O-N 3.09Å
186	P	94.9	Very high	91.1	Very high	45 Å²	45	35.9 Å²	35.9	29%	0.292	22%	0.219	S	C	.	.			trans	-84.1	63.6	-174.8	36.3	-38.1	0	0	0	112.5	L163 S164 N188 E216	L163-P186 CarbonylContact O-C 3.59Å; S164-P186 WeakPolarHBondContact CA-O 3.27Å; P186-N188 PolarHBondContact O-N 2.95Å; P186-E216 HydrophobicContact CB-CB 3.94Å; P186-E216 HydrophobicContact CB-CG 3.96Å
187	F	94.2	Very high	91.1	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	135.4	-173.9	-67.5	-73.1	0	0	0	113.3	L166 L182 N185 L193 F196 L213 E216 S217 L226	L166-F187 HydrophobicContact CD1-CE1 4.27Å; L182-F187 HydrophobicContact CB-CZ 4.28Å; L182-F187 HydrophobicContact CD2-CZ 4.47Å; N185-F187 VanDerWaalsContact C-N 3.31Å; N185-F187 HydrophobicContact CB-CD2 4.13Å; N185-F187 HydrophobicContact CB-CE1 4.38Å; N185-F187 HydrophobicContact CB-CE2 3.64Å; N185-F187 HydrophobicContact CB-CZ 3.78Å; N185-F187 WeakPolarHBondContact O-CD2 3.38Å; N185-F187 PolarHBondContact O-N 3.09Å; F187-L193 HydrophobicContact CB-CD2 4.12Å; F187-L193 HydrophobicContact CD1-CD1 3.98Å; F187-L193 HydrophobicContact CD1-CD2 4.45Å; F187-F196 HydrophobicContact CE1-CE1 4.47Å; F187-L213 HydrophobicContact CE2-CD2 4.24Å; F187-E216 PolarHBondContact O-N 3.12Å; F187-S217 PolarHBondContact O-N 3.14Å; F187-L226 HydrophobicContact CD2-CD1 3.9Å; F187-L226 HydrophobicContact CE2-CD1 4.13Å; F187-L226 HydrophobicContact CG-CD1 4.23Å
188	N	93.8	Very high	90.9	Very high	41 Å²	41	34 Å²	34	22%	0.219	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.2	171	-171.9	21.5	0	0	0	110	S164 P186 E190 S217 P218	S164-N188 PolarHBondContact O-N 2.93Å; P186-N188 PolarHBondContact O-N 2.95Å; N188-E190 PolarHBondContact ND2-OE1 3.02Å; N188-E190 PolarHBondContact O-N 3.27Å; N188-E190 PolarHBondContact OD1-OE1 3.46Å; N188-S217 CarbonylContact C-O 3.53Å; N188-S217 WeakPolarHBondContact CA-O 3.42Å; N188-S217 WeakPolarHBondContact CA-OG 3.08Å; N188-S217 VanDerWaalsContact CB-OG 3.29Å; N188-S217 WeakPolarHBondContact CB-OG 3.3Å; N188-S217 WeakPolarHBondContact OD1-CB 3.46Å; N188-S217 PolarHBondContact OD1-O 2.95Å; N188-S217 PolarHBondContact OD1-OG 2.82Å; N188-P218 WeakPolarHBondContact OD1-CD 3.25Å
189	C	92.2	Very high	90.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.197	C	C	.	.			trans	-81.5	65.6	-177.9	-68.9	0	0	0	0	111.6	C215 S217 F221 L226 A237 L241	C189-C215 HydrophobicContact CB-CB 3.78Å; C189-C215 WeakPolarHBondContact CB-SG 3.11Å; C189-C215 WeakPolarHBondContact SG-CB 3.34Å; C189-C215 CovalentContact SG-SG 2.02Å; C189-C215 PolarHBondContact SG-SG 3.14Å; C189-S217 PolarHBondContact N-O 2.98Å; C189-F221 HydrophobicContact CB-CD2 4.37Å; C189-L226 VanDerWaalsContact SG-CD2 3.57Å; C189-A237 HydrophobicContact CB-CB 4.39Å; C189-L241 HydrophobicContact CB-CD1 4.29Å
190	E	90.3	Very high	90.8	Very high	91 Å²	91	30.3 Å²	30.3	43%	0.425	19%	0.188	S	C	.	.	S	Bend	trans	-108.9	179.3	167.3	-71.4	-173.8	-129.1	0	0	110.8	N188 D192 L193	N188-E190 PolarHBondContact ND2-OE1 3.02Å; N188-E190 PolarHBondContact O-N 3.27Å; N188-E190 PolarHBondContact OD1-OE1 3.46Å; E190-D192 VanDerWaalsContact C-N 3.25Å; E190-D192 PolarHBondContact O-N 3.25Å; E190-L193 PolarHBondContact O-N 3.05Å; E190-L193 VanDerWaalsContact O-N 3.08Å
191	C	89.4	Confident	90.5	Very high	61 Å²	61	34 Å²	34	41%	0.412	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-26.7	-174.7	-62.7	0	0	0	0	113.8	L193 F194 C245	C191-L193 PolarHBondContact O-N 2.83Å; C191-F194 VanDerWaalsContact O-CB 3.27Å; C191-F194 WeakPolarHBondContact O-CB 3.28Å; C191-F194 PolarHBondContact O-N 3.03Å; C191-F194 VanDerWaalsContact O-N 3.07Å; C191-C245 WeakPolarHBondContact CA-SG 3.27Å; C191-C245 HydrophobicContact CB-CB 3.74Å; C191-C245 WeakPolarHBondContact CB-SG 3.49Å; C191-C245 WeakPolarHBondContact SG-CB 3.16Å; C191-C245 CovalentContact SG-SG 2.04Å; C191-C245 PolarHBondContact SG-SG 3.01Å
192	D	89.3	Confident	90.2	Very high	101 Å²	101	38.3 Å²	38.3	54%	0.54	24%	0.239	S	C	.	.	H	α-helix	trans	-50.4	-41.2	169.8	-76.2	26.6	0	0	0	112.1	R165 E190 F194	R165-D192 IonicContact CZ-OD2 2.79Å; R165-D192 IonicContact NH1-OD2 3.05Å; R165-D192 PolarHBondContact NH1-OD2 3.03Å; E190-D192 VanDerWaalsContact C-N 3.25Å; E190-D192 PolarHBondContact O-N 3.25Å; D192-F194 VanDerWaalsContact C-N 3.31Å; D192-F194 PolarHBondContact O-N 2.94Å
193	L	91.4	Very high	89.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-77.8	-16.1	-176.4	-163.6	71.2	0	0	0	112.6	F187 E190 C191 G195 F196 L197 L226	F187-L193 HydrophobicContact CB-CD2 4.12Å; F187-L193 HydrophobicContact CD1-CD1 3.98Å; F187-L193 HydrophobicContact CD1-CD2 4.45Å; E190-L193 PolarHBondContact O-N 3.05Å; E190-L193 VanDerWaalsContact O-N 3.08Å; C191-L193 PolarHBondContact O-N 2.83Å; L193-G195 VanDerWaalsContact C-N 3.32Å; L193-G195 PolarHBondContact O-N 3.07Å; L193-F196 HydrophobicContact CD1-CD1 3.81Å; L193-F196 HydrophobicContact CG-CD1 4.26Å; L193-F196 PolarHBondContact O-N 2.84Å; L193-F196 VanDerWaalsContact O-N 3.15Å; L193-L197 HydrophobicContact CD2-CD1 4.39Å; L193-L197 HydrophobicContact CD2-CD2 4.34Å; L193-L197 HydrophobicContact CD2-CG 4.34Å; L193-L197 HydrophobicContact CG-CD2 4.43Å; L193-L197 HydrophobicContact CG-CG 4.15Å; L193-L197 WeakPolarHBondContact O-CG 3.26Å; L193-L197 PolarHBondContact O-N 3.49Å; L193-L226 HydrophobicContact CD2-CD2 4.44Å
194	F	89.9	Confident	88.4	Confident	50 Å²	50	43.8 Å²	43.8	22%	0.219	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-38.6	-173	179.1	-110	0	0	0	112.9	C191 D192 L197 A198 I238 L241 Q242	C191-F194 VanDerWaalsContact O-CB 3.27Å; C191-F194 WeakPolarHBondContact O-CB 3.28Å; C191-F194 PolarHBondContact O-N 3.03Å; C191-F194 VanDerWaalsContact O-N 3.07Å; D192-F194 VanDerWaalsContact C-N 3.31Å; D192-F194 PolarHBondContact O-N 2.94Å; F194-L197 PolarHBondContact O-N 3.28Å; F194-A198 WeakPolarHBondContact O-CB 3.21Å; F194-A198 PolarHBondContact O-N 2.94Å; F194-I238 HydrophobicContact CD2-CD1 4Å; F194-I238 HydrophobicContact CE2-CD1 3.69Å; F194-L241 HydrophobicContact CB-CB 4.44Å; F194-L241 HydrophobicContact CD2-CB 3.85Å; F194-Q242 HydrophobicContact CE2-CB 3.86Å; F194-Q242 HydrophobicContact CZ-CB 4.34Å
195	G	88.7	Confident	86.7	Confident	35 Å²	35	47.2 Å²	47.2	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-41.4	176.4	0	0	0	0	0	112.9	L193 A198 W199	L193-G195 VanDerWaalsContact C-N 3.32Å; L193-G195 PolarHBondContact O-N 3.07Å; G195-A198 PolarHBondContact O-N 3.14Å; G195-W199 PolarHBondContact O-N 3.15Å; G195-W199 VanDerWaalsContact O-N 3.12Å
196	F	90.8	Very high	84.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-41.8	174.1	165.2	-100.4	0	0	0	112.4	L166 F171 L182 F187 L193 A198 W199 L200	L166-F196 HydrophobicContact CB-CB 4.13Å; L166-F196 HydrophobicContact CB-CD1 4.34Å; L166-F196 HydrophobicContact CB-CD2 3.79Å; L166-F196 HydrophobicContact CB-CE2 4.39Å; L166-F196 HydrophobicContact CB-CG 3.78Å; L166-F196 HydrophobicContact CD1-CD2 4.15Å; L166-F196 HydrophobicContact CD1-CE2 3.89Å; L166-F196 HydrophobicContact CD1-CZ 4.11Å; L166-F196 VanDerWaalsContact O-CB 3.22Å; L166-F196 WeakPolarHBondContact O-CB 3.32Å; F171-F196 HydrophobicContact CD2-CD2 4.37Å; F171-F196 HydrophobicContact CD2-CE2 4.42Å; F171-F196 AromaticContact CE2-CD2 3.95Å; F171-F196 HydrophobicContact CE2-CD2 3.95Å; F171-F196 AromaticContact CE2-CE2 3.86Å; F171-F196 HydrophobicContact CE2-CE2 3.86Å; L182-F196 HydrophobicContact CD1-CE2 4.05Å; L182-F196 HydrophobicContact CD1-CZ 3.53Å; F187-F196 HydrophobicContact CE1-CE1 4.47Å; L193-F196 HydrophobicContact CD1-CD1 3.81Å; L193-F196 HydrophobicContact CG-CD1 4.26Å; L193-F196 PolarHBondContact O-N 2.84Å; L193-F196 VanDerWaalsContact O-N 3.15Å; F196-A198 VanDerWaalsContact C-N 3.31Å; F196-A198 PolarHBondContact O-N 2.85Å; F196-W199 HydrophobicContact CD2-CE3 4.1Å; F196-W199 AromaticContact CE2-CE3 3.82Å; F196-W199 HydrophobicContact CE2-CE3 3.82Å; F196-W199 AromaticContact CE2-CZ3 3.92Å; F196-W199 HydrophobicContact CE2-CZ3 3.92Å; F196-W199 WeakPolarHBondContact O-CB 3.5Å; F196-W199 PolarHBondContact O-N 3.46Å; F196-L200 HydrophobicContact CE1-CD2 4.07Å; F196-L200 HydrophobicContact CE2-CD1 4.41Å; F196-L200 HydrophobicContact CZ-CB 4.25Å; F196-L200 HydrophobicContact CZ-CD1 4.01Å; F196-L200 HydrophobicContact CZ-CD2 3.92Å; F196-L200 HydrophobicContact CZ-CG 4.29Å; F196-L200 WeakPolarHBondContact O-CB 3.28Å; F196-L200 PolarHBondContact O-N 2.88Å
197	L	89.5	Confident	82.9	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-37.5	176.1	-63.7	-176.5	0	0	0	112	L193 F194 L200 V201 L226 A237 I238 L241	L193-L197 HydrophobicContact CD2-CD1 4.39Å; L193-L197 HydrophobicContact CD2-CD2 4.34Å; L193-L197 HydrophobicContact CD2-CG 4.34Å; L193-L197 HydrophobicContact CG-CD2 4.43Å; L193-L197 HydrophobicContact CG-CG 4.15Å; L193-L197 WeakPolarHBondContact O-CG 3.26Å; L193-L197 PolarHBondContact O-N 3.49Å; F194-L197 PolarHBondContact O-N 3.28Å; L197-L200 PolarHBondContact O-N 3.48Å; L197-V201 WeakPolarHBondContact O-CG2 3.23Å; L197-V201 PolarHBondContact O-N 3.42Å; L197-V201 VanDerWaalsContact O-N 3.15Å; L197-L226 HydrophobicContact CD2-CB 3.92Å; L197-L226 HydrophobicContact CD2-CD1 3.91Å; L197-L226 HydrophobicContact CD2-CD2 4.32Å; L197-L226 HydrophobicContact CD2-CG 4.26Å; L197-A237 HydrophobicContact CD1-CB 3.99Å; L197-I238 HydrophobicContact CB-CB 4.4Å; L197-I238 HydrophobicContact CB-CD1 3.77Å; L197-I238 HydrophobicContact CD1-CB 4.28Å; L197-L241 HydrophobicContact CD1-CD1 3.77Å
198	A	87.3	Confident	81.1	Confident	42 Å²	42	55.6 Å²	55.6	35%	0.347	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-41.2	174.5	0	0	0	0	0	112	F194 G195 F196	F194-A198 WeakPolarHBondContact O-CB 3.21Å; F194-A198 PolarHBondContact O-N 2.94Å; G195-A198 PolarHBondContact O-N 3.14Å; F196-A198 VanDerWaalsContact C-N 3.31Å; F196-A198 PolarHBondContact O-N 2.85Å
199	W	88.4	Confident	79.6	Confident	48 Å²	48	55.3 Å²	55.3	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-45.3	171.6	174.7	89.3	0	0	0	112	F171 L177 C180 G195 F196 V201 V202 F203	F171-W199 HydrophobicContact CB-CD2 4.23Å; F171-W199 VanDerWaalsContact CB-CE2 3.49Å; F171-W199 HydrophobicContact CB-CH2 3.9Å; F171-W199 HydrophobicContact CB-CZ2 3.32Å; F171-W199 HydrophobicContact CD1-CH2 4.27Å; F171-W199 HydrophobicContact CD1-CZ2 4.47Å; F171-W199 HydrophobicContact CD2-CD2 4.27Å; F171-W199 HydrophobicContact CD2-CE3 4.06Å; F171-W199 HydrophobicContact CD2-CH2 4.03Å; F171-W199 HydrophobicContact CD2-CZ2 4.23Å; F171-W199 AromaticContact CD2-CZ3 3.94Å; F171-W199 HydrophobicContact CD2-CZ3 3.94Å; F171-W199 HydrophobicContact CE2-CZ3 4.38Å; F171-W199 AromaticContact CG-CH2 3.8Å; F171-W199 HydrophobicContact CG-CH2 3.8Å; F171-W199 AromaticContact CG-CZ2 3.78Å; F171-W199 HydrophobicContact CG-CZ2 3.78Å; F171-W199 HydrophobicContact CG-CZ3 4.2Å; L177-W199 HydrophobicContact CD2-CH2 4.23Å; L177-W199 HydrophobicContact CD2-CZ2 4.24Å; C180-W199 HydrophobicContact CB-CH2 4.48Å; G195-W199 PolarHBondContact O-N 3.15Å; G195-W199 VanDerWaalsContact O-N 3.12Å; F196-W199 HydrophobicContact CD2-CE3 4.1Å; F196-W199 AromaticContact CE2-CE3 3.82Å; F196-W199 HydrophobicContact CE2-CE3 3.82Å; F196-W199 AromaticContact CE2-CZ3 3.92Å; F196-W199 HydrophobicContact CE2-CZ3 3.92Å; F196-W199 WeakPolarHBondContact O-CB 3.5Å; F196-W199 PolarHBondContact O-N 3.46Å; W199-V201 VanDerWaalsContact C-N 3.25Å; W199-V201 PolarHBondContact O-N 2.81Å; W199-V202 PolarHBondContact O-N 2.92Å; W199-F203 HydrophobicContact CD2-CB 4.21Å; W199-F203 HydrophobicContact CE3-CB 4.25Å; W199-F203 HydrophobicContact CH2-CB 3.87Å; W199-F203 AromaticContact CH2-CD1 3.53Å; W199-F203 HydrophobicContact CH2-CD1 3.53Å; W199-F203 AromaticContact CH2-CD2 3.61Å; W199-F203 HydrophobicContact CH2-CD2 3.61Å; W199-F203 AromaticContact CH2-CE1 3.99Å; W199-F203 HydrophobicContact CH2-CE1 3.99Å; W199-F203 HydrophobicContact CH2-CE2 4.05Å; W199-F203 AromaticContact CH2-CG 3.34Å; W199-F203 HydrophobicContact CH2-CG 3.34Å; W199-F203 HydrophobicContact CH2-CZ 4.23Å; W199-F203 HydrophobicContact CZ2-CB 3.82Å; W199-F203 HydrophobicContact CZ2-CD1 4.13Å; W199-F203 AromaticContact CZ2-CD2 3.32Å; W199-F203 HydrophobicContact CZ2-CD2 3.32Å; W199-F203 AromaticContact CZ2-CE2 3.93Å; W199-F203 HydrophobicContact CZ2-CE2 3.93Å; W199-F203 AromaticContact CZ2-CG 3.45Å; W199-F203 HydrophobicContact CZ2-CG 3.45Å; W199-F203 VanDerWaalsContact CZ2-CG 3.45Å; W199-F203 HydrophobicContact CZ3-CB 4.09Å; W199-F203 AromaticContact CZ3-CD1 3.99Å; W199-F203 HydrophobicContact CZ3-CD1 3.99Å; W199-F203 AromaticContact CZ3-CG 3.95Å; W199-F203 HydrophobicContact CZ3-CG 3.95Å; W199-F203 WeakPolarHBondContact O-CB 3.48Å; W199-F203 PolarHBondContact O-N 2.57Å
200	L	87.9	Confident	78.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-28.7	-176.5	-166.6	69.6	0	0	0	113	F196 L197 L213 L227	F196-L200 HydrophobicContact CE1-CD2 4.07Å; F196-L200 HydrophobicContact CE2-CD1 4.41Å; F196-L200 HydrophobicContact CZ-CB 4.25Å; F196-L200 HydrophobicContact CZ-CD1 4.01Å; F196-L200 HydrophobicContact CZ-CD2 3.92Å; F196-L200 HydrophobicContact CZ-CG 4.29Å; F196-L200 WeakPolarHBondContact O-CB 3.28Å; F196-L200 PolarHBondContact O-N 2.88Å; L197-L200 PolarHBondContact O-N 3.48Å; L200-L213 HydrophobicContact CD2-CD1 4.13Å; L200-L227 HydrophobicContact CB-CD1 4.3Å; L200-L227 HydrophobicContact CD2-CD1 3.78Å; L200-L227 HydrophobicContact CD2-CG 4.12Å; L200-L227 HydrophobicContact CG-CD1 3.81Å
201	V	84.4	Confident	77	Confident	79 Å²	79	58.2 Å²	58.2	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-36.3	171.4	170	0	0	0	0	112	L197 W199 L227 I238	L197-V201 WeakPolarHBondContact O-CG2 3.23Å; L197-V201 PolarHBondContact O-N 3.42Å; L197-V201 VanDerWaalsContact O-N 3.15Å; W199-V201 VanDerWaalsContact C-N 3.25Å; W199-V201 PolarHBondContact O-N 2.81Å; V201-L227 HydrophobicContact CG2-CD1 4.34Å; V201-L227 HydrophobicContact CG2-CD2 3.63Å; V201-I238 HydrophobicContact CG2-CG1 4.41Å
202	V	83.9	Confident	76.4	Confident	127 Å²	127	62.4 Å²	62.4	77%	0.77	33%	0.327	S	S	*	.	H	α-helix	trans	-82.7	-33.6	-178.1	179.1	0	0	0	0	111.9	W199 N204	W199-V202 PolarHBondContact O-N 2.92Å; V202-N204 PolarHBondContact O-N 3.19Å
203	F	81.4	Confident	76.3	Confident	28 Å²	28	58 Å²	58	12%	0.123	30%	0.303	C	S	.	.	S	Bend	trans	-67.3	1.9	-179.2	-178.4	-107.5	0	0	0	115.2	L177 C180 W199 N205	L177-F203 HydrophobicContact CB-CE2 3.88Å; L177-F203 HydrophobicContact CB-CZ 4.33Å; L177-F203 HydrophobicContact CD2-CE2 3.69Å; L177-F203 HydrophobicContact CD2-CZ 3.74Å; L177-F203 HydrophobicContact CG-CE2 3.74Å; L177-F203 HydrophobicContact CG-CZ 3.72Å; L177-F203 WeakPolarHBondContact O-CE2 3.19Å; C180-F203 HydrophobicContact CB-CD1 4.47Å; C180-F203 HydrophobicContact CB-CE1 3.62Å; C180-F203 HydrophobicContact CB-CZ 4.02Å; W199-F203 HydrophobicContact CD2-CB 4.21Å; W199-F203 HydrophobicContact CE3-CB 4.25Å; W199-F203 HydrophobicContact CH2-CB 3.87Å; W199-F203 AromaticContact CH2-CD1 3.53Å; W199-F203 HydrophobicContact CH2-CD1 3.53Å; W199-F203 AromaticContact CH2-CD2 3.61Å; W199-F203 HydrophobicContact CH2-CD2 3.61Å; W199-F203 AromaticContact CH2-CE1 3.99Å; W199-F203 HydrophobicContact CH2-CE1 3.99Å; W199-F203 HydrophobicContact CH2-CE2 4.05Å; W199-F203 AromaticContact CH2-CG 3.34Å; W199-F203 HydrophobicContact CH2-CG 3.34Å; W199-F203 HydrophobicContact CH2-CZ 4.23Å; W199-F203 HydrophobicContact CZ2-CB 3.82Å; W199-F203 HydrophobicContact CZ2-CD1 4.13Å; W199-F203 AromaticContact CZ2-CD2 3.32Å; W199-F203 HydrophobicContact CZ2-CD2 3.32Å; W199-F203 AromaticContact CZ2-CE2 3.93Å; W199-F203 HydrophobicContact CZ2-CE2 3.93Å; W199-F203 AromaticContact CZ2-CG 3.45Å; W199-F203 HydrophobicContact CZ2-CG 3.45Å; W199-F203 VanDerWaalsContact CZ2-CG 3.45Å; W199-F203 HydrophobicContact CZ3-CB 4.09Å; W199-F203 AromaticContact CZ3-CD1 3.99Å; W199-F203 HydrophobicContact CZ3-CD1 3.99Å; W199-F203 AromaticContact CZ3-CG 3.95Å; W199-F203 HydrophobicContact CZ3-CG 3.95Å; W199-F203 WeakPolarHBondContact O-CB 3.48Å; W199-F203 PolarHBondContact O-N 2.57Å; F203-N205 PolarHBondContact O-N 2.88Å
204	N	62.3	Low	76.2	Confident	104 Å²	104	61 Å²	61	56%	0.556	32%	0.317	S	S	*	.			trans	-65.8	93.5	-162	-174.1	26.8	0	0	0	114.7	V202 Y210	V202-N204 PolarHBondContact O-N 3.19Å; N204-Y210 PolarHBondContact OD1-OH 2.91Å
205	N	55.4	Low	76.3	Confident	127 Å²	127	58.6 Å²	58.6	68%	0.679	31%	0.307	S	S	*	.	S	Bend	trans	-138.2	-43.4	177.4	-140.3	-8.8	0	0	0	115.6	F203	F203-N205 PolarHBondContact O-N 2.88Å
206	V	53.3	Low	76.5	Confident	44 Å²	44	63.2 Å²	63.2	27%	0.267	32%	0.319	S	S	.	.	S	Bend	trans	-135.1	-0.4	-174.9	-159	0	0	0	0	115.8	M178 V179 K208	M178-V206 HydrophobicContact CB-CG2 4.28Å; M178-V206 VanDerWaalsContact O-CB 3.28Å; M178-V206 WeakPolarHBondContact O-CB 3.34Å; M178-V206 WeakPolarHBondContact O-CG2 3.44Å; V179-V206 HydrophobicContact CG2-CB 4.05Å; V179-V206 HydrophobicContact CG2-CG1 4.03Å; V179-V206 HydrophobicContact CG2-CG2 4.44Å; V206-K208 PolarHBondContact O-N 2.87Å
207	T	57.3	Low	76.5	Confident	8 Å²	8	65.1 Å²	65.1	5%	0.049	33%	0.332	C	S	.	.			trans	-71.7	81.3	-178.6	9.6	0	0	0	0	113.7	C180 N209 Y210	C180-T207 WeakPolarHBondContact O-CG2 3.17Å; T207-N209 PolarHBondContact O-N 3.4Å; T207-Y210 WeakPolarHBondContact O-CD2 3.48Å; T207-Y210 VanDerWaalsContact O-CE2 3.28Å; T207-Y210 WeakPolarHBondContact O-CE2 3.49Å; T207-Y210 PolarHBondContact OG1-OH 3.46Å
208	K	55.3	Low	76.6	Confident	182 Å²	182	66.4 Å²	66.4	79%	0.791	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	8.2	-174.3	-69.9	171.2	-174.7	174.7	0	115.7	V206	V206-K208 PolarHBondContact O-N 2.87Å
209	N	62.7	Low	76.5	Confident	35 Å²	35	75.5 Å²	75.5	19%	0.187	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	17.9	-166.2	-75.8	-64	0	0	0	114.6	E181 T207 D211 R212	E181-N209 VanDerWaalsContact CD-ND2 3.25Å; E181-N209 PolarHBondContact OE1-ND2 2.8Å; E181-N209 PolarHBondContact OE2-ND2 2.68Å; T207-N209 PolarHBondContact O-N 3.4Å; N209-D211 VanDerWaalsContact C-N 3.25Å; N209-D211 PolarHBondContact O-N 3.3Å; N209-D211 VanDerWaalsContact O-N 3.12Å; N209-R212 WeakPolarHBondContact O-CB 3.18Å; N209-R212 PolarHBondContact O-N 3.32Å; N209-R212 WeakPolarHBondContact OD1-CD 3.29Å; N209-R212 PolarHBondContact OD1-NH1 2.93Å
210	Y	65.4	Low	76.4	Confident	39 Å²	39	79.6 Å²	79.6	15%	0.153	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-50.5	-39.4	-176.4	-63.8	-57.1	0	0	0	114.2	N204 T207 R212 L213 L227	N204-Y210 PolarHBondContact OD1-OH 2.91Å; T207-Y210 WeakPolarHBondContact O-CD2 3.48Å; T207-Y210 VanDerWaalsContact O-CE2 3.28Å; T207-Y210 WeakPolarHBondContact O-CE2 3.49Å; T207-Y210 PolarHBondContact OG1-OH 3.46Å; Y210-R212 PolarHBondContact O-N 3.46Å; Y210-L213 HydrophobicContact CD1-CD1 4.15Å; Y210-L213 WeakPolarHBondContact O-CB 3.34Å; Y210-L213 PolarHBondContact O-N 3.25Å; Y210-L227 HydrophobicContact CD1-CD1 4.15Å; Y210-L227 HydrophobicContact CE1-CD1 4.03Å
211	D	63.2	Low	76.3	Confident	113 Å²	113	81.2 Å²	81.2	60%	0.604	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-59	-19.4	179.2	-54.6	-16.7	0	0	0	114.5	N209 R230	N209-D211 VanDerWaalsContact C-N 3.25Å; N209-D211 PolarHBondContact O-N 3.3Å; N209-D211 VanDerWaalsContact O-N 3.12Å; D211-R230 PolarHBondContact O-NH2 2.91Å
212	R	75.9	Confident	76.5	Confident	149 Å²	149	79.9 Å²	79.9	56%	0.562	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-92.9	-20.7	179	-58.2	178.4	174.9	173.5	-6.4	112.4	A183 N209 Y210 Q214	A183-R212 HydrophobicContact CB-CB 4.17Å; N209-R212 WeakPolarHBondContact O-CB 3.18Å; N209-R212 PolarHBondContact O-N 3.32Å; N209-R212 WeakPolarHBondContact OD1-CD 3.29Å; N209-R212 PolarHBondContact OD1-NH1 2.93Å; Y210-R212 PolarHBondContact O-N 3.46Å; R212-Q214 PolarHBondContact O-N 2.61Å; R212-Q214 PolarHBondContact O-NE2 2.89Å
213	L	87.9	Confident	76.6	Confident	7 Å²	7	75 Å²	75	4%	0.037	37%	0.367	C	S	.	.			trans	-77.3	110.2	177.7	-59.3	-179.4	0	0	0	109.4	L182 F187 L200 Y210 P225 L226	L182-L213 HydrophobicContact CB-CD2 3.84Å; F187-L213 HydrophobicContact CE2-CD2 4.24Å; L200-L213 HydrophobicContact CD2-CD1 4.13Å; Y210-L213 HydrophobicContact CD1-CD1 4.15Å; Y210-L213 WeakPolarHBondContact O-CB 3.34Å; Y210-L213 PolarHBondContact O-N 3.25Å; L213-P225 WeakPolarHBondContact O-CA 3.48Å; L213-L226 HydrophobicContact CB-CB 4.25Å; L213-L226 HydrophobicContact CB-CD1 3.87Å; L213-L226 HydrophobicContact CB-CG 3.94Å; L213-L226 PolarHBondContact O-N 3.28Å
214	Q	89.6	Confident	76.9	Confident	63 Å²	63	76.5 Å²	76.5	29%	0.294	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-132.8	156.3	-176.4	-67.5	151.4	104.4	0	0	110.6	R212 Y224	R212-Q214 PolarHBondContact O-N 2.61Å; R212-Q214 PolarHBondContact O-NE2 2.89Å; Q214-Y224 CarbonylContact C-O 3.55Å; Q214-Y224 WeakPolarHBondContact CA-O 3.48Å
215	C	91.5	Very high	78.2	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.007	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.8	162.1	-50.2	0	0	0	0	110	C189 F221 G223 Y224 A237	C189-C215 HydrophobicContact CB-CB 3.78Å; C189-C215 WeakPolarHBondContact CB-SG 3.11Å; C189-C215 WeakPolarHBondContact SG-CB 3.34Å; C189-C215 CovalentContact SG-SG 2.02Å; C189-C215 PolarHBondContact SG-SG 3.14Å; C215-F221 HydrophobicContact CB-CB 4.34Å; C215-F221 VanDerWaalsContact CB-O 3.27Å; C215-F221 WeakPolarHBondContact CB-O 3.35Å; C215-G223 PolarHBondContact O-N 3.01Å; C215-Y224 PolarHBondContact N-O 3.18Å; C215-A237 VanDerWaalsContact SG-CB 3.54Å
216	E	93.1	Very high	79.7	Confident	132 Å²	132	65.6 Å²	65.6	62%	0.617	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	-29.7	164.7	-174.8	66.7	-167.3	0	0	110.5	P186 F187	P186-E216 HydrophobicContact CB-CB 3.94Å; P186-E216 HydrophobicContact CB-CG 3.96Å; F187-E216 PolarHBondContact O-N 3.12Å
217	S	90.8	Very high	81.2	Confident	39 Å²	39	64.9 Å²	64.9	27%	0.273	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	162.4	179.5	40.8	0	0	0	0	111.2	F187 N188 C189	F187-S217 PolarHBondContact O-N 3.14Å; N188-S217 CarbonylContact C-O 3.53Å; N188-S217 WeakPolarHBondContact CA-O 3.42Å; N188-S217 WeakPolarHBondContact CA-OG 3.08Å; N188-S217 VanDerWaalsContact CB-OG 3.29Å; N188-S217 WeakPolarHBondContact CB-OG 3.3Å; N188-S217 WeakPolarHBondContact OD1-CB 3.46Å; N188-S217 PolarHBondContact OD1-O 2.95Å; N188-S217 PolarHBondContact OD1-OG 2.82Å; C189-S217 PolarHBondContact N-O 2.98Å
218	P	90.7	Very high	82.1	Confident	27 Å²	27	67.3 Å²	67.3	18%	0.175	32%	0.323	C	S	.	.	S	Bend	cis	-69.6	171.9	-14.4	36.2	-38.7	0	0	0	110.7	N188 E220 F221 A222	N188-P218 WeakPolarHBondContact OD1-CD 3.25Å; P218-E220 WeakPolarHBondContact CB-OE2 3.28Å; P218-E220 PolarHBondContact O-N 2.88Å; P218-E220 VanDerWaalsContact O-N 3.1Å; P218-F221 HydrophobicContact CG-CD2 3.94Å; P218-F221 HydrophobicContact CG-CE2 4.37Å; P218-F221 PolarHBondContact O-N 3.43Å; P218-A222 PolarHBondContact O-N 3.24Å
219	R	86.6	Confident	82.4	Confident	234 Å²	234	62.5 Å²	62.5	88%	0.883	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.7	-167.6	-72.2	-173.2	178.4	-175.6	0.6	114	F221	R219-F221 PolarHBondContact O-N 3.04Å
220	E	86.4	Confident	82.3	Confident	134 Å²	134	64.6 Å²	64.6	63%	0.626	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.3	178.1	-58.9	76	-169.3	0	0	112.5	P218	P218-E220 WeakPolarHBondContact CB-OE2 3.28Å; P218-E220 PolarHBondContact O-N 2.88Å; P218-E220 VanDerWaalsContact O-N 3.1Å
221	F	85.8	Confident	81.7	Confident	34 Å²	34	68.7 Å²	68.7	15%	0.149	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	2.6	-178.9	-52	-37.6	0	0	0	113.1	C189 C215 P218 R219 G223 Y224 V240	C189-F221 HydrophobicContact CB-CD2 4.37Å; C215-F221 HydrophobicContact CB-CB 4.34Å; C215-F221 VanDerWaalsContact CB-O 3.27Å; C215-F221 WeakPolarHBondContact CB-O 3.35Å; P218-F221 HydrophobicContact CG-CD2 3.94Å; P218-F221 HydrophobicContact CG-CE2 4.37Å; P218-F221 PolarHBondContact O-N 3.43Å; R219-F221 PolarHBondContact O-N 3.04Å; F221-G223 PolarHBondContact O-N 3.44Å; F221-Y224 HydrophobicContact CB-CD2 4.42Å; F221-Y224 HydrophobicContact CB-CG 4.48Å; F221-Y224 WeakPolarHBondContact O-CB 3.2Å; F221-Y224 VanDerWaalsContact O-CD2 3.25Å; F221-Y224 WeakPolarHBondContact O-CD2 3.37Å; F221-Y224 PolarHBondContact O-N 3.43Å; F221-V240 HydrophobicContact CD1-CG1 4.49Å; F221-V240 HydrophobicContact CE1-CG1 3.73Å; F221-V240 HydrophobicContact CE2-CG1 4.1Å; F221-V240 HydrophobicContact CZ-CG1 3.5Å; F221-V240 VanDerWaalsContact CZ-CG1 3.5Å
222	A	88.3	Confident	81.1	Confident	51 Å²	51	73.4 Å²	73.4	42%	0.421	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	130.1	179	0	0	0	0	0	111.6	P218 Y224	P218-A222 PolarHBondContact O-N 3.24Å; A222-Y224 VanDerWaalsContact C-N 3.29Å; A222-Y224 PolarHBondContact O-N 3.03Å
223	G	86.5	Confident	80.2	Confident	25 Å²	25	69.8 Å²	69.8	26%	0.258	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-6.1	-175	0	0	0	0	0	115.8	C215 F221 R230	C215-G223 PolarHBondContact O-N 3.01Å; F221-G223 PolarHBondContact O-N 3.44Å; G223-R230 PolarHBondContact O-NH1 3.36Å
224	Y	87	Confident	79	Confident	58 Å²	58	75 Å²	75	23%	0.227	39%	0.385	C	S	.	.			trans	-67.7	136.3	174	-81.2	-121.5	0	0	0	110.3	Q214 C215 F221 A222 L235	Q214-Y224 CarbonylContact C-O 3.55Å; Q214-Y224 WeakPolarHBondContact CA-O 3.48Å; C215-Y224 PolarHBondContact N-O 3.18Å; F221-Y224 HydrophobicContact CB-CD2 4.42Å; F221-Y224 HydrophobicContact CB-CG 4.48Å; F221-Y224 WeakPolarHBondContact O-CB 3.2Å; F221-Y224 VanDerWaalsContact O-CD2 3.25Å; F221-Y224 WeakPolarHBondContact O-CD2 3.37Å; F221-Y224 PolarHBondContact O-N 3.43Å; A222-Y224 VanDerWaalsContact C-N 3.29Å; A222-Y224 PolarHBondContact O-N 3.03Å; Y224-L235 WeakPolarHBondContact CD1-O 3.5Å; Y224-L235 HydrophobicContact CE1-CB 4.13Å
225	P	88.4	Confident	78	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.013	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-71	146.5	176.1	31.7	-35.6	0	0	0	111.1	L213 V228 R230 A237	L213-P225 WeakPolarHBondContact O-CA 3.48Å; P225-V228 WeakPolarHBondContact CB-O 3.25Å; P225-V228 WeakPolarHBondContact CG-O 3.44Å; P225-R230 HydrophobicContact CG-CG 4.19Å; P225-A237 PolarHBondContact O-N 2.91Å
226	L	88.6	Confident	77.6	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.005	39%	0.394	C	S	.	.	S	Bend	trans	-67.1	-46.8	-177.4	-64.1	-169	0	0	0	112.6	F187 C189 L193 L197 L213 A237 I238	F187-L226 HydrophobicContact CD2-CD1 3.9Å; F187-L226 HydrophobicContact CE2-CD1 4.13Å; F187-L226 HydrophobicContact CG-CD1 4.23Å; C189-L226 VanDerWaalsContact SG-CD2 3.57Å; L193-L226 HydrophobicContact CD2-CD2 4.44Å; L197-L226 HydrophobicContact CD2-CB 3.92Å; L197-L226 HydrophobicContact CD2-CD1 3.91Å; L197-L226 HydrophobicContact CD2-CD2 4.32Å; L197-L226 HydrophobicContact CD2-CG 4.26Å; L213-L226 HydrophobicContact CB-CB 4.25Å; L213-L226 HydrophobicContact CB-CD1 3.87Å; L213-L226 HydrophobicContact CB-CG 3.94Å; L213-L226 PolarHBondContact O-N 3.28Å; L226-A237 HydrophobicContact CD2-CB 3.95Å; L226-I238 WeakPolarHBondContact O-CG2 3.49Å; L226-I238 PolarHBondContact O-N 2.86Å; L226-I238 VanDerWaalsContact O-N 3.14Å
227	L	84.4	Confident	77.3	Confident	29 Å²	29	70.3 Å²	70.3	15%	0.152	37%	0.365	C	S	.	.	S	Bend	trans	-122.2	-34.8	-170.8	-64.1	-168.9	0	0	0	116.4	L200 V201 Y210 N236 I238	L200-L227 HydrophobicContact CB-CD1 4.3Å; L200-L227 HydrophobicContact CD2-CD1 3.78Å; L200-L227 HydrophobicContact CD2-CG 4.12Å; L200-L227 HydrophobicContact CG-CD1 3.81Å; V201-L227 HydrophobicContact CG2-CD1 4.34Å; V201-L227 HydrophobicContact CG2-CD2 3.63Å; Y210-L227 HydrophobicContact CD1-CD1 4.15Å; Y210-L227 HydrophobicContact CE1-CD1 4.03Å; L227-N236 VanDerWaalsContact C-ND2 3.32Å; L227-N236 PolarHBondContact O-ND2 3.5Å; L227-I238 HydrophobicContact CD2-CB 4.11Å; L227-I238 HydrophobicContact CD2-CG2 3.99Å
228	V	76.4	Confident	77.1	Confident	59 Å²	59	69.4 Å²	69.4	36%	0.358	36%	0.357	S	S	.	.	S	Bend	trans	-115.2	131.2	-168.9	-179.9	0	0	0	0	110.4	P225	P225-V228 WeakPolarHBondContact CB-O 3.25Å; P225-V228 WeakPolarHBondContact CG-O 3.44Å
229	P	60.5	Low	76.8	Confident	80 Å²	80	71 Å²	71	52%	0.519	37%	0.367	S	S	.	.			trans	-66	141.7	-178.2	-13.5	27.3	0	0	0	112.4	N236	P229-N236 WeakPolarHBondContact CA-OD1 3.47Å; P229-N236 WeakPolarHBondContact CB-OD1 3.41Å; P229-N236 VanDerWaalsContact CD-ND2 3.29Å; P229-N236 WeakPolarHBondContact CD-ND2 3.42Å; P229-N236 WeakPolarHBondContact CG-ND2 3.26Å; P229-N236 WeakPolarHBondContact CG-OD1 3.26Å
230	R	60.9	Low	76.7	Confident	80 Å²	80	61.2 Å²	61.2	30%	0.302	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-85.6	152.2	168.1	-79.5	179.8	170.5	172.3	-3.1	109.7	D211 G223 P225 Y232 H233	D211-R230 PolarHBondContact O-NH2 2.91Å; G223-R230 PolarHBondContact O-NH1 3.36Å; P225-R230 HydrophobicContact CG-CG 4.19Å; R230-Y232 PolarHBondContact O-N 2.97Å; R230-H233 HydrophobicContact CB-CB 4.42Å; R230-H233 CarbonylContact O-C 3.56Å; R230-H233 PolarHBondContact O-N 3.49Å
231	P	52.4	Low	76.7	Confident	125 Å²	125	54.9 Å²	54.9	81%	0.812	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-15.3	179.4	-27.8	35.8	0	0	0	115.9
232	Y	51.5	Low	76.7	Confident	212 Å²	212	57.3 Å²	57.3	83%	0.831	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	2.5	-179.8	-52.6	-71.5	0	0	0	113.9	R230	R230-Y232 PolarHBondContact O-N 2.97Å
233	H	57.5	Low	76.3	Confident	72 Å²	72	58.5 Å²	58.5	33%	0.333	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-133	111.2	177.2	-62.7	-73.8	0	0	0	110	R230 L235	R230-H233 HydrophobicContact CB-CB 4.42Å; R230-H233 CarbonylContact O-C 3.56Å; R230-H233 PolarHBondContact O-N 3.49Å; H233-L235 PolarHBondContact O-N 3.47Å
234	S	61.2	Low	76.1	Confident	117 Å²	117	63 Å²	63	82%	0.818	34%	0.338	S	S	*	.	S	Bend	trans	-75.9	3.5	-179	51.1	0	0	0	0	114.7
235	L	69.8	Low	75.9	Confident	82 Å²	82	61.8 Å²	61.8	43%	0.429	34%	0.338	S	S	.	.			trans	-140	144	-172	-68.3	174.2	0	0	0	110.9	Y224 H233 V240	Y224-L235 WeakPolarHBondContact CD1-O 3.5Å; Y224-L235 HydrophobicContact CE1-CB 4.13Å; H233-L235 PolarHBondContact O-N 3.47Å; L235-V240 HydrophobicContact CB-CG2 4.03Å; L235-V240 HydrophobicContact CD1-CG2 4.34Å
236	N	82.6	Confident	75.1	Confident	12 Å²	12	70 Å²	70	6%	0.064	37%	0.368	C	S	.	.			trans	-118.3	158	-178.1	-52.1	-11.8	0	0	0	109.9	L227 P229 I238 T239 V240	L227-N236 VanDerWaalsContact C-ND2 3.32Å; L227-N236 PolarHBondContact O-ND2 3.5Å; P229-N236 WeakPolarHBondContact CA-OD1 3.47Å; P229-N236 WeakPolarHBondContact CB-OD1 3.41Å; P229-N236 VanDerWaalsContact CD-ND2 3.29Å; P229-N236 WeakPolarHBondContact CD-ND2 3.42Å; P229-N236 WeakPolarHBondContact CG-ND2 3.26Å; P229-N236 WeakPolarHBondContact CG-OD1 3.26Å; N236-I238 VanDerWaalsContact C-N 3.3Å; N236-I238 HydrophobicContact CB-CG2 4.14Å; N236-I238 PolarHBondContact O-N 3.18Å; N236-T239 PolarHBondContact N-OG1 2.76Å; N236-T239 PolarHBondContact O-N 2.92Å; N236-T239 PolarHBondContact O-OG1 2.67Å; N236-V240 WeakPolarHBondContact O-CG2 3.47Å; N236-V240 PolarHBondContact O-N 2.95Å
237	A	86.4	Confident	73.2	Confident	3 Å²	3	75.5 Å²	75.5	3%	0.025	40%	0.397	C	S	.	.	H	α-helix	trans	-53.3	-46.8	178.6	0	0	0	0	0	112.1	C189 L197 C215 P225 L226 T239 V240 L241	C189-A237 HydrophobicContact CB-CB 4.39Å; L197-A237 HydrophobicContact CD1-CB 3.99Å; C215-A237 VanDerWaalsContact SG-CB 3.54Å; P225-A237 PolarHBondContact O-N 2.91Å; L226-A237 HydrophobicContact CD2-CB 3.95Å; A237-T239 PolarHBondContact O-N 2.72Å; A237-V240 PolarHBondContact O-N 3.25Å; A237-L241 VanDerWaalsContact O-CB 3.3Å; A237-L241 WeakPolarHBondContact O-CB 3.29Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 2.94Å
238	I	86.8	Confident	71.6	Confident	20 Å²	20	78.6 Å²	78.6	10%	0.103	44%	0.436	C	S	.	.	H	α-helix	trans	-58.3	-43.1	177.7	-178.2	60.1	0	0	0	112.7	F194 L197 V201 L226 L227 N236 Q242	F194-I238 HydrophobicContact CD2-CD1 4Å; F194-I238 HydrophobicContact CE2-CD1 3.69Å; L197-I238 HydrophobicContact CB-CB 4.4Å; L197-I238 HydrophobicContact CB-CD1 3.77Å; L197-I238 HydrophobicContact CD1-CB 4.28Å; V201-I238 HydrophobicContact CG2-CG1 4.41Å; L226-I238 WeakPolarHBondContact O-CG2 3.49Å; L226-I238 PolarHBondContact O-N 2.86Å; L226-I238 VanDerWaalsContact O-N 3.14Å; L227-I238 HydrophobicContact CD2-CB 4.11Å; L227-I238 HydrophobicContact CD2-CG2 3.99Å; N236-I238 VanDerWaalsContact C-N 3.3Å; N236-I238 HydrophobicContact CB-CG2 4.14Å; N236-I238 PolarHBondContact O-N 3.18Å; I238-Q242 WeakPolarHBondContact O-CB 3.49Å; I238-Q242 PolarHBondContact O-N 3.3Å
239	T	84.9	Confident	69.7	Low	62 Å²	62	80.2 Å²	80.2	38%	0.38	45%	0.45	S	S	.	.	H	α-helix	trans	-70.5	-38.3	-178.8	51	0	0	0	0	112.7	N236 A237 A243	N236-T239 PolarHBondContact N-OG1 2.76Å; N236-T239 PolarHBondContact O-N 2.92Å; N236-T239 PolarHBondContact O-OG1 2.67Å; A237-T239 PolarHBondContact O-N 2.72Å; T239-A243 PolarHBondContact O-N 3.02Å
240	V	83.9	Confident	68.3	Low	27 Å²	27	84.1 Å²	84.1	16%	0.164	47%	0.466	C	S	.	.	H	α-helix	trans	-71	-43.3	178.4	175.9	0	0	0	0	110.5	F221 L235 N236 A237 A243 K244	F221-V240 HydrophobicContact CD1-CG1 4.49Å; F221-V240 HydrophobicContact CE1-CG1 3.73Å; F221-V240 HydrophobicContact CE2-CG1 4.1Å; F221-V240 HydrophobicContact CZ-CG1 3.5Å; F221-V240 VanDerWaalsContact CZ-CG1 3.5Å; L235-V240 HydrophobicContact CB-CG2 4.03Å; L235-V240 HydrophobicContact CD1-CG2 4.34Å; N236-V240 WeakPolarHBondContact O-CG2 3.47Å; N236-V240 PolarHBondContact O-N 2.95Å; A237-V240 PolarHBondContact O-N 3.25Å; V240-A243 PolarHBondContact O-N 2.88Å; V240-K244 WeakPolarHBondContact O-CB 3.38Å; V240-K244 PolarHBondContact O-N 3.43Å
241	L	86.7	Confident	67.1	Low	1 Å²	1	86.1 Å²	86.1	1%	0.005	49%	0.489	C	S	.	.	H	α-helix	trans	-69.2	-34.7	175.8	-69.3	170.4	0	0	0	112.1	C189 F194 L197 A237 A243 K244 C245	C189-L241 HydrophobicContact CB-CD1 4.29Å; F194-L241 HydrophobicContact CB-CB 4.44Å; F194-L241 HydrophobicContact CD2-CB 3.85Å; L197-L241 HydrophobicContact CD1-CD1 3.77Å; A237-L241 VanDerWaalsContact O-CB 3.3Å; A237-L241 WeakPolarHBondContact O-CB 3.29Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 2.94Å; L241-A243 VanDerWaalsContact C-N 3.28Å; L241-A243 PolarHBondContact O-N 2.92Å; L241-K244 PolarHBondContact O-N 3.13Å; L241-C245 WeakPolarHBondContact O-CA 3.12Å; L241-C245 WeakPolarHBondContact O-CB 3.14Å; L241-C245 PolarHBondContact O-N 3.25Å; L241-C245 PolarHBondContact O-SG 3.37Å; L241-C245 VanDerWaalsContact O-SG 3.39Å
242	Q	85.3	Confident	66	Low	85 Å²	85	84.7 Å²	84.7	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-37.6	171.8	-178	173	-26.3	0	0	112	F194 I238 R246	F194-Q242 HydrophobicContact CE2-CB 3.86Å; F194-Q242 HydrophobicContact CZ-CB 4.34Å; I238-Q242 WeakPolarHBondContact O-CB 3.49Å; I238-Q242 PolarHBondContact O-N 3.3Å; Q242-R246 WeakPolarHBondContact O-CB 3.27Å
243	A	81.3	Confident	64.9	Low	77 Å²	77	85 Å²	85	64%	0.636	49%	0.488	S	S	*	.	H	α-helix	trans	-73.2	-40.6	174.4	0	0	0	0	0	112.5	T239 V240 L241	T239-A243 PolarHBondContact O-N 3.02Å; V240-A243 PolarHBondContact O-N 2.88Å; L241-A243 VanDerWaalsContact C-N 3.28Å; L241-A243 PolarHBondContact O-N 2.92Å
244	K	82.4	Confident	63.8	Low	118 Å²	118	86.8 Å²	86.8	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-80.9	-30.4	-173.2	-171	179.8	178.3	-173	0	114.6	V240 L241	V240-K244 WeakPolarHBondContact O-CB 3.38Å; V240-K244 PolarHBondContact O-N 3.43Å; L241-K244 PolarHBondContact O-N 3.13Å
245	C	82.4	Confident	62.5	Low	34 Å²	34	87.3 Å²	87.3	23%	0.23	50%	0.504	C	S	.	.	H	α-helix	trans	-113.7	-14.3	-167.5	-51.3	0	0	0	0	114	C191 L241	C191-C245 WeakPolarHBondContact CA-SG 3.27Å; C191-C245 HydrophobicContact CB-CB 3.74Å; C191-C245 WeakPolarHBondContact CB-SG 3.49Å; C191-C245 WeakPolarHBondContact SG-CB 3.16Å; C191-C245 CovalentContact SG-SG 2.04Å; C191-C245 PolarHBondContact SG-SG 3.01Å; L241-C245 WeakPolarHBondContact O-CA 3.12Å; L241-C245 WeakPolarHBondContact O-CB 3.14Å; L241-C245 PolarHBondContact O-N 3.25Å; L241-C245 PolarHBondContact O-SG 3.37Å; L241-C245 VanDerWaalsContact O-SG 3.39Å
246	R	70.3	Confident	60.5	Low	175 Å²	175	88.8 Å²	88.8	66%	0.66	52%	0.521	S	S	*	.	S	Bend	trans	-81.2	-18.6	178.9	-167.6	169.9	177.4	158.3	-0.1	113.5	Q242	Q242-R246 WeakPolarHBondContact O-CB 3.27Å
247	N	50.1	Low	58.1	Low	115 Å²	115	96.1 Å²	96.1	62%	0.615	56%	0.555	S	S	*	*	S	Bend	trans	-114	118.2	174.5	-69.3	-7.8	0	0	0	109.1	S249	N247-S249 PolarHBondContact O-N 3.31Å
248	G	49.9	Very low	55.7	Low	94 Å²	94	101.6 Å²	101.6	97%	0.969	59%	0.59	S	S	*	*			trans	-76.3	59.8	-177.7	0	0	0	0	0	114.4
249	S	36.5	Very low	52.9	Low	93 Å²	93	107 Å²	107	65%	0.65	62%	0.624	S	S	*	*			trans	-153.3	131.9	172.8	54.6	0	0	0	0	112.4	N247	N247-S249 PolarHBondContact O-N 3.31Å
250	L	32.4	Very low	50.6	Low	163 Å²	163	109.3 Å²	109.3	85%	0.853	64%	0.64	S	S	*	*			trans	-66.2	133.6	172.7	-72.9	162	0	0	0	110.5	A252	L250-A252 PolarHBondContact O-N 3.01Å
251	P	34.7	Very low	48	Very low	121 Å²	121	119.2 Å²	119.2	79%	0.786	68%	0.676	S	S	*	*			trans	-68.1	114.6	147	29.8	-29	0	0	0	107.3	R253	P251-R253 PolarHBondContact O-N 3.45Å
252	A	29.1	Very low	45.1	Very low	95 Å²	95	124 Å²	124	79%	0.785	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-63	119.8	178.2	0	0	0	0	0	110.1	L250	L250-A252 PolarHBondContact O-N 3.01Å
253	R	29.8	Very low	42.5	Very low	218 Å²	218	127 Å²	127	82%	0.823	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-66.6	129.8	168.1	172.6	176	167.4	170.3	-3.3	108.4	P251 V255	P251-R253 PolarHBondContact O-N 3.45Å; R253-V255 PolarHBondContact O-N 3.05Å
254	P	33.5	Very low	39.9	Very low	111 Å²	111	130.7 Å²	130.7	72%	0.721	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-56.2	127.6	171.1	-25.4	35	0	0	0	110.8
255	V	33.6	Very low	37.3	Very low	128 Å²	128	128.4 Å²	128.4	78%	0.776	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-81.3	119	176.3	176.9	0	0	0	0	108.9	R253	R253-V255 PolarHBondContact O-N 3.05Å
256	S	27.8	Very low	34.8	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	77%	0.77	S	S	*	*			trans	-130.2	89	161.8	48	0	0	0	0	109.1
257	H	31.4	Very low	32.7	Very low	167 Å²	167	136.5 Å²	136.5	77%	0.773	78%	0.778	S	S	*	*			trans	-83.5	154.8	161.1	-90.7	-67.7	0	0	0	109.7
258	P	36.1	Very low	31.5	Very low	117 Å²	117	139.2 Å²	139.2	76%	0.76	79%	0.787	S	S	*	*			trans	-82	148.9	-161.9	32.3	-36.7	0	0	0	113.7
259	T	28.9	Very low	31.4	Very low	135 Å²	135	139.3 Å²	139.3	83%	0.828	77%	0.771	S	S	*	*			trans	-123.3	126.2	165.3	49.4	0	0	0	0	109.9
260	P	37.1	Very low	30.9	Very low	110 Å²	110	141.9 Å²	141.9	71%	0.714	78%	0.777	S	S	*	*			trans	-87.2	179.3	176.7	34.9	-34.1	0	0	0	113
261	Y	28.3	Very low	30.8	Very low	235 Å²	235	141.9 Å²	141.9	92%	0.922	77%	0.773	S	S	*	*			trans	84.4	147.1	175.1	-73.4	-84.1	0	0	0	118.5
262	S	27.3	Very low	30.6	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	77%	0.767	S	S	*	*			trans	-116.5	148.4	-172.2	169.9	0	0	0	0	109.6
263	T	29.2	Very low	30.6	Very low	149 Å²	149	143.6 Å²	143.6	91%	0.914	77%	0.772	S	S	*	*			trans	-150.9	168.3	143	6.7	0	0	0	0	110
264	D	26.2	Very low	30.5	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	77%	0.765	S	S	*	*			trans	-122.3	174.5	-152.7	-168.1	11.3	0	0	0	112.8
265	A	29.6	Very low	30.2	Very low	69 Å²	69	141.4 Å²	141.4	57%	0.57	78%	0.776	S	S	*	*			trans	84.3	115.1	151.3	0	0	0	0	0	121.9
266	Q	28.1	Very low	30.2	Very low	158 Å²	158	140.8 Å²	140.8	74%	0.738	77%	0.768	S	S	*	*				97.6	125.9	126.8	-76.8	179.7	25.4	0	0	124
267	R	26.4	Very low	30.5	Very low	221 Å²	221	141.3 Å²	141.3	83%	0.834	77%	0.769	S	S	*	*			trans	92.5	105	134.7	-80.6	174.4	169	147.1	-8.6	122.6
268	E	25.6	Very low	30.3	Very low	173 Å²	173	139.8 Å²	139.8	81%	0.808	77%	0.766	S	S	*	*			trans	-58.7	175.4	139.1	-61.8	-68.1	153.9	0	0	113
269	P	48.2	Very low	29.8	Very low	96 Å²	96	142.4 Å²	142.4	62%	0.623	77%	0.769	S	S	*	*			cis	-136	-156.9	6.6	30.5	-4.6	0	0	0	115
270	D	26.5	Very low	29.8	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	76%	0.764	S	S	*	*			trans	88.1	144.9	157.1	-53.2	-18.9	0	0	0	119.7
271	E	30.6	Very low	29.4	Very low	163 Å²	163	144.8 Å²	144.8	76%	0.762	77%	0.768	S	S	*	*			cis	-159.2	156.5	-44.3	-140.5	-158.3	-162.9	0	0	111.3
272	N	28.9	Very low	29.5	Very low	125 Å²	125	139.1 Å²	139.1	67%	0.668	76%	0.763	S	S	*	*			trans	42.2	107	156.9	-84.5	-45	0	0	0	122.9
273	S	30.5	Very low	29.5	Very low	127 Å²	127	141 Å²	141	89%	0.888	77%	0.77	S	S	*	*				176	145.5	110.6	44.6	0	0	0	0	112.2
274	G	27.5	Very low	29.5	Very low	64 Å²	64	142.1 Å²	142.1	66%	0.66	77%	0.765	S	S	*	*			cis	152.6	86.3	-10.8	0	0	0	0	0	114.3
275	F	25.8	Very low	29.7	Very low	218 Å²	218	140.5 Å²	140.5	96%	0.956	76%	0.762	S	S	*	*			trans	-161.5	137.6	159.3	-118.1	-76.9	0	0	0	111.2
276	N	33.3	Very low	30.2	Very low	116 Å²	116	143 Å²	143	62%	0.62	77%	0.773	S	S	*	*			trans	-108.3	153.8	175.8	-140.5	43.1	0	0	0	109.6	D278	N276-D278 PolarHBondContact ND2-OD1 3.3Å
277	P	34.4	Very low	30.2	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	77%	0.773	S	S	*	*				-140.7	166.2	101.4	39.4	-27.7	0	0	0	114.4
278	D	27.2	Very low	30.7	Very low	135 Å²	135	135 Å²	135	72%	0.722	77%	0.774	S	S	*	*			trans	-79.2	146.7	-172.7	-47.2	-92.4	0	0	0	114.4	N276	N276-D278 PolarHBondContact ND2-OD1 3.3Å
279	E	26.8	Very low	30.6	Very low	172 Å²	172	132.7 Å²	132.7	80%	0.804	78%	0.777	S	S	*	*				-170.2	127.5	116.7	-101.6	-166.9	141.7	0	0	112.5
280	I	28.9	Very low	30.1	Very low	141 Å²	141	134.6 Å²	134.6	72%	0.723	79%	0.787	S	S	*	*			trans	48.2	91.4	146.2	-47.7	164.8	0	0	0	115.6
281	L	28.7	Very low	30.3	Very low	154 Å²	154	134.7 Å²	134.7	81%	0.806	79%	0.793	S	S	*	*			cis	69.8	116.1	33.8	-106.8	179.8	0	0	0	116.7	V283	L281-V283 HydrophobicContact CD2-CG2 4.37Å
282	S	30.4	Very low	30.2	Very low	117 Å²	117	134.2 Å²	134.2	82%	0.818	80%	0.795	S	S	*	*			trans	-108.2	141.6	167.2	-49.3	0	0	0	0	110.1
283	V	26.6	Very low	30.8	Very low	139 Å²	139	133.4 Å²	133.4	84%	0.842	81%	0.806	S	S	*	*			trans	-151.6	148	158.4	-147.5	0	0	0	0	111.7	L281	L281-V283 HydrophobicContact CD2-CG2 4.37Å
284	E	29.1	Very low	31.5	Very low	172 Å²	172	132.1 Å²	132.1	80%	0.804	80%	0.797	S	S	*	*			trans	-72.9	166.7	158.2	-63.2	178.3	98.1	0	0	110.8
285	P	30.6	Very low	32.9	Very low	121 Å²	121	133.6 Å²	133.6	79%	0.786	80%	0.803	S	S	*	*				-149.3	-177.5	80.3	36.6	-14.3	0	0	0	114.3
286	P	39.3	Very low	35	Very low	123 Å²	123	125.7 Å²	125.7	80%	0.799	78%	0.783	S	S	*	*			trans	-101.1	-177.1	-169.7	39.7	-36.9	0	0	0	116
287	A	28.2	Very low	37.1	Very low	88 Å²	88	120.5 Å²	120.5	73%	0.727	76%	0.756	S	S	*	*			trans	85.3	104.9	162.7	0	0	0	0	0	119.8
288	S	36.9	Very low	39.3	Very low	123 Å²	123	116.3 Å²	116.3	86%	0.86	73%	0.731	S	S	*	*			trans	51.1	84.5	147	59.4	0	0	0	0	119.6
289	S	25.2	Very low	42.2	Very low	123 Å²	123	110.7 Å²	110.7	86%	0.86	70%	0.701	S	S	*	*			trans	-138.2	151.7	133.4	66.5	0	0	0	0	109.6
290	T	36.7	Very low	45.1	Very low	136 Å²	136	108.8 Å²	108.8	83%	0.834	69%	0.69	S	S	*	*			trans	-89.5	128.1	-164.6	48.6	0	0	0	0	113.8
291	T	30.1	Very low	47.8	Very low	149 Å²	149	105.9 Å²	105.9	91%	0.914	68%	0.676	S	S	*	*			trans	-165.9	160.3	142.9	6.8	0	0	0	0	112.3
292	D	30	Very low	50.3	Low	153 Å²	153	104.8 Å²	104.8	82%	0.818	67%	0.666	S	S	*	*			trans	-67.2	144.2	-161.9	-84.9	-59.4	0	0	0	117.8	S294	D292-S294 PolarHBondContact O-N 3.21Å
293	A	39.6	Very low	52.6	Low	109 Å²	109	103.9 Å²	103.9	90%	0.901	65%	0.649	S	S	*	*			trans	-90.8	85.2	164.5	0	0	0	0	0	111.7
294	S	47	Very low	55.3	Low	100 Å²	100	98.8 Å²	98.8	70%	0.699	62%	0.618	S	S	*	*			trans	-153.5	136.4	168.1	71.2	0	0	0	0	113.8	D292	D292-S294 PolarHBondContact O-N 3.21Å
295	A	56.5	Low	57.7	Low	94 Å²	94	92.3 Å²	92.3	78%	0.777	59%	0.59	S	S	*	*			trans	-159.1	-41.9	175.5	0	0	0	0	0	114.4
296	G	68.8	Low	60.1	Low	52 Å²	52	91 Å²	91	54%	0.536	57%	0.572	S	S	.	*	S	Bend	trans	-104.6	155.6	-178	0	0	0	0	0	114
297	P	78.4	Confident	62	Low	8 Å²	8	88.6 Å²	88.6	5%	0.052	56%	0.556	C	S	.	*			trans	-71.5	131.3	170.4	31.8	-34.7	0	0	0	110.2	I314 Y323 V361 H372 T373	P297-I314 CarbonylContact C-O 3.57Å; P297-I314 VanDerWaalsContact CA-O 3.29Å; P297-I314 WeakPolarHBondContact CA-O 3.48Å; P297-Y323 HydrophobicContact CB-CE1 4.25Å; P297-Y323 HydrophobicContact CG-CE1 3.86Å; P297-V361 HydrophobicContact CB-CG1 4.1Å; P297-V361 HydrophobicContact CG-CG1 4.48Å; P297-H372 HydrophobicContact CG-CB 3.52Å; P297-T373 WeakPolarHBondContact O-CG2 3.37Å; P297-T373 PolarHBondContact O-OG1 3.08Å
298	A	80.9	Confident	64.8	Low	33 Å²	33	85.8 Å²	85.8	27%	0.273	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.9	-175.5	0	0	0	0	0	111.3	V313 I314	A298-V313 CarbonylContact O-C 3.58Å; A298-V313 WeakPolarHBondContact O-CA 3.25Å; A298-I314 PolarHBondContact N-O 2.91Å; A298-I314 PolarHBondContact O-N 3.38Å
299	I	88.4	Confident	67.2	Low	18 Å²	18	80 Å²	80	9%	0.092	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.6	173.1	-176	165.5	0	0	0	108.9	L311 V313 L325 F359 V361 L375	I299-L311 HydrophobicContact CD1-CD1 3.91Å; I299-V313 HydrophobicContact CD1-CG2 4.04Å; I299-V313 HydrophobicContact CG1-CG2 4.05Å; I299-L325 HydrophobicContact CD1-CD1 3.56Å; I299-F359 HydrophobicContact CD1-CB 4.49Å; I299-V361 HydrophobicContact CB-CG2 3.87Å; I299-V361 HydrophobicContact CD1-CG2 4.15Å; I299-V361 HydrophobicContact CG2-CG2 4.25Å; I299-L375 HydrophobicContact CD1-CB 4.37Å; I299-L375 HydrophobicContact CG1-CB 4.27Å; I299-L375 HydrophobicContact CG1-CD2 3.97Å; I299-L375 HydrophobicContact CG2-CB 3.9Å
300	K	85.8	Confident	70.1	Confident	132 Å²	132	75.6 Å²	75.6	57%	0.574	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.5	-178.6	-64.9	-170.4	177.2	-172	0	110.6	L311 V312	K300-L311 WeakPolarHBondContact O-CA 3.5Å; K300-V312 PolarHBondContact N-O 2.7Å; K300-V312 PolarHBondContact O-N 3.05Å
301	L	85.5	Confident	72.6	Confident	79 Å²	79	69.1 Å²	69.1	41%	0.414	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.1	169.9	-159.3	58.3	0	0	0	108.4	V304 L311 L375 F377	L301-V304 HydrophobicContact CD1-CG2 3.46Å; L301-V304 VanDerWaalsContact CD1-CG2 3.46Å; L301-V304 HydrophobicContact CD2-CG2 3.75Å; L301-V304 HydrophobicContact CG-CG2 3.78Å; L301-L311 HydrophobicContact CD1-CD2 3.41Å; L301-L311 VanDerWaalsContact CD1-CD2 3.41Å; L301-L375 HydrophobicContact CB-CD1 4.48Å; L301-L375 HydrophobicContact CB-CD2 4.03Å; L301-L375 HydrophobicContact CD1-CD2 4.25Å; L301-F377 HydrophobicContact CD1-CB 4.21Å; L301-F377 HydrophobicContact CD1-CD1 3.84Å; L301-F377 HydrophobicContact CD1-CD2 4.46Å; L301-F377 HydrophobicContact CD1-CE1 4.31Å; L301-F377 HydrophobicContact CD1-CG 3.92Å; L301-F377 HydrophobicContact CD2-CB 3.95Å
302	H	83	Confident	75.4	Confident	132 Å²	132	62.7 Å²	62.7	61%	0.611	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	-41.1	174.7	-173.4	-35.5	0	0	0	111.5	T310 V312	H302-T310 HydrophobicContact CB-CG2 4.32Å; H302-T310 WeakPolarHBondContact CB-O 3.28Å; H302-T310 PolarHBondContact N-O 3.21Å; H302-V312 HydrophobicContact CB-CG2 3.99Å
303	H	77.9	Confident	78.2	Confident	98 Å²	98	55.4 Å²	55.4	45%	0.454	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	149.1	178.9	-169.6	-111.9	0	0	0	110	A309 T310	H303-A309 CarbonylContact O-C 3.52Å; H303-A309 WeakPolarHBondContact O-CA 3.48Å; H303-T310 PolarHBondContact N-O 2.92Å; H303-T310 PolarHBondContact O-N 3.49Å
304	V	82.3	Confident	80.4	Confident	31 Å²	31	53.3 Å²	53.3	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.8	174.2	178.8	0	0	0	0	108.7	L301 A309 F377 T379	L301-V304 HydrophobicContact CD1-CG2 3.46Å; L301-V304 VanDerWaalsContact CD1-CG2 3.46Å; L301-V304 HydrophobicContact CD2-CG2 3.75Å; L301-V304 HydrophobicContact CG-CG2 3.78Å; V304-A309 HydrophobicContact CG2-CB 4.07Å; V304-F377 HydrophobicContact CG1-CD2 4.2Å; V304-F377 HydrophobicContact CG1-CE2 4.49Å; V304-F377 HydrophobicContact CG2-CD2 3.88Å; V304-F377 HydrophobicContact CG2-CE2 4.34Å; V304-F377 HydrophobicContact CG2-CG 4.37Å; V304-T379 HydrophobicContact CG1-CG2 4.44Å
305	T	80.6	Confident	82.1	Confident	36 Å²	36	48.6 Å²	48.6	22%	0.221	28%	0.28	C	S	.	.			trans	-118.1	-175.1	171.6	77.9	0	0	0	0	110.4	T307 S308	T305-T307 PolarHBondContact O-N 2.87Å; T305-T307 PolarHBondContact OG1-N 3.43Å; T305-S308 PolarHBondContact N-O 3.4Å; T305-S308 PolarHBondContact OG1-N 3.42Å; T305-S308 PolarHBondContact OG1-O 2.83Å; T305-S308 PolarHBondContact OG1-OG 3.42Å
306	F	79.9	Confident	82.9	Confident	93 Å²	93	45.6 Å²	45.6	41%	0.408	25%	0.252	S	S	.	.	S	Bend	trans	-61.5	-26.9	173.1	-167.1	-108.8	0	0	0	113.6	A353 H354	F306-A353 HydrophobicContact CD1-CB 3.85Å; F306-A353 HydrophobicContact CD2-CB 3.85Å; F306-A353 HydrophobicContact CE1-CB 3.52Å; F306-A353 HydrophobicContact CE2-CB 3.54Å; F306-A353 HydrophobicContact CG-CB 4Å; F306-A353 HydrophobicContact CZ-CB 3.35Å; F306-A353 WeakPolarHBondContact O-CA 3.46Å; F306-H354 AromaticContact CE2-CE1 3.82Å; F306-H354 AromaticContact CE2-ND1 3.96Å
307	T	80.8	Confident	82.5	Confident	74 Å²	74	48.4 Å²	48.4	45%	0.454	25%	0.251	S	S	.	.	S	Bend	trans	-140.4	1.9	-172.7	47.3	0	0	0	0	115.6	T305 K350 L351	T305-T307 PolarHBondContact O-N 2.87Å; T305-T307 PolarHBondContact OG1-N 3.43Å; T307-K350 PolarHBondContact O-N 2.89Å; T307-L351 WeakPolarHBondContact CA-O 3.44Å; T307-L351 WeakPolarHBondContact O-CB 3.44Å; T307-L351 PolarHBondContact O-N 3.45Å
308	S	85.6	Confident	81.3	Confident	28 Å²	28	53.3 Å²	53.3	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	161.5	176.5	66.1	0	0	0	0	112.9	T305 L348 D349	T305-S308 PolarHBondContact N-O 3.4Å; T305-S308 PolarHBondContact OG1-N 3.42Å; T305-S308 PolarHBondContact OG1-O 2.83Å; T305-S308 PolarHBondContact OG1-OG 3.42Å; S308-L348 CarbonylContact C-O 3.58Å; S308-L348 WeakPolarHBondContact CA-O 3.22Å; S308-L348 WeakPolarHBondContact CB-O 3.25Å; S308-D349 WeakPolarHBondContact CB-OD1 3.46Å
309	A	87.3	Confident	80.4	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.5	173.8	0	0	0	0	0	112	H303 V304 L348 L351 F377	H303-A309 CarbonylContact O-C 3.52Å; H303-A309 WeakPolarHBondContact O-CA 3.48Å; V304-A309 HydrophobicContact CG2-CB 4.07Å; A309-L348 PolarHBondContact N-O 3.26Å; A309-L348 WeakPolarHBondContact O-CB 3.35Å; A309-L348 PolarHBondContact O-N 2.88Å; A309-L351 HydrophobicContact CB-CD1 3.8Å; A309-F377 HydrophobicContact CB-CD2 4.33Å; A309-F377 HydrophobicContact CB-CE1 4.34Å; A309-F377 HydrophobicContact CB-CE2 3.4Å; A309-F377 HydrophobicContact CB-CZ 3.41Å; A309-F377 VanDerWaalsContact CB-CZ 3.41Å
310	T	87.6	Confident	79.2	Confident	31 Å²	31	60.4 Å²	60.4	19%	0.19	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.7	175.8	-51.9	0	0	0	0	109.3	H302 H303 I345 V346 T347	H302-T310 HydrophobicContact CB-CG2 4.32Å; H302-T310 WeakPolarHBondContact CB-O 3.28Å; H302-T310 PolarHBondContact N-O 3.21Å; H303-T310 PolarHBondContact N-O 2.92Å; H303-T310 PolarHBondContact O-N 3.49Å; T310-I345 HydrophobicContact CG2-CG2 3.59Å; T310-V346 WeakPolarHBondContact CA-O 3.35Å; T310-T347 HydrophobicContact CG2-CG2 4.32Å
311	L	89.5	Confident	78.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.6	176.4	-51	-170.1	0	0	0	110.4	I299 K300 L301 I345 V346 L348 F359 L375 F377	I299-L311 HydrophobicContact CD1-CD1 3.91Å; K300-L311 WeakPolarHBondContact O-CA 3.5Å; L301-L311 HydrophobicContact CD1-CD2 3.41Å; L301-L311 VanDerWaalsContact CD1-CD2 3.41Å; L311-I345 WeakPolarHBondContact O-CA 3.13Å; L311-V346 HydrophobicContact CB-CB 4.44Å; L311-V346 PolarHBondContact N-O 3.1Å; L311-V346 PolarHBondContact O-N 3.48Å; L311-L348 HydrophobicContact CD1-CD1 3.55Å; L311-L348 HydrophobicContact CG-CD1 3.79Å; L311-F359 HydrophobicContact CD1-CB 4.09Å; L311-F359 HydrophobicContact CD1-CD2 4.38Å; L311-F359 HydrophobicContact CD1-CG 4.19Å; L311-L375 HydrophobicContact CD2-CD2 3.88Å; L311-F377 HydrophobicContact CD1-CE1 4.33Å; L311-F377 HydrophobicContact CD2-CD1 4.37Å; L311-F377 HydrophobicContact CD2-CE1 3.88Å
312	V	88.4	Confident	78.4	Confident	14 Å²	14	59.6 Å²	59.6	9%	0.085	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111.9	170.2	175.5	0	0	0	0	107.8	K300 H302 I314 K343 I345	K300-V312 PolarHBondContact N-O 2.7Å; K300-V312 PolarHBondContact O-N 3.05Å; H302-V312 HydrophobicContact CB-CG2 3.99Å; V312-I314 HydrophobicContact CG1-CD1 4.42Å; V312-I314 HydrophobicContact CG1-CG1 4.17Å; V312-K343 HydrophobicContact CG1-CD 4.37Å; V312-K343 HydrophobicContact CG1-CG 3.98Å; V312-I345 HydrophobicContact CG2-CG1 4.32Å; V312-I345 HydrophobicContact CG2-CG2 4.48Å
313	V	87.9	Confident	78.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.3	174.9	-173.7	0	0	0	0	108.9	A298 I299 I315 L325 L339 K343 E344 V346 V361	A298-V313 CarbonylContact O-C 3.58Å; A298-V313 WeakPolarHBondContact O-CA 3.25Å; I299-V313 HydrophobicContact CD1-CG2 4.04Å; I299-V313 HydrophobicContact CG1-CG2 4.05Å; V313-I315 HydrophobicContact CG1-CG1 4.4Å; V313-L325 HydrophobicContact CG2-CD1 4.42Å; V313-L339 HydrophobicContact CB-CD2 4.06Å; V313-L339 HydrophobicContact CG1-CD1 3.81Å; V313-L339 HydrophobicContact CG1-CD2 4.03Å; V313-L339 HydrophobicContact CG2-CD2 4.12Å; V313-K343 CarbonylContact O-C 3.56Å; V313-K343 VanDerWaalsContact O-CA 3.31Å; V313-K343 WeakPolarHBondContact O-CA 3.39Å; V313-E344 PolarHBondContact N-O 2.8Å; V313-E344 PolarHBondContact O-N 3.23Å; V313-V346 HydrophobicContact CG2-CG2 4.39Å; V313-V361 HydrophobicContact CG1-CG2 3.67Å; V313-V361 HydrophobicContact CG2-CG2 4.48Å
314	I	85.7	Confident	79	Confident	65 Å²	65	49.4 Å²	49.4	33%	0.333	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.5	-179.5	-58.9	177	0	0	0	108.2	P297 A298 V312 K342 K343	P297-I314 CarbonylContact C-O 3.57Å; P297-I314 VanDerWaalsContact CA-O 3.29Å; P297-I314 WeakPolarHBondContact CA-O 3.48Å; A298-I314 PolarHBondContact N-O 2.91Å; A298-I314 PolarHBondContact O-N 3.38Å; V312-I314 HydrophobicContact CG1-CD1 4.42Å; V312-I314 HydrophobicContact CG1-CG1 4.17Å; I314-K342 CarbonylContact C-O 3.54Å; I314-K342 VanDerWaalsContact CA-O 3.29Å; I314-K342 WeakPolarHBondContact CA-O 3.48Å; I314-K342 WeakPolarHBondContact CG2-O 3.43Å; I314-K343 HydrophobicContact CG1-CG 4.3Å
315	I	83.9	Confident	79.3	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.257	C	S	.	.			trans	-118.7	131.3	-176.4	-65.4	174.2	0	0	0	110	V313 Y319 Y323 L339 K342	V313-I315 HydrophobicContact CG1-CG1 4.4Å; I315-Y319 HydrophobicContact CB-CE1 4.27Å; I315-Y319 HydrophobicContact CG2-CD1 3.72Å; I315-Y319 HydrophobicContact CG2-CE1 3.82Å; I315-Y323 HydrophobicContact CD1-CD2 4.08Å; I315-Y323 HydrophobicContact CD1-CG 4.14Å; I315-Y323 HydrophobicContact CG1-CD2 4.45Å; I315-Y323 HydrophobicContact CG2-CD2 3.65Å; I315-Y323 HydrophobicContact CG2-CE2 3.67Å; I315-L339 HydrophobicContact CD1-CB 3.46Å; I315-L339 VanDerWaalsContact CD1-CB 3.46Å; I315-L339 HydrophobicContact CD1-CD1 4.26Å; I315-L339 HydrophobicContact CD1-CG 4.44Å; I315-K342 PolarHBondContact N-O 2.9Å
316	P	73.5	Confident	79.7	Confident	31 Å²	31	46.2 Å²	46.2	20%	0.201	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-64.9	137.8	175.9	27.7	-35.6	0	0	0	111.2
317	H	59.2	Low	80.2	Confident	111 Å²	111	44 Å²	44	51%	0.514	24%	0.237	S	C	.	.	S	Bend	trans	-86.9	149.3	166.8	-95	54.9	0	0	0	110	Y319	H317-Y319 AromaticContact CE1-CE1 3.92Å; H317-Y319 AromaticContact CE1-CE2 3.41Å; H317-Y319 VanDerWaalsContact CE1-CE2 3.41Å; H317-Y319 WeakPolarHBondContact CE1-CE2 3.22Å; H317-Y319 AromaticContact CE1-CZ 3.24Å; H317-Y319 PolarHBondContact CE1-OH 3.41Å; H317-Y319 VanDerWaalsContact CE1-OH 3.24Å; H317-Y319 AromaticContact ND1-CE1 3.95Å; H317-Y319 AromaticContact ND1-CZ 3.75Å; H317-Y319 AromaticContact NE2-CE2 3.74Å
318	P	53.8	Low	80.4	Confident	111 Å²	111	43.8 Å²	43.8	72%	0.721	23%	0.229	S	C	*	.	S	Bend	cis	-80.6	154.2	-6.6	32.7	-35	0	0	0	112.8	S320	P318-S320 VanDerWaalsContact C-N 3.29Å; P318-S320 PolarHBondContact O-N 3.3Å
319	Y	62.7	Low	80.2	Confident	100 Å²	100	47.3 Å²	47.3	39%	0.392	25%	0.246	S	C	.	.			trans	-72.2	72	-177	-52	-71	0	0	0	113.6	I315 H317 K321 K340 N341 K342	I315-Y319 HydrophobicContact CB-CE1 4.27Å; I315-Y319 HydrophobicContact CG2-CD1 3.72Å; I315-Y319 HydrophobicContact CG2-CE1 3.82Å; H317-Y319 AromaticContact CE1-CE1 3.92Å; H317-Y319 AromaticContact CE1-CE2 3.41Å; H317-Y319 VanDerWaalsContact CE1-CE2 3.41Å; H317-Y319 WeakPolarHBondContact CE1-CE2 3.22Å; H317-Y319 AromaticContact CE1-CZ 3.24Å; H317-Y319 PolarHBondContact CE1-OH 3.41Å; H317-Y319 VanDerWaalsContact CE1-OH 3.24Å; H317-Y319 AromaticContact ND1-CE1 3.95Å; H317-Y319 AromaticContact ND1-CZ 3.75Å; H317-Y319 AromaticContact NE2-CE2 3.74Å; Y319-K321 PolarHBondContact O-N 2.83Å; Y319-K340 PolarHBondContact OH-O 3.14Å; Y319-N341 WeakPolarHBondContact OH-CA 3.49Å; Y319-K342 PolarHBondContact OH-N 3.39Å
320	S	63.3	Low	79	Confident	100 Å²	100	54.4 Å²	54.4	70%	0.699	28%	0.284	S	S	*	.			trans	-72.7	-3.9	176.6	55.6	0	0	0	0	114.8	P318	P318-S320 VanDerWaalsContact C-N 3.29Å; P318-S320 PolarHBondContact O-N 3.3Å
321	K	71.8	Confident	77.9	Confident	92 Å²	92	59 Å²	59	40%	0.4	32%	0.317	S	S	.	.	S	Bend	trans	-146	144.7	-174.5	-58	174	-168	166.2	0	110	Y319 Y323	Y319-K321 PolarHBondContact O-N 2.83Å; K321-Y323 HydrophobicContact CB-CE2 4.03Å; K321-Y323 VanDerWaalsContact O-CD2 3.31Å; K321-Y323 WeakPolarHBondContact O-CD2 3.45Å
322	M	80.7	Confident	77.1	Confident	102 Å²	102	67.7 Å²	67.7	50%	0.502	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.6	168.3	179.7	179.9	179.1	0	0	109.4	V324 T338 S363 L364	M322-V324 HydrophobicContact CE-CG2 4.08Å; M322-T338 HydrophobicContact CE-CG2 3.52Å; M322-S363 VanDerWaalsContact O-CA 3.28Å; M322-S363 WeakPolarHBondContact O-CA 3.33Å; M322-L364 HydrophobicContact CE-CD1 4.2Å; M322-L364 HydrophobicContact CG-CD1 4.32Å; M322-L364 PolarHBondContact O-N 3.15Å; M322-L364 HydrophobicContact SD-CD1 3.92Å
323	Y	86.3	Confident	76.8	Confident	13 Å²	13	71.9 Å²	71.9	5%	0.051	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145	176.8	-66.6	-82.4	0	0	0	111.7	P297 I315 K321 L339 V361 T362 H372	P297-Y323 HydrophobicContact CB-CE1 4.25Å; P297-Y323 HydrophobicContact CG-CE1 3.86Å; I315-Y323 HydrophobicContact CD1-CD2 4.08Å; I315-Y323 HydrophobicContact CD1-CG 4.14Å; I315-Y323 HydrophobicContact CG1-CD2 4.45Å; I315-Y323 HydrophobicContact CG2-CD2 3.65Å; I315-Y323 HydrophobicContact CG2-CE2 3.67Å; K321-Y323 HydrophobicContact CB-CE2 4.03Å; K321-Y323 VanDerWaalsContact O-CD2 3.31Å; K321-Y323 WeakPolarHBondContact O-CD2 3.45Å; Y323-L339 PolarHBondContact O-N 3.42Å; Y323-V361 HydrophobicContact CD1-CG1 4.01Å; Y323-T362 CarbonylContact C-O 3.45Å; Y323-T362 VanDerWaalsContact CA-O 3.22Å; Y323-T362 WeakPolarHBondContact CA-O 3.28Å; Y323-H372 AromaticContact CE1-CD2 3.99Å; Y323-H372 AromaticContact CE1-NE2 3.95Å
324	V	87.9	Confident	76.7	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.024	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.1	-179.4	178.8	0	0	0	0	108.9	M322 V326 D335 M337 T338 T362 L364	M322-V324 HydrophobicContact CE-CG2 4.08Å; V324-V326 HydrophobicContact CB-CG2 4.42Å; V324-V326 HydrophobicContact CG1-CG2 3.93Å; V324-D335 HydrophobicContact CG1-CB 3.87Å; V324-M337 WeakPolarHBondContact CA-O 3.41Å; V324-M337 WeakPolarHBondContact CG1-O 3.44Å; V324-T338 HydrophobicContact CG2-CG2 4.31Å; V324-T362 PolarHBondContact N-O 3.42Å; V324-T362 PolarHBondContact O-N 3.44Å; V324-T362 PolarHBondContact O-OG1 3.47Å; V324-T362 VanDerWaalsContact O-OG1 3.05Å; V324-L364 HydrophobicContact CG2-CD1 3.61Å
325	L	89.3	Confident	76.7	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.8	169.5	-175.6	67	0	0	0	108.6	I299 V313 V336 M337 L339 V346 F359	I299-L325 HydrophobicContact CD1-CD1 3.56Å; V313-L325 HydrophobicContact CG2-CD1 4.42Å; L325-V336 HydrophobicContact CB-CB 4.42Å; L325-V336 HydrophobicContact CD2-CB 4.34Å; L325-V336 HydrophobicContact CD2-CG1 4.33Å; L325-V336 HydrophobicContact CG-CB 4.33Å; L325-V336 WeakPolarHBondContact O-CB 3.15Å; L325-V336 PolarHBondContact O-N 2.87Å; L325-M337 HydrophobicContact CB-CG 4.09Å; L325-M337 HydrophobicContact CD2-CG 4.38Å; L325-M337 PolarHBondContact N-O 3.2Å; L325-M337 PolarHBondContact O-N 3.42Å; L325-L339 HydrophobicContact CB-CD1 4.07Å; L325-L339 HydrophobicContact CB-CD2 4.28Å; L325-L339 HydrophobicContact CB-CG 4.23Å; L325-V346 HydrophobicContact CD2-CB 4.37Å; L325-V346 HydrophobicContact CD2-CG1 3.82Å; L325-V346 HydrophobicContact CD2-CG2 4.31Å; L325-F359 HydrophobicContact CD1-CB 4.17Å
326	V	88.9	Confident	76.8	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.4	-175	-177.8	0	0	0	0	109.5	V324 Y328 F333 D335 F359 C360 T362	V324-V326 HydrophobicContact CB-CG2 4.42Å; V324-V326 HydrophobicContact CG1-CG2 3.93Å; V326-Y328 HydrophobicContact CB-CE2 4.19Å; V326-Y328 HydrophobicContact CG1-CD2 4.22Å; V326-Y328 HydrophobicContact CG1-CE2 3.81Å; V326-F333 HydrophobicContact CG1-CB 3.82Å; V326-F333 HydrophobicContact CG1-CD2 3.99Å; V326-F333 HydrophobicContact CG1-CG 4.31Å; V326-D335 WeakPolarHBondContact CG2-OD1 3.26Å; V326-F359 CarbonylContact O-C 3.52Å; V326-F359 WeakPolarHBondContact O-CA 3.45Å; V326-C360 PolarHBondContact N-O 3.12Å; V326-C360 PolarHBondContact O-N 3.23Å; V326-T362 HydrophobicContact CB-CG2 3.93Å; V326-T362 HydrophobicContact CG2-CG2 3.6Å; V326-T362 WeakPolarHBondContact CG2-OG1 3.44Å
327	Q	89.4	Confident	77.4	Confident	45 Å²	45	79.7 Å²	79.7	21%	0.21	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.3	171	-173.6	178.9	-27	0	0	109.5	F333 S334 V336 F359	Q327-F333 CarbonylContact O-C 3.05Å; Q327-F333 VanDerWaalsContact O-CA 3.22Å; Q327-F333 WeakPolarHBondContact O-CA 3.29Å; Q327-S334 PolarHBondContact N-O 2.89Å; Q327-S334 PolarHBondContact O-N 3.32Å; Q327-V336 HydrophobicContact CB-CG2 3.86Å; Q327-F359 HydrophobicContact CB-CD1 3.78Å; Q327-F359 HydrophobicContact CB-CE1 3.51Å; Q327-F359 HydrophobicContact CB-CZ 4.21Å; Q327-F359 HydrophobicContact CG-CD1 4.11Å; Q327-F359 HydrophobicContact CG-CE1 3.6Å; Q327-F359 HydrophobicContact CG-CE2 4.4Å; Q327-F359 HydrophobicContact CG-CZ 3.75Å
328	Y	85.2	Confident	78.6	Confident	70 Å²	70	77.4 Å²	77.4	28%	0.275	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.2	173.5	-78.1	-92.7	0	0	0	110.7	V326 F333 T358 C360 N371	V326-Y328 HydrophobicContact CB-CE2 4.19Å; V326-Y328 HydrophobicContact CG1-CD2 4.22Å; V326-Y328 HydrophobicContact CG1-CE2 3.81Å; Y328-F333 HydrophobicContact CD1-CB 3.85Å; Y328-F333 HydrophobicContact CE1-CB 3.74Å; Y328-F333 HydrophobicContact CE1-CG 4.47Å; Y328-F333 HydrophobicContact CG-CB 4.36Å; Y328-T358 PolarHBondContact N-O 3.33Å; Y328-C360 HydrophobicContact CD2-CB 4.24Å; Y328-C360 HydrophobicContact CE2-CB 3.94Å; Y328-N371 PolarHBondContact OH-ND2 2.82Å; Y328-N371 PolarHBondContact OH-OD1 2.81Å
329	N	81.8	Confident	80.1	Confident	103 Å²	103	72.6 Å²	72.6	55%	0.551	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	98.1	179.1	176.9	20.9	0	0	0	109.2	S331 Y332	N329-S331 PolarHBondContact O-N 3.07Å; N329-Y332 PolarHBondContact N-O 3.25Å; N329-Y332 PolarHBondContact O-N 3.27Å
330	N	61.8	Low	80.8	Confident	150 Å²	150	74.7 Å²	74.7	80%	0.802	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	35.7	69.3	170	-64.3	-2	0	0	0	114.6
331	S	64.1	Low	81.6	Confident	126 Å²	126	74 Å²	74	88%	0.881	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-16.5	-176.9	-48.5	0	0	0	0	117.3	N329	N329-S331 PolarHBondContact O-N 3.07Å
332	Y	74	Confident	81.9	Confident	183 Å²	183	75.8 Å²	75.8	72%	0.718	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	155.9	173.9	-66	-86.2	0	0	0	112	N329	N329-Y332 PolarHBondContact N-O 3.25Å; N329-Y332 PolarHBondContact O-N 3.27Å
333	F	82.6	Confident	82.1	Confident	102 Å²	102	77 Å²	77	45%	0.447	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.5	175.8	70.4	-93.3	0	0	0	111.3	V326 Q327 Y328 R369	V326-F333 HydrophobicContact CG1-CB 3.82Å; V326-F333 HydrophobicContact CG1-CD2 3.99Å; V326-F333 HydrophobicContact CG1-CG 4.31Å; Q327-F333 CarbonylContact O-C 3.05Å; Q327-F333 VanDerWaalsContact O-CA 3.22Å; Q327-F333 WeakPolarHBondContact O-CA 3.29Å; Y328-F333 HydrophobicContact CD1-CB 3.85Å; Y328-F333 HydrophobicContact CE1-CB 3.74Å; Y328-F333 HydrophobicContact CE1-CG 4.47Å; Y328-F333 HydrophobicContact CG-CB 4.36Å; F333-R369 VanDerWaalsContact CE2-CZ 3.49Å
334	S	84.9	Confident	82	Confident	60 Å²	60	78 Å²	78	42%	0.42	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	125.2	175.3	55.9	0	0	0	0	110.7	Q327 V336	Q327-S334 PolarHBondContact N-O 2.89Å; Q327-S334 PolarHBondContact O-N 3.32Å; S334-V336 PolarHBondContact O-N 3.04Å
335	D	86.2	Confident	81.9	Confident	77 Å²	77	82.8 Å²	82.8	41%	0.412	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	123.2	175.1	-65	-7.1	0	0	0	109.2	V324 V326 R369	V324-D335 HydrophobicContact CG1-CB 3.87Å; V326-D335 WeakPolarHBondContact CG2-OD1 3.26Å; D335-R369 VanDerWaalsContact CG-NH2 3.31Å; D335-R369 IonicContact OD1-CZ 2.67Å; D335-R369 IonicContact OD1-NE 3.74Å; D335-R369 PolarHBondContact OD1-NE 3.07Å; D335-R369 VanDerWaalsContact OD1-NE 3.07Å; D335-R369 IonicContact OD1-NH2 3.87Å; D335-R369 PolarHBondContact OD1-NH2 2.96Å; D335-R369 IonicContact OD2-CZ 2.61Å; D335-R369 IonicContact OD2-NE 2.75Å; D335-R369 IonicContact OD2-NH2 2.81Å; D335-R369 PolarHBondContact OD2-NH2 2.61Å
336	V	86	Confident	81.7	Confident	54 Å²	54	82.9 Å²	82.9	33%	0.327	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-49.3	-175.9	-176.1	0	0	0	0	110.7	L325 Q327 S334 L348 F359	L325-V336 HydrophobicContact CB-CB 4.42Å; L325-V336 HydrophobicContact CD2-CB 4.34Å; L325-V336 HydrophobicContact CD2-CG1 4.33Å; L325-V336 HydrophobicContact CG-CB 4.33Å; L325-V336 WeakPolarHBondContact O-CB 3.15Å; L325-V336 PolarHBondContact O-N 2.87Å; Q327-V336 HydrophobicContact CB-CG2 3.86Å; S334-V336 PolarHBondContact O-N 3.04Å; V336-L348 HydrophobicContact CG1-CD2 3.88Å; V336-F359 HydrophobicContact CG2-CD1 4.05Å; V336-F359 HydrophobicContact CG2-CE1 3.88Å
337	M	85.5	Confident	81.6	Confident	71 Å²	71	87 Å²	87	35%	0.35	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	149.6	177	55.2	172.4	60.2	0	0	112.6	V324 L325 L339 V346	V324-M337 WeakPolarHBondContact CA-O 3.41Å; V324-M337 WeakPolarHBondContact CG1-O 3.44Å; L325-M337 HydrophobicContact CB-CG 4.09Å; L325-M337 HydrophobicContact CD2-CG 4.38Å; L325-M337 PolarHBondContact N-O 3.2Å; L325-M337 PolarHBondContact O-N 3.42Å; M337-L339 HydrophobicContact CG-CD2 4.46Å; M337-L339 HydrophobicContact SD-CD2 4.41Å; M337-V346 HydrophobicContact CE-CB 4.45Å; M337-V346 HydrophobicContact CE-CG1 3.6Å; M337-V346 HydrophobicContact CE-CG2 4.25Å; M337-V346 HydrophobicContact SD-CB 4.25Å; M337-V346 HydrophobicContact SD-CG1 3.8Å; M337-V346 HydrophobicContact SD-CG2 3.47Å; M337-V346 WeakPolarHBondContact SD-CG2 3.09Å
338	T	85.4	Confident	81.5	Confident	62 Å²	62	85.5 Å²	85.5	38%	0.38	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.2	168.5	62.9	0	0	0	0	109.5	M322 V324 K340	M322-T338 HydrophobicContact CE-CG2 3.52Å; V324-T338 HydrophobicContact CG2-CG2 4.31Å; T338-K340 WeakPolarHBondContact OG1-CE 3.4Å
339	L	84.9	Confident	81.2	Confident	10 Å²	10	87.2 Å²	87.2	5%	0.052	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.7	-178.6	-60.3	156.9	0	0	0	109.4	V313 I315 Y323 L325 M337 E344 V361	V313-L339 HydrophobicContact CB-CD2 4.06Å; V313-L339 HydrophobicContact CG1-CD1 3.81Å; V313-L339 HydrophobicContact CG1-CD2 4.03Å; V313-L339 HydrophobicContact CG2-CD2 4.12Å; I315-L339 HydrophobicContact CD1-CB 3.46Å; I315-L339 VanDerWaalsContact CD1-CB 3.46Å; I315-L339 HydrophobicContact CD1-CD1 4.26Å; I315-L339 HydrophobicContact CD1-CG 4.44Å; Y323-L339 PolarHBondContact O-N 3.42Å; L325-L339 HydrophobicContact CB-CD1 4.07Å; L325-L339 HydrophobicContact CB-CD2 4.28Å; L325-L339 HydrophobicContact CB-CG 4.23Å; M337-L339 HydrophobicContact CG-CD2 4.46Å; M337-L339 HydrophobicContact SD-CD2 4.41Å; L339-E344 VanDerWaalsContact CA-OE2 3.3Å; L339-E344 WeakPolarHBondContact CA-OE2 3.31Å; L339-E344 HydrophobicContact CD2-CB 4.27Å; L339-E344 HydrophobicContact CD2-CG 4.13Å; L339-V361 HydrophobicContact CD1-CG1 3.92Å; L339-V361 HydrophobicContact CD1-CG2 4.39Å
340	K	77.6	Confident	81	Confident	144 Å²	144	91.9 Å²	91.9	63%	0.626	46%	0.464	S	S	*	.			trans	-127.4	-14.8	-171.5	-66.4	178	-178.5	172.6	0	113.5	Y319 T338 E344	Y319-K340 PolarHBondContact OH-O 3.14Å; T338-K340 WeakPolarHBondContact OG1-CE 3.4Å; K340-E344 PolarHBondContact N-OE2 3.3Å
341	N	79.4	Confident	81.9	Confident	85 Å²	85	85.4 Å²	85.4	46%	0.455	43%	0.429	S	S	.	.	S	Bend	trans	-109.6	152.8	-170.9	-68.7	-63.4	0	0	0	112.7	Y319 K343 E344	Y319-N341 WeakPolarHBondContact OH-CA 3.49Å; N341-K343 PolarHBondContact O-N 2.9Å; N341-E344 HydrophobicContact CB-CB 4.31Å; N341-E344 PolarHBondContact N-OE2 3.15Å; N341-E344 VanDerWaalsContact N-OE2 3.11Å; N341-E344 PolarHBondContact ND2-OE1 3.36Å
342	K	78.8	Confident	82.6	Confident	130 Å²	130	88.4 Å²	88.4	57%	0.565	42%	0.421	S	S	*	.	S	Bend	trans	-61.2	-34.5	179.5	-172.2	178.3	176.8	179.8	0	111.2	I314 I315 Y319	I314-K342 CarbonylContact C-O 3.54Å; I314-K342 VanDerWaalsContact CA-O 3.29Å; I314-K342 WeakPolarHBondContact CA-O 3.48Å; I314-K342 WeakPolarHBondContact CG2-O 3.43Å; I315-K342 PolarHBondContact N-O 2.9Å; Y319-K342 PolarHBondContact OH-N 3.39Å
343	K	83.3	Confident	82.7	Confident	129 Å²	129	81.2 Å²	81.2	56%	0.561	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.6	170.1	-179	-177	178	-172.7	0	106.9	V312 V313 I314 N341	V312-K343 HydrophobicContact CG1-CD 4.37Å; V312-K343 HydrophobicContact CG1-CG 3.98Å; V313-K343 CarbonylContact O-C 3.56Å; V313-K343 VanDerWaalsContact O-CA 3.31Å; V313-K343 WeakPolarHBondContact O-CA 3.39Å; I314-K343 HydrophobicContact CG1-CG 4.3Å; N341-K343 PolarHBondContact O-N 2.9Å
344	E	85.1	Confident	82.3	Confident	34 Å²	34	82.7 Å²	82.7	16%	0.159	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.4	-175.2	-162.7	127.5	-133.3	0	0	107.6	V313 L339 K340 N341 V346	V313-E344 PolarHBondContact N-O 2.8Å; V313-E344 PolarHBondContact O-N 3.23Å; L339-E344 VanDerWaalsContact CA-OE2 3.3Å; L339-E344 WeakPolarHBondContact CA-OE2 3.31Å; L339-E344 HydrophobicContact CD2-CB 4.27Å; L339-E344 HydrophobicContact CD2-CG 4.13Å; K340-E344 PolarHBondContact N-OE2 3.3Å; N341-E344 HydrophobicContact CB-CB 4.31Å; N341-E344 PolarHBondContact N-OE2 3.15Å; N341-E344 VanDerWaalsContact N-OE2 3.11Å; N341-E344 PolarHBondContact ND2-OE1 3.36Å; E344-V346 HydrophobicContact CG-CG2 4.34Å
345	I	85.8	Confident	82.1	Confident	104 Å²	104	82 Å²	82	53%	0.533	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.4	-178.8	-52	-174.6	0	0	0	107.3	T310 L311 V312	T310-I345 HydrophobicContact CG2-CG2 3.59Å; L311-I345 WeakPolarHBondContact O-CA 3.13Å; V312-I345 HydrophobicContact CG2-CG1 4.32Å; V312-I345 HydrophobicContact CG2-CG2 4.48Å
346	V	85.8	Confident	82.1	Confident	2 Å²	2	84.8 Å²	84.8	1%	0.012	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.2	-168.3	-178.2	0	0	0	0	109.3	T310 L311 V313 L325 M337 E344 L348	T310-V346 WeakPolarHBondContact CA-O 3.35Å; L311-V346 HydrophobicContact CB-CB 4.44Å; L311-V346 PolarHBondContact N-O 3.1Å; L311-V346 PolarHBondContact O-N 3.48Å; V313-V346 HydrophobicContact CG2-CG2 4.39Å; L325-V346 HydrophobicContact CD2-CB 4.37Å; L325-V346 HydrophobicContact CD2-CG1 3.82Å; L325-V346 HydrophobicContact CD2-CG2 4.31Å; M337-V346 HydrophobicContact CE-CB 4.45Å; M337-V346 HydrophobicContact CE-CG1 3.6Å; M337-V346 HydrophobicContact CE-CG2 4.25Å; M337-V346 HydrophobicContact SD-CB 4.25Å; M337-V346 HydrophobicContact SD-CG1 3.8Å; M337-V346 HydrophobicContact SD-CG2 3.47Å; M337-V346 WeakPolarHBondContact SD-CG2 3.09Å; E344-V346 HydrophobicContact CG-CG2 4.34Å; V346-L348 HydrophobicContact CG1-CD2 3.99Å; V346-L348 HydrophobicContact CG1-CG 4.28Å
347	T	86.1	Confident	82.1	Confident	87 Å²	87	83.7 Å²	83.7	53%	0.534	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.6	168.9	49.8	0	0	0	0	109.7	T310	T310-T347 HydrophobicContact CG2-CG2 4.32Å
348	L	86.4	Confident	82.3	Confident	13 Å²	13	82.1 Å²	82.1	7%	0.068	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	101.3	178.4	-62.7	170.3	0	0	0	107.9	S308 A309 L311 V336 V346 L351 F359 F377	S308-L348 CarbonylContact C-O 3.58Å; S308-L348 WeakPolarHBondContact CA-O 3.22Å; S308-L348 WeakPolarHBondContact CB-O 3.25Å; A309-L348 PolarHBondContact N-O 3.26Å; A309-L348 WeakPolarHBondContact O-CB 3.35Å; A309-L348 PolarHBondContact O-N 2.88Å; L311-L348 HydrophobicContact CD1-CD1 3.55Å; L311-L348 HydrophobicContact CG-CD1 3.79Å; V336-L348 HydrophobicContact CG1-CD2 3.88Å; V346-L348 HydrophobicContact CG1-CD2 3.99Å; V346-L348 HydrophobicContact CG1-CG 4.28Å; L348-L351 HydrophobicContact CB-CD1 4.24Å; L348-L351 HydrophobicContact CB-CD2 4.39Å; L348-L351 HydrophobicContact CB-CG 4.43Å; L348-F359 HydrophobicContact CD1-CD1 4.1Å; L348-F359 HydrophobicContact CD1-CD2 3.98Å; L348-F359 HydrophobicContact CD1-CE1 3.72Å; L348-F359 HydrophobicContact CD1-CE2 3.56Å; L348-F359 HydrophobicContact CD1-CG 4.23Å; L348-F359 HydrophobicContact CD1-CZ 3.45Å; L348-F359 VanDerWaalsContact CD1-CZ 3.45Å; L348-F359 HydrophobicContact CD2-CD1 4.48Å; L348-F359 HydrophobicContact CD2-CE1 3.81Å; L348-F359 HydrophobicContact CD2-CZ 4.11Å; L348-F359 HydrophobicContact CG-CE1 4.41Å; L348-F359 HydrophobicContact CG-CZ 4.31Å; L348-F377 HydrophobicContact CD1-CE1 4.41Å; L348-F377 HydrophobicContact CD1-CZ 4.13Å
349	D	78.9	Confident	82.6	Confident	106 Å²	106	79.1 Å²	79.1	57%	0.567	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	162.9	-179	-59.5	-57.4	0	0	0	111.9	S308 L351	S308-D349 WeakPolarHBondContact CB-OD1 3.46Å; D349-L351 VanDerWaalsContact C-N 3.27Å; D349-L351 PolarHBondContact O-N 2.95Å
350	K	77.7	Confident	82.8	Confident	201 Å²	201	78.8 Å²	78.8	87%	0.874	38%	0.376	S	S	*	.	S	Bend	trans	65.4	25.9	-179.2	-46.6	172.2	-176.5	172.8	0	113.9	T307	T307-K350 PolarHBondContact O-N 2.89Å
351	L	82.4	Confident	83.4	Confident	13 Å²	13	72 Å²	72	7%	0.068	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-64.9	145.1	167	-57.8	-177.5	0	0	0	109.4	T307 A309 L348 D349 Y357 F359 F377 T379	T307-L351 WeakPolarHBondContact CA-O 3.44Å; T307-L351 WeakPolarHBondContact O-CB 3.44Å; T307-L351 PolarHBondContact O-N 3.45Å; A309-L351 HydrophobicContact CB-CD1 3.8Å; L348-L351 HydrophobicContact CB-CD1 4.24Å; L348-L351 HydrophobicContact CB-CD2 4.39Å; L348-L351 HydrophobicContact CB-CG 4.43Å; D349-L351 VanDerWaalsContact C-N 3.27Å; D349-L351 PolarHBondContact O-N 2.95Å; L351-Y357 HydrophobicContact CB-CD2 4.41Å; L351-Y357 HydrophobicContact CB-CE2 3.72Å; L351-Y357 HydrophobicContact CD1-CD2 4.38Å; L351-Y357 HydrophobicContact CD1-CE2 4.48Å; L351-Y357 HydrophobicContact CD2-CD1 4.48Å; L351-Y357 HydrophobicContact CD2-CD2 4.1Å; L351-Y357 HydrophobicContact CD2-CE1 4.27Å; L351-Y357 HydrophobicContact CD2-CE2 3.85Å; L351-Y357 HydrophobicContact CD2-CG 4.4Å; L351-Y357 HydrophobicContact CG-CE2 4.22Å; L351-F359 HydrophobicContact CD2-CZ 4.4Å; L351-F377 HydrophobicContact CD1-CE2 3.82Å; L351-F377 HydrophobicContact CD1-CZ 3.97Å; L351-T379 HydrophobicContact CB-CG2 3.91Å; L351-T379 HydrophobicContact CD1-CG2 4.05Å
352	R	77.1	Confident	83.7	Confident	189 Å²	189	67.9 Å²	67.9	71%	0.713	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-75.9	153.7	171.8	-65.8	-178	179.8	-169.5	-0.7	109.5	T355 Y357 T379	R352-T355 HydrophobicContact CB-CG2 3.9Å; R352-T355 WeakPolarHBondContact CB-OG1 3.4Å; R352-T355 PolarHBondContact O-OG1 3.33Å; R352-Y357 PolarHBondContact N-OH 2.94Å; R352-T379 WeakPolarHBondContact O-CB 3.44Å; R352-T379 WeakPolarHBondContact O-CG2 3.04Å; R352-T379 PolarHBondContact O-OG1 2.9Å
353	A	76.4	Confident	84.1	Confident	33 Å²	33	61.9 Å²	61.9	27%	0.273	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	146.9	176.2	0	0	0	0	0	111.6	F306 T355 T379	F306-A353 HydrophobicContact CD1-CB 3.85Å; F306-A353 HydrophobicContact CD2-CB 3.85Å; F306-A353 HydrophobicContact CE1-CB 3.52Å; F306-A353 HydrophobicContact CE2-CB 3.54Å; F306-A353 HydrophobicContact CG-CB 4Å; F306-A353 HydrophobicContact CZ-CB 3.35Å; F306-A353 WeakPolarHBondContact O-CA 3.46Å; A353-T355 PolarHBondContact O-N 2.94Å; A353-T355 VanDerWaalsContact O-N 3.16Å; A353-T379 WeakPolarHBondContact CA-OG1 3.36Å
354	H	74.1	Confident	83.9	Confident	132 Å²	132	58 Å²	58	61%	0.611	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	21.1	179.4	-63.5	90.7	0	0	0	115	F306 T379	F306-H354 AromaticContact CE2-CE1 3.82Å; F306-H354 AromaticContact CE2-ND1 3.96Å; H354-T379 WeakPolarHBondContact CA-O 3.35Å; H354-T379 PolarHBondContact N-O 3.3Å; H354-T379 PolarHBondContact N-OG1 3.31Å
355	T	80.4	Confident	83.7	Confident	45 Å²	45	64.7 Å²	64.7	28%	0.276	31%	0.308	S	S	.	.			trans	-107.3	140.9	176.6	52	0	0	0	0	111.2	R352 A353 Y357 T379	R352-T355 HydrophobicContact CB-CG2 3.9Å; R352-T355 WeakPolarHBondContact CB-OG1 3.4Å; R352-T355 PolarHBondContact O-OG1 3.33Å; A353-T355 PolarHBondContact O-N 2.94Å; A353-T355 VanDerWaalsContact O-N 3.16Å; T355-Y357 WeakPolarHBondContact OG1-CE2 3.47Å; T355-T379 PolarHBondContact N-OG1 2.92Å; T355-T379 PolarHBondContact O-N 3.02Å; T355-T379 PolarHBondContact O-OG1 3.33Å
356	E	86.6	Confident	83.1	Confident	137 Å²	137	66.3 Å²	66.3	64%	0.64	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.4	172.6	-170.4	158	-129.3	0	0	110.8	T376 T378	E356-T376 HydrophobicContact CG-CG2 3.43Å; E356-T376 VanDerWaalsContact CG-CG2 3.43Å; E356-T376 WeakPolarHBondContact OE1-CG2 3.3Å; E356-T378 HydrophobicContact CB-CG2 3.66Å; E356-T378 HydrophobicContact CG-CG2 3.91Å
357	Y	86.9	Confident	82.3	Confident	31 Å²	31	72.1 Å²	72.1	12%	0.122	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.9	178.2	-72	-74.9	0	0	0	110.3	L351 R352 T355 F359 T376 F377 T379	L351-Y357 HydrophobicContact CB-CD2 4.41Å; L351-Y357 HydrophobicContact CB-CE2 3.72Å; L351-Y357 HydrophobicContact CD1-CD2 4.38Å; L351-Y357 HydrophobicContact CD1-CE2 4.48Å; L351-Y357 HydrophobicContact CD2-CD1 4.48Å; L351-Y357 HydrophobicContact CD2-CD2 4.1Å; L351-Y357 HydrophobicContact CD2-CE1 4.27Å; L351-Y357 HydrophobicContact CD2-CE2 3.85Å; L351-Y357 HydrophobicContact CD2-CG 4.4Å; L351-Y357 HydrophobicContact CG-CE2 4.22Å; R352-Y357 PolarHBondContact N-OH 2.94Å; T355-Y357 WeakPolarHBondContact OG1-CE2 3.47Å; Y357-F359 HydrophobicContact CG-CE2 4.25Å; Y357-T376 WeakPolarHBondContact O-CA 3.29Å; Y357-F377 PolarHBondContact N-O 3.05Å; Y357-F377 PolarHBondContact O-N 3.02Å; Y357-T379 HydrophobicContact CE2-CG2 4.46Å
358	T	89.5	Confident	81.6	Confident	37 Å²	37	76.8 Å²	76.8	23%	0.227	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.8	173.9	-62.6	0	0	0	0	109.8	Y328 C374 T376	Y328-T358 PolarHBondContact N-O 3.33Å; T358-C374 HydrophobicContact CG2-CB 4.49Å; T358-T376 WeakPolarHBondContact OG1-CG2 3.34Å; T358-T376 PolarHBondContact OG1-OG1 3.43Å
359	F	90.4	Very high	81.3	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.4	175.2	-68.2	-93.1	0	0	0	110	I299 L311 L325 V326 Q327 V336 L348 L351 Y357 C374 L375 F377	I299-F359 HydrophobicContact CD1-CB 4.49Å; L311-F359 HydrophobicContact CD1-CB 4.09Å; L311-F359 HydrophobicContact CD1-CD2 4.38Å; L311-F359 HydrophobicContact CD1-CG 4.19Å; L325-F359 HydrophobicContact CD1-CB 4.17Å; V326-F359 CarbonylContact O-C 3.52Å; V326-F359 WeakPolarHBondContact O-CA 3.45Å; Q327-F359 HydrophobicContact CB-CD1 3.78Å; Q327-F359 HydrophobicContact CB-CE1 3.51Å; Q327-F359 HydrophobicContact CB-CZ 4.21Å; Q327-F359 HydrophobicContact CG-CD1 4.11Å; Q327-F359 HydrophobicContact CG-CE1 3.6Å; Q327-F359 HydrophobicContact CG-CE2 4.4Å; Q327-F359 HydrophobicContact CG-CZ 3.75Å; V336-F359 HydrophobicContact CG2-CD1 4.05Å; V336-F359 HydrophobicContact CG2-CE1 3.88Å; L348-F359 HydrophobicContact CD1-CD1 4.1Å; L348-F359 HydrophobicContact CD1-CD2 3.98Å; L348-F359 HydrophobicContact CD1-CE1 3.72Å; L348-F359 HydrophobicContact CD1-CE2 3.56Å; L348-F359 HydrophobicContact CD1-CG 4.23Å; L348-F359 HydrophobicContact CD1-CZ 3.45Å; L348-F359 VanDerWaalsContact CD1-CZ 3.45Å; L348-F359 HydrophobicContact CD2-CD1 4.48Å; L348-F359 HydrophobicContact CD2-CE1 3.81Å; L348-F359 HydrophobicContact CD2-CZ 4.11Å; L348-F359 HydrophobicContact CG-CE1 4.41Å; L348-F359 HydrophobicContact CG-CZ 4.31Å; L351-F359 HydrophobicContact CD2-CZ 4.4Å; Y357-F359 HydrophobicContact CG-CE2 4.25Å; F359-C374 CarbonylContact O-C 3.46Å; F359-C374 WeakPolarHBondContact O-CA 3.06Å; F359-L375 PolarHBondContact N-O 2.92Å; F359-L375 PolarHBondContact O-N 3.1Å; F359-F377 HydrophobicContact CD2-CD1 4.45Å; F359-F377 AromaticContact CD2-CE1 3.51Å; F359-F377 HydrophobicContact CD2-CE1 3.51Å; F359-F377 HydrophobicContact CD2-CZ 4.01Å; F359-F377 AromaticContact CE2-CE1 3.71Å; F359-F377 HydrophobicContact CE2-CE1 3.71Å; F359-F377 AromaticContact CE2-CZ 3.69Å; F359-F377 HydrophobicContact CE2-CZ 3.69Å
360	C	89.4	Confident	81.3	Confident	3 Å²	3	80.6 Å²	80.6	2%	0.02	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.2	-178.5	-60.1	0	0	0	0	111.8	V326 Y328 T362 T373 C374	V326-C360 PolarHBondContact N-O 3.12Å; V326-C360 PolarHBondContact O-N 3.23Å; Y328-C360 HydrophobicContact CD2-CB 4.24Å; Y328-C360 HydrophobicContact CE2-CB 3.94Å; C360-T362 HydrophobicContact CB-CG2 4.2Å; C360-T373 CarbonylContact C-O 3.4Å; C360-T373 WeakPolarHBondContact CA-O 3.04Å; C360-C374 HydrophobicContact CB-CB 4.1Å; C360-C374 WeakPolarHBondContact CB-SG 3.34Å; C360-C374 WeakPolarHBondContact SG-CB 3.41Å; C360-C374 CovalentContact SG-SG 2.04Å; C360-C374 PolarHBondContact SG-SG 3.46Å
361	V	90	Very high	81.4	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.4	164.1	-176.1	0	0	0	0	107.8	P297 I299 V313 Y323 L339 H372 T373	P297-V361 HydrophobicContact CB-CG1 4.1Å; P297-V361 HydrophobicContact CG-CG1 4.48Å; I299-V361 HydrophobicContact CB-CG2 3.87Å; I299-V361 HydrophobicContact CD1-CG2 4.15Å; I299-V361 HydrophobicContact CG2-CG2 4.25Å; V313-V361 HydrophobicContact CG1-CG2 3.67Å; V313-V361 HydrophobicContact CG2-CG2 4.48Å; Y323-V361 HydrophobicContact CD1-CG1 4.01Å; L339-V361 HydrophobicContact CD1-CG1 3.92Å; L339-V361 HydrophobicContact CD1-CG2 4.39Å; V361-H372 PolarHBondContact O-N 2.85Å; V361-T373 PolarHBondContact N-O 3.3Å
362	T	87.3	Confident	81.3	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	150	-179.5	74.6	0	0	0	0	110.1	Y323 V324 V326 C360 F370 N371	Y323-T362 CarbonylContact C-O 3.45Å; Y323-T362 VanDerWaalsContact CA-O 3.22Å; Y323-T362 WeakPolarHBondContact CA-O 3.28Å; V324-T362 PolarHBondContact N-O 3.42Å; V324-T362 PolarHBondContact O-N 3.44Å; V324-T362 PolarHBondContact O-OG1 3.47Å; V324-T362 VanDerWaalsContact O-OG1 3.05Å; V326-T362 HydrophobicContact CB-CG2 3.93Å; V326-T362 HydrophobicContact CG2-CG2 3.6Å; V326-T362 WeakPolarHBondContact CG2-OG1 3.44Å; C360-T362 HydrophobicContact CB-CG2 4.2Å; T362-F370 CarbonylContact C-O 3.48Å; T362-F370 WeakPolarHBondContact CA-O 3.49Å; T362-N371 VanDerWaalsContact CG2-OD1 3.23Å; T362-N371 WeakPolarHBondContact CG2-OD1 3.37Å
363	S	85.9	Confident	81.7	Confident	4 Å²	4	71 Å²	71	3%	0.028	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.5	167.3	73.7	0	0	0	0	111.4	M322 F370 H372	M322-S363 VanDerWaalsContact O-CA 3.28Å; M322-S363 WeakPolarHBondContact O-CA 3.33Å; S363-F370 PolarHBondContact N-O 3.01Å; S363-F370 PolarHBondContact O-N 3.36Å; S363-H372 VanDerWaalsContact CB-NE2 3.27Å; S363-H372 WeakPolarHBondContact CB-NE2 3.07Å; S363-H372 PolarHBondContact OG-NE2 2.86Å
364	L	80.4	Confident	82.2	Confident	48 Å²	48	72.9 Å²	72.9	25%	0.251	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.4	174.4	-71.7	150.4	0	0	0	110.6	M322 V324 R369	M322-L364 HydrophobicContact CE-CD1 4.2Å; M322-L364 HydrophobicContact CG-CD1 4.32Å; M322-L364 PolarHBondContact O-N 3.15Å; M322-L364 HydrophobicContact SD-CD1 3.92Å; V324-L364 HydrophobicContact CG2-CD1 3.61Å; L364-R369 HydrophobicContact CD2-CG 3.64Å; L364-R369 HydrophobicContact CG-CG 4.39Å
365	R	79.3	Confident	82.9	Confident	173 Å²	173	68.1 Å²	68.1	65%	0.653	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	128.4	168.7	-170.5	-178.5	-173.3	-151.7	3.3	109.7	S367 R368 F370	R365-S367 VanDerWaalsContact C-N 3.29Å; R365-S367 PolarHBondContact O-N 3.31Å; R365-R368 PolarHBondContact N-O 2.82Å; R365-R368 PolarHBondContact O-N 3.24Å; R365-F370 HydrophobicContact CB-CD2 4.45Å; R365-F370 HydrophobicContact CB-CE2 4.06Å
366	N	74.2	Confident	83.2	Confident	139 Å²	139	69.2 Å²	69.2	74%	0.743	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	48.8	-179.7	-58.4	20.1	0	0	0	112.5	R368	N366-R368 PolarHBondContact O-N 2.88Å
367	S	69.1	Low	83.2	Confident	123 Å²	123	63.1 Å²	63.1	86%	0.86	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	9.3	-176.1	-53.2	0	0	0	0	116.5	R365	R365-S367 VanDerWaalsContact C-N 3.29Å; R365-S367 PolarHBondContact O-N 3.31Å
368	R	71.4	Confident	83.1	Confident	186 Å²	186	63.5 Å²	63.5	70%	0.702	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.6	171	-61.8	-176	-178.8	-163.7	-0.9	109.9	R365 N366 F370	R365-R368 PolarHBondContact N-O 2.82Å; R365-R368 PolarHBondContact O-N 3.24Å; N366-R368 PolarHBondContact O-N 2.88Å; R368-F370 HydrophobicContact CB-CD2 4.48Å; R368-F370 HydrophobicContact CB-CE2 3.73Å; R368-F370 HydrophobicContact CB-CZ 4.09Å
369	R	79.6	Confident	82.7	Confident	95 Å²	95	61.7 Å²	61.7	36%	0.358	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	136.3	169	-70	-178.1	-179	76.5	0.7	108.7	F333 D335 L364	F333-R369 VanDerWaalsContact CE2-CZ 3.49Å; D335-R369 VanDerWaalsContact CG-NH2 3.31Å; D335-R369 IonicContact OD1-CZ 2.67Å; D335-R369 IonicContact OD1-NE 3.74Å; D335-R369 PolarHBondContact OD1-NE 3.07Å; D335-R369 VanDerWaalsContact OD1-NE 3.07Å; D335-R369 IonicContact OD1-NH2 3.87Å; D335-R369 PolarHBondContact OD1-NH2 2.96Å; D335-R369 IonicContact OD2-CZ 2.61Å; D335-R369 IonicContact OD2-NE 2.75Å; D335-R369 IonicContact OD2-NH2 2.81Å; D335-R369 PolarHBondContact OD2-NH2 2.61Å; L364-R369 HydrophobicContact CD2-CG 3.64Å; L364-R369 HydrophobicContact CG-CG 4.39Å
370	F	79.2	Confident	81.5	Confident	104 Å²	104	69.6 Å²	69.6	46%	0.456	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.7	174.1	-63.9	-96.3	0	0	0	108.8	T362 S363 R365 R368 H372	T362-F370 CarbonylContact C-O 3.48Å; T362-F370 WeakPolarHBondContact CA-O 3.49Å; S363-F370 PolarHBondContact N-O 3.01Å; S363-F370 PolarHBondContact O-N 3.36Å; R365-F370 HydrophobicContact CB-CD2 4.45Å; R365-F370 HydrophobicContact CB-CE2 4.06Å; R368-F370 HydrophobicContact CB-CD2 4.48Å; R368-F370 HydrophobicContact CB-CE2 3.73Å; R368-F370 HydrophobicContact CB-CZ 4.09Å; F370-H372 PolarHBondContact O-CD2 2.7Å; F370-H372 PolarHBondContact O-NE2 3.1Å
371	N	79.7	Confident	79.9	Confident	78 Å²	78	74.4 Å²	74.4	42%	0.417	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.5	-179.5	-62.1	4.9	0	0	0	109.3	Y328 T362	Y328-N371 PolarHBondContact OH-ND2 2.82Å; Y328-N371 PolarHBondContact OH-OD1 2.81Å; T362-N371 VanDerWaalsContact CG2-OD1 3.23Å; T362-N371 WeakPolarHBondContact CG2-OD1 3.37Å
372	H	81.2	Confident	78	Confident	74 Å²	74	79.2 Å²	79.2	34%	0.343	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-56.5	-179.5	-66.5	-95.1	0	0	0	111.9	P297 Y323 V361 S363 F370	P297-H372 HydrophobicContact CG-CB 3.52Å; Y323-H372 AromaticContact CE1-CD2 3.99Å; Y323-H372 AromaticContact CE1-NE2 3.95Å; V361-H372 PolarHBondContact O-N 2.85Å; S363-H372 VanDerWaalsContact CB-NE2 3.27Å; S363-H372 WeakPolarHBondContact CB-NE2 3.07Å; S363-H372 PolarHBondContact OG-NE2 2.86Å; F370-H372 PolarHBondContact O-CD2 2.7Å; F370-H372 PolarHBondContact O-NE2 3.1Å
373	T	84.8	Confident	76.3	Confident	49 Å²	49	85.5 Å²	85.5	30%	0.301	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.1	178.5	45.1	0	0	0	0	109.4	P297 C360 V361	P297-T373 WeakPolarHBondContact O-CG2 3.37Å; P297-T373 PolarHBondContact O-OG1 3.08Å; C360-T373 CarbonylContact C-O 3.4Å; C360-T373 WeakPolarHBondContact CA-O 3.04Å; V361-T373 PolarHBondContact N-O 3.3Å
374	C	87.9	Confident	74.2	Confident	72 Å²	72	91.6 Å²	91.6	49%	0.486	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.4	178.4	-65.6	0	0	0	0	109.5	T358 F359 C360	T358-C374 HydrophobicContact CG2-CB 4.49Å; F359-C374 CarbonylContact O-C 3.46Å; F359-C374 WeakPolarHBondContact O-CA 3.06Å; C360-C374 HydrophobicContact CB-CB 4.1Å; C360-C374 WeakPolarHBondContact CB-SG 3.34Å; C360-C374 WeakPolarHBondContact SG-CB 3.41Å; C360-C374 CovalentContact SG-SG 2.04Å; C360-C374 PolarHBondContact SG-SG 3.46Å
375	L	88.5	Confident	72.8	Confident	33 Å²	33	92.2 Å²	92.2	17%	0.173	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.3	178.7	174.7	63.6	0	0	0	108.2	I299 L301 L311 F359 F377	I299-L375 HydrophobicContact CD1-CB 4.37Å; I299-L375 HydrophobicContact CG1-CB 4.27Å; I299-L375 HydrophobicContact CG1-CD2 3.97Å; I299-L375 HydrophobicContact CG2-CB 3.9Å; L301-L375 HydrophobicContact CB-CD1 4.48Å; L301-L375 HydrophobicContact CB-CD2 4.03Å; L301-L375 HydrophobicContact CD1-CD2 4.25Å; L311-L375 HydrophobicContact CD2-CD2 3.88Å; F359-L375 PolarHBondContact N-O 2.92Å; F359-L375 PolarHBondContact O-N 3.1Å; L375-F377 HydrophobicContact CG-CD1 4.47Å
376	T	86.9	Confident	70.6	Confident	67 Å²	67	91.6 Å²	91.6	41%	0.411	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.9	174.8	-54.9	0	0	0	0	108.9	E356 Y357 T358	E356-T376 HydrophobicContact CG-CG2 3.43Å; E356-T376 VanDerWaalsContact CG-CG2 3.43Å; E356-T376 WeakPolarHBondContact OE1-CG2 3.3Å; Y357-T376 WeakPolarHBondContact O-CA 3.29Å; T358-T376 WeakPolarHBondContact OG1-CG2 3.34Å; T358-T376 PolarHBondContact OG1-OG1 3.43Å
377	F	86.4	Confident	69.7	Low	10 Å²	10	93.7 Å²	93.7	4%	0.044	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157	176.6	66.8	-93	0	0	0	111.1	L301 V304 A309 L311 L348 L351 Y357 F359 L375	L301-F377 HydrophobicContact CD1-CB 4.21Å; L301-F377 HydrophobicContact CD1-CD1 3.84Å; L301-F377 HydrophobicContact CD1-CD2 4.46Å; L301-F377 HydrophobicContact CD1-CE1 4.31Å; L301-F377 HydrophobicContact CD1-CG 3.92Å; L301-F377 HydrophobicContact CD2-CB 3.95Å; V304-F377 HydrophobicContact CG1-CD2 4.2Å; V304-F377 HydrophobicContact CG1-CE2 4.49Å; V304-F377 HydrophobicContact CG2-CD2 3.88Å; V304-F377 HydrophobicContact CG2-CE2 4.34Å; V304-F377 HydrophobicContact CG2-CG 4.37Å; A309-F377 HydrophobicContact CB-CD2 4.33Å; A309-F377 HydrophobicContact CB-CE1 4.34Å; A309-F377 HydrophobicContact CB-CE2 3.4Å; A309-F377 HydrophobicContact CB-CZ 3.41Å; A309-F377 VanDerWaalsContact CB-CZ 3.41Å; L311-F377 HydrophobicContact CD1-CE1 4.33Å; L311-F377 HydrophobicContact CD2-CD1 4.37Å; L311-F377 HydrophobicContact CD2-CE1 3.88Å; L348-F377 HydrophobicContact CD1-CE1 4.41Å; L348-F377 HydrophobicContact CD1-CZ 4.13Å; L351-F377 HydrophobicContact CD1-CE2 3.82Å; L351-F377 HydrophobicContact CD1-CZ 3.97Å; Y357-F377 PolarHBondContact N-O 3.05Å; Y357-F377 PolarHBondContact O-N 3.02Å; F359-F377 HydrophobicContact CD2-CD1 4.45Å; F359-F377 AromaticContact CD2-CE1 3.51Å; F359-F377 HydrophobicContact CD2-CE1 3.51Å; F359-F377 HydrophobicContact CD2-CZ 4.01Å; F359-F377 AromaticContact CE2-CE1 3.71Å; F359-F377 HydrophobicContact CE2-CE1 3.71Å; F359-F377 AromaticContact CE2-CZ 3.69Å; F359-F377 HydrophobicContact CE2-CZ 3.69Å; L375-F377 HydrophobicContact CG-CD1 4.47Å
378	T	83.9	Confident	68.1	Low	38 Å²	38	91.9 Å²	91.9	23%	0.233	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136	175.8	41.2	0	0	0	0	109.8	E356 R380	E356-T378 HydrophobicContact CB-CG2 3.66Å; E356-T378 HydrophobicContact CG-CG2 3.91Å; T378-R380 PolarHBondContact O-N 3.37Å; T378-R380 PolarHBondContact OG1-NE 3.43Å; T378-R380 PolarHBondContact OG1-NH2 3.33Å
379	T	81.7	Confident	66.7	Low	0 Å²	0	89.6 Å²	89.6	0%	0	51%	0.512	C	S	.	.			trans	-68.9	123.1	168.9	45.3	0	0	0	0	109.3	V304 L351 R352 A353 H354 T355 Y357	V304-T379 HydrophobicContact CG1-CG2 4.44Å; L351-T379 HydrophobicContact CB-CG2 3.91Å; L351-T379 HydrophobicContact CD1-CG2 4.05Å; R352-T379 WeakPolarHBondContact O-CB 3.44Å; R352-T379 WeakPolarHBondContact O-CG2 3.04Å; R352-T379 PolarHBondContact O-OG1 2.9Å; A353-T379 WeakPolarHBondContact CA-OG1 3.36Å; H354-T379 WeakPolarHBondContact CA-O 3.35Å; H354-T379 PolarHBondContact N-O 3.3Å; H354-T379 PolarHBondContact N-OG1 3.31Å; T355-T379 PolarHBondContact N-OG1 2.92Å; T355-T379 PolarHBondContact O-N 3.02Å; T355-T379 PolarHBondContact O-OG1 3.33Å; Y357-T379 HydrophobicContact CE2-CG2 4.46Å
380	R	64.8	Low	65	Low	166 Å²	166	90 Å²	90	63%	0.626	53%	0.53	S	S	*	.			trans	-139.4	164.9	-173.8	-67.7	-173.4	-176.5	-163.2	-3.6	110.8	T378	T378-R380 PolarHBondContact O-N 3.37Å; T378-R380 PolarHBondContact OG1-NE 3.43Å; T378-R380 PolarHBondContact OG1-NH2 3.33Å
381	D	55.5	Low	63.5	Low	104 Å²	104	91.9 Å²	91.9	56%	0.556	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-60.7	141.3	173.7	-66.5	-28.2	0	0	0	111.5	V383	D381-V383 PolarHBondContact O-N 3.04Å
382	P	49.8	Very low	62.1	Low	101 Å²	101	91 Å²	91	66%	0.656	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-68.8	119.6	-179.7	27.5	-34	0	0	0	111.3
383	V	51.6	Low	60.9	Low	131 Å²	131	92 Å²	92	79%	0.794	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-78.8	128.7	174.1	-179.5	0	0	0	0	109.2	D381 G385	D381-V383 PolarHBondContact O-N 3.04Å; V383-G385 PolarHBondContact O-N 3.26Å
384	P	43.3	Very low	59.3	Low	132 Å²	132	93.7 Å²	93.7	86%	0.857	57%	0.572	S	S	*	*	S	Bend	trans	-70.4	115.3	176.3	-15.2	29.7	0	0	0	110.6
385	G	49.5	Very low	57.7	Low	61 Å²	61	94.6 Å²	94.6	63%	0.629	58%	0.575	S	S	*	*			trans	-166.3	-45.6	-179.5	0	0	0	0	0	115.4	V383	V383-G385 PolarHBondContact O-N 3.26Å
386	D	33.2	Very low	56.1	Low	161 Å²	161	99.2 Å²	99.2	86%	0.861	60%	0.596	S	S	*	*			trans	-80.9	125.5	-173.6	-68.9	-38.5	0	0	0	113.2
387	L	54.9	Low	54.9	Low	182 Å²	182	103.1 Å²	103.1	95%	0.953	60%	0.604	S	S	*	*			trans	-87.4	110	171.7	-83.1	100	0	0	0	111.6
388	A	36.3	Very low	54.2	Low	86 Å²	86	107 Å²	107	71%	0.711	62%	0.624	S	S	*	*			trans	-136.3	153.3	158	0	0	0	0	0	108.1
389	P	42.1	Very low	53.4	Low	137 Å²	137	111.7 Å²	111.7	89%	0.89	65%	0.645	S	S	*	*			trans	-67.7	141.4	-155.3	24.2	-34.3	0	0	0	114.7
390	S	44.7	Very low	53.1	Low	105 Å²	105	114.5 Å²	114.5	73%	0.734	66%	0.662	S	S	*	*			trans	-98.6	121.2	-167.7	58.1	0	0	0	0	114.3
391	T	47.2	Very low	53.9	Low	142 Å²	142	111.4 Å²	111.4	87%	0.871	66%	0.657	S	S	*	*			trans	-132	38.8	158.9	48.7	0	0	0	0	111.1	T393	T391-T393 PolarHBondContact O-N 3.42Å; T391-T393 VanDerWaalsContact O-N 3.16Å
392	S	50.2	Low	55.2	Low	59 Å²	59	111.1 Å²	111.1	41%	0.413	66%	0.655	S	S	.	*			trans	-71.5	109.5	-177.1	56.6	0	0	0	0	112.4	T394 T395	S392-T394 PolarHBondContact O-N 3.47Å; S392-T395 PolarHBondContact O-N 2.99Å; S392-T395 PolarHBondContact O-OG1 3.01Å
393	T	56.6	Low	56.9	Low	96 Å²	96	108.3 Å²	108.3	59%	0.589	64%	0.644	S	S	*	*	H	α-helix	trans	-51.2	-26.7	174.7	52.2	0	0	0	0	113.1	T391 T395 H396 Y397	T391-T393 PolarHBondContact O-N 3.42Å; T391-T393 VanDerWaalsContact O-N 3.16Å; T393-T395 PolarHBondContact O-N 3.34Å; T393-H396 WeakPolarHBondContact O-CA 3.32Å; T393-H396 WeakPolarHBondContact O-CB 3.3Å; T393-H396 PolarHBondContact O-N 2.8Å; T393-Y397 VanDerWaalsContact O-CD2 3.29Å; T393-Y397 WeakPolarHBondContact O-CD2 3.3Å; T393-Y397 PolarHBondContact O-N 2.93Å
394	T	50.1	Low	58.2	Low	85 Å²	85	106.2 Å²	106.2	52%	0.521	64%	0.635	S	S	.	*	H	α-helix	trans	-50.5	-37.4	174	-38.2	0	0	0	0	113.6	S392 Y397 I398	S392-T394 PolarHBondContact O-N 3.47Å; T394-Y397 PolarHBondContact O-N 2.85Å; T394-I398 HydrophobicContact CG2-CD1 4.16Å; T394-I398 VanDerWaalsContact O-CG1 3.3Å; T394-I398 WeakPolarHBondContact O-CG1 3.16Å; T394-I398 PolarHBondContact O-N 3.18Å
395	T	55.7	Low	60.1	Low	90 Å²	90	105 Å²	105	55%	0.552	62%	0.62	S	S	*	*	H	α-helix	trans	-70.5	-37.9	177.5	56.2	0	0	0	0	111.8	S392 T393 I398 M399	S392-T395 PolarHBondContact O-N 2.99Å; S392-T395 PolarHBondContact O-OG1 3.01Å; T393-T395 PolarHBondContact O-N 3.34Å; T395-I398 PolarHBondContact O-N 3.24Å; T395-M399 WeakPolarHBondContact O-CB 3.18Å; T395-M399 VanDerWaalsContact O-CG 3.29Å; T395-M399 WeakPolarHBondContact O-CG 3.49Å; T395-M399 PolarHBondContact O-N 3.45Å
396	H	54.9	Low	61.9	Low	131 Å²	131	108.9 Å²	108.9	61%	0.606	62%	0.62	S	S	*	*	H	α-helix	trans	-63.5	-45.1	173.2	-165.7	-93.1	0	0	0	111.2	T393 I398 M399 T400	T393-H396 WeakPolarHBondContact O-CA 3.32Å; T393-H396 WeakPolarHBondContact O-CB 3.3Å; T393-H396 PolarHBondContact O-N 2.8Å; H396-I398 PolarHBondContact O-N 2.89Å; H396-M399 PolarHBondContact O-N 2.97Å; H396-T400 WeakPolarHBondContact O-CG2 3.39Å; H396-T400 PolarHBondContact O-N 2.93Å; H396-T400 PolarHBondContact O-OG1 2.92Å
397	Y	60.3	Low	64.4	Low	149 Å²	149	102.6 Å²	102.6	58%	0.584	59%	0.593	S	S	*	*	H	α-helix	trans	-62.1	-40.6	175.2	-77	-68.3	0	0	0	113.4	T393 T394 T400 I401	T393-Y397 VanDerWaalsContact O-CD2 3.29Å; T393-Y397 WeakPolarHBondContact O-CD2 3.3Å; T393-Y397 PolarHBondContact O-N 2.93Å; T394-Y397 PolarHBondContact O-N 2.85Å; Y397-T400 WeakPolarHBondContact CA-OG1 3.46Å; Y397-T400 PolarHBondContact O-OG1 2.75Å; Y397-I401 WeakPolarHBondContact O-CB 3.36Å; Y397-I401 WeakPolarHBondContact O-CD1 3.46Å; Y397-I401 WeakPolarHBondContact O-CG1 3.48Å; Y397-I401 PolarHBondContact O-N 3.48Å
398	I	71.4	Confident	66.1	Low	92 Å²	92	99.6 Å²	99.6	47%	0.472	58%	0.576	S	S	.	*	H	α-helix	trans	-66.4	-41.5	176.2	-69.8	165.9	0	0	0	110.5	T394 T395 H396 L402	T394-I398 HydrophobicContact CG2-CD1 4.16Å; T394-I398 VanDerWaalsContact O-CG1 3.3Å; T394-I398 WeakPolarHBondContact O-CG1 3.16Å; T394-I398 PolarHBondContact O-N 3.18Å; T395-I398 PolarHBondContact O-N 3.24Å; H396-I398 PolarHBondContact O-N 2.89Å; I398-L402 HydrophobicContact CG2-CD1 3.92Å; I398-L402 HydrophobicContact CG2-CG 4.49Å; I398-L402 WeakPolarHBondContact O-CB 3.28Å; I398-L402 VanDerWaalsContact O-CG 3.26Å; I398-L402 WeakPolarHBondContact O-CG 3.39Å; I398-L402 PolarHBondContact O-N 3.5Å
399	M	66.9	Low	68.6	Low	136 Å²	136	100.2 Å²	100.2	67%	0.67	57%	0.57	S	S	*	*	H	α-helix	trans	-66.9	-39.6	177.1	-71.4	-63.9	-172.8	0	0	112.8	T395 H396 G403	T395-M399 WeakPolarHBondContact O-CB 3.18Å; T395-M399 VanDerWaalsContact O-CG 3.29Å; T395-M399 WeakPolarHBondContact O-CG 3.49Å; T395-M399 PolarHBondContact O-N 3.45Å; H396-M399 PolarHBondContact O-N 2.97Å; M399-G403 PolarHBondContact O-N 3.13Å
400	T	76.1	Confident	70.8	Confident	58 Å²	58	98.4 Å²	98.4	36%	0.356	55%	0.552	S	S	.	*	H	α-helix	trans	-69.8	-40.5	175.3	54.3	0	0	0	0	111.9	H396 Y397 L402 G403 C404	H396-T400 WeakPolarHBondContact O-CG2 3.39Å; H396-T400 PolarHBondContact O-N 2.93Å; H396-T400 PolarHBondContact O-OG1 2.92Å; Y397-T400 WeakPolarHBondContact CA-OG1 3.46Å; Y397-T400 PolarHBondContact O-OG1 2.75Å; T400-L402 PolarHBondContact O-N 3.49Å; T400-G403 PolarHBondContact O-N 3.14Å; T400-C404 WeakPolarHBondContact O-CB 3.26Å; T400-C404 PolarHBondContact O-N 3.48Å; T400-C404 PolarHBondContact O-SG 3.3Å
401	I	82.3	Confident	72.8	Confident	101 Å²	101	97.5 Å²	97.5	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-60.3	-45.5	174.1	-70.8	165.9	0	0	0	110.8	Y397 C404 L405	Y397-I401 WeakPolarHBondContact O-CB 3.36Å; Y397-I401 WeakPolarHBondContact O-CD1 3.46Å; Y397-I401 WeakPolarHBondContact O-CG1 3.48Å; Y397-I401 PolarHBondContact O-N 3.48Å; I401-C404 PolarHBondContact O-N 3.38Å; I401-L405 HydrophobicContact CG2-CD1 4.01Å; I401-L405 WeakPolarHBondContact O-CB 3.23Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.23Å; I401-L405 PolarHBondContact O-N 2.87Å
402	L	81.9	Confident	74.7	Confident	98 Å²	98	96.1 Å²	96.1	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-39.6	175.4	-71.5	171.4	0	0	0	112	I398 T400 L405 F406	I398-L402 HydrophobicContact CG2-CD1 3.92Å; I398-L402 HydrophobicContact CG2-CG 4.49Å; I398-L402 WeakPolarHBondContact O-CB 3.28Å; I398-L402 VanDerWaalsContact O-CG 3.26Å; I398-L402 WeakPolarHBondContact O-CG 3.39Å; I398-L402 PolarHBondContact O-N 3.5Å; T400-L402 PolarHBondContact O-N 3.49Å; L402-L405 PolarHBondContact O-N 2.77Å; L402-F406 WeakPolarHBondContact O-CB 3.42Å; L402-F406 PolarHBondContact O-N 2.89Å
403	G	84.9	Confident	76.6	Confident	42 Å²	42	95.1 Å²	95.1	43%	0.433	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-46	174.4	0	0	0	0	0	112.9	M399 T400 F406 G407	M399-G403 PolarHBondContact O-N 3.13Å; T400-G403 PolarHBondContact O-N 3.14Å; G403-F406 PolarHBondContact O-N 2.04Å; G403-G407 PolarHBondContact O-N 3.08Å
404	C	79.1	Confident	78.1	Confident	88 Å²	88	92.9 Å²	92.9	60%	0.595	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-43.5	175.4	-69.4	0	0	0	0	111.8	T400 I401 G407 M408	T400-C404 WeakPolarHBondContact O-CB 3.26Å; T400-C404 PolarHBondContact O-N 3.48Å; T400-C404 PolarHBondContact O-SG 3.3Å; I401-C404 PolarHBondContact O-N 3.38Å; C404-G407 PolarHBondContact O-N 2.93Å; C404-M408 WeakPolarHBondContact O-CB 3.32Å; C404-M408 VanDerWaalsContact O-CG 3.27Å; C404-M408 WeakPolarHBondContact O-CG 3.45Å; C404-M408 PolarHBondContact O-N 2.78Å
405	L	83.5	Confident	80	Confident	106 Å²	106	92.5 Å²	92.5	56%	0.555	52%	0.517	S	S	*	.	H	α-helix	trans	-62.5	-42.1	175.5	-72.8	169.7	0	0	0	111.9	I401 L402 M408 V409	I401-L405 HydrophobicContact CG2-CD1 4.01Å; I401-L405 WeakPolarHBondContact O-CB 3.23Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.23Å; I401-L405 PolarHBondContact O-N 2.87Å; L402-L405 PolarHBondContact O-N 2.77Å; L405-M408 PolarHBondContact O-N 3.27Å; L405-V409 WeakPolarHBondContact O-CG2 3.49Å; L405-V409 PolarHBondContact O-N 2.79Å; L405-V409 VanDerWaalsContact O-N 3.08Å
406	F	87.2	Confident	81.8	Confident	143 Å²	143	94.9 Å²	94.9	63%	0.627	52%	0.517	S	S	*	.	H	α-helix	trans	-66.9	-41.7	176.8	-163.8	-108.1	0	0	0	111.8	L402 G403 V409 I410	L402-F406 WeakPolarHBondContact O-CB 3.42Å; L402-F406 PolarHBondContact O-N 2.89Å; G403-F406 PolarHBondContact O-N 2.04Å; F406-V409 PolarHBondContact O-N 3.39Å; F406-I410 HydrophobicContact CD1-CD1 3.75Å; F406-I410 HydrophobicContact CE1-CD1 3.66Å; F406-I410 HydrophobicContact CE1-CG1 4.49Å; F406-I410 WeakPolarHBondContact O-CG1 3.29Å; F406-I410 PolarHBondContact O-N 3.18Å
407	G	86.8	Confident	83.5	Confident	29 Å²	29	95.7 Å²	95.7	30%	0.299	52%	0.515	S	S	.	.	H	α-helix	trans	-59	-45.3	172.4	0	0	0	0	0	112.6	G403 C404 V409 I410 V411	G403-G407 PolarHBondContact O-N 3.08Å; C404-G407 PolarHBondContact O-N 2.93Å; G407-V409 VanDerWaalsContact C-N 3.33Å; G407-V409 PolarHBondContact O-N 3.46Å; G407-I410 PolarHBondContact O-N 2.84Å; G407-I410 VanDerWaalsContact O-N 3.16Å; G407-V411 WeakPolarHBondContact O-CG2 3.35Å; G407-V411 PolarHBondContact O-N 2.8Å
408	M	89.3	Confident	84.8	Confident	118 Å²	118	92.2 Å²	92.2	58%	0.581	51%	0.512	S	S	*	.	H	α-helix	trans	-60.5	-39.9	175.4	-73.9	-69.4	-78.9	0	0	112.2	C404 L405 V411 L412	C404-M408 WeakPolarHBondContact O-CB 3.32Å; C404-M408 VanDerWaalsContact O-CG 3.27Å; C404-M408 WeakPolarHBondContact O-CG 3.45Å; C404-M408 PolarHBondContact O-N 2.78Å; L405-M408 PolarHBondContact O-N 3.27Å; M408-V411 PolarHBondContact O-N 3.35Å; M408-L412 WeakPolarHBondContact O-CB 3.47Å; M408-L412 VanDerWaalsContact O-CG 3.23Å; M408-L412 WeakPolarHBondContact O-CG 3.33Å; M408-L412 PolarHBondContact O-N 3.25Å
409	V	89.1	Confident	85.6	Confident	99 Å²	99	93 Å²	93	60%	0.6	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-40.2	174.5	171.5	0	0	0	0	111.7	L405 F406 G407 G413	L405-V409 WeakPolarHBondContact O-CG2 3.49Å; L405-V409 PolarHBondContact O-N 2.79Å; L405-V409 VanDerWaalsContact O-N 3.08Å; F406-V409 PolarHBondContact O-N 3.39Å; G407-V409 VanDerWaalsContact C-N 3.33Å; G407-V409 PolarHBondContact O-N 3.46Å; V409-G413 PolarHBondContact O-N 3.03Å
410	I	88.4	Confident	86.7	Confident	99 Å²	99	93.5 Å²	93.5	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-46.3	175.3	-69.1	168.9	0	0	0	111	F406 G407 G413 A414	F406-I410 HydrophobicContact CD1-CD1 3.75Å; F406-I410 HydrophobicContact CE1-CD1 3.66Å; F406-I410 HydrophobicContact CE1-CG1 4.49Å; F406-I410 WeakPolarHBondContact O-CG1 3.29Å; F406-I410 PolarHBondContact O-N 3.18Å; G407-I410 PolarHBondContact O-N 2.84Å; G407-I410 VanDerWaalsContact O-N 3.16Å; I410-G413 PolarHBondContact O-N 2.83Å; I410-A414 WeakPolarHBondContact O-CB 3Å; I410-A414 PolarHBondContact O-N 2.96Å
411	V	86.9	Confident	87.2	Confident	86 Å²	86	95.9 Å²	95.9	52%	0.521	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-45.5	179	172.3	0	0	0	0	111	G407 M408 G413 A414 V415	G407-V411 WeakPolarHBondContact O-CG2 3.35Å; G407-V411 PolarHBondContact O-N 2.8Å; M408-V411 PolarHBondContact O-N 3.35Å; V411-G413 VanDerWaalsContact C-N 3.31Å; V411-G413 PolarHBondContact O-N 3.2Å; V411-A414 PolarHBondContact O-N 3.12Å; V411-V415 HydrophobicContact CG1-CG2 4.42Å; V411-V415 WeakPolarHBondContact O-CB 3Å; V411-V415 WeakPolarHBondContact O-CG2 3.08Å; V411-V415 PolarHBondContact O-N 2.88Å
412	L	87.3	Confident	87.5	Confident	113 Å²	113	98.5 Å²	98.5	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-62.2	-38.2	174.8	-72.3	169.1	0	0	0	112	M408 Y416	M408-L412 WeakPolarHBondContact O-CB 3.47Å; M408-L412 VanDerWaalsContact O-CG 3.23Å; M408-L412 WeakPolarHBondContact O-CG 3.33Å; M408-L412 PolarHBondContact O-N 3.25Å; L412-Y416 VanDerWaalsContact O-CB 3.26Å; L412-Y416 WeakPolarHBondContact O-CB 3.41Å; L412-Y416 PolarHBondContact O-N 3.37Å
413	G	90.9	Very high	87.8	Confident	38 Å²	38	102 Å²	102	39%	0.392	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-42.9	172.9	0	0	0	0	0	113	V409 I410 V411 Y417	V409-G413 PolarHBondContact O-N 3.03Å; I410-G413 PolarHBondContact O-N 2.83Å; V411-G413 VanDerWaalsContact C-N 3.31Å; V411-G413 PolarHBondContact O-N 3.2Å; G413-Y417 WeakPolarHBondContact O-CB 3.33Å; G413-Y417 PolarHBondContact O-N 2.96Å
414	A	87.3	Confident	87.6	Confident	50 Å²	50	105 Å²	105	41%	0.413	53%	0.53	S	S	.	.	H	α-helix	trans	-66.9	-43.7	176.4	0	0	0	0	0	112	I410 V411 Y417 C418	I410-A414 WeakPolarHBondContact O-CB 3Å; I410-A414 PolarHBondContact O-N 2.96Å; V411-A414 PolarHBondContact O-N 3.12Å; A414-Y417 PolarHBondContact O-N 2.97Å; A414-C418 WeakPolarHBondContact O-CB 3.29Å; A414-C418 PolarHBondContact O-N 2.85Å; A414-C418 PolarHBondContact O-SG 2.81Å; A414-C418 VanDerWaalsContact O-SG 3.37Å
415	V	90.5	Very high	87.6	Confident	76 Å²	76	106.4 Å²	106.4	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-46.8	174.5	170.2	0	0	0	0	110.7	V411 Y417 C418 L419	V411-V415 HydrophobicContact CG1-CG2 4.42Å; V411-V415 WeakPolarHBondContact O-CB 3Å; V411-V415 WeakPolarHBondContact O-CG2 3.08Å; V411-V415 PolarHBondContact O-N 2.88Å; V415-Y417 VanDerWaalsContact C-N 3.35Å; V415-Y417 PolarHBondContact O-N 3.37Å; V415-C418 PolarHBondContact O-N 3.28Å; V415-L419 HydrophobicContact CG1-CD1 3.89Å; V415-L419 HydrophobicContact CG1-CG 4.38Å; V415-L419 WeakPolarHBondContact O-CB 3.27Å; V415-L419 VanDerWaalsContact O-CG 3.32Å; V415-L419 WeakPolarHBondContact O-CG 3.4Å; V415-L419 PolarHBondContact O-N 3.33Å
416	Y	92.4	Very high	87.8	Confident	141 Å²	141	105 Å²	105	55%	0.553	52%	0.519	S	S	*	.	H	α-helix	trans	-59.4	-43.6	174.9	174.7	-95.8	0	0	0	112	L412 L419 R420	L412-Y416 VanDerWaalsContact O-CB 3.26Å; L412-Y416 WeakPolarHBondContact O-CB 3.41Å; L412-Y416 PolarHBondContact O-N 3.37Å; Y416-L419 PolarHBondContact O-N 3.08Å; Y416-R420 VanDerWaalsContact O-CB 3.23Å; Y416-R420 WeakPolarHBondContact O-CB 3.43Å; Y416-R420 PolarHBondContact O-N 3.44Å; Y416-R420 PolarHBondContact OH-NH1 3.05Å
417	Y	91	Very high	87.6	Confident	147 Å²	147	103.3 Å²	103.3	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-63	-44.1	176.1	176.5	-111.3	0	0	0	112.1	G413 A414 V415 R420 K421	G413-Y417 WeakPolarHBondContact O-CB 3.33Å; G413-Y417 PolarHBondContact O-N 2.96Å; A414-Y417 PolarHBondContact O-N 2.97Å; V415-Y417 VanDerWaalsContact C-N 3.35Å; V415-Y417 PolarHBondContact O-N 3.37Å; Y417-R420 PolarHBondContact O-N 3.46Å; Y417-K421 HydrophobicContact CE1-CD 4.48Å; Y417-K421 VanDerWaalsContact O-CB 3.23Å; Y417-K421 WeakPolarHBondContact O-CB 3.18Å; Y417-K421 PolarHBondContact O-N 2.89Å
418	C	88.4	Confident	87.3	Confident	77 Å²	77	108.5 Å²	108.5	52%	0.52	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-44.1	176.3	-75.3	0	0	0	0	112.3	A414 V415 K421 R422	A414-C418 WeakPolarHBondContact O-CB 3.29Å; A414-C418 PolarHBondContact O-N 2.85Å; A414-C418 PolarHBondContact O-SG 2.81Å; A414-C418 VanDerWaalsContact O-SG 3.37Å; V415-C418 PolarHBondContact O-N 3.28Å; C418-K421 PolarHBondContact O-N 2.84Å; C418-R422 VanDerWaalsContact O-CB 3.29Å; C418-R422 WeakPolarHBondContact O-CB 3.47Å; C418-R422 PolarHBondContact O-N 3.4Å
419	L	86.6	Confident	86.6	Confident	109 Å²	109	108.3 Å²	108.3	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-63.4	-41.3	175	-70.6	171.9	0	0	0	111.9	V415 Y416 R422 R423	V415-L419 HydrophobicContact CG1-CD1 3.89Å; V415-L419 HydrophobicContact CG1-CG 4.38Å; V415-L419 WeakPolarHBondContact O-CB 3.27Å; V415-L419 VanDerWaalsContact O-CG 3.32Å; V415-L419 WeakPolarHBondContact O-CG 3.4Å; V415-L419 PolarHBondContact O-N 3.33Å; Y416-L419 PolarHBondContact O-N 3.08Å; L419-R422 PolarHBondContact O-N 3.3Å; L419-R423 PolarHBondContact O-N 2.89Å
420	R	90	Very high	86.2	Confident	145 Å²	145	110.3 Å²	110.3	55%	0.547	53%	0.526	S	S	.	.	H	α-helix	trans	-67.7	-40.2	176.6	-175.1	170.2	177.1	157.9	-5	112.3	Y416 Y417 R423 M424	Y416-R420 VanDerWaalsContact O-CB 3.23Å; Y416-R420 WeakPolarHBondContact O-CB 3.43Å; Y416-R420 PolarHBondContact O-N 3.44Å; Y416-R420 PolarHBondContact OH-NH1 3.05Å; Y417-R420 PolarHBondContact O-N 3.46Å; R420-R423 PolarHBondContact O-N 3.03Å; R420-M424 PolarHBondContact O-N 2.98Å
421	K	87.3	Confident	85.6	Confident	109 Å²	109	108.2 Å²	108.2	47%	0.474	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-43	174	-175.2	177.9	177.9	-176	0	111	Y417 C418 M424 Q425	Y417-K421 HydrophobicContact CE1-CD 4.48Å; Y417-K421 VanDerWaalsContact O-CB 3.23Å; Y417-K421 WeakPolarHBondContact O-CB 3.18Å; Y417-K421 PolarHBondContact O-N 2.89Å; C418-K421 PolarHBondContact O-N 2.84Å; K421-M424 PolarHBondContact O-N 3.39Å; K421-Q425 WeakPolarHBondContact O-CG 3.33Å; K421-Q425 PolarHBondContact O-N 2.79Å
422	R	88.4	Confident	85.1	Confident	155 Å²	155	107.8 Å²	107.8	59%	0.585	52%	0.517	S	S	*	.	H	α-helix	trans	-60.7	-48.3	173.7	178.2	176.2	168.6	166.1	-0.3	111.7	C418 L419 M424 Q425 E426	C418-R422 VanDerWaalsContact O-CB 3.29Å; C418-R422 WeakPolarHBondContact O-CB 3.47Å; C418-R422 PolarHBondContact O-N 3.4Å; L419-R422 PolarHBondContact O-N 3.3Å; R422-M424 VanDerWaalsContact C-N 3.32Å; R422-M424 PolarHBondContact O-N 3.08Å; R422-Q425 CarbonylContact O-C 3.25Å; R422-Q425 WeakPolarHBondContact O-CA 3.27Å; R422-Q425 WeakPolarHBondContact O-CB 3.47Å; R422-Q425 PolarHBondContact O-N 2.87Å; R422-E426 HydrophobicContact CG-CG 4.45Å; R422-E426 WeakPolarHBondContact CG-OE1 3.34Å; R422-E426 IonicContact CZ-OE1 3.63Å; R422-E426 IonicContact NE-OE1 2.65Å; R422-E426 PolarHBondContact NE-OE1 3.2Å; R422-E426 IonicContact NH2-OE1 3.49Å; R422-E426 PolarHBondContact NH2-OE1 3.28Å; R422-E426 WeakPolarHBondContact O-CG 3.23Å; R422-E426 PolarHBondContact O-N 3.4Å
423	R	87.6	Confident	84.1	Confident	172 Å²	172	106.5 Å²	106.5	65%	0.649	51%	0.511	S	S	*	.	H	α-helix	trans	-57.9	-43	175.6	-174.7	179.6	-77.1	-167.6	-3.8	111.6	L419 R420 Q425 E426 E427	L419-R423 PolarHBondContact O-N 2.89Å; R420-R423 PolarHBondContact O-N 3.03Å; R423-Q425 VanDerWaalsContact C-N 3.33Å; R423-Q425 PolarHBondContact O-N 2.9Å; R423-E426 PolarHBondContact O-N 3.41Å; R423-E427 WeakPolarHBondContact CG-OE1 3.42Å; R423-E427 WeakPolarHBondContact O-CB 3.45Å; R423-E427 WeakPolarHBondContact O-CG 3.4Å; R423-E427 PolarHBondContact O-N 2.89Å
424	M	81.9	Confident	83.4	Confident	105 Å²	105	108.5 Å²	108.5	52%	0.517	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-32	173.1	-87.5	-165.4	167	0	0	113.9	R420 K421 R422 K428	R420-M424 PolarHBondContact O-N 2.98Å; K421-M424 PolarHBondContact O-N 3.39Å; R422-M424 VanDerWaalsContact C-N 3.32Å; R422-M424 PolarHBondContact O-N 3.08Å; M424-K428 WeakPolarHBondContact O-CB 3.19Å; M424-K428 VanDerWaalsContact O-CG 3.25Å; M424-K428 WeakPolarHBondContact O-CG 3.29Å; M424-K428 PolarHBondContact O-N 2.91Å
425	Q	79	Confident	82.6	Confident	118 Å²	118	112.9 Å²	112.9	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-71.2	-40	173.2	-73.8	174.6	-67.1	0	0	111.3	K421 R422 R423 K428 Q429	K421-Q425 WeakPolarHBondContact O-CG 3.33Å; K421-Q425 PolarHBondContact O-N 2.79Å; R422-Q425 CarbonylContact O-C 3.25Å; R422-Q425 WeakPolarHBondContact O-CA 3.27Å; R422-Q425 WeakPolarHBondContact O-CB 3.47Å; R422-Q425 PolarHBondContact O-N 2.87Å; R423-Q425 VanDerWaalsContact C-N 3.33Å; R423-Q425 PolarHBondContact O-N 2.9Å; Q425-K428 PolarHBondContact O-N 3.36Å; Q425-Q429 WeakPolarHBondContact O-CB 3.32Å; Q425-Q429 PolarHBondContact O-N 2.65Å
426	E	86.8	Confident	81.6	Confident	77 Å²	77	114.4 Å²	114.4	36%	0.36	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-39.9	175.2	-69.9	170.8	-179.1	0	0	111.9	R422 R423 Q429 K430	R422-E426 HydrophobicContact CG-CG 4.45Å; R422-E426 WeakPolarHBondContact CG-OE1 3.34Å; R422-E426 IonicContact CZ-OE1 3.63Å; R422-E426 IonicContact NE-OE1 2.65Å; R422-E426 PolarHBondContact NE-OE1 3.2Å; R422-E426 IonicContact NH2-OE1 3.49Å; R422-E426 PolarHBondContact NH2-OE1 3.28Å; R422-E426 WeakPolarHBondContact O-CG 3.23Å; R422-E426 PolarHBondContact O-N 3.4Å; R423-E426 PolarHBondContact O-N 3.41Å; E426-Q429 PolarHBondContact O-N 3.3Å; E426-K430 WeakPolarHBondContact O-CB 3.26Å; E426-K430 VanDerWaalsContact O-CG 3.26Å; E426-K430 WeakPolarHBondContact O-CG 3.47Å; E426-K430 PolarHBondContact O-N 2.95Å
427	E	83.1	Confident	80.5	Confident	107 Å²	107	111 Å²	111	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-43.6	171.5	-74.7	166.9	-171.4	0	0	111.8	R423 K430 S431	R423-E427 WeakPolarHBondContact CG-OE1 3.42Å; R423-E427 WeakPolarHBondContact O-CB 3.45Å; R423-E427 WeakPolarHBondContact O-CG 3.4Å; R423-E427 PolarHBondContact O-N 2.89Å; E427-K430 PolarHBondContact O-N 2.02Å; E427-S431 PolarHBondContact O-N 2.82Å
428	K	81.2	Confident	79.3	Confident	138 Å²	138	108.2 Å²	108.2	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-63	-44.5	174.1	-78.2	175.4	-179.9	-176.6	0	111.5	M424 Q425 K430 S431 V432	M424-K428 WeakPolarHBondContact O-CB 3.19Å; M424-K428 VanDerWaalsContact O-CG 3.25Å; M424-K428 WeakPolarHBondContact O-CG 3.29Å; M424-K428 PolarHBondContact O-N 2.91Å; Q425-K428 PolarHBondContact O-N 3.36Å; K428-K430 PolarHBondContact O-N 3.04Å; K428-S431 CarbonylContact O-C 3.57Å; K428-S431 WeakPolarHBondContact O-CA 3.35Å; K428-S431 WeakPolarHBondContact O-CB 3.47Å; K428-S431 PolarHBondContact O-N 2.99Å; K428-S431 VanDerWaalsContact O-N 3.1Å; K428-S431 PolarHBondContact O-OG 3.07Å; K428-V432 WeakPolarHBondContact O-CG2 3.33Å; K428-V432 PolarHBondContact O-N 3.27Å
429	Q	75.3	Confident	77.9	Confident	114 Å²	114	110 Å²	110	53%	0.533	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-40.8	177.5	-166.5	66.2	15.3	0	0	111.6	Q425 E426 S431 V432 N433	Q425-Q429 WeakPolarHBondContact O-CB 3.32Å; Q425-Q429 PolarHBondContact O-N 2.65Å; E426-Q429 PolarHBondContact O-N 3.3Å; Q429-S431 VanDerWaalsContact C-N 3.35Å; Q429-S431 PolarHBondContact O-N 2.77Å; Q429-V432 PolarHBondContact O-N 3.14Å; Q429-N433 WeakPolarHBondContact O-CB 2.94Å; Q429-N433 PolarHBondContact O-N 2.97Å
430	K	79.6	Confident	76.5	Confident	141 Å²	141	109.5 Å²	109.5	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-59.3	-44.1	170.5	-74.5	168.3	-178.5	177.2	0	111.3	E426 E427 K428 V432 N433 V434	E426-K430 WeakPolarHBondContact O-CB 3.26Å; E426-K430 VanDerWaalsContact O-CG 3.26Å; E426-K430 WeakPolarHBondContact O-CG 3.47Å; E426-K430 PolarHBondContact O-N 2.95Å; E427-K430 PolarHBondContact O-N 2.02Å; K428-K430 PolarHBondContact O-N 3.04Å; K430-V432 VanDerWaalsContact C-N 3.32Å; K430-V432 PolarHBondContact O-N 3Å; K430-N433 PolarHBondContact O-N 2.97Å; K430-V434 WeakPolarHBondContact O-CB 3.45Å; K430-V434 VanDerWaalsContact O-CG2 3.27Å; K430-V434 WeakPolarHBondContact O-CG2 3.09Å; K430-V434 PolarHBondContact O-N 2.97Å
431	S	75.8	Confident	74.9	Confident	54 Å²	54	110.1 Å²	110.1	38%	0.378	52%	0.523	S	S	.	.	H	α-helix	trans	-65.7	-31.7	176.9	83.4	0	0	0	0	113.7	E427 K428 Q429 K435	E427-S431 PolarHBondContact O-N 2.82Å; K428-S431 CarbonylContact O-C 3.57Å; K428-S431 WeakPolarHBondContact O-CA 3.35Å; K428-S431 WeakPolarHBondContact O-CB 3.47Å; K428-S431 PolarHBondContact O-N 2.99Å; K428-S431 VanDerWaalsContact O-N 3.1Å; K428-S431 PolarHBondContact O-OG 3.07Å; Q429-S431 VanDerWaalsContact C-N 3.35Å; Q429-S431 PolarHBondContact O-N 2.77Å; S431-K435 WeakPolarHBondContact O-CB 3.25Å; S431-K435 VanDerWaalsContact O-CG 3.25Å; S431-K435 WeakPolarHBondContact O-CG 3.21Å; S431-K435 PolarHBondContact O-N 3.38Å
432	V	76.9	Confident	73.5	Confident	77 Å²	77	114.2 Å²	114.2	47%	0.467	54%	0.535	S	S	.	.	H	α-helix	trans	-76.2	-43.8	176.1	170.5	0	0	0	0	110.6	K428 Q429 K430 V434 K435 K436	K428-V432 WeakPolarHBondContact O-CG2 3.33Å; K428-V432 PolarHBondContact O-N 3.27Å; Q429-V432 PolarHBondContact O-N 3.14Å; K430-V432 VanDerWaalsContact C-N 3.32Å; K430-V432 PolarHBondContact O-N 3Å; V432-V434 PolarHBondContact O-N 2.78Å; V432-K435 CarbonylContact O-C 3.56Å; V432-K435 PolarHBondContact O-N 3.42Å; V432-K436 WeakPolarHBondContact O-CB 3.38Å; V432-K436 PolarHBondContact O-N 2.85Å
433	N	66.9	Low	71.8	Confident	87 Å²	87	116.2 Å²	116.2	47%	0.465	54%	0.544	S	S	.	.	H	α-helix	trans	-61.9	-41.4	173.7	-84.4	15.6	0	0	0	111.7	Q429 K430 K436 T437	Q429-N433 WeakPolarHBondContact O-CB 2.94Å; Q429-N433 PolarHBondContact O-N 2.97Å; K430-N433 PolarHBondContact O-N 2.97Å; N433-K436 WeakPolarHBondContact O-CB 3.49Å; N433-K436 PolarHBondContact O-N 3.33Å; N433-K436 VanDerWaalsContact O-N 3.15Å; N433-T437 PolarHBondContact O-N 3.22Å; N433-T437 PolarHBondContact O-OG1 2.88Å
434	V	75.8	Confident	69.7	Low	80 Å²	80	110.5 Å²	110.5	49%	0.485	54%	0.539	S	S	.	.	H	α-helix	trans	-63.9	-40	174.2	168	0	0	0	0	111.4	K430 V432 K436 T437 I438	K430-V434 WeakPolarHBondContact O-CB 3.45Å; K430-V434 VanDerWaalsContact O-CG2 3.27Å; K430-V434 WeakPolarHBondContact O-CG2 3.09Å; K430-V434 PolarHBondContact O-N 2.97Å; V432-V434 PolarHBondContact O-N 2.78Å; V434-K436 VanDerWaalsContact C-N 3.32Å; V434-K436 PolarHBondContact O-N 3.03Å; V434-T437 PolarHBondContact O-OG1 2.9Å; V434-I438 HydrophobicContact CG1-CD1 3.73Å; V434-I438 HydrophobicContact CG1-CG1 4.49Å; V434-I438 VanDerWaalsContact O-CB 3.3Å; V434-I438 WeakPolarHBondContact O-CB 3.29Å; V434-I438 WeakPolarHBondContact O-CD1 3.03Å; V434-I438 WeakPolarHBondContact O-CG1 3.39Å; V434-I438 PolarHBondContact O-N 3.25Å
435	K	70.8	Confident	67.7	Low	141 Å²	141	110.2 Å²	110.2	61%	0.613	55%	0.553	S	S	*	*	H	α-helix	trans	-65.5	-34.6	172	-76.3	171.4	-179.4	-179.6	0	112.4	S431 V432 L439	S431-K435 WeakPolarHBondContact O-CB 3.25Å; S431-K435 VanDerWaalsContact O-CG 3.25Å; S431-K435 WeakPolarHBondContact O-CG 3.21Å; S431-K435 PolarHBondContact O-N 3.38Å; V432-K435 CarbonylContact O-C 3.56Å; V432-K435 PolarHBondContact O-N 3.42Å; K435-L439 WeakPolarHBondContact O-CD1 3.45Å; K435-L439 PolarHBondContact O-N 3.45Å
436	K	69.8	Low	65.8	Low	109 Å²	109	112.5 Å²	112.5	47%	0.474	57%	0.569	S	S	.	*	H	α-helix	trans	-68.7	-48.5	177.2	-169.5	178.6	173.1	-76.4	0	111.2	V432 N433 V434 I438 L439 E440	V432-K436 WeakPolarHBondContact O-CB 3.38Å; V432-K436 PolarHBondContact O-N 2.85Å; N433-K436 WeakPolarHBondContact O-CB 3.49Å; N433-K436 PolarHBondContact O-N 3.33Å; N433-K436 VanDerWaalsContact O-N 3.15Å; V434-K436 VanDerWaalsContact C-N 3.32Å; V434-K436 PolarHBondContact O-N 3.03Å; K436-I438 VanDerWaalsContact C-N 3.31Å; K436-I438 PolarHBondContact O-N 2.9Å; K436-L439 CarbonylContact O-C 3.51Å; K436-L439 WeakPolarHBondContact O-CB 3.48Å; K436-L439 PolarHBondContact O-N 2.85Å; K436-L439 VanDerWaalsContact O-N 3.07Å; K436-E440 IonicContact NZ-OE1 3.33Å; K436-E440 PolarHBondContact NZ-OE1 3.49Å; K436-E440 IonicContact NZ-OE2 3.18Å; K436-E440 PolarHBondContact NZ-OE2 3.43Å; K436-E440 WeakPolarHBondContact O-CG 3.49Å; K436-E440 PolarHBondContact O-N 3.37Å
437	T	68.1	Low	63.4	Low	68 Å²	68	115 Å²	115	42%	0.417	59%	0.589	S	S	.	*	H	α-helix	trans	-66.7	-30.8	174.4	49.4	0	0	0	0	112.8	N433 V434 E440 M441	N433-T437 PolarHBondContact O-N 3.22Å; N433-T437 PolarHBondContact O-OG1 2.88Å; V434-T437 PolarHBondContact O-OG1 2.9Å; T437-E440 PolarHBondContact O-N 3.03Å; T437-M441 WeakPolarHBondContact O-CB 3.33Å; T437-M441 VanDerWaalsContact O-CG 3.32Å; T437-M441 WeakPolarHBondContact O-CG 3.44Å; T437-M441 PolarHBondContact O-N 3.3Å
438	I	65.7	Low	61.1	Low	90 Å²	90	117.8 Å²	117.8	46%	0.462	61%	0.608	S	S	.	*	H	α-helix	trans	-67.9	-33.8	170	-71.3	167.8	0	0	0	111.8	V434 K436 R442	V434-I438 HydrophobicContact CG1-CD1 3.73Å; V434-I438 HydrophobicContact CG1-CG1 4.49Å; V434-I438 VanDerWaalsContact O-CB 3.3Å; V434-I438 WeakPolarHBondContact O-CB 3.29Å; V434-I438 WeakPolarHBondContact O-CD1 3.03Å; V434-I438 WeakPolarHBondContact O-CG1 3.39Å; V434-I438 PolarHBondContact O-N 3.25Å; K436-I438 VanDerWaalsContact C-N 3.31Å; K436-I438 PolarHBondContact O-N 2.9Å; I438-R442 WeakPolarHBondContact O-CB 3.46Å; I438-R442 PolarHBondContact O-N 2.94Å
439	L	58.8	Low	58.8	Low	114 Å²	114	116 Å²	116	60%	0.597	62%	0.619	S	S	*	*	H	α-helix	trans	-70.4	-45.6	170.6	-105.8	83.5	0	0	0	111.6	K435 K436 M441 R442 Y443	K435-L439 WeakPolarHBondContact O-CD1 3.45Å; K435-L439 PolarHBondContact O-N 3.45Å; K436-L439 CarbonylContact O-C 3.51Å; K436-L439 WeakPolarHBondContact O-CB 3.48Å; K436-L439 PolarHBondContact O-N 2.85Å; K436-L439 VanDerWaalsContact O-N 3.07Å; L439-M441 VanDerWaalsContact C-N 3.32Å; L439-M441 PolarHBondContact O-N 2.95Å; L439-R442 CarbonylContact O-C 3.52Å; L439-R442 PolarHBondContact O-N 3.28Å; L439-Y443 PolarHBondContact O-N 3.19Å
440	E	57.9	Low	56.7	Low	98 Å²	98	114.5 Å²	114.5	46%	0.458	63%	0.634	S	S	.	*	H	α-helix	trans	-65.7	-32	-179.3	-70.5	173	137.5	0	0	112.2	K436 T437 R442 G444	K436-E440 IonicContact NZ-OE1 3.33Å; K436-E440 PolarHBondContact NZ-OE1 3.49Å; K436-E440 IonicContact NZ-OE2 3.18Å; K436-E440 PolarHBondContact NZ-OE2 3.43Å; K436-E440 WeakPolarHBondContact O-CG 3.49Å; K436-E440 PolarHBondContact O-N 3.37Å; T437-E440 PolarHBondContact O-N 3.03Å; E440-R442 VanDerWaalsContact C-N 3.31Å; E440-G444 WeakPolarHBondContact O-CA 3.35Å; E440-G444 PolarHBondContact O-N 3.38Å; E440-G444 VanDerWaalsContact O-N 3.1Å
441	M	56.5	Low	54.5	Low	158 Å²	158	113.1 Å²	113.1	78%	0.778	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-5.8	170	-69	-169.1	-58.9	0	0	114.1	T437 L439	T437-M441 WeakPolarHBondContact O-CB 3.33Å; T437-M441 VanDerWaalsContact O-CG 3.32Å; T437-M441 WeakPolarHBondContact O-CG 3.44Å; T437-M441 PolarHBondContact O-N 3.3Å; L439-M441 VanDerWaalsContact C-N 3.32Å; L439-M441 PolarHBondContact O-N 2.95Å
442	R	56.8	Low	52.4	Low	195 Å²	195	118 Å²	118	74%	0.736	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-19.6	-179	-162.4	173.8	-160.1	-173.5	5.3	113.8	I438 L439 E440	I438-R442 WeakPolarHBondContact O-CB 3.46Å; I438-R442 PolarHBondContact O-N 2.94Å; L439-R442 CarbonylContact O-C 3.52Å; L439-R442 PolarHBondContact O-N 3.28Å; E440-R442 VanDerWaalsContact C-N 3.31Å
443	Y	54.2	Low	50.3	Low	197 Å²	197	119.3 Å²	119.3	77%	0.773	67%	0.67	S	S	*	*	S	Bend	trans	-141.2	39.7	177.5	-67.6	-79	0	0	0	110.6	L439	L439-Y443 PolarHBondContact O-N 3.19Å
444	G	42.7	Very low	48.7	Very low	53 Å²	53	123.9 Å²	123.9	55%	0.546	69%	0.688	S	S	.	*			trans	-83.4	115.4	-178	0	0	0	0	0	112.4	E440	E440-G444 WeakPolarHBondContact O-CA 3.35Å; E440-G444 PolarHBondContact O-N 3.38Å; E440-G444 VanDerWaalsContact O-N 3.1Å
445	A	40.6	Very low	46.6	Very low	99 Å²	99	124.4 Å²	124.4	82%	0.818	70%	0.701	S	S	*	*			trans	55.4	101.3	166.1	0	0	0	0	0	117.3
446	D	38	Very low	44.8	Very low	165 Å²	165	122.1 Å²	122.1	88%	0.882	71%	0.709	S	S	*	*			trans	-153.3	163.3	133.3	-128.7	-29.9	0	0	0	111
447	V	35.9	Very low	42.8	Very low	129 Å²	129	125.5 Å²	125.5	78%	0.782	73%	0.726	S	S	*	*			trans	71.7	88.4	-179.2	-166.2	0	0	0	0	116.5
448	D	36.2	Very low	41.1	Very low	166 Å²	166	131 Å²	131	89%	0.888	74%	0.744	S	S	*	*			trans	-65.8	133.9	142.7	-88.2	-53.1	0	0	0	110.3
449	A	33	Very low	39.3	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	76%	0.762	S	S	*	*			trans	164.2	150.7	139	0	0	0	0	0	113
450	G	30.5	Very low	37.7	Very low	82 Å²	82	132.2 Å²	132.2	85%	0.845	77%	0.768	S	S	*	*			trans	106.8	133.2	148.8	0	0	0	0	0	117.4
451	S	32.9	Very low	36.1	Very low	112 Å²	112	136.2 Å²	136.2	78%	0.783	79%	0.787	S	S	*	*			trans	-97.9	-175	162.7	-174.9	0	0	0	0	109.5
452	I	32.9	Very low	36.2	Very low	157 Å²	157	133.2 Å²	133.2	81%	0.805	78%	0.779	S	S	*	*			trans	76.6	144.6	170.2	-53	170	0	0	0	113.9
453	V	31.7	Very low	36	Very low	104 Å²	104	129 Å²	129	63%	0.63	78%	0.777	S	S	*	*			cis	176	150.7	-38.7	131	0	0	0	0	107.1
454	H	34.8	Very low	35	Very low	183 Å²	183	125.3 Å²	125.3	85%	0.847	78%	0.775	S	S	*	*			trans	63.8	168.1	171.3	-71	-33.5	0	0	0	117.3
455	A	30.3	Very low	34.6	Very low	92 Å²	92	130.1 Å²	130.1	76%	0.76	79%	0.787	S	S	*	*			cis	-162.4	172.3	-34.1	0	0	0	0	0	111.7
456	A	32.8	Very low	35.1	Very low	93 Å²	93	130.5 Å²	130.5	77%	0.769	78%	0.782	S	S	*	*			trans	-43.2	156.5	-175.7	0	0	0	0	0	121.3
457	Q	29.3	Very low	34.8	Very low	179 Å²	179	129.1 Å²	129.1	84%	0.836	78%	0.778	S	S	*	*				-167.3	134.7	128.3	-97.7	167.5	36.3	0	0	109.1
458	K	30.5	Very low	34.5	Very low	184 Å²	184	127.7 Å²	127.7	80%	0.8	77%	0.774	S	S	*	*				66.7	143.2	77.6	-90.7	-166.4	175.2	-175.6	0	114
459	L	28.6	Very low	34.4	Very low	158 Å²	158	130.2 Å²	130.2	83%	0.827	77%	0.771	S	S	*	*			cis	-163.4	155.5	-0.9	-175.4	73.2	0	0	0	109.6
460	G	26.1	Very low	34.3	Very low	71 Å²	71	133.4 Å²	133.4	73%	0.732	77%	0.771	S	S	*	*			trans	161.1	122.2	162.9	0	0	0	0	0	114.5
461	E	24.6	Very low	34.1	Very low	183 Å²	183	134 Å²	134	86%	0.855	77%	0.768	S	S	*	*			trans	-159.5	-179.6	-170.6	-142.6	-150.7	175.1	0	0	112.8
462	P	57.8	Low	34	Very low	94 Å²	94	133.3 Å²	133.3	61%	0.61	76%	0.763	S	S	*	*				-92.7	-96.5	-100.7	28.4	-9.4	0	0	0	112.9
463	P	52.8	Low	34	Very low	108 Å²	108	133.2 Å²	133.2	70%	0.701	76%	0.763	S	S	*	*			cis	-84.3	-147.9	-23.7	11.4	12.3	0	0	0	111.1
464	V	32	Very low	34.5	Very low	118 Å²	118	134 Å²	134	72%	0.715	77%	0.77	S	S	*	*			cis	-151.2	116.5	16.7	179	0	0	0	0	112
465	L	35.5	Very low	34.4	Very low	154 Å²	154	129.8 Å²	129.8	81%	0.806	76%	0.761	S	S	*	*			trans	40.7	162.6	131.2	-50	-178	0	0	0	123.5
466	P	51.1	Low	34.2	Very low	108 Å²	108	132.6 Å²	132.6	70%	0.701	76%	0.76	S	S	*	*				-145.7	179.1	-50.5	42.5	-26.3	0	0	0	115.1
467	V	30.9	Very low	34.2	Very low	135 Å²	135	135.7 Å²	135.7	82%	0.818	76%	0.762	S	S	*	*				178.8	145.3	125.8	147.9	0	0	0	0	112
468	S	31.2	Very low	34.1	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	76%	0.757	S	S	*	*			trans	-1.5	134.5	172.6	-56.4	0	0	0	0	121.6
469	R	32.8	Very low	34	Very low	220 Å²	220	128.6 Å²	128.6	83%	0.83	75%	0.751	S	S	*	*				67.1	133.6	58.2	-68.7	-174.7	174.2	-176.2	-1.1	113.7
470	M	31.8	Very low	33.8	Very low	168 Å²	168	128.9 Å²	128.9	83%	0.828	75%	0.745	S	S	*	*			cis	-148.9	-164.5	8.7	-120.8	154.6	164.9	0	0	109.7
471	A	26.2	Very low	33.7	Very low	95 Å²	95	132.5 Å²	132.5	79%	0.785	75%	0.747	S	S	*	*			cis	-143.2	-138.1	18.8	0	0	0	0	0	113.3
472	S	29.9	Very low	34.5	Very low	97 Å²	97	128.9 Å²	128.9	68%	0.678	74%	0.739	S	S	*	*			trans	-164.9	148.7	-154.8	59.7	0	0	0	0	120.6
473	I	32.4	Very low	33	Very low	155 Å²	155	130 Å²	130	80%	0.795	75%	0.745	S	S	*	*			trans	71.9	160.8	144.6	-68.4	162.3	0	0	0	117.2
474	P	43.4	Very low	32	Very low	120 Å²	120	128.5 Å²	128.5	78%	0.779	74%	0.741	S	S	*	*			cis	-120.5	-162.1	-10.9	24	0.5	0	0	0	113.9
475	S	31.7	Very low	31.9	Very low	95 Å²	95	133 Å²	133	66%	0.664	75%	0.751	S	S	*	*			cis	179.6	175.1	-46.5	-166.9	0	0	0	0	111.9
476	M	27.6	Very low	31.4	Very low	150 Å²	150	129.2 Å²	129.2	74%	0.739	75%	0.749	S	S	*	*			trans	92.2	112.9	162.5	-49.3	-42.2	-161.9	0	0	118.8
477	I	32.1	Very low	30.4	Very low	158 Å²	158	131.4 Å²	131.4	81%	0.81	75%	0.754	S	S	*	*				72.9	129.5	90.1	-64	165.2	0	0	0	112.8
478	G	27.8	Very low	30.3	Very low	70 Å²	70	133.2 Å²	133.2	72%	0.722	75%	0.754	S	S	*	*			cis	-169.2	-162.6	4.3	0	0	0	0	0	110.2
479	E	26.7	Very low	30.1	Very low	145 Å²	145	133.5 Å²	133.5	68%	0.678	76%	0.762	S	S	*	*			cis	-168	177.8	-8.3	-108.1	-80.1	44.5	0	0	112
480	K	25.6	Very low	29.8	Very low	163 Å²	163	127 Å²	127	71%	0.709	76%	0.764	S	S	*	*			trans	-25.8	132.7	177.8	-69.7	139.1	-174.4	157.3	0	123.8
481	L	23.8	Very low	29.6	Very low	148 Å²	148	126.8 Å²	126.8	78%	0.775	77%	0.765	S	S	*	*				31.4	148.2	93.5	-141.6	52.9	0	0	0	118.2	T483	L481-T483 HydrophobicContact CD1-CG2 4.09Å; L481-T483 HydrophobicContact CG-CG2 4.18Å
482	P	40.2	Very low	29.6	Very low	106 Å²	106	129.6 Å²	129.6	69%	0.688	77%	0.767	S	S	*	*			cis	-146.2	160.4	36	42.8	-20.8	0	0	0	118.6
483	T	27.4	Very low	29.6	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.724	77%	0.773	S	S	*	*				52.2	151.6	92	97.8	0	0	0	0	117.7	L481	L481-T483 HydrophobicContact CD1-CG2 4.09Å; L481-T483 HydrophobicContact CG-CG2 4.18Å
484	A	31.4	Very low	29.9	Very low	76 Å²	76	129.1 Å²	129.1	63%	0.628	77%	0.769	S	S	*	*			cis	-172.8	165	2.9	0	0	0	0	0	112.9
485	K	29.9	Very low	29.1	Very low	214 Å²	214	132.8 Å²	132.8	93%	0.93	77%	0.773	S	S	*	*			trans	57.8	156.9	153.2	-62.6	170.3	-178.7	-176.7	0	117.2
486	G	26	Very low	28.8	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	78%	0.779	S	S	*	*			cis	178.9	-170.2	8.4	0	0	0	0	0	106
487	L	28.7	Very low	28.8	Very low	154 Å²	154	131.5 Å²	131.5	81%	0.806	78%	0.778	S	S	*	*			cis	-162.2	142.2	2.8	-175.1	75.3	0	0	0	109.1
488	E	28.7	Very low	28.6	Very low	173 Å²	173	129.7 Å²	129.7	81%	0.808	77%	0.774	S	S	*	*			trans	40.3	157.5	154.9	-69.9	-178.1	-162.5	0	0	127.1
489	A	27.4	Very low	28.6	Very low	105 Å²	105	135.8 Å²	135.8	87%	0.868	78%	0.781	S	S	*	*			trans	102.9	137.3	143.2	0	0	0	0	0	119.7
490	G	27	Very low	28.6	Very low	84 Å²	84	132.2 Å²	132.2	87%	0.866	78%	0.783	S	S	*	*			trans	125.5	111	171	0	0	0	0	0	114.4
491	L	27.5	Very low	28.7	Very low	162 Å²	162	133 Å²	133	85%	0.848	80%	0.795	S	S	*	*			trans	-114.4	128.1	167.4	-162	84.1	0	0	0	108.3
492	D	27.3	Very low	28.8	Very low	154 Å²	154	135.1 Å²	135.1	82%	0.824	79%	0.794	S	S	*	*			trans	163.4	160.4	139	-86	-19.8	0	0	0	112.2
493	T	29.3	Very low	28.5	Very low	132 Å²	132	138.1 Å²	138.1	81%	0.81	80%	0.802	S	S	*	*			trans	-121.5	157.9	-176.7	74.3	0	0	0	0	108.3
494	P	38.2	Very low	28.5	Very low	110 Å²	110	137.4 Å²	137.4	71%	0.714	79%	0.791	S	S	*	*				-157.4	167.1	53.2	43.7	-21.7	0	0	0	120.1
495	K	25.8	Very low	28.3	Very low	197 Å²	197	139.9 Å²	139.9	86%	0.857	80%	0.798	S	S	*	*			trans	44.8	129.9	140.3	-79.1	-175.6	176.2	177.6	0	123.4
496	V	26.8	Very low	28.2	Very low	132 Å²	132	139.3 Å²	139.3	80%	0.8	79%	0.79	S	S	*	*			trans	94.6	85.1	135.5	176.3	0	0	0	0	119.9
497	A	26.7	Very low	28.3	Very low	86 Å²	86	143 Å²	143	71%	0.711	80%	0.798	S	S	*	*				79.1	145.4	115.3	0	0	0	0	0	124.7
498	T	27.5	Very low	28.2	Very low	120 Å²	120	139.3 Å²	139.3	74%	0.736	80%	0.797	S	S	*	*			trans	109.1	125.5	144.4	-39	0	0	0	0	117.6
499	K	28.6	Very low	28.2	Very low	199 Å²	199	136.4 Å²	136.4	87%	0.865	80%	0.803	S	S	*	*			trans	30.3	129.8	159.9	-62.6	173.6	179.7	179.2	0	118.9
500	G	27.3	Very low	28.2	Very low	69 Å²	69	135.5 Å²	135.5	71%	0.711	80%	0.803	S	S	*	*			cis	100.1	112.4	11.5	0	0	0	0	0	112.8
501	N	27.1	Very low	28.1	Very low	179 Å²	179	134.8 Å²	134.8	96%	0.957	80%	0.796	S	S	*	*			trans	-163.6	173.1	159.7	-124.1	5	0	0	0	112.2
502	Y	26.5	Very low	28.2	Very low	194 Å²	194	135.4 Å²	135.4	76%	0.761	80%	0.8	S	S	*	*			trans	-141.5	148.8	-162.8	-178.4	-79.8	0	0	0	111.2	E504	Y502-E504 WeakPolarHBondContact CE1-O 3.26Å; Y502-E504 PolarHBondContact OH-O 3Å
503	I	32.5	Very low	28.1	Very low	168 Å²	168	131.5 Å²	131.5	86%	0.862	80%	0.796	S	S	*	*			trans	-167.4	134.7	170.4	-104.7	148.1	0	0	0	109
504	E	27.8	Very low	28	Very low	104 Å²	104	133.8 Å²	133.8	49%	0.486	80%	0.803	S	S	.	*			cis	-129.9	-115	-20.8	-158.8	-146.5	154.7	0	0	111.4	Y502 R506	Y502-E504 WeakPolarHBondContact CE1-O 3.26Å; Y502-E504 PolarHBondContact OH-O 3Å; E504-R506 WeakPolarHBondContact OE1-CD 3.35Å; E504-R506 VanDerWaalsContact OE1-CG 3.27Å; E504-R506 WeakPolarHBondContact OE1-CG 3.4Å
505	V	28.4	Very low	27.5	Very low	127 Å²	127	133.1 Å²	133.1	77%	0.77	81%	0.806	S	S	*	*			cis	-148.1	169	-0.6	-152	0	0	0	0	107.5
506	R	26.2	Very low	27.5	Very low	203 Å²	203	134.6 Å²	134.6	77%	0.766	81%	0.806	S	S	*	*			trans	-135.8	148.5	-167.7	-59.5	169.2	80.2	104.2	0.7	115.5	E504	E504-R506 WeakPolarHBondContact OE1-CD 3.35Å; E504-R506 VanDerWaalsContact OE1-CG 3.27Å; E504-R506 WeakPolarHBondContact OE1-CG 3.4Å
507	T	28.3	Very low	28	Very low	151 Å²	151	134.2 Å²	134.2	93%	0.926	81%	0.807	S	S	*	*			trans	158	149.2	146.9	31.3	0	0	0	0	109.6
508	G	27.3	Very low	28.1	Very low	76 Å²	76	138 Å²	138	78%	0.784	81%	0.81	S	S	*	*			cis	128.2	133	-9.3	0	0	0	0	0	113.2
509	A	29.2	Very low	28.2	Very low	113 Å²	113	139.3 Å²	139.3	93%	0.934	81%	0.812	S	S	*	*			cis	-167.6	168.3	-10.4	0	0	0	0	0	111.4
510	G	26.9	Very low	28.2	Very low	85 Å²	85	137.6 Å²	137.6	88%	0.876	81%	0.813	S	S	*	*			trans	112.2	164.8	178	0	0	0	0	0	114.2
511	G	25.9	Very low	28.4	Very low	70 Å²	70	141.9 Å²	141.9	72%	0.722	82%	0.818	S	S	*	*			cis	172.8	151.3	-7	0	0	0	0	0	112.4
512	D	28	Very low	29.3	Very low	175 Å²	175	138.2 Å²	138.2	94%	0.936	80%	0.804	S	S	*	*			trans	57.6	142.2	163.8	-58.7	-21.9	0	0	0	124.3
513	G	25.6	Very low	29.3	Very low	71 Å²	71	135.4 Å²	135.4	73%	0.732	80%	0.802	S	S	*	*				116.8	75.9	107.4	0	0	0	0	0	124.1
514	L	27.2	Very low	29.2	Very low	181 Å²	181	134.1 Å²	134.1	95%	0.948	80%	0.796	S	S	*	*			trans	68.5	157.1	138.4	-115.9	73.9	0	0	0	124.7
515	A	28.1	Very low	29.6	Very low	96 Å²	96	137.8 Å²	137.8	79%	0.793	81%	0.813	S	S	*	*			trans	86.4	147.5	152.5	0	0	0	0	0	122.9
516	R	25.6	Very low	29.7	Very low	227 Å²	227	139.9 Å²	139.9	86%	0.857	82%	0.821	S	S	*	*			trans	-124.3	160.1	165.4	-61.6	173.5	74.4	177.3	2.5	107.6
517	P	36.5	Very low	30.6	Very low	125 Å²	125	133.7 Å²	133.7	81%	0.812	82%	0.82	S	S	*	*				-139	-140.4	100.6	38.6	-23.7	0	0	0	113.3
518	E	30.1	Very low	31	Very low	166 Å²	166	135.7 Å²	135.7	78%	0.776	82%	0.819	S	S	*	*			trans	-116	164.3	-150.7	-64.9	168.2	130.4	0	0	115.3
519	D	30	Very low	31.4	Very low	146 Å²	146	133.6 Å²	133.6	78%	0.781	80%	0.797	S	S	*	*			trans	39.2	120.1	154.4	-59.2	-8.1	0	0	0	122.4
520	D	28.4	Very low	32.2	Very low	164 Å²	164	132.3 Å²	132.3	88%	0.877	78%	0.782	S	S	*	*				-168.2	166.2	112.7	-114	-28.7	0	0	0	113.3
521	L	30	Very low	33	Very low	159 Å²	159	132.5 Å²	132.5	83%	0.832	78%	0.775	S	S	*	*			trans	-131.5	163.9	171.9	-111.2	97.5	0	0	0	108.9
522	P	46.1	Very low	34	Very low	101 Å²	101	132.2 Å²	132.2	66%	0.656	77%	0.765	S	S	*	*			cis	-139.5	-154.1	19.1	43	-22.4	0	0	0	115
523	D	27.8	Very low	34.8	Very low	136 Å²	136	129.1 Å²	129.1	73%	0.727	75%	0.745	S	S	*	*			trans	91.7	106.3	156.3	-75.3	-3.3	0	0	0	122.9
524	L	30.3	Very low	36.1	Very low	140 Å²	140	131.5 Å²	131.5	73%	0.733	74%	0.74	S	S	*	*			trans	68.7	108.1	130.9	-67.1	168.1	0	0	0	122
525	E	35.1	Very low	37.2	Very low	181 Å²	181	126.2 Å²	126.2	85%	0.846	72%	0.718	S	S	*	*			trans	40.7	112.2	140.6	-62.3	-165.5	109.4	0	0	120.5
526	N	32.2	Very low	38.5	Very low	172 Å²	172	125.3 Å²	125.3	92%	0.92	70%	0.703	S	S	*	*				-144.2	142.6	118.6	-142	-31.1	0	0	0	112.3	Q528	N526-Q528 PolarHBondContact O-N 3.1Å
527	G	44.2	Very low	39.8	Very low	73 Å²	73	119.6 Å²	119.6	75%	0.753	69%	0.688	S	S	*	*			trans	-91	95.9	-164.6	0	0	0	0	0	114.5
528	Q	37.5	Very low	40.7	Very low	192 Å²	192	116 Å²	116	90%	0.897	67%	0.669	S	S	*	*			trans	-145.9	19	174.1	-121.7	171.3	10.5	0	0	116.9	N526	N526-Q528 PolarHBondContact O-N 3.1Å
529	G	35.5	Very low	41.8	Very low	33 Å²	33	114.6 Å²	114.6	34%	0.34	66%	0.66	S	S	.	*			trans	-83.5	-37.8	-178	0	0	0	0	0	116.7	A531 A532 E533	G529-A531 PolarHBondContact O-N 3.18Å; G529-A532 PolarHBondContact O-N 3.44Å; G529-E533 PolarHBondContact O-N 2.94Å
530	S	44.8	Very low	43.4	Very low	86 Å²	86	112.1 Å²	112.1	60%	0.601	64%	0.644	S	S	*	*	H	α-helix	trans	-68	-9.9	-156.1	-47.4	0	0	0	0	117.1	I534	S530-I534 VanDerWaalsContact O-CD1 3.26Å; S530-I534 WeakPolarHBondContact O-CD1 3.36Å; S530-I534 VanDerWaalsContact O-CG1 3.29Å; S530-I534 WeakPolarHBondContact O-CG1 3.3Å
531	A	43.6	Very low	45.3	Very low	89 Å²	89	108 Å²	108	74%	0.736	62%	0.624	S	S	*	*	H	α-helix	trans	-85.1	-31.6	171.6	0	0	0	0	0	112.7	G529	G529-A531 PolarHBondContact O-N 3.18Å
532	A	46.8	Very low	46.9	Very low	63 Å²	63	105.4 Å²	105.4	52%	0.521	61%	0.612	S	S	.	*	H	α-helix	trans	-79.3	-42	178.5	0	0	0	0	0	111.3	G529 I534 S535 T536	G529-A532 PolarHBondContact O-N 3.44Å; A532-I534 PolarHBondContact O-N 3.31Å; A532-S535 WeakPolarHBondContact O-CB 3.42Å; A532-S535 PolarHBondContact O-N 3.22Å; A532-S535 VanDerWaalsContact O-N 3.08Å; A532-T536 PolarHBondContact O-N 2.88Å; A532-T536 PolarHBondContact O-OG1 3Å
533	E	46.1	Very low	47.8	Very low	110 Å²	110	105.4 Å²	105.4	51%	0.514	60%	0.601	S	S	.	*	H	α-helix	trans	-63.8	-38.2	-178	-64.6	171.8	135.8	0	0	112.7	G529 S535 T536 I537	G529-E533 PolarHBondContact O-N 2.94Å; E533-S535 VanDerWaalsContact C-N 3.26Å; E533-S535 PolarHBondContact O-N 3.19Å; E533-T536 WeakPolarHBondContact CA-OG1 3.44Å; E533-T536 PolarHBondContact O-N 3.28Å; E533-T536 PolarHBondContact O-OG1 3.16Å; E533-I537 WeakPolarHBondContact O-CB 3.48Å; E533-I537 WeakPolarHBondContact O-CD1 3.4Å; E533-I537 WeakPolarHBondContact O-CG1 3.38Å; E533-I537 PolarHBondContact O-N 3.25Å
534	I	52	Low	49.7	Very low	121 Å²	121	102.7 Å²	102.7	62%	0.621	59%	0.589	S	S	*	*	H	α-helix	trans	-65.8	-32.8	175.4	-64.7	174.4	0	0	0	110.8	S530 A532 A538	S530-I534 VanDerWaalsContact O-CD1 3.26Å; S530-I534 WeakPolarHBondContact O-CD1 3.36Å; S530-I534 VanDerWaalsContact O-CG1 3.29Å; S530-I534 WeakPolarHBondContact O-CG1 3.3Å; A532-I534 PolarHBondContact O-N 3.31Å; I534-A538 WeakPolarHBondContact O-CB 3.18Å; I534-A538 PolarHBondContact O-N 3.28Å
535	S	50.9	Low	51.1	Low	70 Å²	70	99.6 Å²	99.6	49%	0.49	57%	0.574	S	S	.	*	H	α-helix	trans	-74.6	-37.3	177.9	-170.2	0	0	0	0	112.7	A532 E533 K539	A532-S535 WeakPolarHBondContact O-CB 3.42Å; A532-S535 PolarHBondContact O-N 3.22Å; A532-S535 VanDerWaalsContact O-N 3.08Å; E533-S535 VanDerWaalsContact C-N 3.26Å; E533-S535 PolarHBondContact O-N 3.19Å; S535-K539 PolarHBondContact O-N 3.24Å; S535-K539 VanDerWaalsContact O-N 3.14Å
536	T	53.9	Low	52.7	Low	78 Å²	78	96.7 Å²	96.7	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-71.4	-42.5	172.9	53.9	0	0	0	0	111.6	A532 E533 A538 K539 E540	A532-T536 PolarHBondContact O-N 2.88Å; A532-T536 PolarHBondContact O-OG1 3Å; E533-T536 WeakPolarHBondContact CA-OG1 3.44Å; E533-T536 PolarHBondContact O-N 3.28Å; E533-T536 PolarHBondContact O-OG1 3.16Å; T536-A538 VanDerWaalsContact C-N 3.32Å; T536-A538 PolarHBondContact O-N 3.16Å; T536-K539 PolarHBondContact O-N 3.06Å; T536-K539 VanDerWaalsContact O-N 3.13Å; T536-E540 WeakPolarHBondContact O-CG 3.35Å; T536-E540 PolarHBondContact O-N 2.95Å
537	I	54.6	Low	54.5	Low	107 Å²	107	93.4 Å²	93.4	55%	0.549	54%	0.542	S	S	.	.	H	α-helix	trans	-59.2	-43	174.9	-69.6	165.3	0	0	0	110.9	E533 K539 E540 V541	E533-I537 WeakPolarHBondContact O-CB 3.48Å; E533-I537 WeakPolarHBondContact O-CD1 3.4Å; E533-I537 WeakPolarHBondContact O-CG1 3.38Å; E533-I537 PolarHBondContact O-N 3.25Å; I537-K539 PolarHBondContact O-N 3.42Å; I537-E540 PolarHBondContact O-N 3.08Å; I537-V541 HydrophobicContact CG2-CG2 4.45Å; I537-V541 WeakPolarHBondContact O-CB 3.33Å; I537-V541 VanDerWaalsContact O-CG2 3.3Å; I537-V541 WeakPolarHBondContact O-CG2 3.29Å; I537-V541 PolarHBondContact O-N 3.41Å
538	A	54	Low	55.8	Low	48 Å²	48	93.9 Å²	93.9	40%	0.397	53%	0.526	S	S	.	.	H	α-helix	trans	-59	-46.8	173.8	0	0	0	0	0	112.1	I534 T536 E540 V541 D542	I534-A538 WeakPolarHBondContact O-CB 3.18Å; I534-A538 PolarHBondContact O-N 3.28Å; T536-A538 VanDerWaalsContact C-N 3.32Å; T536-A538 PolarHBondContact O-N 3.16Å; A538-E540 PolarHBondContact O-N 3.41Å; A538-V541 PolarHBondContact O-N 2.88Å; A538-D542 PolarHBondContact O-N 3.38Å
539	K	53.4	Low	57.4	Low	138 Å²	138	89 Å²	89	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-38.9	177	-82.5	-176.4	172.9	-179.8	0	114	S535 T536 I537 K543	S535-K539 PolarHBondContact O-N 3.24Å; S535-K539 VanDerWaalsContact O-N 3.14Å; T536-K539 PolarHBondContact O-N 3.06Å; T536-K539 VanDerWaalsContact O-N 3.13Å; I537-K539 PolarHBondContact O-N 3.42Å; K539-K543 WeakPolarHBondContact O-CB 3.49Å; K539-K543 WeakPolarHBondContact O-CG 3.22Å; K539-K543 PolarHBondContact O-N 2.85Å
540	E	63.5	Low	59	Low	93 Å²	93	92.2 Å²	92.2	44%	0.435	52%	0.515	S	S	.	.	H	α-helix	trans	-72.8	-33.2	176.5	-59.5	-42.1	120.5	0	0	111.8	T536 I537 A538 K543 V544	T536-E540 WeakPolarHBondContact O-CG 3.35Å; T536-E540 PolarHBondContact O-N 2.95Å; I537-E540 PolarHBondContact O-N 3.08Å; A538-E540 PolarHBondContact O-N 3.41Å; E540-K543 PolarHBondContact O-N 3.35Å; E540-K543 IonicContact OE1-NZ 2.57Å; E540-K543 PolarHBondContact OE1-NZ 3.43Å; E540-K543 WeakPolarHBondContact OE2-CD 3.37Å; E540-K543 IonicContact OE2-NZ 2.92Å; E540-K543 PolarHBondContact OE2-NZ 2.87Å; E540-V544 WeakPolarHBondContact O-CB 3.09Å; E540-V544 VanDerWaalsContact O-CG2 3.28Å; E540-V544 WeakPolarHBondContact O-CG2 3.29Å; E540-V544 PolarHBondContact O-N 3.27Å
541	V	68.6	Low	60.1	Low	77 Å²	77	91.4 Å²	91.4	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-44.9	170.3	167.7	0	0	0	0	111.1	I537 A538 K543 V544 N545	I537-V541 HydrophobicContact CG2-CG2 4.45Å; I537-V541 WeakPolarHBondContact O-CB 3.33Å; I537-V541 VanDerWaalsContact O-CG2 3.3Å; I537-V541 WeakPolarHBondContact O-CG2 3.29Å; I537-V541 PolarHBondContact O-N 3.41Å; A538-V541 PolarHBondContact O-N 2.88Å; V541-K543 PolarHBondContact O-N 2.92Å; V541-V544 PolarHBondContact O-N 3.01Å; V541-N545 WeakPolarHBondContact O-CB 3.49Å; V541-N545 VanDerWaalsContact O-CG 3.26Å; V541-N545 PolarHBondContact O-N 3.47Å; V541-N545 PolarHBondContact O-ND2 2.86Å
542	D	63.9	Low	61.6	Low	106 Å²	106	90.7 Å²	90.7	57%	0.567	49%	0.492	S	S	*	.	H	α-helix	trans	-64.4	-39.5	176.6	-75.5	-23.6	0	0	0	112.3	A538 N545 Q546	A538-D542 PolarHBondContact O-N 3.38Å; D542-N545 PolarHBondContact O-N 2.94Å; D542-Q546 WeakPolarHBondContact O-CB 3.45Å; D542-Q546 PolarHBondContact O-N 3.42Å
543	K	63.9	Low	62.5	Low	100 Å²	100	91.3 Å²	91.3	44%	0.435	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-44.4	171	-77.9	163	163.8	179.8	0	112.4	K539 E540 V541 N545 Q546 I547	K539-K543 WeakPolarHBondContact O-CB 3.49Å; K539-K543 WeakPolarHBondContact O-CG 3.22Å; K539-K543 PolarHBondContact O-N 2.85Å; E540-K543 PolarHBondContact O-N 3.35Å; E540-K543 IonicContact OE1-NZ 2.57Å; E540-K543 PolarHBondContact OE1-NZ 3.43Å; E540-K543 WeakPolarHBondContact OE2-CD 3.37Å; E540-K543 IonicContact OE2-NZ 2.92Å; E540-K543 PolarHBondContact OE2-NZ 2.87Å; V541-K543 PolarHBondContact O-N 2.92Å; K543-N545 VanDerWaalsContact C-N 3.35Å; K543-Q546 PolarHBondContact O-N 2.86Å; K543-I547 VanDerWaalsContact O-CG1 3.29Å; K543-I547 WeakPolarHBondContact O-CG1 3.46Å; K543-I547 PolarHBondContact O-N 3.31Å
544	V	68.3	Low	63.4	Low	79 Å²	79	88.5 Å²	88.5	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-63.2	-43.3	177.9	166.1	0	0	0	0	110.4	E540 V541 Q546 I547 I548	E540-V544 WeakPolarHBondContact O-CB 3.09Å; E540-V544 VanDerWaalsContact O-CG2 3.28Å; E540-V544 WeakPolarHBondContact O-CG2 3.29Å; E540-V544 PolarHBondContact O-N 3.27Å; V541-V544 PolarHBondContact O-N 3.01Å; V544-Q546 VanDerWaalsContact C-N 3.33Å; V544-Q546 PolarHBondContact O-N 2.91Å; V544-I547 PolarHBondContact O-N 3.43Å; V544-I548 HydrophobicContact CG1-CD1 3.79Å; V544-I548 WeakPolarHBondContact O-CB 3.33Å; V544-I548 VanDerWaalsContact O-CG1 3.26Å; V544-I548 WeakPolarHBondContact O-CG1 3.43Å; V544-I548 PolarHBondContact O-N 2.97Å
545	N	60.4	Low	63.6	Low	75 Å²	75	88.3 Å²	88.3	40%	0.401	48%	0.482	S	S	.	.	H	α-helix	trans	-60.5	-40.9	172.6	-69.3	-30	0	0	0	111.8	V541 D542 K543 I548 N549	V541-N545 WeakPolarHBondContact O-CB 3.49Å; V541-N545 VanDerWaalsContact O-CG 3.26Å; V541-N545 PolarHBondContact O-N 3.47Å; V541-N545 PolarHBondContact O-ND2 2.86Å; D542-N545 PolarHBondContact O-N 2.94Å; K543-N545 VanDerWaalsContact C-N 3.35Å; N545-I548 PolarHBondContact O-N 3.41Å; N545-N549 WeakPolarHBondContact O-CB 3.07Å; N545-N549 PolarHBondContact O-N 3.48Å; N545-N549 PolarHBondContact O-ND2 3.21Å
546	Q	67.8	Low	63.9	Low	120 Å²	120	90.6 Å²	90.6	56%	0.561	48%	0.483	S	S	*	.	H	α-helix	trans	-66.9	-39.2	176.8	-169	173.9	24.5	0	0	112.5	D542 K543 V544 N549 N550	D542-Q546 WeakPolarHBondContact O-CB 3.45Å; D542-Q546 PolarHBondContact O-N 3.42Å; K543-Q546 PolarHBondContact O-N 2.86Å; V544-Q546 VanDerWaalsContact C-N 3.33Å; V544-Q546 PolarHBondContact O-N 2.91Å; Q546-N549 PolarHBondContact O-N 2.98Å; Q546-N550 WeakPolarHBondContact O-CB 3.34Å; Q546-N550 PolarHBondContact O-N 3.46Å; Q546-N550 PolarHBondContact O-OD1 3.38Å
547	I	71.4	Confident	64.1	Low	104 Å²	104	92.9 Å²	92.9	53%	0.533	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-44.9	174	-69.2	163	0	0	0	110.3	K543 V544 N549 N550 C551	K543-I547 VanDerWaalsContact O-CG1 3.29Å; K543-I547 WeakPolarHBondContact O-CG1 3.46Å; K543-I547 PolarHBondContact O-N 3.31Å; V544-I547 PolarHBondContact O-N 3.43Å; I547-N549 PolarHBondContact O-N 2.86Å; I547-N550 PolarHBondContact O-N 2.95Å; I547-C551 WeakPolarHBondContact O-CB 3.43Å; I547-C551 PolarHBondContact O-N 2.81Å; I547-C551 PolarHBondContact O-SG 3.15Å; I547-C551 VanDerWaalsContact O-SG 3.38Å
548	I	70.9	Confident	63.7	Low	83 Å²	83	93.2 Å²	93.2	43%	0.426	49%	0.494	S	S	.	.	H	α-helix	trans	-58.7	-47	176.1	-71.6	165	0	0	0	110.6	V544 N545 C551 I552	V544-I548 HydrophobicContact CG1-CD1 3.79Å; V544-I548 WeakPolarHBondContact O-CB 3.33Å; V544-I548 VanDerWaalsContact O-CG1 3.26Å; V544-I548 WeakPolarHBondContact O-CG1 3.43Å; V544-I548 PolarHBondContact O-N 2.97Å; N545-I548 PolarHBondContact O-N 3.41Å; I548-C551 PolarHBondContact O-N 2.61Å; I548-I552 HydrophobicContact CG2-CD1 3.74Å; I548-I552 HydrophobicContact CG2-CG1 4.5Å; I548-I552 WeakPolarHBondContact O-CB 3.07Å; I548-I552 VanDerWaalsContact O-CG1 3.28Å; I548-I552 WeakPolarHBondContact O-CG1 3.33Å; I548-I552 PolarHBondContact O-N 3.15Å
549	N	70.4	Confident	63.4	Low	89 Å²	89	94.5 Å²	94.5	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-44.5	177.7	-69.5	-24.1	0	0	0	112	N545 Q546 I547 C551 I552 D553	N545-N549 WeakPolarHBondContact O-CB 3.07Å; N545-N549 PolarHBondContact O-N 3.48Å; N545-N549 PolarHBondContact O-ND2 3.21Å; Q546-N549 PolarHBondContact O-N 2.98Å; I547-N549 PolarHBondContact O-N 2.86Å; N549-C551 VanDerWaalsContact C-N 3.32Å; N549-C551 PolarHBondContact O-N 3.21Å; N549-I552 PolarHBondContact O-N 3.27Å; N549-D553 PolarHBondContact O-N 2.87Å
550	N	70.3	Confident	63.1	Low	100 Å²	100	91.3 Å²	91.3	54%	0.535	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-38.3	175.6	-71.8	-5.7	0	0	0	112.2	Q546 I547 D553 A554	Q546-N550 WeakPolarHBondContact O-CB 3.34Å; Q546-N550 PolarHBondContact O-N 3.46Å; Q546-N550 PolarHBondContact O-OD1 3.38Å; I547-N550 PolarHBondContact O-N 2.95Å; N550-D553 PolarHBondContact O-N 2.9Å; N550-A554 WeakPolarHBondContact O-CB 3.46Å; N550-A554 PolarHBondContact O-N 2.92Å
551	C	66.9	Low	62.1	Low	69 Å²	69	90.5 Å²	90.5	47%	0.466	50%	0.504	S	S	.	.	H	α-helix	trans	-68.7	-38.9	174.2	-73.3	0	0	0	0	112.3	I547 I548 N549 D553 A554 L555	I547-C551 WeakPolarHBondContact O-CB 3.43Å; I547-C551 PolarHBondContact O-N 2.81Å; I547-C551 PolarHBondContact O-SG 3.15Å; I547-C551 VanDerWaalsContact O-SG 3.38Å; I548-C551 PolarHBondContact O-N 2.61Å; N549-C551 VanDerWaalsContact C-N 3.32Å; N549-C551 PolarHBondContact O-N 3.21Å; C551-D553 VanDerWaalsContact C-N 3.35Å; C551-A554 PolarHBondContact O-N 3.43Å; C551-L555 WeakPolarHBondContact O-CB 3.23Å; C551-L555 VanDerWaalsContact O-CG 3.26Å; C551-L555 WeakPolarHBondContact O-CG 3.41Å; C551-L555 PolarHBondContact O-N 3.37Å
552	I	75.1	Confident	60.7	Low	75 Å²	75	95.4 Å²	95.4	39%	0.385	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-43	174	-74.2	166.4	0	0	0	110.6	I548 N549 L555 K556	I548-I552 HydrophobicContact CG2-CD1 3.74Å; I548-I552 HydrophobicContact CG2-CG1 4.5Å; I548-I552 WeakPolarHBondContact O-CB 3.07Å; I548-I552 VanDerWaalsContact O-CG1 3.28Å; I548-I552 WeakPolarHBondContact O-CG1 3.33Å; I548-I552 PolarHBondContact O-N 3.15Å; N549-I552 PolarHBondContact O-N 3.27Å; I552-L555 PolarHBondContact O-N 3.11Å; I552-K556 HydrophobicContact CG2-CD 4.49Å; I552-K556 VanDerWaalsContact CG2-CE 3.49Å; I552-K556 WeakPolarHBondContact O-CG 3.4Å; I552-K556 PolarHBondContact O-N 3.29Å
553	D	66.8	Low	59.6	Low	76 Å²	76	98.2 Å²	98.2	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-75.2	-31.3	-179.8	-69.2	-22.5	0	0	0	112.5	N549 N550 C551 K556 L557	N549-D553 PolarHBondContact O-N 2.87Å; N550-D553 PolarHBondContact O-N 2.9Å; C551-D553 VanDerWaalsContact C-N 3.35Å; D553-K556 PolarHBondContact O-N 2.83Å; D553-K556 IonicContact OD1-NZ 2.65Å; D553-K556 PolarHBondContact OD1-NZ 2.9Å; D553-L557 WeakPolarHBondContact O-CG 3.43Å; D553-L557 PolarHBondContact O-N 2.96Å
554	A	63.6	Low	58.1	Low	50 Å²	50	96.9 Å²	96.9	41%	0.413	55%	0.548	S	S	.	.	H	α-helix	trans	-62.4	-45	167.2	0	0	0	0	0	112	N550 C551 K556 L557 D558	N550-A554 WeakPolarHBondContact O-CB 3.46Å; N550-A554 PolarHBondContact O-N 2.92Å; C551-A554 PolarHBondContact O-N 3.43Å; A554-K556 VanDerWaalsContact C-N 3.3Å; A554-K556 PolarHBondContact O-N 3.27Å; A554-L557 WeakPolarHBondContact O-CB 3.39Å; A554-L557 PolarHBondContact O-N 2.86Å; A554-D558 PolarHBondContact O-N 3.35Å
555	L	57	Low	56.2	Low	118 Å²	118	97.3 Å²	97.3	62%	0.618	57%	0.569	S	S	*	*	H	α-helix	trans	-65.3	-30.7	176.3	-72.6	167.1	0	0	0	112.7	C551 I552 S559	C551-L555 WeakPolarHBondContact O-CB 3.23Å; C551-L555 VanDerWaalsContact O-CG 3.26Å; C551-L555 WeakPolarHBondContact O-CG 3.41Å; C551-L555 PolarHBondContact O-N 3.37Å; I552-L555 PolarHBondContact O-N 3.11Å; L555-S559 WeakPolarHBondContact O-CB 3.41Å; L555-S559 PolarHBondContact O-N 2.8Å; L555-S559 PolarHBondContact O-OG 3.06Å
556	K	56.8	Low	54.8	Low	118 Å²	118	97 Å²	97	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-67.8	-35.4	169.8	-72	171.3	-162.5	157.1	0	112.5	I552 D553 A554 S559 A560	I552-K556 HydrophobicContact CG2-CD 4.49Å; I552-K556 VanDerWaalsContact CG2-CE 3.49Å; I552-K556 WeakPolarHBondContact O-CG 3.4Å; I552-K556 PolarHBondContact O-N 3.29Å; D553-K556 PolarHBondContact O-N 2.83Å; D553-K556 IonicContact OD1-NZ 2.65Å; D553-K556 PolarHBondContact OD1-NZ 2.9Å; A554-K556 VanDerWaalsContact C-N 3.3Å; A554-K556 PolarHBondContact O-N 3.27Å; K556-S559 WeakPolarHBondContact CA-OG 3.47Å; K556-S559 PolarHBondContact O-OG 3.19Å; K556-A560 VanDerWaalsContact O-CB 3.23Å; K556-A560 WeakPolarHBondContact O-CB 3.14Å; K556-A560 PolarHBondContact O-N 3.48Å
557	L	58.3	Low	53.1	Low	125 Å²	125	97.7 Å²	97.7	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-70.7	-40.4	176.8	-71	164.4	0	0	0	111.5	D553 A554 A560 S561	D553-L557 WeakPolarHBondContact O-CG 3.43Å; D553-L557 PolarHBondContact O-N 2.96Å; A554-L557 WeakPolarHBondContact O-CB 3.39Å; A554-L557 PolarHBondContact O-N 2.86Å; L557-A560 PolarHBondContact O-N 2.96Å; L557-S561 PolarHBondContact O-N 3.28Å; L557-S561 VanDerWaalsContact O-N 3.07Å
558	D	47	Very low	51.1	Low	114 Å²	114	96.7 Å²	96.7	61%	0.61	62%	0.617	S	S	*	*	H	α-helix	trans	-72.1	-25.7	175	-87.3	-17.7	0	0	0	113.9	A554 S561	A554-D558 PolarHBondContact O-N 3.35Å; D558-S561 PolarHBondContact O-OG 2.99Å
559	S	47.6	Very low	49.2	Very low	75 Å²	75	99 Å²	99	52%	0.524	64%	0.64	S	S	.	*	H	α-helix	trans	-83.4	-24.8	171	47.5	0	0	0	0	113	L555 K556	L555-S559 WeakPolarHBondContact O-CB 3.41Å; L555-S559 PolarHBondContact O-N 2.8Å; L555-S559 PolarHBondContact O-OG 3.06Å; K556-S559 WeakPolarHBondContact CA-OG 3.47Å; K556-S559 PolarHBondContact O-OG 3.19Å
560	A	46.7	Very low	47.1	Very low	72 Å²	72	98.5 Å²	98.5	60%	0.595	66%	0.656	S	S	*	*	H	α-helix	trans	-74.7	-27.1	171	0	0	0	0	0	113.3	K556 L557 F562	K556-A560 VanDerWaalsContact O-CB 3.23Å; K556-A560 WeakPolarHBondContact O-CB 3.14Å; K556-A560 PolarHBondContact O-N 3.48Å; L557-A560 PolarHBondContact O-N 2.96Å; A560-F562 VanDerWaalsContact C-N 3.34Å
561	S	42.3	Very low	45.1	Very low	75 Å²	75	101.3 Å²	101.3	52%	0.524	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-19	179.6	66.1	0	0	0	0	114	L557 D558	L557-S561 PolarHBondContact O-N 3.28Å; L557-S561 VanDerWaalsContact O-N 3.07Å; D558-S561 PolarHBondContact O-OG 2.99Å
562	F	40	Very low	44.1	Very low	180 Å²	180	102.9 Å²	102.9	79%	0.789	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-2.6	-176.8	-103.1	-87.4	0	0	0	115.9	A560	A560-F562 VanDerWaalsContact C-N 3.34Å
563	L	40.3	Very low	41.9	Very low	166 Å²	166	107.3 Å²	107.3	87%	0.869	70%	0.7	S	S	*	*	S	Bend	trans	-127.7	44.9	-179.3	-71.6	176.8	0	0	0	113.5
564	G	31.6	Very low	40	Very low	71 Å²	71	110.5 Å²	110.5	73%	0.732	72%	0.716	S	S	*	*			trans	-170.7	99.8	170.6	0	0	0	0	0	115.4
565	G	30.1	Very low	38.3	Very low	89 Å²	89	111.6 Å²	111.6	92%	0.918	73%	0.725	S	S	*	*			trans	157	103.3	168	0	0	0	0	0	114.6
566	G	30.9	Very low	36.8	Very low	69 Å²	69	114.2 Å²	114.2	71%	0.711	73%	0.732	S	S	*	*			trans	-115.5	126.7	170.2	0	0	0	0	0	111.6
567	S	31.5	Very low	35.4	Very low	133 Å²	133	116.4 Å²	116.4	93%	0.93	74%	0.744	S	S	*	*			trans	45.1	103.2	163.6	61	0	0	0	0	118.7
568	G	28.3	Very low	33.8	Very low	84 Å²	84	115.2 Å²	115.2	87%	0.866	75%	0.745	S	S	*	*			trans	-158.1	115.5	161	0	0	0	0	0	110.7
569	S	32.1	Very low	32.8	Very low	130 Å²	130	118 Å²	118	91%	0.909	75%	0.754	S	S	*	*			trans	-96.1	131.1	-176.5	54.6	0	0	0	0	112.1
570	G	26.2	Very low	31.8	Very low	79 Å²	79	119.7 Å²	119.7	81%	0.814	77%	0.766	S	S	*	*			trans	-179.2	80.7	177.5	0	0	0	0	0	114.6
571	D	29	Very low	30.9	Very low	160 Å²	160	123.9 Å²	123.9	86%	0.856	78%	0.778	S	S	*	*			trans	-62.7	163.5	155.4	-86	-50.1	0	0	0	110.6
572	P	45.1	Very low	30.8	Very low	101 Å²	101	125.8 Å²	125.8	66%	0.656	79%	0.788	S	S	*	*			cis	-149.3	-177.9	34.8	44.8	-25.1	0	0	0	119.1
573	E	28.6	Very low	30.2	Very low	168 Å²	168	121.8 Å²	121.8	79%	0.785	79%	0.788	S	S	*	*			trans	65.9	135.2	148.6	-82.5	179.2	139.3	0	0	119.2
574	L	28.2	Very low	29.7	Very low	143 Å²	143	118.2 Å²	118.2	75%	0.749	78%	0.783	S	S	*	*			cis	-142.4	167	6.5	-77.3	109.6	0	0	0	108.2
575	A	26.6	Very low	29.6	Very low	73 Å²	73	119.8 Å²	119.8	60%	0.603	79%	0.789	S	S	*	*			cis	-171.1	-168.4	-16.8	0	0	0	0	0	105.6
576	F	26.7	Very low	29.5	Very low	173 Å²	173	120.2 Å²	120.2	76%	0.759	78%	0.784	S	S	*	*			cis	-148.8	151.5	15.3	-95.6	-78.5	0	0	0	112.2
577	E	27.4	Very low	29.4	Very low	165 Å²	165	121.1 Å²	121.1	77%	0.771	78%	0.784	S	S	*	*			trans	7	153.3	138.9	-65.5	-163.2	113.1	0	0	124
578	C	23.3	Very low	29.3	Very low	99 Å²	99	120.6 Å²	120.6	67%	0.669	78%	0.781	S	S	*	*			cis	-173.9	176.9	-19.5	-160.6	0	0	0	0	111.6
579	Q	26.8	Very low	29.4	Very low	173 Å²	173	122.2 Å²	122.2	81%	0.808	78%	0.779	S	S	*	*			trans	75.1	147.7	161.4	-62.3	-177.1	23.5	0	0	118.5
580	S	26.6	Very low	29.3	Very low	110 Å²	110	120.5 Å²	120.5	77%	0.769	77%	0.772	S	S	*	*			cis	-164.5	171.7	-11.4	48.1	0	0	0	0	113.1
581	L	26.6	Very low	29.5	Very low	161 Å²	161	123.8 Å²	123.8	84%	0.843	78%	0.777	S	S	*	*			trans	-98.2	161.6	169.1	-94.7	169.2	0	0	0	110.8
582	P	40.7	Very low	29.4	Very low	115 Å²	115	121 Å²	121	75%	0.747	78%	0.776	S	S	*	*				-161.5	177.7	66.9	44.7	-22.8	0	0	0	120.1
583	A	28.7	Very low	29.4	Very low	95 Å²	95	122.7 Å²	122.7	79%	0.785	79%	0.787	S	S	*	*			trans	46.9	157.6	138.9	0	0	0	0	0	123.9
584	A	29.1	Very low	29.4	Very low	92 Å²	92	118.6 Å²	118.6	76%	0.76	79%	0.79	S	S	*	*			cis	-175	166.6	-23.3	0	0	0	0	0	110.8
585	A	29.1	Very low	29.6	Very low	104 Å²	104	116.6 Å²	116.6	86%	0.86	79%	0.794	S	S	*	*			trans	66	158.3	168.7	0	0	0	0	0	116.6
586	A	28.8	Very low	29.8	Very low	98 Å²	98	120.8 Å²	120.8	81%	0.81	81%	0.805	S	S	*	*			cis	-168.2	169.5	-8.1	0	0	0	0	0	108.2
587	A	28.5	Very low	29.8	Very low	87 Å²	87	121.1 Å²	121.1	72%	0.719	81%	0.809	S	S	*	*			cis	-173	-177.6	-22.3	0	0	0	0	0	109.3
588	S	29.6	Very low	29.8	Very low	123 Å²	123	124.5 Å²	124.5	86%	0.86	82%	0.815	S	S	*	*			trans	74.4	149.3	175.3	85.9	0	0	0	0	116.5
589	S	29.4	Very low	30.8	Very low	117 Å²	117	124.5 Å²	124.5	82%	0.818	81%	0.814	S	S	*	*			cis	-145.1	171.8	-3	58.9	0	0	0	0	110.9
590	A	30.6	Very low	30.8	Very low	94 Å²	94	121.1 Å²	121.1	78%	0.777	81%	0.809	S	S	*	*			trans	-147	153.9	-177.5	0	0	0	0	0	112.6
591	T	29.7	Very low	30.9	Very low	149 Å²	149	125.6 Å²	125.6	91%	0.914	82%	0.815	S	S	*	*			trans	-158.8	112.9	165.6	10.3	0	0	0	0	113.6
592	A	28.5	Very low	30.9	Very low	100 Å²	100	125.4 Å²	125.4	83%	0.826	81%	0.814	S	S	*	*			trans	-158.4	122.4	154.4	0	0	0	0	0	108.2
593	P	44.4	Very low	30.2	Very low	138 Å²	138	125.2 Å²	125.2	90%	0.896	82%	0.815	S	S	*	*			trans	-102.5	156.7	-172.2	37.5	-34.1	0	0	0	114.1
594	G	29.1	Very low	31.4	Very low	82 Å²	82	126.3 Å²	126.3	85%	0.845	81%	0.814	S	S	*	*			trans	147.3	82.7	163.8	0	0	0	0	0	115.5
595	A	30.9	Very low	32.3	Very low	100 Å²	100	126.2 Å²	126.2	83%	0.826	81%	0.806	S	S	*	*			trans	-155.8	132.2	170.8	0	0	0	0	0	112.3
596	L	30.7	Very low	32.2	Very low	162 Å²	162	131 Å²	131	85%	0.848	80%	0.804	S	S	*	*			trans	-169.8	134.6	177.5	-93.2	159.2	0	0	0	104.4
597	E	26.6	Very low	32.1	Very low	179 Å²	179	133.5 Å²	133.5	84%	0.836	80%	0.796	S	S	*	*			cis	-138.1	-164.3	8.2	-84.3	-170.6	141.8	0	0	113.5
598	R	27.6	Very low	32	Very low	236 Å²	236	136.3 Å²	136.3	89%	0.891	79%	0.794	S	S	*	*			trans	-152.4	-177.3	-168.4	-119.4	-175.2	175.7	171	-1.4	107.5
599	P	45.2	Very low	31.8	Very low	100 Å²	100	135.6 Å²	135.6	65%	0.649	79%	0.789	S	S	*	*			cis	-138.9	-173	-24	41.3	-23.8	0	0	0	114.4
600	S	27.3	Very low	31.8	Very low	102 Å²	102	134 Å²	134	71%	0.713	78%	0.778	S	S	*	*			trans	65.4	131.6	144.4	-60.9	0	0	0	0	123.3
601	F	27.7	Very low	31.7	Very low	203 Å²	203	138.4 Å²	138.4	89%	0.89	78%	0.782	S	S	*	*				-160.5	-174	117.4	-115.2	-74.9	0	0	0	111.6
602	L	28	Very low	31.7	Very low	158 Å²	158	140.2 Å²	140.2	83%	0.827	78%	0.78	S	S	*	*			trans	-117.3	164.9	-155.5	-69.6	162.1	0	0	0	115.8
603	S	23.9	Very low	32.2	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	78%	0.775	S	S	*	*			trans	-75.1	-168.3	178.6	-20.2	0	0	0	0	114.2
604	P	54.8	Low	31.4	Very low	118 Å²	118	141.8 Å²	141.8	77%	0.766	77%	0.772	S	S	*	*			cis	-124.6	-122.8	-15.4	36	-13.9	0	0	0	109.7
605	P	48.9	Very low	31.3	Very low	91 Å²	91	145.2 Å²	145.2	59%	0.591	77%	0.766	S	S	*	*			cis	-128.2	173.8	-44.7	36.6	-20	0	0	0	115.6
606	Y	25.8	Very low	31.2	Very low	205 Å²	205	150.6 Å²	150.6	80%	0.804	77%	0.765	S	S	*	*			trans	63.9	152.4	164.1	-68.4	-58.3	0	0	0	117
607	K	27.3	Very low	31.1	Very low	149 Å²	149	150.5 Å²	150.5	65%	0.648	76%	0.76	S	S	*	*			cis	-158.9	157.3	-1.9	-114.6	-177.1	-173.8	-67.8	0	105.5
608	E	25.7	Very low	31.2	Very low	147 Å²	147	148.5 Å²	148.5	69%	0.687	75%	0.754	S	S	*	*			cis	-158.5	-174.9	-12.2	-148.5	134.2	-115.1	0	0	104.9
609	S	26.3	Very low	31.2	Very low	107 Å²	107	142.1 Å²	142.1	75%	0.748	75%	0.746	S	S	*	*			cis	-154.3	177	10.5	69.1	0	0	0	0	113.1
610	S	29.2	Very low	30.5	Very low	84 Å²	84	141.6 Å²	141.6	59%	0.587	75%	0.75	S	S	*	*			trans	-67.4	169.5	169.6	-47.1	0	0	0	0	113.7
611	H	28.6	Very low	30.6	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.866	76%	0.757	S	S	*	*			cis	-146.1	164.8	29.5	-81.2	-87.4	0	0	0	116.2
612	H	30	Very low	30.6	Very low	186 Å²	186	139.2 Å²	139.2	86%	0.861	75%	0.752	S	S	*	*			trans	-86.4	165.1	174.5	-93.3	-94.5	0	0	0	114.6
613	P	37.4	Very low	30.6	Very low	110 Å²	110	136.2 Å²	136.2	71%	0.714	75%	0.75	S	S	*	*			trans	-94.3	140.6	176.8	36.4	-33.5	0	0	0	114.8
614	L	27.6	Very low	30.7	Very low	161 Å²	161	137.9 Å²	137.9	84%	0.843	76%	0.755	S	S	*	*			trans	-159.2	159.9	169.1	-72	-178.3	0	0	0	108.4
615	Q	27.3	Very low	29.4	Very low	155 Å²	155	137.5 Å²	137.5	72%	0.724	75%	0.751	S	S	*	*			cis	-173.5	164.8	-27.1	-170.1	-178.2	13.1	0	0	108
616	R	28.4	Very low	28.5	Very low	212 Å²	212	143.6 Å²	143.6	80%	0.8	76%	0.762	S	S	*	*			trans	97.6	150.8	141.7	-144.8	-174.4	-124	-167.5	-0	119.1
617	Q	29	Very low	28.5	Very low	161 Å²	161	142.2 Å²	142.2	75%	0.752	76%	0.76	S	S	*	*			trans	76.6	149.4	165.6	-56.7	-165.3	-35.5	0	0	118.8
618	L	29.3	Very low	28.5	Very low	136 Å²	136	141.1 Å²	141.1	71%	0.712	77%	0.766	S	S	*	*			cis	-161.7	152	-26.6	-108.7	171.7	0	0	0	109.6
619	S	28.5	Very low	28.4	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	78%	0.776	S	S	*	*			trans	36.9	125.8	146.9	-61.6	0	0	0	0	124.8
620	A	30	Very low	28.5	Very low	88 Å²	88	140.4 Å²	140.4	73%	0.727	78%	0.776	S	S	*	*				88.5	124.9	119.2	0	0	0	0	0	123.7
621	D	28.2	Very low	28.6	Very low	161 Å²	161	142.7 Å²	142.7	86%	0.861	79%	0.786	S	S	*	*				95.5	151.6	123.3	-97.6	-44	0	0	0	125.8
622	A	28.4	Very low	28.6	Very low	94 Å²	94	138.3 Å²	138.3	78%	0.777	78%	0.776	S	S	*	*			trans	71.6	118	157.4	0	0	0	0	0	121.1
623	A	27.2	Very low	28.8	Very low	95 Å²	95	134.8 Å²	134.8	79%	0.785	77%	0.773	S	S	*	*			trans	-80.6	170.6	168	0	0	0	0	0	113.4
624	V	26.9	Very low	28.5	Very low	145 Å²	145	135.7 Å²	135.7	88%	0.879	78%	0.781	S	S	*	*			trans	-155.4	158.6	140.7	126.8	0	0	0	0	110.9
625	T	27	Very low	28.5	Very low	110 Å²	110	131.5 Å²	131.5	68%	0.675	78%	0.777	S	S	*	*			trans	-114.4	149.2	-175.8	55.2	0	0	0	0	112.2
626	R	30.2	Very low	28.7	Very low	220 Å²	220	129.6 Å²	129.6	83%	0.83	78%	0.781	S	S	*	*				159.5	148.9	121.7	-89.7	165.1	177	169.1	0.9	116.9
627	K	25.7	Very low	29	Very low	176 Å²	176	127.9 Å²	127.9	77%	0.765	79%	0.786	S	S	*	*			trans	64.4	95.4	143.2	-72.7	-178.7	174.4	-170.7	0	121.4
628	T	28.2	Very low	29.2	Very low	126 Å²	126	128.9 Å²	128.9	77%	0.773	79%	0.788	S	S	*	*				22.8	133.6	110.2	59.9	0	0	0	0	120.7
629	C	23.5	Very low	29.3	Very low	132 Å²	132	127.6 Å²	127.6	89%	0.892	79%	0.79	S	S	*	*				-152.8	154.6	120.2	-100.5	0	0	0	0	112.6
630	S	28.4	Very low	29.4	Very low	107 Å²	107	127 Å²	127	75%	0.748	79%	0.792	S	S	*	*			trans	-91.7	-175.7	169.2	44	0	0	0	0	110
631	V	31.6	Very low	29.5	Very low	132 Å²	132	132.1 Å²	132.1	80%	0.8	80%	0.797	S	S	*	*			cis	-136.7	-156.8	14.1	-135.4	0	0	0	0	108.4
632	S	28.5	Very low	29.4	Very low	95 Å²	95	129.7 Å²	129.7	66%	0.664	79%	0.788	S	S	*	*			cis	-153.7	157.4	17.8	-43.8	0	0	0	0	112.3
633	S	33.5	Very low	29.4	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	79%	0.792	S	S	*	*			trans	26.2	152.1	134.7	65.4	0	0	0	0	123.5
634	S	30.9	Very low	29.4	Very low	128 Å²	128	134.3 Å²	134.3	90%	0.895	79%	0.785	S	S	*	*			cis	-176.7	155.1	-13.8	-179.8	0	0	0	0	108.5
635	G	27.4	Very low	29.6	Very low	74 Å²	74	134.2 Å²	134.2	76%	0.763	78%	0.778	S	S	*	*			trans	170.7	117.5	170.2	0	0	0	0	0	114.5
636	S	32.6	Very low	29.6	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	79%	0.787	S	S	*	*			trans	-156.2	137	175.5	176.3	0	0	0	0	110.4
637	I	33.6	Very low	29.8	Very low	175 Å²	175	132.3 Å²	132.3	90%	0.897	79%	0.785	S	S	*	*			trans	-166.8	170.1	163	-105.9	152.2	0	0	0	109.6
638	K	32.8	Very low	30.6	Very low	183 Å²	183	129.1 Å²	129.1	80%	0.796	78%	0.783	S	S	*	*			trans	-115.3	165.8	-157.3	-56.1	173	-178.5	174	0	114.7
639	S	31.7	Very low	30.5	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	79%	0.786	S	S	*	*			trans	71.4	110.3	136.7	61.1	0	0	0	0	123
640	A	31.5	Very low	30.9	Very low	91 Å²	91	133.2 Å²	133.2	75%	0.752	78%	0.784	S	S	*	*				81.8	131.5	110.6	0	0	0	0	0	123.9
641	K	30.9	Very low	31.5	Very low	196 Å²	196	134 Å²	134	85%	0.852	79%	0.787	S	S	*	*			trans	85.8	131.3	136.1	-87.7	-172.2	174.7	-176.5	0	122.7
642	V	27.1	Very low	31.4	Very low	110 Å²	110	132.1 Å²	132.1	67%	0.667	79%	0.786	S	S	*	*				87.2	115.7	129.8	163.1	0	0	0	0	120.7
643	F	28.2	Very low	31.4	Very low	194 Å²	194	131.7 Å²	131.7	85%	0.851	79%	0.788	S	S	*	*			trans	56	155	143	-76.8	-112.4	0	0	0	119.4
644	S	27.6	Very low	31.3	Very low	91 Å²	91	133.6 Å²	133.6	64%	0.636	80%	0.795	S	S	*	*			cis	-152.8	-173	-8	-150.5	0	0	0	0	110.8
645	L	31.4	Very low	31.1	Very low	143 Å²	143	130.7 Å²	130.7	75%	0.749	79%	0.785	S	S	*	*			trans	-32	144.8	159.8	-72.3	139.4	0	0	0	116.3
646	D	27.3	Very low	31.3	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	79%	0.79	S	S	*	*				-163.5	156.1	108.3	-98.7	-23.2	0	0	0	112.5
647	V	33.4	Very low	31.2	Very low	132 Å²	132	133.9 Å²	133.9	80%	0.8	79%	0.787	S	S	*	*			trans	-147.2	131.3	178.1	171.8	0	0	0	0	108.8
648	P	42.3	Very low	31.1	Very low	109 Å²	109	135.7 Å²	135.7	71%	0.708	79%	0.789	S	S	*	*			trans	-145.1	140.8	130.9	29.5	-10.7	0	0	0	116.7
649	D	27.1	Very low	31	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	78%	0.783	S	S	*	*			trans	71.6	149.6	139.1	-58.4	-28.8	0	0	0	124.9
650	H	30.8	Very low	30.8	Very low	185 Å²	185	132 Å²	132	86%	0.856	79%	0.785	S	S	*	*			trans	-92.4	168.7	-177.4	-64.5	-81.6	0	0	0	112.9
651	P	41.9	Very low	30.9	Very low	123 Å²	123	132.9 Å²	132.9	80%	0.799	79%	0.785	S	S	*	*				-146	175.3	95	37.8	-21.2	0	0	0	116.6
652	A	29.3	Very low	31	Very low	94 Å²	94	132.2 Å²	132.2	78%	0.777	78%	0.782	S	S	*	*			trans	0.7	133.6	162.6	0	0	0	0	0	120.4
653	A	28.6	Very low	31.1	Very low	85 Å²	85	136.5 Å²	136.5	70%	0.702	79%	0.788	S	S	*	*			cis	95.8	147.2	44.2	0	0	0	0	0	114.9
654	T	30	Very low	31.2	Very low	152 Å²	152	133.3 Å²	133.3	93%	0.933	78%	0.778	S	S	*	*			trans	69.2	149.8	-167.5	75.5	0	0	0	0	114.3
655	G	28.4	Very low	31.2	Very low	67 Å²	67	135.8 Å²	135.8	69%	0.691	78%	0.78	S	S	*	*			cis	150.3	145.6	-5.5	0	0	0	0	0	110.4
656	L	30	Very low	31.2	Very low	167 Å²	167	137.8 Å²	137.8	87%	0.874	78%	0.783	S	S	*	*			cis	-146.6	139.5	2.4	-109.2	62.9	0	0	0	107
657	A	32.3	Very low	31.1	Very low	90 Å²	90	133.7 Å²	133.7	74%	0.744	78%	0.778	S	S	*	*				78	115	76	0	0	0	0	0	117.8
658	K	30	Very low	31.2	Very low	213 Å²	213	133 Å²	133	93%	0.926	78%	0.779	S	S	*	*			trans	166.3	153	152.5	-97.9	172.6	-179	-176.1	0	108.7
659	G	30.7	Very low	31.5	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	78%	0.781	S	S	*	*			cis	-177.6	167.6	-3.1	0	0	0	0	0	107.1
660	D	28.2	Very low	31.5	Very low	149 Å²	149	132.8 Å²	132.8	80%	0.797	78%	0.777	S	S	*	*			cis	-146.3	153.2	3.1	-63.4	-52.6	0	0	0	108.6
661	S	33.7	Very low	31.4	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	78%	0.776	S	S	*	*				151.2	162	90.8	59.3	0	0	0	0	107.9
662	K	32.3	Very low	30.7	Very low	182 Å²	182	130.6 Å²	130.6	79%	0.791	77%	0.774	S	S	*	*			cis	-156.7	127.3	6.5	-140.6	167.1	-175.6	176.9	0	111.5
663	Y	28.6	Very low	31.7	Very low	199 Å²	199	131 Å²	131	78%	0.78	77%	0.769	S	S	*	*			trans	67.9	120.3	143.1	-88.2	-118.5	0	0	0	124.5
664	I	31.2	Very low	31.8	Very low	128 Å²	128	134.2 Å²	134.2	66%	0.656	77%	0.773	S	S	*	*			trans	60.9	108.1	135.4	-65.3	-173.6	0	0	0	118.1
665	E	28.3	Very low	31.8	Very low	142 Å²	142	133.5 Å²	133.5	66%	0.664	76%	0.763	S	S	*	*				74.6	141.6	67.9	-77.9	-155.6	142.1	0	0	115.1
666	K	30.9	Very low	31.8	Very low	186 Å²	186	142 Å²	142	81%	0.809	78%	0.775	S	S	*	*			cis	-169.5	152.6	-19.3	-125.1	-179.9	-159.9	156.2	0	107.9
667	G	25.5	Very low	31.8	Very low	73 Å²	73	141.9 Å²	141.9	75%	0.753	77%	0.774	S	S	*	*			trans	161.7	128.1	163.2	0	0	0	0	0	117.7
668	S	35.9	Very low	32.5	Very low	118 Å²	118	142.7 Å²	142.7	83%	0.825	77%	0.772	S	S	*	*			trans	-158.9	131.3	163.5	-54.9	0	0	0	0	107.5
669	P	47	Very low	32.5	Very low	115 Å²	115	140.3 Å²	140.3	75%	0.747	77%	0.768	S	S	*	*				-153.1	150.9	128.5	35.3	-17.5	0	0	0	117.2
670	L	29	Very low	32.5	Very low	147 Å²	147	143.1 Å²	143.1	77%	0.77	77%	0.772	S	S	*	*			trans	46	138	139.1	-78.3	80.3	0	0	0	124.2
671	N	28.3	Very low	33.5	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	77%	0.772	S	S	*	*			trans	83	165.9	141.1	-65.7	1.6	0	0	0	121.8
672	S	26.9	Very low	33.6	Very low	108 Å²	108	141.2 Å²	141.2	76%	0.755	77%	0.774	S	S	*	*			trans	-114.9	-169.1	-166.3	60.7	0	0	0	0	111.4
673	P	49.4	Very low	33.7	Very low	103 Å²	103	136.2 Å²	136.2	67%	0.669	77%	0.773	S	S	*	*			cis	-140.8	-178.7	-1	43.9	-25.5	0	0	0	117.6
674	L	30.7	Very low	34.2	Very low	151 Å²	151	132.9 Å²	132.9	79%	0.791	78%	0.779	S	S	*	*			trans	68.4	146.3	147.7	-80.2	166	0	0	0	125.2
675	D	29.6	Very low	34.4	Very low	137 Å²	137	130.5 Å²	130.5	73%	0.733	79%	0.786	S	S	*	*			trans	59.5	113.1	151	-75.5	-3.6	0	0	0	124.5
676	R	29.9	Very low	34.8	Very low	247 Å²	247	127.7 Å²	127.7	93%	0.932	80%	0.795	S	S	*	*				-179.9	152.7	99.5	-97.2	-178.2	-179.4	176	0.7	116.2
677	L	28.8	Very low	35	Very low	163 Å²	163	122.8 Å²	122.8	85%	0.853	80%	0.798	S	S	*	*			trans	-93	-179.7	164.1	-83	170	0	0	0	110.3
678	P	47.9	Very low	35.6	Very low	108 Å²	108	125.7 Å²	125.7	70%	0.701	81%	0.806	S	S	*	*			cis	-130	-169	15.2	27.8	0.1	0	0	0	113.4
679	L	29.7	Very low	35.7	Very low	162 Å²	162	123.8 Å²	123.8	85%	0.848	81%	0.805	S	S	*	*			cis	-159.2	166.2	47.9	-84.5	165.8	0	0	0	114.2
680	V	30.9	Very low	35.2	Very low	124 Å²	124	122.2 Å²	122.2	75%	0.752	81%	0.81	S	S	*	*			trans	-144	137.7	-179.2	168.1	0	0	0	0	109	A682	V680-A682 HydrophobicContact CG1-CB 4.28Å
681	P	48.4	Very low	35.4	Very low	122 Å²	122	119.4 Å²	119.4	79%	0.792	82%	0.817	S	S	*	*				-129.2	149.6	107.7	5	17.5	0	0	0	112.1
682	A	36.3	Very low	35.7	Very low	97 Å²	97	116.3 Å²	116.3	80%	0.802	82%	0.821	S	S	*	*			cis	79	142.3	35.3	0	0	0	0	0	114.3	V680	V680-A682 HydrophobicContact CG1-CB 4.28Å
683	G	34.8	Very low	36	Very low	76 Å²	76	114.7 Å²	114.7	78%	0.784	82%	0.821	S	S	*	*			cis	-140.6	-155.4	-2.2	0	0	0	0	0	110.8
684	S	38.6	Very low	35.5	Very low	129 Å²	129	117 Å²	117	90%	0.902	83%	0.827	S	S	*	*			cis	-169.8	161	2.1	47.3	0	0	0	0	107.8
685	G	36.3	Very low	35.3	Very low	78 Å²	78	118.9 Å²	118.9	80%	0.804	83%	0.831	S	S	*	*			cis	162.5	163.1	4.1	0	0	0	0	0	108.5
686	G	36.7	Very low	35.3	Very low	83 Å²	83	120 Å²	120	86%	0.856	83%	0.832	S	S	*	*			cis	124.5	140	2.8	0	0	0	0	0	111.9
687	G	34.4	Very low	35.2	Very low	84 Å²	84	114.7 Å²	114.7	87%	0.866	82%	0.821	S	S	*	*			cis	-95.9	-125.5	-2	0	0	0	0	0	114.2
688	S	38.4	Very low	35.1	Very low	133 Å²	133	114.7 Å²	114.7	93%	0.93	82%	0.817	S	S	*	*			cis	-161.9	145.5	2.9	-167.4	0	0	0	0	108.7
689	G	36.8	Very low	34	Very low	78 Å²	78	115.4 Å²	115.4	80%	0.804	82%	0.819	S	S	*	*			cis	151.5	155.5	14.6	0	0	0	0	0	106.9
690	G	36.6	Very low	33.6	Very low	82 Å²	82	116.8 Å²	116.8	85%	0.845	82%	0.818	S	S	*	*			cis	-179.3	163.8	-7	0	0	0	0	0	112.8
691	G	33.8	Very low	34.3	Very low	89 Å²	89	116.5 Å²	116.5	92%	0.918	82%	0.819	S	S	*	*			trans	83.2	144.4	174.6	0	0	0	0	0	116.7
692	G	34.4	Very low	33.2	Very low	88 Å²	88	114.9 Å²	114.9	91%	0.907	82%	0.816	S	S	*	*			cis	122.4	131.2	-8.2	0	0	0	0	0	114.4
693	G	34.1	Very low	32.7	Very low	74 Å²	74	119.9 Å²	119.9	76%	0.763	82%	0.815	S	S	*	*			cis	168.6	173.2	-7.9	0	0	0	0	0	114.2
694	I	37.3	Very low	32.3	Very low	153 Å²	153	124 Å²	124	79%	0.785	81%	0.813	S	S	*	*			trans	75	120	165.8	-55	178.7	0	0	0	120
695	H	28.6	Very low	31.6	Very low	189 Å²	189	122.5 Å²	122.5	88%	0.875	80%	0.802	S	S	*	*				-167.1	179.8	115.7	-105.6	-72.7	0	0	0	111.6
696	H	27.8	Very low	31	Very low	162 Å²	162	124.1 Å²	124.1	75%	0.75	80%	0.801	S	S	*	*			trans	-145.1	178.7	-147.2	-155.4	-88.4	0	0	0	113.5
697	L	29.1	Very low	30.5	Very low	135 Å²	135	127.6 Å²	127.6	71%	0.707	80%	0.795	S	S	*	*			trans	80.5	144.4	164.7	-60.7	170	0	0	0	117.3
698	E	25.2	Very low	30.1	Very low	162 Å²	162	130.3 Å²	130.3	76%	0.757	79%	0.785	S	S	*	*			cis	-168.2	177.3	-18	-143.3	-173.4	166.4	0	0	113.2
699	V	25.2	Very low	29.4	Very low	124 Å²	124	133.5 Å²	133.5	75%	0.752	78%	0.777	S	S	*	*			trans	76.8	147.5	153.7	171.6	0	0	0	0	120.6
700	K	22	Very low	28.9	Very low	191 Å²	191	137.8 Å²	137.8	83%	0.83	78%	0.775	S	S	*	*			trans	-115.6	-152.8	-179.4	-59	176.3	176.9	175	0	110
701	P	46	Very low	28.5	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	77%	0.769	S	S	*	*				-112.7	-171.4	-74.6	35.7	-20.1	0	0	0	111.7
702	A	24.8	Very low	28.4	Very low	88 Å²	88	138.9 Å²	138.9	73%	0.727	74%	0.744	S	S	*	*				170.3	128.7	125.8	0	0	0	0	0	115.9
703	Y	26	Very low	28.3	Very low	202 Å²	202	140 Å²	140	79%	0.792	74%	0.736	S	S	*	*			trans	39.6	134	136.6	-74	-87.9	0	0	0	125.4
704	H	26.5	Very low	28.1	Very low	161 Å²	161	140.2 Å²	140.2	75%	0.745	73%	0.731	S	S	*	*			trans	64.5	162.4	138.1	-76.2	-21.6	0	0	0	120.6
705	C	22.6	Very low	27.7	Very low	98 Å²	98	140.5 Å²	140.5	66%	0.662	73%	0.733	S	S	*	*			cis	-174.8	147.6	-42.1	-112.8	0	0	0	0	108.2
706	S	25	Very low	27.6	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	73%	0.728	S	S	*	*			trans	61.7	164.4	164.8	76.1	0	0	0	0	116.6
707	E	25.9	Very low	27.6	Very low	156 Å²	156	141 Å²	141	73%	0.729	72%	0.723	S	S	*	*			cis	-158.4	174.9	-36.2	-111.7	-160.7	97.2	0	0	109.5
708	H	26.3	Very low	27.6	Very low	141 Å²	141	141.5 Å²	141.5	65%	0.653	72%	0.722	S	S	*	*			trans	75.8	122.4	151.8	-73	3.1	0	0	0	122.4
709	R	24	Very low	27.6	Very low	201 Å²	201	142 Å²	142	76%	0.758	72%	0.724	S	S	*	*				97.8	120.6	125.6	-79.8	178.4	167.5	-173.1	-4	123.9
710	H	26.2	Very low	27.6	Very low	167 Å²	167	138.7 Å²	138.7	77%	0.773	72%	0.715	S	S	*	*			trans	80.7	115	133.4	-63.1	-39.4	0	0	0	123.8
711	S	27.4	Very low	29.3	Very low	102 Å²	102	134.1 Å²	134.1	71%	0.713	71%	0.713	S	S	*	*				68.7	155.1	121.7	-51.1	0	0	0	0	122.7
712	F	32.5	Very low	28.7	Very low	92 Å²	92	134.9 Å²	134.9	40%	0.404	71%	0.711	S	S	.	*			trans	-136.1	164.5	179.6	-78.3	-84.4	0	0	0	111.9	R727 V728 S729	F712-R727 VanDerWaalsContact CD1-O 3.27Å; F712-R727 WeakPolarHBondContact CD1-O 3.37Å; F712-R727 HydrophobicContact CE1-CB 3.97Å; F712-R727 WeakPolarHBondContact CE1-O 3.27Å; F712-R727 HydrophobicContact CZ-CB 4.36Å; F712-V728 HydrophobicContact CD1-CB 3.98Å; F712-V728 HydrophobicContact CD1-CG2 4.42Å; F712-V728 HydrophobicContact CD2-CB 3.95Å; F712-V728 HydrophobicContact CD2-CG2 4.48Å; F712-V728 HydrophobicContact CE1-CB 3.86Å; F712-V728 HydrophobicContact CE1-CG2 3.79Å; F712-V728 HydrophobicContact CE2-CB 3.82Å; F712-V728 HydrophobicContact CE2-CG2 3.84Å; F712-V728 HydrophobicContact CG-CB 4.05Å; F712-V728 HydrophobicContact CZ-CB 3.78Å; F712-V728 HydrophobicContact CZ-CG2 3.46Å; F712-V728 VanDerWaalsContact CZ-CG2 3.46Å; F712-S729 CarbonylContact C-O 3.5Å; F712-S729 WeakPolarHBondContact CB-O 3.48Å
713	P	32.5	Very low	28.9	Very low	111 Å²	111	135.8 Å²	135.8	72%	0.721	71%	0.712	S	S	*	*			trans	-138	-176.6	158.9	39.7	-23.6	0	0	0	114.1
714	A	29	Very low	29.1	Very low	80 Å²	80	133.6 Å²	133.6	66%	0.661	71%	0.713	S	S	*	*			trans	-156.1	162.4	-179.9	0	0	0	0	0	114.2
715	L	29.1	Very low	29.3	Very low	158 Å²	158	131 Å²	131	83%	0.827	71%	0.712	S	S	*	*			trans	160.6	128.2	141.3	-87.1	170.1	0	0	0	116.8
716	Y	26.6	Very low	29.6	Very low	197 Å²	197	134.9 Å²	134.9	77%	0.773	72%	0.721	S	S	*	*			trans	67.5	129.6	138.5	-90.7	-124.3	0	0	0	127.1
717	Y	28.2	Very low	29.8	Very low	165 Å²	165	139.3 Å²	139.3	65%	0.647	72%	0.721	S	S	*	*			trans	69.4	115.1	149.5	-86.7	-119.6	0	0	0	120
718	E	28.8	Very low	30.1	Very low	145 Å²	145	136.4 Å²	136.4	68%	0.678	71%	0.713	S	S	*	*				81.4	136	83.1	-83	-171.7	-164.3	0	0	114.1
719	E	25.7	Very low	30.4	Very low	172 Å²	172	131.5 Å²	131.5	80%	0.804	70%	0.695	S	S	*	*			cis	-158.6	121.8	-15	-176.7	176.5	-130.6	0	0	109.3
720	G	24.7	Very low	30.7	Very low	56 Å²	56	130.6 Å²	130.6	58%	0.577	70%	0.697	S	S	*	*	S	Bend	trans	-121.8	-23.3	175.2	0	0	0	0	0	117.9	D722	G720-D722 VanDerWaalsContact C-N 3.28Å
721	A	57.2	Low	30.8	Very low	94 Å²	94	130.8 Å²	130.8	78%	0.777	70%	0.703	S	S	*	*			cis	-56.8	-37.5	-13.1	0	0	0	0	0	112.3
722	D	32.9	Very low	30.9	Very low	135 Å²	135	135.2 Å²	135.2	72%	0.722	71%	0.709	S	S	*	*			trans	50.7	98.1	171.5	-78.4	-24.8	0	0	0	120.1	G720	G720-D722 VanDerWaalsContact C-N 3.28Å
723	S	30	Very low	31.9	Very low	107 Å²	107	136 Å²	136	75%	0.748	72%	0.723	S	S	*	*			trans	79.6	132.5	140.6	79.6	0	0	0	0	122.7
724	L	29.8	Very low	31.6	Very low	156 Å²	156	138.7 Å²	138.7	82%	0.817	73%	0.731	S	S	*	*			trans	58.5	107.4	139.8	-62.8	169.4	0	0	0	123.9
725	S	30.7	Very low	31.5	Very low	105 Å²	105	140.6 Å²	140.6	73%	0.734	73%	0.734	S	S	*	*				74.6	130	127.5	67.6	0	0	0	0	125.9
726	Q	29.8	Very low	31.6	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	74%	0.739	S	S	*	*			trans	65.1	116.9	143.8	-64.3	-170.1	12.6	0	0	126
727	R	28.5	Very low	31.5	Very low	205 Å²	205	140.4 Å²	140.4	77%	0.774	74%	0.737	S	S	*	*			trans	68.2	111	131.7	-83.5	-172.6	171.6	-178	-1.3	125.8	F712	F712-R727 VanDerWaalsContact CD1-O 3.27Å; F712-R727 WeakPolarHBondContact CD1-O 3.37Å; F712-R727 HydrophobicContact CE1-CB 3.97Å; F712-R727 WeakPolarHBondContact CE1-O 3.27Å; F712-R727 HydrophobicContact CZ-CB 4.36Å
728	V	32	Very low	31.6	Very low	94 Å²	94	140.9 Å²	140.9	57%	0.57	74%	0.743	S	S	*	*			trans	74.6	-152	136.2	-120.7	0	0	0	0	126.1	F712	F712-V728 HydrophobicContact CD1-CB 3.98Å; F712-V728 HydrophobicContact CD1-CG2 4.42Å; F712-V728 HydrophobicContact CD2-CB 3.95Å; F712-V728 HydrophobicContact CD2-CG2 4.48Å; F712-V728 HydrophobicContact CE1-CB 3.86Å; F712-V728 HydrophobicContact CE1-CG2 3.79Å; F712-V728 HydrophobicContact CE2-CB 3.82Å; F712-V728 HydrophobicContact CE2-CG2 3.84Å; F712-V728 HydrophobicContact CG-CB 4.05Å; F712-V728 HydrophobicContact CZ-CB 3.78Å; F712-V728 HydrophobicContact CZ-CG2 3.46Å; F712-V728 VanDerWaalsContact CZ-CG2 3.46Å
729	S	32.3	Very low	31.6	Very low	38 Å²	38	143.4 Å²	143.4	27%	0.266	75%	0.746	S	S	.	*				-121.7	166.9	-122.4	45.5	0	0	0	0	124.8	F712	F712-S729 CarbonylContact C-O 3.5Å; F712-S729 WeakPolarHBondContact CB-O 3.48Å
730	F	31.1	Very low	31.6	Very low	182 Å²	182	140.7 Å²	140.7	80%	0.798	74%	0.737	S	S	*	*			trans	66.3	116.3	146.9	-79.7	-58.8	0	0	0	125.1
731	L	27.3	Very low	31.7	Very low	172 Å²	172	142.7 Å²	142.7	90%	0.901	74%	0.742	S	S	*	*				179.6	-178.3	111.7	-100.4	172.9	0	0	0	115.1
732	K	30.9	Very low	30.2	Very low	194 Å²	194	144.6 Å²	144.6	84%	0.843	75%	0.745	S	S	*	*			trans	-146.2	-178.8	-174.7	-129.4	-178.2	-178	172.9	0	108.4
733	P	52.3	Low	29.9	Very low	108 Å²	108	148.1 Å²	148.1	70%	0.701	75%	0.749	S	S	*	*			cis	-132.5	-171.6	-18.2	43.3	-27.5	0	0	0	113.5
734	L	26.3	Very low	29.7	Very low	168 Å²	168	147.4 Å²	147.4	88%	0.88	74%	0.744	S	S	*	*			trans	-166.5	158.4	142.8	-108.8	169	0	0	0	114.9
735	T	27.5	Very low	29.7	Very low	120 Å²	120	147.2 Å²	147.2	74%	0.736	74%	0.739	S	S	*	*			trans	-75.6	141.2	-159.2	49.7	0	0	0	0	120.7
736	R	30.2	Very low	29.4	Very low	246 Å²	246	149.6 Å²	149.6	93%	0.928	74%	0.742	S	S	*	*			trans	-170.8	136.1	134.2	-106.8	177.6	173.2	-176.9	-2.2	108
737	S	26.4	Very low	29.4	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	74%	0.737	S	S	*	*			cis	108	119.3	13.6	-168	0	0	0	0	114.4
738	K	28.3	Very low	30.3	Very low	174 Å²	174	141.2 Å²	141.2	76%	0.757	73%	0.733	S	S	*	*			trans	76.1	123.1	167.1	-79.9	-171.1	170.9	178	0	121.7
739	R	29.3	Very low	30.3	Very low	199 Å²	199	145.8 Å²	145.8	75%	0.751	74%	0.74	S	S	*	*				65.6	158.6	129.5	-65.9	-161.6	138.1	156.3	2.2	120.3
740	D	26.1	Very low	30.3	Very low	115 Å²	115	149.7 Å²	149.7	62%	0.615	75%	0.754	S	S	*	*			cis	-161.4	145.5	-31.6	-100.2	-15	0	0	0	106.7
741	S	27	Very low	30.3	Very low	98 Å²	98	150 Å²	150	69%	0.685	75%	0.751	S	S	*	*			trans	41.4	125.6	153.2	62.4	0	0	0	0	122.7
742	T	26.3	Very low	30.6	Very low	134 Å²	134	152.1 Å²	152.1	82%	0.822	75%	0.748	S	S	*	*			trans	86.8	151	131.3	52.7	0	0	0	0	123.6
743	Y	26.2	Very low	30.6	Very low	209 Å²	209	146.1 Å²	146.1	82%	0.82	73%	0.731	S	S	*	*			trans	87.1	116.1	165.8	-105.1	-91.6	0	0	0	120.6
744	S	25.7	Very low	29.6	Very low	91 Å²	91	144.2 Å²	144.2	64%	0.636	73%	0.731	S	S	*	*			trans	-79.6	166	174.7	49.4	0	0	0	0	112.2
745	Q	28.7	Very low	29.8	Very low	153 Å²	153	146.3 Å²	146.3	72%	0.715	73%	0.729	S	S	*	*				-176	162.1	110.8	-104	-177.6	14.2	0	0	115
746	L	26.4	Very low	30	Very low	154 Å²	154	144.9 Å²	144.9	81%	0.806	72%	0.723	S	S	*	*			trans	70.2	112.6	150.6	-70.9	160.4	0	0	0	121.9
747	S	29.1	Very low	29.9	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	72%	0.716	S	S	*	*			trans	-72	-178.5	140.9	-138.9	0	0	0	0	109.5
748	P	47.7	Very low	30.1	Very low	106 Å²	106	138 Å²	138	69%	0.688	71%	0.713	S	S	*	*			cis	-153	-166.8	30.4	34.9	-7.3	0	0	0	118.7
749	R	32	Very low	31.2	Very low	191 Å²	191	134.7 Å²	134.7	72%	0.721	71%	0.709	S	S	*	*			trans	95.8	109.7	158	-53.2	-156.2	117	152.8	0.9	116.6
750	H	32	Very low	31.1	Very low	120 Å²	120	133.3 Å²	133.3	56%	0.556	71%	0.712	S	S	*	*				93.9	144.6	81.5	-70.2	-5.7	0	0	0	110.7
751	Y	31.3	Very low	31.3	Very low	189 Å²	189	138.5 Å²	138.5	74%	0.741	72%	0.724	S	S	*	*			cis	-135.8	-167.9	8.8	-95.5	-47.8	0	0	0	109.5
752	Y	32.8	Very low	31.2	Very low	215 Å²	215	139.2 Å²	139.2	84%	0.843	73%	0.729	S	S	*	*			cis	-150.4	-154.1	11.6	-160.9	-128.1	0	0	0	112.6
753	S	31	Very low	31.3	Very low	69 Å²	69	137.6 Å²	137.6	48%	0.483	72%	0.723	S	S	.	*			trans	-58.7	154.3	173.8	-179.1	0	0	0	0	114	Y755	S753-Y755 WeakPolarHBondContact OG-CD2 3.48Å
754	G	30.3	Very low	31.4	Very low	68 Å²	68	136 Å²	136	70%	0.701	72%	0.723	S	S	*	*			cis	113.2	172.8	15.5	0	0	0	0	0	110.3
755	Y	32.4	Very low	31.5	Very low	212 Å²	212	136.4 Å²	136.4	83%	0.831	73%	0.726	S	S	*	*			cis	-163.4	161.1	2.7	-99	-64.9	0	0	0	106.8	S753	S753-Y755 WeakPolarHBondContact OG-CD2 3.48Å
756	S	31.1	Very low	31.5	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	73%	0.726	S	S	*	*			cis	-139.2	-123.3	-4.4	-168.6	0	0	0	0	107.8	S758	S756-S758 PolarHBondContact OG-OG 2.86Å
757	S	28	Very low	31.6	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	72%	0.724	S	S	*	*			cis	-169.2	159.7	-12.9	20	0	0	0	0	110.1
758	S	30.5	Very low	31.8	Very low	99 Å²	99	139.6 Å²	139.6	69%	0.692	73%	0.73	S	S	*	*			cis	-159.4	-160.6	-29.8	-73.5	0	0	0	0	107.6	S756	S756-S758 PolarHBondContact OG-OG 2.86Å
759	P	51.9	Low	31.3	Very low	103 Å²	103	142 Å²	142	67%	0.669	74%	0.736	S	S	*	*				-137.5	-170.9	-116.4	38.9	-14.1	0	0	0	116.4
760	E	27.4	Very low	31.3	Very low	171 Å²	171	142.6 Å²	142.6	80%	0.799	74%	0.738	S	S	*	*				163.2	114.8	127.9	-87.1	172.7	-166	0	0	109.6
761	Y	29.1	Very low	31.4	Very low	223 Å²	223	145.1 Å²	145.1	88%	0.875	75%	0.75	S	S	*	*				57	132.4	98.9	-82.9	-89.1	0	0	0	114.8
762	S	26.2	Very low	31.4	Very low	113 Å²	113	147.4 Å²	147.4	79%	0.79	76%	0.757	S	S	*	*			cis	-145.9	-175.9	35.7	57.8	0	0	0	0	116
763	S	28.3	Very low	31.2	Very low	100 Å²	100	145 Å²	145	70%	0.699	75%	0.752	S	S	*	*			trans	-90.7	177.5	-179.9	53.1	0	0	0	0	112.7
764	E	28.6	Very low	31.2	Very low	176 Å²	176	152.4 Å²	152.4	82%	0.822	77%	0.769	S	S	*	*			cis	-169.3	155.4	29.7	-163.4	179.9	-166.6	0	0	113
765	S	26.9	Very low	31.2	Very low	100 Å²	100	154.9 Å²	154.9	70%	0.699	77%	0.773	S	S	*	*			trans	66.8	149.8	155.7	141.5	0	0	0	0	118.9
766	T	27.9	Very low	31	Very low	116 Å²	116	155.6 Å²	155.6	71%	0.712	78%	0.775	S	S	*	*			cis	-152.6	159.4	-10.9	20.6	0	0	0	0	111
767	H	28.6	Very low	31.1	Very low	167 Å²	167	161.1 Å²	161.1	77%	0.773	79%	0.788	S	S	*	*			trans	-9.4	132.4	171.5	-53.4	-85.5	0	0	0	121.7
768	K	34.3	Very low	31.2	Very low	194 Å²	194	164.6 Å²	164.6	84%	0.843	79%	0.789	S	S	*	*				-159.7	145	123.5	-106.4	145.7	-169.8	169.4	0	113.8	W770	K768-W770 PolarHBondContact O-N 2.84Å; K768-W770 VanDerWaalsContact O-N 3.11Å
769	I	37.7	Very low	31.3	Very low	157 Å²	157	168.5 Å²	168.5	81%	0.805	80%	0.796	S	S	*	*			trans	-85.1	26.2	-165.4	-73.5	163.1	0	0	0	113.3
770	W	31.1	Very low	30.3	Very low	203 Å²	203	169.5 Å²	169.5	77%	0.769	79%	0.792	S	S	*	*			trans	-104.3	-4.6	-161.6	-81.2	83.9	0	0	0	117.1	K768 R772	K768-W770 PolarHBondContact O-N 2.84Å; K768-W770 VanDerWaalsContact O-N 3.11Å; W770-R772 PolarHBondContact O-N 2.96Å
771	E	34.2	Very low	30.8	Very low	173 Å²	173	172.3 Å²	172.3	81%	0.808	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	6.8	-177.2	-62.4	-145.5	115.5	0	0	115.8
772	R	31.2	Very low	31.2	Very low	237 Å²	237	169.2 Å²	169.2	89%	0.894	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	8.2	170.2	-88.3	-171.8	172.7	-173	-1.7	115	W770	W770-R772 PolarHBondContact O-N 2.96Å
773	F	29.4	Very low	31.6	Very low	166 Å²	166	168.8 Å²	168.8	73%	0.728	77%	0.774	S	S	*	*			trans	-125.1	74.4	175	-70.3	-74.8	0	0	0	112.6
774	R	29.7	Very low	32.1	Very low	223 Å²	223	168.7 Å²	168.7	84%	0.842	77%	0.769	S	S	*	*			trans	-113.1	93.6	157.8	-75.7	-166.2	-177.3	-163.7	4.7	110.3
775	P	31.8	Very low	32.6	Very low	120 Å²	120	169.3 Å²	169.3	78%	0.779	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.7	169.2	-19.9	33.4	0	0	0	110.9
776	Y	27.8	Very low	33.1	Very low	227 Å²	227	170 Å²	170	89%	0.89	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-70.7	130.1	174.9	-150.9	-96.9	0	0	0	109.4	K778	Y776-K778 PolarHBondContact O-N 3.17Å
777	K	32.8	Very low	33.9	Very low	205 Å²	205	167.4 Å²	167.4	89%	0.891	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-65.9	122.6	174.4	-85.6	-173.1	174.7	-178.8	0	109.7
778	K	30.3	Very low	34.6	Very low	183 Å²	183	162 Å²	162	80%	0.796	73%	0.734	S	S	*	*			trans	-133.1	161.3	166	-152.7	175.6	-178.1	-174.3	0	109.3	Y776	Y776-K778 PolarHBondContact O-N 3.17Å
779	H	31.7	Very low	34.9	Very low	181 Å²	181	154.4 Å²	154.4	84%	0.838	71%	0.71	S	S	*	*			trans	-55.9	147.5	-172.7	-76.8	-90.3	0	0	0	113.8
780	H	31.9	Very low	35.3	Very low	124 Å²	124	152.9 Å²	152.9	57%	0.574	70%	0.699	S	S	*	*			trans	-144.8	108.9	-179.2	-140.1	70.7	0	0	0	108.9	E783	H780-E783 VanDerWaalsContact CE1-CB 3.46Å; H780-E783 WeakPolarHBondContact CE1-CB 3.45Å; H780-E783 IonicContact CE1-OE1 3.18Å; H780-E783 PolarHBondContact CE1-OE1 3.01Å; H780-E783 IonicContact CE1-OE2 2.7Å; H780-E783 PolarHBondContact CE1-OE2 2.97Å; H780-E783 IonicContact ND1-OE1 3.07Å; H780-E783 PolarHBondContact ND1-OE1 2.94Å
781	R	36.7	Very low	35.8	Very low	230 Å²	230	146 Å²	146	87%	0.868	69%	0.686	S	S	*	*	S	Bend	trans	-143.2	-12.1	164.9	-153.6	171.8	-178.2	178.5	-0.2	113.8
782	E	38.8	Very low	36.5	Very low	159 Å²	159	143.2 Å²	143.2	74%	0.743	68%	0.676	S	S	*	*	S	Bend	trans	-97.9	-35.7	179.2	-61.9	178.7	130.6	0	0	113.3	V784 Y785	E782-V784 PolarHBondContact O-N 3.27Å; E782-V784 VanDerWaalsContact O-N 3.1Å; E782-Y785 PolarHBondContact O-N 2.89Å; E782-Y785 VanDerWaalsContact O-N 3.08Å
783	E	34.3	Very low	36.8	Very low	104 Å²	104	138.8 Å²	138.8	49%	0.486	66%	0.659	S	S	.	*	H	α-helix	trans	-65.2	-17.8	-174	-75	-177.7	-110.1	0	0	114.6	H780 Y785 M786 A787	H780-E783 VanDerWaalsContact CE1-CB 3.46Å; H780-E783 WeakPolarHBondContact CE1-CB 3.45Å; H780-E783 IonicContact CE1-OE1 3.18Å; H780-E783 PolarHBondContact CE1-OE1 3.01Å; H780-E783 IonicContact CE1-OE2 2.7Å; H780-E783 PolarHBondContact CE1-OE2 2.97Å; H780-E783 IonicContact ND1-OE1 3.07Å; H780-E783 PolarHBondContact ND1-OE1 2.94Å; E783-Y785 PolarHBondContact O-N 2.7Å; E783-M786 PolarHBondContact O-N 3.07Å; E783-M786 VanDerWaalsContact O-N 3.1Å; E783-A787 PolarHBondContact O-N 2.89Å
784	V	37.7	Very low	37.6	Very low	97 Å²	97	137.8 Å²	137.8	59%	0.588	65%	0.654	S	S	*	*	H	α-helix	trans	-57.7	-36.9	172.1	-178.9	0	0	0	0	111.2	E782 A788	E782-V784 PolarHBondContact O-N 3.27Å; E782-V784 VanDerWaalsContact O-N 3.1Å; V784-A788 PolarHBondContact O-N 2.9Å
785	Y	38.9	Very low	38.4	Very low	190 Å²	190	135.1 Å²	135.1	75%	0.745	65%	0.649	S	S	*	*	H	α-helix	trans	-76.8	-31.3	177	-64.7	-80	0	0	0	112.4	E782 E783 G789	E782-Y785 PolarHBondContact O-N 2.89Å; E782-Y785 VanDerWaalsContact O-N 3.08Å; E783-Y785 PolarHBondContact O-N 2.7Å; Y785-G789 PolarHBondContact O-N 3.18Å
786	M	39	Very low	39.3	Very low	115 Å²	115	132.5 Å²	132.5	57%	0.567	63%	0.63	S	S	*	*	H	α-helix	trans	-69.2	-39.7	173.9	-62.6	-168.1	-175.8	0	0	112.1	E783 A788 G789 H790	E783-M786 PolarHBondContact O-N 3.07Å; E783-M786 VanDerWaalsContact O-N 3.1Å; M786-A788 VanDerWaalsContact C-N 3.34Å; M786-A788 PolarHBondContact O-N 3.24Å; M786-G789 PolarHBondContact O-N 3.28Å; M786-H790 PolarHBondContact O-N 2.93Å
787	A	44	Very low	40.2	Very low	61 Å²	61	128.9 Å²	128.9	50%	0.504	62%	0.622	S	S	.	*	H	α-helix	trans	-61.3	-40.2	177.9	0	0	0	0	0	112.5	E783 H790 A791	E783-A787 PolarHBondContact O-N 2.89Å; A787-H790 PolarHBondContact O-N 3.04Å; A787-A791 PolarHBondContact O-N 3.38Å
788	A	42.5	Very low	40.7	Very low	54 Å²	54	127.4 Å²	127.4	45%	0.446	62%	0.616	S	S	.	*	H	α-helix	trans	-61.3	-47.1	175.7	0	0	0	0	0	112.1	V784 M786 H790 A791 L792	V784-A788 PolarHBondContact O-N 2.9Å; M786-A788 VanDerWaalsContact C-N 3.34Å; M786-A788 PolarHBondContact O-N 3.24Å; A788-H790 VanDerWaalsContact C-N 3.29Å; A788-H790 PolarHBondContact O-N 2.04Å; A788-A791 PolarHBondContact O-N 2.82Å; A788-L792 PolarHBondContact O-N 2.83Å
789	G	41.4	Very low	41.6	Very low	33 Å²	33	120.5 Å²	120.5	34%	0.34	59%	0.592	S	S	.	*	H	α-helix	trans	-60.9	-36	174.6	0	0	0	0	0	113.1	Y785 M786 L792 R793	Y785-G789 PolarHBondContact O-N 3.18Å; M786-G789 PolarHBondContact O-N 3.28Å; G789-L792 PolarHBondContact O-N 2.85Å; G789-R793 PolarHBondContact O-N 2.83Å
790	H	45.3	Very low	42.5	Very low	125 Å²	125	119.4 Å²	119.4	58%	0.579	59%	0.585	S	S	*	*	H	α-helix	trans	-70.3	-31.1	177.6	-156.8	-32.6	0	0	0	113	M786 A787 A788	M786-H790 PolarHBondContact O-N 2.93Å; A787-H790 PolarHBondContact O-N 3.04Å; A788-H790 VanDerWaalsContact C-N 3.29Å; A788-H790 PolarHBondContact O-N 2.04Å
791	A	43.4	Very low	43.2	Very low	60 Å²	60	119.6 Å²	119.6	50%	0.496	59%	0.591	S	S	.	*	H	α-helix	trans	-73	-41.8	172.9	0	0	0	0	0	112.1	A787 A788 K794 K795	A787-A791 PolarHBondContact O-N 3.38Å; A788-A791 PolarHBondContact O-N 2.82Å; A791-K794 PolarHBondContact O-N 2.79Å; A791-K795 PolarHBondContact O-N 2.82Å
792	L	47.1	Very low	43.8	Very low	113 Å²	113	116.6 Å²	116.6	59%	0.592	59%	0.586	S	S	*	*	H	α-helix	trans	-58.9	-48.9	174.1	-92.1	158.3	0	0	0	112	A788 G789 K794 K795 V796	A788-L792 PolarHBondContact O-N 2.83Å; G789-L792 PolarHBondContact O-N 2.85Å; L792-K794 PolarHBondContact O-N 3.16Å; L792-K794 VanDerWaalsContact O-N 3.13Å; L792-K795 PolarHBondContact O-N 2.89Å; L792-V796 PolarHBondContact O-N 3.05Å
793	R	38.8	Very low	44.5	Very low	145 Å²	145	113.3 Å²	113.3	55%	0.547	57%	0.574	S	S	.	*	H	α-helix	trans	-57.1	-31.2	179.7	-149.2	-178.3	-61.5	-171.1	9.4	112.4	Q41 G789 Q797	Q41-R793 VanDerWaalsContact OE1-NH1 3.14Å; G789-R793 PolarHBondContact O-N 2.83Å; R793-Q797 WeakPolarHBondContact O-CG 3.28Å
794	K	45.8	Very low	45.4	Very low	144 Å²	144	111.7 Å²	111.7	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-83	-11.1	175.2	-92.9	-172	174.3	179.7	0	115.7	A791 L792 F798	A791-K794 PolarHBondContact O-N 2.79Å; L792-K794 PolarHBondContact O-N 3.16Å; L792-K794 VanDerWaalsContact O-N 3.13Å; K794-F798 WeakPolarHBondContact O-CD2 3.21Å
795	K	47.2	Very low	46.2	Very low	168 Å²	168	112.7 Å²	112.7	73%	0.73	57%	0.566	S	S	*	*	H	α-helix	trans	-97.8	-43.8	173.8	-81.6	-169.7	172.5	-174.3	0	112.5	A791 L792 Q797 F798	A791-K795 PolarHBondContact O-N 2.82Å; L792-K795 PolarHBondContact O-N 2.89Å; K795-Q797 PolarHBondContact O-N 2.94Å; K795-F798 PolarHBondContact O-N 2.9Å
796	V	49.5	Very low	47.2	Very low	65 Å²	65	109.5 Å²	109.5	39%	0.394	56%	0.562	S	S	.	*	H	α-helix	trans	-62.6	-31.9	-177.2	179.3	0	0	0	0	111.8	L792 F798 A799	L792-V796 PolarHBondContact O-N 3.05Å; V796-F798 PolarHBondContact O-N 3.49Å; V796-A799 PolarHBondContact O-N 2.88Å
797	Q	46.5	Very low	48.2	Very low	151 Å²	151	107.8 Å²	107.8	71%	0.706	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-2.9	173.4	-74.7	-174.3	-35.2	0	0	115.6	R793 K795	R793-Q797 WeakPolarHBondContact O-CG 3.28Å; K795-Q797 PolarHBondContact O-N 2.94Å
798	F	44.8	Very low	48.7	Very low	174 Å²	174	109.3 Å²	109.3	76%	0.763	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.5	4.6	176.5	-63.8	-82.9	0	0	0	113.9	K794 K795 V796	K794-F798 WeakPolarHBondContact O-CD2 3.21Å; K795-F798 PolarHBondContact O-N 2.9Å; V796-F798 PolarHBondContact O-N 3.49Å
799	A	47.2	Very low	49.2	Very low	37 Å²	37	111 Å²	111	31%	0.306	56%	0.555	S	S	.	*			trans	-69.7	146.5	171.4	0	0	0	0	0	110.3	V796 D803	V796-A799 PolarHBondContact O-N 2.88Å; A799-D803 HydrophobicContact CB-CB 4.03Å
800	K	52.1	Low	50	Low	158 Å²	158	117.3 Å²	117.3	69%	0.687	57%	0.57	S	S	*	*			trans	-91.3	168.9	165.4	-88.2	-168	167.3	-162.9	0	110.9	E802 D803 L804	K800-E802 PolarHBondContact O-N 3.02Å; K800-E802 VanDerWaalsContact O-N 3.12Å; K800-D803 PolarHBondContact N-OD2 2.79Å; K800-D803 WeakPolarHBondContact O-CB 3.22Å; K800-D803 PolarHBondContact O-N 2.98Å; K800-L804 PolarHBondContact O-N 2.96Å
801	D	46.9	Very low	50.2	Low	129 Å²	129	119 Å²	119	69%	0.69	57%	0.571	S	S	*	*	H	α-helix	trans	-57.7	-30	-172.5	-48.6	-78.1	0	0	0	113.4	H805	D801-H805 PolarHBondContact O-ND1 2.84Å
802	E	48.7	Very low	50.5	Low	167 Å²	167	122.6 Å²	122.6	78%	0.78	58%	0.575	S	S	*	*	H	α-helix	trans	-71	-49.6	174.3	-64.4	176.1	155.5	0	0	111.8	K800 L804 H805	K800-E802 PolarHBondContact O-N 3.02Å; K800-E802 VanDerWaalsContact O-N 3.12Å; E802-L804 PolarHBondContact O-N 2.83Å; E802-L804 VanDerWaalsContact O-N 3.12Å; E802-H805 PolarHBondContact O-N 2.89Å; E802-H805 VanDerWaalsContact O-N 3.1Å
803	D	53.3	Low	50.6	Low	89 Å²	89	118.8 Å²	118.8	48%	0.476	56%	0.564	S	S	.	*	H	α-helix	trans	-56.6	-31.3	177	-56.8	-62.9	0	0	0	112.1	A799 K800 I807	A799-D803 HydrophobicContact CB-CB 4.03Å; K800-D803 PolarHBondContact N-OD2 2.79Å; K800-D803 WeakPolarHBondContact O-CB 3.22Å; K800-D803 PolarHBondContact O-N 2.98Å; D803-I807 WeakPolarHBondContact O-CD1 3.45Å; D803-I807 VanDerWaalsContact O-CG1 3.29Å; D803-I807 WeakPolarHBondContact O-CG1 3.47Å; D803-I807 PolarHBondContact O-N 2.87Å
804	L	53.7	Low	50.9	Low	70 Å²	70	114 Å²	114	37%	0.366	55%	0.55	S	S	.	*	H	α-helix	trans	-71.6	-31.8	-178.1	-170.6	64.7	0	0	0	112.7	K800 E802 L808	K800-L804 PolarHBondContact O-N 2.96Å; E802-L804 PolarHBondContact O-N 2.83Å; E802-L804 VanDerWaalsContact O-N 3.12Å; L804-L808 HydrophobicContact CG-CD1 4.31Å; L804-L808 WeakPolarHBondContact O-CB 3.3Å; L804-L808 WeakPolarHBondContact O-CG 3.41Å; L804-L808 PolarHBondContact O-N 2.95Å; L804-L808 VanDerWaalsContact O-N 3.09Å
805	H	54.9	Low	50.6	Low	118 Å²	118	110.5 Å²	110.5	55%	0.546	54%	0.544	S	S	.	.	H	α-helix	trans	-71.1	-44.5	178	-76.7	76.7	0	0	0	111.3	D801 E802 I807 L808 D809	D801-H805 PolarHBondContact O-ND1 2.84Å; E802-H805 PolarHBondContact O-N 2.89Å; E802-H805 VanDerWaalsContact O-N 3.1Å; H805-I807 VanDerWaalsContact C-N 3.29Å; H805-I807 PolarHBondContact O-N 3.48Å; H805-L808 PolarHBondContact O-N 2.76Å; H805-L808 VanDerWaalsContact O-N 3.11Å; H805-D809 PolarHBondContact O-N 2.83Å
806	D	58.7	Low	50.4	Low	124 Å²	124	105.4 Å²	105.4	66%	0.663	53%	0.534	S	S	*	.	H	α-helix	trans	-60.4	-38.9	176.2	-73.1	-9.9	0	0	0	111.9	Y810	D806-Y810 VanDerWaalsContact O-CB 3.29Å; D806-Y810 WeakPolarHBondContact O-CB 3.29Å; D806-Y810 PolarHBondContact O-N 3.28Å
807	I	59.3	Low	50.2	Low	79 Å²	79	109.6 Å²	109.6	41%	0.405	55%	0.549	S	S	.	.	H	α-helix	trans	-67	-38.8	175.6	-68.4	167.9	0	0	0	111.4	D803 H805 W811	D803-I807 WeakPolarHBondContact O-CD1 3.45Å; D803-I807 VanDerWaalsContact O-CG1 3.29Å; D803-I807 WeakPolarHBondContact O-CG1 3.47Å; D803-I807 PolarHBondContact O-N 2.87Å; H805-I807 VanDerWaalsContact C-N 3.29Å; H805-I807 PolarHBondContact O-N 3.48Å; I807-W811 PolarHBondContact O-N 3.2Å; I807-W811 VanDerWaalsContact O-N 3.16Å
808	L	55.3	Low	49.8	Very low	92 Å²	92	109.8 Å²	109.8	48%	0.482	55%	0.55	S	S	.	.	H	α-helix	trans	-68.8	-42.3	177.3	-80.7	165.6	0	0	0	112.2	L804 H805 W811 K812	L804-L808 HydrophobicContact CG-CD1 4.31Å; L804-L808 WeakPolarHBondContact O-CB 3.3Å; L804-L808 WeakPolarHBondContact O-CG 3.41Å; L804-L808 PolarHBondContact O-N 2.95Å; L804-L808 VanDerWaalsContact O-N 3.09Å; H805-L808 PolarHBondContact O-N 2.76Å; H805-L808 VanDerWaalsContact O-N 3.11Å; L808-W811 PolarHBondContact O-N 2.87Å; L808-K812 WeakPolarHBondContact O-CG 3.31Å; L808-K812 PolarHBondContact O-N 2.93Å
809	D	53	Low	49.5	Very low	90 Å²	90	109.9 Å²	109.9	48%	0.481	55%	0.55	S	S	.	*	H	α-helix	trans	-73.7	-32.7	179.8	-78.1	-1.5	0	0	0	112.2	H805 W811 K812 G813	H805-D809 PolarHBondContact O-N 2.83Å; D809-W811 VanDerWaalsContact C-N 3.33Å; D809-W811 PolarHBondContact O-N 2.81Å; D809-K812 PolarHBondContact O-N 2.79Å; D809-K812 WeakPolarHBondContact OD1-CD 3.32Å; D809-K812 WeakPolarHBondContact OD1-CE 3.46Å; D809-K812 IonicContact OD1-NZ 2.65Å; D809-K812 PolarHBondContact OD1-NZ 3.25Å; D809-G813 PolarHBondContact O-N 2.87Å
810	Y	58.4	Low	48.8	Very low	165 Å²	165	118.7 Å²	118.7	65%	0.647	59%	0.591	S	S	*	*	H	α-helix	trans	-57	-45.6	165.9	-179.6	-97.8	0	0	0	111.7	D806 G813 V814	D806-Y810 VanDerWaalsContact O-CB 3.29Å; D806-Y810 WeakPolarHBondContact O-CB 3.29Å; D806-Y810 PolarHBondContact O-N 3.28Å; Y810-G813 PolarHBondContact O-N 2.98Å; Y810-V814 HydrophobicContact CD1-CG2 4.36Å; Y810-V814 HydrophobicContact CE1-CG2 3.97Å; Y810-V814 WeakPolarHBondContact O-CG2 3.29Å; Y810-V814 PolarHBondContact O-N 2.89Å
811	W	49.7	Very low	48.7	Very low	162 Å²	162	116.7 Å²	116.7	61%	0.614	59%	0.586	S	S	*	*	H	α-helix	trans	-69.9	-32	177.8	-93.3	90.2	0	0	0	114	I807 L808 D809 G813 V814 S815	I807-W811 PolarHBondContact O-N 3.2Å; I807-W811 VanDerWaalsContact O-N 3.16Å; L808-W811 PolarHBondContact O-N 2.87Å; D809-W811 VanDerWaalsContact C-N 3.33Å; D809-W811 PolarHBondContact O-N 2.81Å; W811-G813 VanDerWaalsContact C-N 3.33Å; W811-V814 PolarHBondContact O-N 2.86Å; W811-S815 VanDerWaalsContact O-CB 3.27Å; W811-S815 WeakPolarHBondContact O-CB 3.41Å; W811-S815 PolarHBondContact O-N 3.11Å
812	K	50.3	Low	48.8	Very low	134 Å²	134	116.1 Å²	116.1	58%	0.583	58%	0.58	S	S	*	*	H	α-helix	trans	-62.3	-41.7	168.7	-69.6	172.7	-162.6	159.7	0	111.2	L808 D809 S815 A816	L808-K812 WeakPolarHBondContact O-CG 3.31Å; L808-K812 PolarHBondContact O-N 2.93Å; D809-K812 PolarHBondContact O-N 2.79Å; D809-K812 WeakPolarHBondContact OD1-CD 3.32Å; D809-K812 WeakPolarHBondContact OD1-CE 3.46Å; D809-K812 IonicContact OD1-NZ 2.65Å; D809-K812 PolarHBondContact OD1-NZ 3.25Å; K812-S815 PolarHBondContact O-N 2.83Å; K812-A816 WeakPolarHBondContact O-CB 3.31Å; K812-A816 PolarHBondContact O-N 3.28Å
813	G	48	Very low	48.8	Very low	34 Å²	34	113.2 Å²	113.2	35%	0.351	57%	0.569	S	S	.	*	H	α-helix	trans	-59.1	-51.6	174.7	0	0	0	0	0	112.5	D809 Y810 W811 S815 A816 Q817	D809-G813 PolarHBondContact O-N 2.87Å; Y810-G813 PolarHBondContact O-N 2.98Å; W811-G813 VanDerWaalsContact C-N 3.33Å; G813-S815 VanDerWaalsContact C-N 3.34Å; G813-S815 PolarHBondContact O-N 2.79Å; G813-A816 PolarHBondContact O-N 2.82Å; G813-Q817 WeakPolarHBondContact O-CG 3.33Å; G813-Q817 PolarHBondContact O-N 2.99Å; G813-Q817 VanDerWaalsContact O-N 3.08Å
814	V	46.3	Very low	48.5	Very low	43 Å²	43	114.6 Å²	114.6	26%	0.261	58%	0.575	S	S	.	*	H	α-helix	trans	-62.2	-40	177.4	175.2	0	0	0	0	111.8	Y810 W811 Q817 Q818	Y810-V814 HydrophobicContact CD1-CG2 4.36Å; Y810-V814 HydrophobicContact CE1-CG2 3.97Å; Y810-V814 WeakPolarHBondContact O-CG2 3.29Å; Y810-V814 PolarHBondContact O-N 2.89Å; W811-V814 PolarHBondContact O-N 2.86Å; V814-Q817 PolarHBondContact O-N 3.44Å; V814-Q818 PolarHBondContact O-N 3.24Å
815	S	39.4	Very low	48.2	Very low	71 Å²	71	117.4 Å²	117.4	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-65.9	-37.7	177	-177.9	0	0	0	0	112.8	W811 K812 G813 Q817 Q818	W811-S815 VanDerWaalsContact O-CB 3.27Å; W811-S815 WeakPolarHBondContact O-CB 3.41Å; W811-S815 PolarHBondContact O-N 3.11Å; K812-S815 PolarHBondContact O-N 2.83Å; G813-S815 VanDerWaalsContact C-N 3.34Å; G813-S815 PolarHBondContact O-N 2.79Å; S815-Q817 VanDerWaalsContact C-N 3.3Å; S815-Q817 PolarHBondContact O-N 2.76Å; S815-Q818 PolarHBondContact O-N 3.35Å
816	A	43	Very low	47.7	Very low	62 Å²	62	117.4 Å²	117.4	51%	0.512	59%	0.59	S	S	.	*	H	α-helix	trans	-65.7	-34.1	173.5	0	0	0	0	0	112.2	K812 G813 Q818 K819	K812-A816 WeakPolarHBondContact O-CB 3.31Å; K812-A816 PolarHBondContact O-N 3.28Å; G813-A816 PolarHBondContact O-N 2.82Å; A816-Q818 VanDerWaalsContact C-N 3.25Å; A816-Q818 PolarHBondContact O-N 2.91Å; A816-K819 PolarHBondContact O-N 3.36Å
817	Q	44.2	Very low	46.9	Very low	152 Å²	152	116.9 Å²	116.9	71%	0.71	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-4.7	175.9	-70.3	177.6	-44.7	0	0	114.5	G813 V814 S815	G813-Q817 WeakPolarHBondContact O-CG 3.33Å; G813-Q817 PolarHBondContact O-N 2.99Å; G813-Q817 VanDerWaalsContact O-N 3.08Å; V814-Q817 PolarHBondContact O-N 3.44Å; S815-Q817 VanDerWaalsContact C-N 3.3Å; S815-Q817 PolarHBondContact O-N 2.76Å
818	Q	39.1	Very low	46	Very low	155 Å²	155	119.8 Å²	119.8	72%	0.724	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	14.1	169.5	-66	-170.7	-53.2	0	0	112.9	V814 S815 A816	V814-Q818 PolarHBondContact O-N 3.24Å; S815-Q818 PolarHBondContact O-N 3.35Å; A816-Q818 VanDerWaalsContact C-N 3.25Å; A816-Q818 PolarHBondContact O-N 2.91Å
819	K	38.7	Very low	45.2	Very low	177 Å²	177	122.2 Å²	122.2	77%	0.77	61%	0.609	S	S	*	*			trans	-119.1	16.1	176	-104.5	-178	176.7	178.7	0	113.4	A816	A816-K819 PolarHBondContact O-N 3.36Å
820	L	32.2	Very low	44.5	Very low	221 Å²	221	125.1 Å²	125.1	100%	1.157	62%	0.62	S	S	*	*			trans	-127.1	0	166.4	-73.5	169	0	0	0	107.8

Retrieved 820 of 820 residues in 123.7 ms (Link to these results)

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