A0A087X3I5_POEFO Loading...

Adenylate cyclase type 1

Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling.

AlphaFold DB , UniProt , Accession A0A087X3I5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,160 aa.

						>A0A087X3I5_POEFO|A0A087X3I5
MTNLLLKVKTRRKRSHCPPGVPLTTIACEDEFDCKELESLFQNYNLKLEQTSTLKALAVLIFTSATLALVELLSGPSLTISKGSHPVHCVIFLSLFIVTNVKYLQVTQLQQIVNLTLLFSFTFSFLCCPFSLGAMGLEPPTSPEQGVWQLILVTFVAYALLPVRTLLAVVFGVMVSISHLIVTATSVTVKTQKLWRTLVANTVLFTSVNLSGLFVRILTERAQRKAFLQARNCIEERLRMEDENEKQERLLMSLLPRNVAMEMKEDFLKPPERIFHKIYIQRHDNVSILFADIVGFTSLASQCTAQELVKLLNELFGKFDELATENHCRRIKILGDCYYCVSGLTQPKTDHAHCCVEMGLDMIDTITSVAEATEVNLNMRVGLHTGRVLCGVLGLRKWQYDVWSNDVTLANVMEAGGLPGKVHITRSTLECLNGDYEVEPGNGHERNAFLQKHEIETFFIVPSHRRKIFPGLILSDIKPAKKMKFKTVCYLLVQLMHCRKMFKAEIPFSNVMNCEDGDKRRAMRTAPQKLRNRSNANQANLIQSSPRTRVNRYIGRLIEARQTESDTADLNFLTLMYKCSEREQRYHQVPDEYFTSAVVLSLILAALFGIVYLLIIPQGTVVLVLLVFCICFLVACIMYLHITRVQCFPGCLTIQIRTALCLLIVLLIYAVAQACVVGCMPWMWGSANTNSSIIIIDVDRGANRTMAELPCDGARYAFLSCVVGTLTLALFLRVSWLPKMALMLLLGVLYITVLELSGFRKTAGGGSFHIRGYEPILSLLLFVSALALHSRQLDLKLRLDFLWAVQAEEERDGMEKVKLDNRRILFNLLPAHVAQHFLMSNPRNMVSHANKQACRQTDQQDLYYQSYAQVGVLFASIPNFNDFYIELDGNNMGVECLRLLNEIIADFDELMDKECYKDIEKIKTIGSTYMAAVGLVPTIGTKAKKSVYDHLSTIADYAIEMFDVLDEINYQSYNEFVLRVGINVGPVVAGVIGARRPQYDIWGNTVNVASRMDSTGVPGKIQVTEEAYRMLNSNYDLVCRGKVSVKGKGEMLTYFLEGKVQGIGTATTSSVMRSTSLARRIHSCGKTSVPTHLGSVSSAASLAAQASMGGNFQTSSANISNSQATCLPSPCVLGEVEDEDVVEVTHIQIEAVAAIADVAV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	27.4	Very low	205 Å²	205	168.6 Å²	168.6	100%	1.01	84%	0.837	S	S	*	*				0	-22.8	0	-142.5	155.9	85	0	0	113.4
2	T	23.7	Very low	27.6	Very low	109 Å²	109	170.4 Å²	170.4	67%	0.669	83%	0.827	S	S	*	*			trans	-86.5	-18.6	-178.1	26.5	0	0	0	0	116.3
3	N	23.5	Very low	27.4	Very low	155 Å²	155	174 Å²	174	83%	0.829	84%	0.836	S	S	*	*	S	Bend	trans	-94.6	1.9	-177.8	-82.9	-27.4	0	0	0	115.8
4	L	25.8	Very low	27.4	Very low	161 Å²	161	177.9 Å²	177.9	84%	0.843	84%	0.838	S	S	*	*	S	Bend	trans	-100.3	-0.8	-179.1	-107.5	133.5	0	0	0	114.2
5	L	30.1	Very low	27.2	Very low	144 Å²	144	173.5 Å²	173.5	75%	0.754	83%	0.834	S	S	*	*	S	Bend	trans	-99.5	0.2	179.2	-89.4	160.8	0	0	0	114.3
6	L	29.2	Very low	27	Very low	153 Å²	153	173.9 Å²	173.9	80%	0.801	83%	0.834	S	S	*	*			trans	-114.9	61.4	-170.2	-121.3	148.8	0	0	0	112.2
7	K	28.6	Very low	26.9	Very low	206 Å²	206	170.8 Å²	170.8	90%	0.896	83%	0.833	S	S	*	*			trans	-158	61.5	165.1	-121.4	175.9	-173.9	178.7	0	112.9
8	V	28.4	Very low	26.9	Very low	130 Å²	130	167.9 Å²	167.9	79%	0.788	83%	0.83	S	S	*	*			trans	-126.6	100.4	155	179.4	0	0	0	0	107.4	T10	V8-T10 VanDerWaalsContact C-N 3.35Å; V8-T10 HydrophobicContact CG1-CG2 4.37Å; V8-T10 PolarHBondContact O-N 3.33Å; V8-T10 VanDerWaalsContact O-N 3.12Å
9	K	28.3	Very low	27	Very low	217 Å²	217	166.2 Å²	166.2	94%	0.943	83%	0.832	S	S	*	*			trans	-82.6	78.2	-177.4	-156.9	178.8	-170.8	-178.4	0	108.2
10	T	27.4	Very low	27.3	Very low	111 Å²	111	161.6 Å²	161.6	68%	0.681	83%	0.829	S	S	*	*			trans	-87.9	126.2	159.8	44.4	0	0	0	0	108	V8 R12	V8-T10 VanDerWaalsContact C-N 3.35Å; V8-T10 HydrophobicContact CG1-CG2 4.37Å; V8-T10 PolarHBondContact O-N 3.33Å; V8-T10 VanDerWaalsContact O-N 3.12Å; T10-R12 VanDerWaalsContact C-N 3.32Å; T10-R12 PolarHBondContact O-N 3.28Å
11	R	26.7	Very low	27.3	Very low	264 Å²	264	159.4 Å²	159.4	100%	0.996	82%	0.823	S	S	*	*			trans	-58.4	88.6	176.1	-95.6	176.5	166.1	175.9	-2.7	110
12	R	29.8	Very low	27.1	Very low	190 Å²	190	154.2 Å²	154.2	72%	0.717	81%	0.805	S	S	*	*			trans	-96.3	121.5	153.2	-94.3	-177.5	172	-165.9	-7.4	107.4	T10 R14 D33	T10-R12 VanDerWaalsContact C-N 3.32Å; T10-R12 PolarHBondContact O-N 3.28Å; R12-R14 PolarHBondContact O-N 3.01Å; R12-R14 VanDerWaalsContact O-N 3.16Å; R12-D33 IonicContact NH1-OD2 3.82Å; R12-D33 IonicContact NH2-OD2 2.6Å
13	K	25.9	Very low	27.3	Very low	217 Å²	217	157.1 Å²	157.1	94%	0.943	82%	0.815	S	S	*	*			trans	-53.9	116.5	169.8	-93	178.1	170.7	178	0	108.3	S15	K13-S15 PolarHBondContact O-N 3.34Å
14	R	27.3	Very low	27.5	Very low	229 Å²	229	155.5 Å²	155.5	86%	0.864	81%	0.811	S	S	*	*			trans	-72.3	108.4	171.3	-86.1	-179.4	170.8	175.8	-4.4	109.5	R12	R12-R14 PolarHBondContact O-N 3.01Å; R12-R14 VanDerWaalsContact O-N 3.16Å
15	S	23.6	Very low	27.5	Very low	112 Å²	112	152.6 Å²	152.6	78%	0.783	80%	0.8	S	S	*	*			trans	-74.6	132.1	147.9	47.2	0	0	0	0	108	K13	K13-S15 PolarHBondContact O-N 3.34Å
16	H	24.9	Very low	27.6	Very low	180 Å²	180	152.9 Å²	152.9	83%	0.833	80%	0.801	S	S	*	*			trans	-71.7	132.7	-179.8	-76.8	39.9	0	0	0	110.8
17	C	25.5	Very low	27.9	Very low	120 Å²	120	149.1 Å²	149.1	81%	0.811	79%	0.792	S	S	*	*			trans	-118.8	146.8	157.3	-80.4	0	0	0	0	108.9
18	P	26.2	Very low	28.4	Very low	119 Å²	119	143.4 Å²	143.4	77%	0.773	78%	0.777	S	S	*	*			trans	-77.5	160.1	-168.1	32.6	-34.4	0	0	0	112.9
19	P	29	Very low	29.2	Very low	136 Å²	136	146 Å²	146	88%	0.883	78%	0.781	S	S	*	*	S	Bend	trans	-85.2	132.5	-172.6	33.1	-30.8	0	0	0	112.2
20	G	33	Very low	30.5	Very low	74 Å²	74	139 Å²	139	76%	0.763	75%	0.753	S	S	*	*			trans	138.5	74.8	166.4	0	0	0	0	0	114.8
21	V	26.3	Very low	32.4	Very low	115 Å²	115	139 Å²	139	70%	0.697	75%	0.746	S	S	*	*			trans	-139	138.6	164.3	-176.6	0	0	0	0	109.2	T25	V21-T25 HydrophobicContact CG1-CG2 4.19Å
22	P	26.9	Very low	34.7	Very low	97 Å²	97	127.8 Å²	127.8	63%	0.63	70%	0.704	S	S	*	*			trans	-73.4	165.4	-172.3	-11	27.9	0	0	0	113.9	T24	P22-T24 PolarHBondContact O-N 3.2Å
23	L	28.2	Very low	36.7	Very low	169 Å²	169	125 Å²	125	89%	0.885	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	23.3	-171.8	-141	86.1	0	0	0	117
24	T	25.7	Very low	39	Very low	121 Å²	121	115.7 Å²	115.7	74%	0.742	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	0.1	178.3	46	0	0	0	0	114.1	P22 I26	P22-T24 PolarHBondContact O-N 3.2Å; T24-I26 PolarHBondContact O-N 2.94Å
25	T	26.7	Very low	41.5	Very low	101 Å²	101	113.3 Å²	113.3	62%	0.62	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	49	-177.9	56.2	0	0	0	0	113.9	V21	V21-T25 HydrophobicContact CG1-CG2 4.19Å
26	I	32.3	Very low	44.1	Very low	149 Å²	149	112.5 Å²	112.5	76%	0.764	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-1.2	165.3	-63.8	176.4	0	0	0	111.1	T24	T24-I26 PolarHBondContact O-N 2.94Å
27	A	34.9	Very low	46.7	Very low	75 Å²	75	104.2 Å²	104.2	62%	0.62	61%	0.607	S	S	*	*	S	Bend	trans	-97.3	122.6	176.3	0	0	0	0	0	111.8
28	C	40.4	Very low	49.5	Very low	86 Å²	86	99 Å²	99	58%	0.581	57%	0.571	S	S	*	*			trans	67.3	91.3	164.8	-74.1	0	0	0	0	119.4
29	E	44.7	Very low	52.1	Low	185 Å²	185	95.8 Å²	95.8	86%	0.864	55%	0.551	S	S	*	*			trans	-130.7	64.6	133.7	-77.1	-170	166.1	0	0	108
30	D	55.8	Low	54.7	Low	68 Å²	68	90 Å²	90	36%	0.364	51%	0.513	S	S	.	.			trans	-90.4	-5.5	174.9	-74.2	-40.1	0	0	0	112.3	R224	D30-R224 PolarHBondContact O-NE 3.43Å; D30-R224 PolarHBondContact O-NH1 2.82Å; D30-R224 VanDerWaalsContact O-NH1 3.13Å; D30-R224 PolarHBondContact O-NH2 3.22Å
31	E	66.9	Low	57.1	Low	112 Å²	112	87 Å²	87	52%	0.523	48%	0.479	S	S	.	.	S	Bend	trans	-88.4	143.6	177.7	-151.7	173.9	167.3	0	0	110.3	D33 E38	E31-D33 PolarHBondContact O-N 3.13Å; E31-E38 HydrophobicContact CG-CB 4.07Å; E31-E38 HydrophobicContact CG-CG 3.53Å
32	F	74.8	Confident	59.8	Low	28 Å²	28	84.9 Å²	84.9	12%	0.123	46%	0.461	C	S	.	.			trans	-62.6	140.3	169.5	-66.1	-63.8	0	0	0	110.2	C34 L37 E38 F41 R224 F227 L228	F32-C34 PolarHBondContact O-N 3.07Å; F32-L37 HydrophobicContact CB-CB 4.19Å; F32-L37 HydrophobicContact CB-CD2 3.94Å; F32-L37 HydrophobicContact CB-CG 4.25Å; F32-L37 HydrophobicContact CD1-CD2 3.84Å; F32-L37 HydrophobicContact CD2-CB 4.39Å; F32-L37 HydrophobicContact CD2-CD2 4.1Å; F32-L37 HydrophobicContact CD2-CG 3.87Å; F32-L37 HydrophobicContact CE1-CD2 4.4Å; F32-L37 HydrophobicContact CE2-CG 4.38Å; F32-L37 HydrophobicContact CG-CB 4.41Å; F32-L37 HydrophobicContact CG-CD2 3.68Å; F32-L37 HydrophobicContact CG-CG 3.96Å; F32-E38 WeakPolarHBondContact CD2-OE2 3.29Å; F32-E38 PolarHBondContact N-OE2 2.89Å; F32-F41 HydrophobicContact CD2-CB 4.38Å; F32-F41 HydrophobicContact CE2-CB 3.78Å; F32-F41 HydrophobicContact CE2-CD1 4.36Å; F32-F41 HydrophobicContact CE2-CD2 4.19Å; F32-F41 AromaticContact CE2-CG 3.86Å; F32-F41 HydrophobicContact CE2-CG 3.86Å; F32-R224 HydrophobicContact CZ-CB 4.11Å; F32-R224 HydrophobicContact CZ-CG 4.13Å; F32-F227 HydrophobicContact CE2-CD1 4.17Å; F32-F227 HydrophobicContact CE2-CE1 4.24Å; F32-F227 HydrophobicContact CZ-CD1 4.05Å; F32-F227 HydrophobicContact CZ-CE1 4.48Å; F32-L228 HydrophobicContact CD1-CD2 4.24Å; F32-L228 HydrophobicContact CE1-CD1 3.7Å; F32-L228 HydrophobicContact CE1-CD2 3.67Å; F32-L228 HydrophobicContact CE1-CG 3.61Å; F32-L228 HydrophobicContact CZ-CD1 4.48Å; F32-L228 HydrophobicContact CZ-CD2 4.22Å; F32-L228 HydrophobicContact CZ-CG 4.03Å
33	D	71.1	Confident	62.4	Low	132 Å²	132	83.7 Å²	83.7	71%	0.706	45%	0.45	S	S	*	.	S	Bend	trans	-51	-18.2	175	-56.8	-41.7	0	0	0	113.8	R12 E31	R12-D33 IonicContact NH1-OD2 3.82Å; R12-D33 IonicContact NH2-OD2 2.6Å; E31-D33 PolarHBondContact O-N 3.13Å
34	C	75.4	Confident	65	Low	22 Å²	22	77.2 Å²	77.2	15%	0.149	41%	0.413	C	S	.	.	S	Bend	trans	-113.7	114.9	-179.2	-176.1	0	0	0	0	111.2	F32 E36 L37 E38	F32-C34 PolarHBondContact O-N 3.07Å; C34-E36 VanDerWaalsContact C-N 3.29Å; C34-E36 PolarHBondContact O-N 2.96Å; C34-L37 HydrophobicContact CB-CB 4.01Å; C34-L37 WeakPolarHBondContact O-CB 3.42Å; C34-L37 PolarHBondContact O-N 3.46Å; C34-E38 PolarHBondContact O-N 3.46Å; C34-E38 VanDerWaalsContact O-N 3.14Å
35	K	78.9	Confident	67.6	Low	178 Å²	178	71.5 Å²	71.5	77%	0.774	38%	0.378	S	S	*	.	H	α-helix	trans	-56.5	-37.6	179.3	-66.3	-173.7	176.6	-177.1	0	114	L37 E38 S39	K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 2.92Å; K35-E38 PolarHBondContact O-N 3.19Å; K35-S39 PolarHBondContact O-N 3.21Å
36	E	78	Confident	70.3	Confident	95 Å²	95	67.7 Å²	67.7	44%	0.444	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-38.9	174.7	-67.9	-177.4	-176.7	0	0	112.1	C34 S39 L40 N551	C34-E36 VanDerWaalsContact C-N 3.29Å; C34-E36 PolarHBondContact O-N 2.96Å; E36-S39 PolarHBondContact O-N 3.31Å; E36-S39 PolarHBondContact O-OG 3.47Å; E36-L40 PolarHBondContact O-N 2.66Å; E36-N551 PolarHBondContact OE2-ND2 2.94Å
37	L	79.6	Confident	72.6	Confident	7 Å²	7	64 Å²	64	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-70.2	-38.3	-179.2	-171.8	64.6	0	0	0	111.1	F32 C34 K35 S39 L40 F41 F227 L228 R231	F32-L37 HydrophobicContact CB-CB 4.19Å; F32-L37 HydrophobicContact CB-CD2 3.94Å; F32-L37 HydrophobicContact CB-CG 4.25Å; F32-L37 HydrophobicContact CD1-CD2 3.84Å; F32-L37 HydrophobicContact CD2-CB 4.39Å; F32-L37 HydrophobicContact CD2-CD2 4.1Å; F32-L37 HydrophobicContact CD2-CG 3.87Å; F32-L37 HydrophobicContact CE1-CD2 4.4Å; F32-L37 HydrophobicContact CE2-CG 4.38Å; F32-L37 HydrophobicContact CG-CB 4.41Å; F32-L37 HydrophobicContact CG-CD2 3.68Å; F32-L37 HydrophobicContact CG-CG 3.96Å; C34-L37 HydrophobicContact CB-CB 4.01Å; C34-L37 WeakPolarHBondContact O-CB 3.42Å; C34-L37 PolarHBondContact O-N 3.46Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 2.92Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-L40 PolarHBondContact O-N 3.46Å; L37-F41 PolarHBondContact O-N 3.36Å; L37-F227 HydrophobicContact CD1-CE1 3.59Å; L37-F227 HydrophobicContact CD1-CZ 4.04Å; L37-F227 HydrophobicContact CG-CE1 4.08Å; L37-L228 HydrophobicContact CD2-CD2 4.05Å; L37-R231 VanDerWaalsContact CD2-NH1 3.31Å
38	E	83.7	Confident	74.7	Confident	11 Å²	11	62.1 Å²	62.1	5%	0.051	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-42.3	172.1	-166.2	69.1	-158.6	0	0	111.2	E31 F32 C34 K35 L40 F41 Q42 R224	E31-E38 HydrophobicContact CG-CB 4.07Å; E31-E38 HydrophobicContact CG-CG 3.53Å; F32-E38 WeakPolarHBondContact CD2-OE2 3.29Å; F32-E38 PolarHBondContact N-OE2 2.89Å; C34-E38 PolarHBondContact O-N 3.46Å; C34-E38 VanDerWaalsContact O-N 3.14Å; K35-E38 PolarHBondContact O-N 3.19Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-L40 PolarHBondContact O-N 3.34Å; E38-F41 PolarHBondContact O-N 3.36Å; E38-Q42 WeakPolarHBondContact O-CG 3.5Å; E38-Q42 PolarHBondContact O-N 3.15Å; E38-R224 IonicContact OE1-CZ 3.47Å; E38-R224 IonicContact OE1-NH1 3.36Å; E38-R224 PolarHBondContact OE1-NH1 3.35Å; E38-R224 VanDerWaalsContact OE1-NH1 3.16Å; E38-R224 IonicContact OE1-NH2 3.02Å; E38-R224 PolarHBondContact OE1-NH2 3.23Å; E38-R224 IonicContact OE2-CZ 3.99Å; E38-R224 IonicContact OE2-NH1 3.81Å; E38-R224 PolarHBondContact OE2-NH1 2.94Å; E38-R224 IonicContact OE2-NH2 3.04Å
39	S	82.1	Confident	76.9	Confident	51 Å²	51	59.9 Å²	59.9	36%	0.357	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-38	176.7	76.2	0	0	0	0	112.9	K35 E36 L37 Q42 N43	K35-S39 PolarHBondContact O-N 3.21Å; E36-S39 PolarHBondContact O-N 3.31Å; E36-S39 PolarHBondContact O-OG 3.47Å; L37-S39 VanDerWaalsContact C-N 3.34Å; S39-Q42 PolarHBondContact O-N 3.49Å; S39-N43 PolarHBondContact O-N 3.19Å; S39-N43 PolarHBondContact O-ND2 3.31Å
40	L	82.8	Confident	79	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-40	175.1	-73.7	171.1	0	0	0	112.2	E36 L37 E38 Q42 N43 Y44 F227 N551 I554 I558	E36-L40 PolarHBondContact O-N 2.66Å; L37-L40 PolarHBondContact O-N 3.46Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-L40 PolarHBondContact O-N 3.34Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-N43 PolarHBondContact O-N 3.09Å; L40-Y44 WeakPolarHBondContact O-CB 3.24Å; L40-Y44 PolarHBondContact O-N 3.14Å; L40-F227 HydrophobicContact CB-CZ 4.03Å; L40-N551 HydrophobicContact CD1-CB 3.7Å; L40-I554 HydrophobicContact CD1-CG2 4.4Å; L40-I558 HydrophobicContact CD2-CD1 4.5Å
41	F	84.6	Confident	80.4	Confident	11 Å²	11	52 Å²	52	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-38.3	175.6	177.1	-104.2	0	0	0	112.2	F32 L37 E38 Y44 N45 Q223 R224 F227	F32-F41 HydrophobicContact CD2-CB 4.38Å; F32-F41 HydrophobicContact CE2-CB 3.78Å; F32-F41 HydrophobicContact CE2-CD1 4.36Å; F32-F41 HydrophobicContact CE2-CD2 4.19Å; F32-F41 AromaticContact CE2-CG 3.86Å; F32-F41 HydrophobicContact CE2-CG 3.86Å; L37-F41 PolarHBondContact O-N 3.36Å; E38-F41 PolarHBondContact O-N 3.36Å; F41-Y44 WeakPolarHBondContact O-CB 3.48Å; F41-Y44 PolarHBondContact O-N 3.23Å; F41-N45 VanDerWaalsContact CE1-ND2 3.3Å; F41-N45 WeakPolarHBondContact CE1-ND2 3.44Å; F41-N45 WeakPolarHBondContact CE2-ND2 3.32Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.49Å; F41-N45 PolarHBondContact O-N 3.4Å; F41-N45 VanDerWaalsContact O-N 3.07Å; F41-N45 PolarHBondContact O-ND2 3.02Å; F41-Q223 HydrophobicContact CE2-CB 4.27Å; F41-Q223 HydrophobicContact CZ-CB 4.32Å; F41-R224 HydrophobicContact CE1-CG 4.01Å; F41-R224 HydrophobicContact CE2-CG 3.8Å; F41-R224 HydrophobicContact CZ-CG 3.47Å; F41-R224 VanDerWaalsContact CZ-CG 3.47Å; F41-F227 HydrophobicContact CB-CD1 4.41Å; F41-F227 HydrophobicContact CB-CE1 4.12Å; F41-F227 HydrophobicContact CB-CE2 4.46Å; F41-F227 HydrophobicContact CB-CZ 4.19Å; F41-F227 HydrophobicContact CD2-CB 4.02Å; F41-F227 HydrophobicContact CD2-CD1 4.04Å; F41-F227 HydrophobicContact CD2-CD2 4.1Å; F41-F227 AromaticContact CD2-CG 3.8Å; F41-F227 HydrophobicContact CD2-CG 3.8Å; F41-F227 HydrophobicContact CE2-CB 4.3Å
42	Q	83.1	Confident	81.4	Confident	71 Å²	71	47.2 Å²	47.2	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-44.6	173.8	-72.3	173.9	6.5	0	0	111.3	E38 S39 L40 Y44 N45 L46 V106	E38-Q42 WeakPolarHBondContact O-CG 3.5Å; E38-Q42 PolarHBondContact O-N 3.15Å; S39-Q42 PolarHBondContact O-N 3.49Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; Q42-Y44 PolarHBondContact O-N 2.92Å; Q42-N45 PolarHBondContact O-N 3.29Å; Q42-L46 PolarHBondContact O-N 3.31Å; Q42-V106 HydrophobicContact CB-CG1 4.29Å
43	N	81	Confident	82.2	Confident	72 Å²	72	46 Å²	46	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-38.4	175.8	-71.9	-18	0	0	0	112.6	S39 L40 N45 L46 V106 Q562	S39-N43 PolarHBondContact O-N 3.19Å; S39-N43 PolarHBondContact O-ND2 3.31Å; L40-N43 PolarHBondContact O-N 3.09Å; N43-N45 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 3.42Å; N43-L46 PolarHBondContact O-N 3.4Å; N43-V106 WeakPolarHBondContact OD1-CG2 3.48Å; N43-Q562 PolarHBondContact O-NE2 2.99Å
44	Y	81.5	Confident	83.2	Confident	32 Å²	32	41.1 Å²	41.1	13%	0.125	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-43.6	173.7	170.2	-105.1	0	0	0	111.8	L40 F41 Q42 F227 I558 D800 W803	L40-Y44 WeakPolarHBondContact O-CB 3.24Å; L40-Y44 PolarHBondContact O-N 3.14Å; F41-Y44 WeakPolarHBondContact O-CB 3.48Å; F41-Y44 PolarHBondContact O-N 3.23Å; Q42-Y44 PolarHBondContact O-N 2.92Å; Y44-F227 HydrophobicContact CD1-CD2 4.14Å; Y44-F227 HydrophobicContact CG-CD2 4.1Å; Y44-F227 HydrophobicContact CG-CE2 4.47Å; Y44-I558 HydrophobicContact CD2-CG1 4.47Å; Y44-D800 PolarHBondContact OH-OD1 2.89Å; Y44-W803 HydrophobicContact CD1-CZ3 4.21Å; Y44-W803 HydrophobicContact CD2-CE3 4.08Å; Y44-W803 AromaticContact CD2-CH2 3.78Å; Y44-W803 HydrophobicContact CD2-CH2 3.78Å; Y44-W803 AromaticContact CD2-CZ3 3.49Å; Y44-W803 HydrophobicContact CD2-CZ3 3.49Å; Y44-W803 VanDerWaalsContact CD2-CZ3 3.49Å; Y44-W803 HydrophobicContact CE1-CE3 4.34Å; Y44-W803 AromaticContact CE1-CZ3 3.9Å; Y44-W803 HydrophobicContact CE1-CZ3 3.9Å; Y44-W803 HydrophobicContact CE2-CD2 4.08Å; Y44-W803 AromaticContact CE2-CE3 3.26Å; Y44-W803 HydrophobicContact CE2-CE3 3.26Å; Y44-W803 AromaticContact CE2-CH2 3.84Å; Y44-W803 HydrophobicContact CE2-CH2 3.84Å; Y44-W803 AromaticContact CE2-CZ3 3.12Å; Y44-W803 HydrophobicContact CE2-CZ3 3.12Å; Y44-W803 HydrophobicContact CG-CH2 4.33Å; Y44-W803 HydrophobicContact CG-CZ3 4.03Å; Y44-W803 AromaticContact CZ-CE3 3.42Å; Y44-W803 VanDerWaalsContact CZ-CE3 3.42Å; Y44-W803 AromaticContact CZ-CZ3 3.36Å
45	N	81.6	Confident	83.9	Confident	1 Å²	1	43 Å²	43	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-83.4	-17.1	-176.9	-76.8	-54.7	0	0	0	114.8	F41 Q42 N43 K47 L48 E49 Q223	F41-N45 VanDerWaalsContact CE1-ND2 3.3Å; F41-N45 WeakPolarHBondContact CE1-ND2 3.44Å; F41-N45 WeakPolarHBondContact CE2-ND2 3.32Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.49Å; F41-N45 PolarHBondContact O-N 3.4Å; F41-N45 VanDerWaalsContact O-N 3.07Å; F41-N45 PolarHBondContact O-ND2 3.02Å; Q42-N45 PolarHBondContact O-N 3.29Å; N43-N45 VanDerWaalsContact C-N 3.31Å; N43-N45 PolarHBondContact O-N 3.42Å; N45-K47 PolarHBondContact O-N 3.39Å; N45-L48 CarbonylContact O-C 3.53Å; N45-L48 WeakPolarHBondContact O-CA 3.44Å; N45-L48 WeakPolarHBondContact O-CB 3.38Å; N45-L48 PolarHBondContact O-N 3.34Å; N45-E49 HydrophobicContact CB-CG 4.06Å; N45-E49 WeakPolarHBondContact O-CB 3.38Å; N45-E49 WeakPolarHBondContact O-CG 3.28Å; N45-E49 PolarHBondContact O-N 2.94Å; N45-Q223 PolarHBondContact OD1-NE2 3.09Å
46	L	83.3	Confident	84.6	Confident	22 Å²	22	34.5 Å²	34.5	12%	0.115	17%	0.174	C	C	.	.	H	α-helix	trans	-45.7	-54.4	-171.9	-177.8	100.4	0	0	0	113.7	Q42 N43 L48 E49 Q50 V106 L109	Q42-L46 PolarHBondContact O-N 3.31Å; N43-L46 PolarHBondContact O-N 3.4Å; L46-L48 PolarHBondContact O-N 2.9Å; L46-E49 PolarHBondContact O-N 3.43Å; L46-Q50 WeakPolarHBondContact O-CB 3.39Å; L46-Q50 PolarHBondContact O-N 3.47Å; L46-V106 HydrophobicContact CD1-CB 4Å; L46-V106 HydrophobicContact CD1-CG2 3.43Å; L46-V106 VanDerWaalsContact CD1-CG2 3.43Å; L46-L109 HydrophobicContact CD1-CD2 4.46Å
47	K	80	Confident	85.4	Confident	71 Å²	71	30 Å²	30	31%	0.309	15%	0.153	S	C	.	.	H	α-helix	trans	-64.9	-42	-177.6	-170.8	178.6	177	-170.8	0	111.3	N45 Q50 T51 Q562 D566	N45-K47 PolarHBondContact O-N 3.39Å; K47-Q50 PolarHBondContact O-N 3.2Å; K47-T51 WeakPolarHBondContact O-CG2 3.38Å; K47-T51 PolarHBondContact O-N 2.95Å; K47-Q562 HydrophobicContact CD-CG 4.49Å; K47-Q562 PolarHBondContact NZ-O 2.96Å; K47-D566 IonicContact NZ-OD2 3.5Å; K47-D566 PolarHBondContact NZ-OD2 2.78Å
48	L	80.1	Confident	86	Confident	36 Å²	36	31.6 Å²	31.6	19%	0.188	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-43.5	176.1	-70.4	170.2	0	0	0	111.2	N45 L46 T51 S52 L799	N45-L48 CarbonylContact O-C 3.53Å; N45-L48 WeakPolarHBondContact O-CA 3.44Å; N45-L48 WeakPolarHBondContact O-CB 3.38Å; N45-L48 PolarHBondContact O-N 3.34Å; L46-L48 PolarHBondContact O-N 2.9Å; L48-T51 PolarHBondContact O-N 3.37Å; L48-T51 PolarHBondContact O-OG1 3.42Å; L48-S52 WeakPolarHBondContact O-CB 3.45Å; L48-S52 PolarHBondContact O-N 3.3Å; L48-L799 HydrophobicContact CD2-CD1 4.13Å
49	E	85.9	Confident	86.5	Confident	39 Å²	39	31.4 Å²	31.4	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-42.3	176.3	-71.9	-174.3	165.8	0	0	111.7	N45 L46 T51 S52 T53 L109 P162	N45-E49 HydrophobicContact CB-CG 4.06Å; N45-E49 WeakPolarHBondContact O-CB 3.38Å; N45-E49 WeakPolarHBondContact O-CG 3.28Å; N45-E49 PolarHBondContact O-N 2.94Å; L46-E49 PolarHBondContact O-N 3.43Å; E49-T51 PolarHBondContact O-N 3.08Å; E49-S52 CarbonylContact O-C 3.53Å; E49-S52 WeakPolarHBondContact O-CA 3.43Å; E49-S52 VanDerWaalsContact O-CB 3.24Å; E49-S52 WeakPolarHBondContact O-CB 3.36Å; E49-S52 PolarHBondContact O-N 3.05Å; E49-S52 VanDerWaalsContact O-N 3.13Å; E49-T53 WeakPolarHBondContact O-CG2 3.41Å; E49-T53 PolarHBondContact O-N 3.31Å; E49-T53 PolarHBondContact O-OG1 3.14Å; E49-L109 HydrophobicContact CB-CD2 3.96Å; E49-P162 HydrophobicContact CB-CB 3.83Å; E49-P162 HydrophobicContact CB-CG 3.93Å; E49-P162 HydrophobicContact CG-CB 3.57Å; E49-P162 HydrophobicContact CG-CG 4.25Å
50	Q	88.2	Confident	87	Confident	29 Å²	29	29.1 Å²	29.1	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-47	174.5	-171.9	-178.8	7.6	0	0	111.4	L46 K47 S52 T53 L54 T99 V101 L109	L46-Q50 WeakPolarHBondContact O-CB 3.39Å; L46-Q50 PolarHBondContact O-N 3.47Å; K47-Q50 PolarHBondContact O-N 3.2Å; Q50-S52 VanDerWaalsContact C-N 3.28Å; Q50-S52 PolarHBondContact O-N 3.26Å; Q50-T53 VanDerWaalsContact C-OG1 3.31Å; Q50-T53 VanDerWaalsContact CA-OG1 3.31Å; Q50-T53 WeakPolarHBondContact CA-OG1 3.38Å; Q50-T53 PolarHBondContact O-N 3.12Å; Q50-T53 PolarHBondContact O-OG1 2.76Å; Q50-L54 WeakPolarHBondContact O-CG 3.45Å; Q50-L54 PolarHBondContact O-N 2.98Å; Q50-T99 HydrophobicContact CG-CG2 4.17Å; Q50-T99 PolarHBondContact NE2-O 3.45Å; Q50-V101 PolarHBondContact NE2-O 3.32Å; Q50-L109 HydrophobicContact CB-CD1 4.44Å; Q50-L109 HydrophobicContact CB-CD2 4.25Å
51	T	86.5	Confident	87.5	Confident	58 Å²	58	29.9 Å²	29.9	36%	0.356	16%	0.155	S	C	.	.	H	α-helix	trans	-64.5	-34	175.5	67.3	0	0	0	0	112.7	K47 L48 E49 K55	K47-T51 WeakPolarHBondContact O-CG2 3.38Å; K47-T51 PolarHBondContact O-N 2.95Å; L48-T51 PolarHBondContact O-N 3.37Å; L48-T51 PolarHBondContact O-OG1 3.42Å; E49-T51 PolarHBondContact O-N 3.08Å; T51-K55 WeakPolarHBondContact O-CG 3.38Å; T51-K55 PolarHBondContact O-N 3.15Å
52	S	88	Confident	87.9	Confident	12 Å²	12	34.8 Å²	34.8	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-45.1	174.7	-159.6	0	0	0	0	111.4	L48 E49 Q50 K55 A56 L160 Q792	L48-S52 WeakPolarHBondContact O-CB 3.45Å; L48-S52 PolarHBondContact O-N 3.3Å; E49-S52 CarbonylContact O-C 3.53Å; E49-S52 WeakPolarHBondContact O-CA 3.43Å; E49-S52 VanDerWaalsContact O-CB 3.24Å; E49-S52 WeakPolarHBondContact O-CB 3.36Å; E49-S52 PolarHBondContact O-N 3.05Å; E49-S52 VanDerWaalsContact O-N 3.13Å; Q50-S52 VanDerWaalsContact C-N 3.28Å; Q50-S52 PolarHBondContact O-N 3.26Å; S52-K55 PolarHBondContact O-N 2.84Å; S52-A56 PolarHBondContact O-N 3.11Å; S52-L160 CarbonylContact C-O 3.55Å; S52-L160 WeakPolarHBondContact CB-O 3.48Å; S52-L160 PolarHBondContact OG-O 2.93Å; S52-Q792 PolarHBondContact OG-NE2 3Å
53	T	91.1	Very high	88.3	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-40.7	177.9	48.2	0	0	0	0	112.6	E49 Q50 K55 A56 L57 T99 L109 V113 L161 P162	E49-T53 WeakPolarHBondContact O-CG2 3.41Å; E49-T53 PolarHBondContact O-N 3.31Å; E49-T53 PolarHBondContact O-OG1 3.14Å; Q50-T53 VanDerWaalsContact C-OG1 3.31Å; Q50-T53 VanDerWaalsContact CA-OG1 3.31Å; Q50-T53 WeakPolarHBondContact CA-OG1 3.38Å; Q50-T53 PolarHBondContact O-N 3.12Å; Q50-T53 PolarHBondContact O-OG1 2.76Å; T53-K55 VanDerWaalsContact C-N 3.33Å; T53-K55 PolarHBondContact O-N 2.9Å; T53-A56 PolarHBondContact O-N 3.49Å; T53-L57 WeakPolarHBondContact O-CB 3.41Å; T53-L57 WeakPolarHBondContact O-CG 3.35Å; T53-L57 PolarHBondContact O-N 3.2Å; T53-T99 VanDerWaalsContact OG1-CG2 3.3Å; T53-T99 WeakPolarHBondContact OG1-CG2 3.47Å; T53-L109 HydrophobicContact CG2-CD1 4.26Å; T53-V113 HydrophobicContact CG2-CG2 3.39Å; T53-L161 HydrophobicContact CG2-CD2 4.47Å; T53-P162 HydrophobicContact CG2-CG 3.48Å; T53-P162 VanDerWaalsContact CG2-CG 3.48Å
54	L	92.3	Very high	88.8	Confident	30 Å²	30	28 Å²	28	16%	0.157	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-42.2	176.2	-74.2	168	0	0	0	111.3	Q50 L57 A58 F96 T99 N100	Q50-L54 WeakPolarHBondContact O-CG 3.45Å; Q50-L54 PolarHBondContact O-N 2.98Å; L54-L57 PolarHBondContact O-N 2.93Å; L54-A58 WeakPolarHBondContact O-CB 3.49Å; L54-A58 PolarHBondContact O-N 3.43Å; L54-F96 HydrophobicContact CB-CE2 4.23Å; L54-F96 HydrophobicContact CD2-CD2 3.83Å; L54-F96 HydrophobicContact CD2-CE2 3.77Å; L54-F96 HydrophobicContact CD2-CG 4.3Å; L54-F96 HydrophobicContact CD2-CZ 4.19Å; L54-T99 HydrophobicContact CD2-CG2 3.88Å; L54-T99 HydrophobicContact CG-CG2 3.87Å; L54-N100 HydrophobicContact CD2-CB 4.13Å
55	K	90.6	Very high	89.2	Confident	60 Å²	60	28.3 Å²	28.3	26%	0.261	15%	0.152	S	C	.	.	H	α-helix	trans	-66	-42.1	175.6	-71.3	171.2	-179.5	175.3	0	112.2	T51 S52 T53 A58 V59 Q792	T51-K55 WeakPolarHBondContact O-CG 3.38Å; T51-K55 PolarHBondContact O-N 3.15Å; S52-K55 PolarHBondContact O-N 2.84Å; T53-K55 VanDerWaalsContact C-N 3.33Å; T53-K55 PolarHBondContact O-N 2.9Å; K55-A58 PolarHBondContact O-N 3.23Å; K55-V59 WeakPolarHBondContact O-CG2 3.41Å; K55-V59 PolarHBondContact O-N 3.33Å; K55-V59 VanDerWaalsContact O-N 3.11Å; K55-Q792 VanDerWaalsContact CD-OE1 3.24Å
56	A	92.5	Very high	89.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-48.7	175.4	0	0	0	0	0	111.5	S52 T53 A58 V59 L60 V156 L160 L161	S52-A56 PolarHBondContact O-N 3.11Å; T53-A56 PolarHBondContact O-N 3.49Å; A56-A58 VanDerWaalsContact C-N 3.35Å; A56-A58 PolarHBondContact O-N 3.49Å; A56-V59 PolarHBondContact O-N 3.31Å; A56-L60 WeakPolarHBondContact O-CG 3.28Å; A56-L60 PolarHBondContact O-N 3.43Å; A56-V156 HydrophobicContact CB-CG1 4.06Å; A56-L160 HydrophobicContact CB-CB 3.68Å; A56-L161 HydrophobicContact CB-CD2 3.68Å; A56-L161 HydrophobicContact CB-CG 4.04Å
57	L	94.2	Very high	89.7	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-40.4	177.4	-75.2	166.7	0	0	0	111.7	T53 L54 V59 L60 I61 F92 L95 F96 T116	T53-L57 WeakPolarHBondContact O-CB 3.41Å; T53-L57 WeakPolarHBondContact O-CG 3.35Å; T53-L57 PolarHBondContact O-N 3.2Å; L54-L57 PolarHBondContact O-N 2.93Å; L57-V59 VanDerWaalsContact C-N 3.34Å; L57-V59 PolarHBondContact O-N 2.99Å; L57-L60 PolarHBondContact O-N 2.94Å; L57-I61 WeakPolarHBondContact O-CB 3.47Å; L57-I61 WeakPolarHBondContact O-CD1 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.44Å; L57-I61 PolarHBondContact O-N 3.15Å; L57-F92 HydrophobicContact CD2-CB 4.38Å; L57-F92 HydrophobicContact CD2-CD1 4.09Å; L57-L95 HydrophobicContact CD1-CB 4.17Å; L57-L95 HydrophobicContact CD2-CB 4Å; L57-L95 HydrophobicContact CD2-CD1 4.46Å; L57-F96 HydrophobicContact CB-CB 4.32Å; L57-F96 HydrophobicContact CB-CD2 4.02Å; L57-F96 HydrophobicContact CD1-CB 4.42Å; L57-T116 HydrophobicContact CD2-CG2 3.62Å; L57-T116 HydrophobicContact CG-CG2 4.36Å
58	A	93.7	Very high	90.1	Very high	41 Å²	41	26.7 Å²	26.7	34%	0.339	15%	0.15	S	C	.	.	H	α-helix	trans	-59.8	-42	175.4	0	0	0	0	0	112.5	L54 K55 A56 F62 F96	L54-A58 WeakPolarHBondContact O-CB 3.49Å; L54-A58 PolarHBondContact O-N 3.43Å; K55-A58 PolarHBondContact O-N 3.23Å; A56-A58 VanDerWaalsContact C-N 3.35Å; A56-A58 PolarHBondContact O-N 3.49Å; A58-F62 WeakPolarHBondContact O-CB 3.31Å; A58-F62 PolarHBondContact O-N 3.48Å; A58-F96 HydrophobicContact CB-CE2 4.35Å
59	V	92.7	Very high	90.4	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.048	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-42	175.5	174.5	0	0	0	0	111.2	K55 A56 L57 F62 T63 V156 L160 A785 L788	K55-V59 WeakPolarHBondContact O-CG2 3.41Å; K55-V59 PolarHBondContact O-N 3.33Å; K55-V59 VanDerWaalsContact O-N 3.11Å; A56-V59 PolarHBondContact O-N 3.31Å; L57-V59 VanDerWaalsContact C-N 3.34Å; L57-V59 PolarHBondContact O-N 2.99Å; V59-F62 PolarHBondContact O-N 3.4Å; V59-T63 WeakPolarHBondContact O-CB 3.48Å; V59-T63 PolarHBondContact O-N 2.97Å; V59-T63 PolarHBondContact O-OG1 3.4Å; V59-V156 HydrophobicContact CG1-CG2 3.81Å; V59-L160 HydrophobicContact CG2-CD1 4.31Å; V59-A785 HydrophobicContact CG1-CB 4.12Å; V59-L788 HydrophobicContact CG2-CD1 3.68Å
60	L	93.1	Very high	90.1	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-67.9	-40.3	178.1	-67.4	172.1	0	0	0	112.6	A56 L57 T63 S64 F92 T116 S120 V153 V156	A56-L60 WeakPolarHBondContact O-CG 3.28Å; A56-L60 PolarHBondContact O-N 3.43Å; L57-L60 PolarHBondContact O-N 2.94Å; L60-T63 PolarHBondContact O-N 3.24Å; L60-S64 WeakPolarHBondContact O-CB 3.22Å; L60-S64 PolarHBondContact O-N 3.49Å; L60-S64 PolarHBondContact O-OG 3.36Å; L60-F92 HydrophobicContact CB-CD1 4.39Å; L60-F92 HydrophobicContact CB-CD2 3.91Å; L60-F92 HydrophobicContact CB-CE2 4.07Å; L60-F92 HydrophobicContact CB-CG 4.1Å; L60-F92 HydrophobicContact CB-CZ 4.4Å; L60-F92 HydrophobicContact CD1-CD1 4.26Å; L60-F92 HydrophobicContact CD1-CE1 3.99Å; L60-F92 HydrophobicContact CD1-CZ 4.26Å; L60-T116 HydrophobicContact CD1-CG2 3.89Å; L60-S120 WeakPolarHBondContact CD1-OG 3.46Å; L60-V153 HydrophobicContact CD2-CG2 4.2Å; L60-V156 HydrophobicContact CD2-CG1 4.45Å; L60-V156 HydrophobicContact CG-CG1 4.33Å
61	I	94.4	Very high	89.6	Confident	29 Å²	29	30.5 Å²	30.5	15%	0.149	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-50.3	173.6	-68.6	162.4	0	0	0	109.5	L57 T63 S64 A65 F92 L93 F96	L57-I61 WeakPolarHBondContact O-CB 3.47Å; L57-I61 WeakPolarHBondContact O-CD1 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.44Å; L57-I61 PolarHBondContact O-N 3.15Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-T63 PolarHBondContact O-N 3.16Å; I61-S64 PolarHBondContact O-N 2.91Å; I61-S64 PolarHBondContact O-OG 3Å; I61-S64 VanDerWaalsContact O-OG 3.09Å; I61-A65 WeakPolarHBondContact O-CB 3.35Å; I61-A65 PolarHBondContact O-N 2.97Å; I61-F92 HydrophobicContact CD1-CB 4.46Å; I61-F92 HydrophobicContact CG1-CB 3.58Å; I61-L93 HydrophobicContact CD1-CB 4.42Å; I61-L93 HydrophobicContact CD1-CD1 4.17Å; I61-F96 HydrophobicContact CD1-CB 3.74Å; I61-F96 HydrophobicContact CD1-CD2 4.21Å; I61-F96 HydrophobicContact CD1-CG 4.05Å
62	F	93.1	Very high	89.3	Confident	114 Å²	114	34.4 Å²	34.4	50%	0.5	19%	0.191	S	C	.	.	H	α-helix	trans	-62.8	-40.1	-179.4	-172.5	-107.4	0	0	0	111.9	A58 V59 T66 L781	A58-F62 WeakPolarHBondContact O-CB 3.31Å; A58-F62 PolarHBondContact O-N 3.48Å; V59-F62 PolarHBondContact O-N 3.4Å; F62-T66 HydrophobicContact CD1-CG2 4.43Å; F62-T66 HydrophobicContact CD2-CG2 4.37Å; F62-T66 HydrophobicContact CE1-CG2 4.09Å; F62-T66 HydrophobicContact CE2-CG2 4.04Å; F62-T66 HydrophobicContact CZ-CG2 3.88Å; F62-T66 WeakPolarHBondContact O-CB 3.45Å; F62-T66 VanDerWaalsContact O-CG2 3.24Å; F62-T66 WeakPolarHBondContact O-CG2 3.39Å; F62-T66 PolarHBondContact O-N 3.29Å; F62-T66 PolarHBondContact O-OG1 3.24Å; F62-L781 HydrophobicContact CD1-CD2 3.24Å; F62-L781 HydrophobicContact CE1-CD2 3.41Å; F62-L781 VanDerWaalsContact CE1-CD2 3.41Å; F62-L781 HydrophobicContact CG-CD2 4.45Å
63	T	90.5	Very high	88.8	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-49.5	176.1	-56	0	0	0	0	111.8	V59 L60 I61 T66 L67 F123 L152 L781	V59-T63 WeakPolarHBondContact O-CB 3.48Å; V59-T63 PolarHBondContact O-N 2.97Å; V59-T63 PolarHBondContact O-OG1 3.4Å; L60-T63 PolarHBondContact O-N 3.24Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-T63 PolarHBondContact O-N 3.16Å; T63-T66 PolarHBondContact O-OG1 2.91Å; T63-L67 HydrophobicContact CG2-CD1 4.09Å; T63-L67 VanDerWaalsContact O-CG 3.31Å; T63-L67 WeakPolarHBondContact O-CG 3.28Å; T63-L67 PolarHBondContact O-N 3.29Å; T63-L67 VanDerWaalsContact O-N 3.14Å; T63-F123 HydrophobicContact CG2-CZ 4.37Å; T63-L152 HydrophobicContact CG2-CD2 4.03Å; T63-L781 HydrophobicContact CG2-CD1 4.2Å
64	S	91.1	Very high	87.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.5	-37.4	-179.7	56.1	0	0	0	0	112.9	L60 I61 A68 C89	L60-S64 WeakPolarHBondContact O-CB 3.22Å; L60-S64 PolarHBondContact O-N 3.49Å; L60-S64 PolarHBondContact O-OG 3.36Å; I61-S64 PolarHBondContact O-N 2.91Å; I61-S64 PolarHBondContact O-OG 3Å; I61-S64 VanDerWaalsContact O-OG 3.09Å; S64-A68 WeakPolarHBondContact O-CB 3.42Å; S64-A68 PolarHBondContact O-N 3.43Å; S64-C89 WeakPolarHBondContact OG-CA 3.22Å
65	A	91.5	Very high	86.5	Confident	39 Å²	39	42.7 Å²	42.7	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-66.9	-43.4	176.3	0	0	0	0	0	112.5	I61 A68 L69	I61-A65 WeakPolarHBondContact O-CB 3.35Å; I61-A65 PolarHBondContact O-N 2.97Å; A65-A68 PolarHBondContact O-N 2.96Å; A65-L69 WeakPolarHBondContact O-CB 3.45Å; A65-L69 PolarHBondContact O-N 2.99Å
66	T	88.9	Confident	85	Confident	26 Å²	26	46.4 Å²	46.4	16%	0.16	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-40.1	177.7	48.9	0	0	0	0	111.7	F62 T63 L69 V70 L777	F62-T66 HydrophobicContact CD1-CG2 4.43Å; F62-T66 HydrophobicContact CD2-CG2 4.37Å; F62-T66 HydrophobicContact CE1-CG2 4.09Å; F62-T66 HydrophobicContact CE2-CG2 4.04Å; F62-T66 HydrophobicContact CZ-CG2 3.88Å; F62-T66 WeakPolarHBondContact O-CB 3.45Å; F62-T66 VanDerWaalsContact O-CG2 3.24Å; F62-T66 WeakPolarHBondContact O-CG2 3.39Å; F62-T66 PolarHBondContact O-N 3.29Å; F62-T66 PolarHBondContact O-OG1 3.24Å; T63-T66 PolarHBondContact O-OG1 2.91Å; T66-L69 PolarHBondContact O-N 3.21Å; T66-V70 WeakPolarHBondContact O-CB 3.35Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.28Å; T66-V70 PolarHBondContact O-N 3Å; T66-L777 HydrophobicContact CG2-CD1 4.43Å
67	L	86.1	Confident	83.5	Confident	12 Å²	12	49 Å²	49	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-43.4	174.8	-71.1	168.6	0	0	0	112.3	T63 L69 V70 E71 F123 W148 Q149	T63-L67 HydrophobicContact CG2-CD1 4.09Å; T63-L67 VanDerWaalsContact O-CG 3.31Å; T63-L67 WeakPolarHBondContact O-CG 3.28Å; T63-L67 PolarHBondContact O-N 3.29Å; T63-L67 VanDerWaalsContact O-N 3.14Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 3.3Å; L67-V70 PolarHBondContact O-N 2.93Å; L67-E71 WeakPolarHBondContact O-CG 3.48Å; L67-E71 PolarHBondContact O-N 3.41Å; L67-F123 HydrophobicContact CD1-CE2 4.36Å; L67-F123 HydrophobicContact CD1-CZ 3.76Å; L67-W148 HydrophobicContact CD2-CH2 4Å; L67-W148 HydrophobicContact CD2-CZ2 3.97Å; L67-Q149 HydrophobicContact CD1-CG 4.11Å
68	A	86.9	Confident	81.8	Confident	21 Å²	21	57 Å²	57	17%	0.174	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-38.8	175.5	0	0	0	0	0	112.3	S64 A65 L72 H85 P86	S64-A68 WeakPolarHBondContact O-CB 3.42Å; S64-A68 PolarHBondContact O-N 3.43Å; A65-A68 PolarHBondContact O-N 2.96Å; A68-L72 WeakPolarHBondContact O-CB 3.34Å; A68-L72 PolarHBondContact O-N 3.19Å; A68-H85 HydrophobicContact CB-CB 3.96Å; A68-P86 HydrophobicContact CB-CB 4.4Å
69	L	86.7	Confident	80.4	Confident	100 Å²	100	57.1 Å²	57.1	52%	0.524	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-44.2	176.3	-177.3	64.3	0	0	0	112	A65 T66 L67 E71 L72 L73	A65-L69 WeakPolarHBondContact O-CB 3.45Å; A65-L69 PolarHBondContact O-N 2.99Å; T66-L69 PolarHBondContact O-N 3.21Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 3.3Å; L69-E71 VanDerWaalsContact C-N 3.28Å; L69-E71 PolarHBondContact O-N 3.26Å; L69-L72 PolarHBondContact O-N 2.99Å; L69-L73 HydrophobicContact CD1-CD1 4.38Å; L69-L73 HydrophobicContact CG-CD1 4.19Å; L69-L73 VanDerWaalsContact O-CG 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 3.5Å; L69-L73 VanDerWaalsContact O-N 3.14Å
70	V	80.9	Confident	79.3	Confident	50 Å²	50	62.9 Å²	62.9	30%	0.303	36%	0.363	S	S	.	.	H	α-helix	trans	-59.3	-40.7	176.8	162.8	0	0	0	0	111.1	T66 L67 S74 I770 L777	T66-V70 WeakPolarHBondContact O-CB 3.35Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.28Å; T66-V70 PolarHBondContact O-N 3Å; L67-V70 PolarHBondContact O-N 2.93Å; V70-S74 WeakPolarHBondContact O-CB 3.5Å; V70-S74 PolarHBondContact O-N 3.37Å; V70-S74 PolarHBondContact O-OG 2.97Å; V70-I770 HydrophobicContact CG1-CG2 3.69Å; V70-L777 HydrophobicContact CG2-CD2 4.14Å
71	E	77.4	Confident	78.1	Confident	35 Å²	35	64.4 Å²	64.4	16%	0.164	37%	0.374	C	S	.	.	H	α-helix	trans	-71.4	-39.9	178	-72.4	-178.4	145.8	0	0	113.2	L67 L69 L73 S74 K82 H85	L67-E71 WeakPolarHBondContact O-CG 3.48Å; L67-E71 PolarHBondContact O-N 3.41Å; L69-E71 VanDerWaalsContact C-N 3.28Å; L69-E71 PolarHBondContact O-N 3.26Å; E71-L73 PolarHBondContact O-N 3.42Å; E71-S74 PolarHBondContact O-N 3.5Å; E71-S74 VanDerWaalsContact O-N 3.09Å; E71-K82 HydrophobicContact CB-CG 4.2Å; E71-K82 HydrophobicContact CG-CG 4.06Å; E71-K82 WeakPolarHBondContact OE1-CG 3.12Å; E71-K82 VanDerWaalsContact OE2-CA 3.27Å; E71-K82 WeakPolarHBondContact OE2-CA 3.31Å; E71-H85 IonicContact OE1-CD2 3.95Å; E71-H85 PolarHBondContact OE1-CD2 3.09Å; E71-H85 VanDerWaalsContact OE1-CD2 3.32Å; E71-H85 IonicContact OE1-NE2 2.7Å; E71-H85 PolarHBondContact OE1-NE2 3.37Å; E71-H85 IonicContact OE2-CD2 3.04Å; E71-H85 PolarHBondContact OE2-CD2 3.44Å; E71-H85 IonicContact OE2-CG 3.74Å; E71-H85 IonicContact OE2-NE2 2.7Å
72	L	79.3	Confident	77	Confident	140 Å²	140	65.3 Å²	65.3	73%	0.733	38%	0.377	S	S	*	.	H	α-helix	trans	-59	-38.2	175.3	-175.6	67.4	0	0	0	111.7	A68 L69 S74	A68-L72 WeakPolarHBondContact O-CB 3.34Å; A68-L72 PolarHBondContact O-N 3.19Å; L69-L72 PolarHBondContact O-N 2.99Å; L72-S74 VanDerWaalsContact C-N 3.32Å
73	L	77.1	Confident	76.3	Confident	118 Å²	118	61.7 Å²	61.7	62%	0.618	37%	0.372	S	S	*	.	H	α-helix	trans	-77.1	-15.8	178.9	-66.3	170.6	0	0	0	113.4	L69 E71 I770	L69-L73 HydrophobicContact CD1-CD1 4.38Å; L69-L73 HydrophobicContact CG-CD1 4.19Å; L69-L73 VanDerWaalsContact O-CG 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 3.5Å; L69-L73 VanDerWaalsContact O-N 3.14Å; E71-L73 PolarHBondContact O-N 3.42Å; L73-I770 HydrophobicContact CB-CD1 3.48Å; L73-I770 VanDerWaalsContact CB-CD1 3.48Å; L73-I770 WeakPolarHBondContact O-CD1 3.27Å
74	S	70.4	Confident	76	Confident	65 Å²	65	62.1 Å²	62.1	46%	0.455	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.3	-173.6	-61.9	0	0	0	0	114.9	V70 E71 L72	V70-S74 WeakPolarHBondContact O-CB 3.5Å; V70-S74 PolarHBondContact O-N 3.37Å; V70-S74 PolarHBondContact O-OG 2.97Å; E71-S74 PolarHBondContact O-N 3.5Å; E71-S74 VanDerWaalsContact O-N 3.09Å; L72-S74 VanDerWaalsContact C-N 3.32Å
75	G	65.4	Low	75.8	Confident	34 Å²	34	62.5 Å²	62.5	35%	0.351	38%	0.376	S	S	.	.			trans	103.5	168.9	171.5	0	0	0	0	0	116	S77	G75-S77 PolarHBondContact O-N 3.01Å
76	P	58.3	Low	75.7	Confident	139 Å²	139	63.4 Å²	63.4	90%	0.903	38%	0.379	S	S	*	.	S	Bend	trans	-82.3	9.7	-158.9	31.7	-35.8	0	0	0	117.2	L78	P76-L78 PolarHBondContact O-N 3.26Å
77	S	61.4	Low	75.8	Confident	54 Å²	54	66.1 Å²	66.1	38%	0.378	40%	0.395	S	S	.	.			trans	-71	114.1	176.8	64.4	0	0	0	0	110.8	G75 T79 K82	G75-S77 PolarHBondContact O-N 3.01Å; S77-T79 PolarHBondContact O-N 2.92Å; S77-K82 WeakPolarHBondContact O-CD 3.37Å; S77-K82 WeakPolarHBondContact O-CE 3.19Å; S77-K82 PolarHBondContact O-NZ 3.43Å; S77-K82 PolarHBondContact OG-NZ 3.25Å
78	L	58.5	Low	76.2	Confident	169 Å²	169	66.1 Å²	66.1	89%	0.885	40%	0.395	S	S	*	.			trans	-84	105.7	-177.2	-150.2	87.1	0	0	0	110	P76	P76-L78 PolarHBondContact O-N 3.26Å
79	T	65.8	Low	76.5	Confident	42 Å²	42	66.3 Å²	66.3	26%	0.258	40%	0.395	S	S	.	.			trans	-106.6	155.6	170.2	63.9	0	0	0	0	110.1	S77 S81 K82 G83	S77-T79 PolarHBondContact O-N 2.92Å; T79-S81 PolarHBondContact O-N 3.4Å; T79-K82 PolarHBondContact O-N 3.13Å; T79-K82 WeakPolarHBondContact OG1-CD 3.5Å; T79-K82 VanDerWaalsContact OG1-CG 3.24Å; T79-K82 WeakPolarHBondContact OG1-CG 3.49Å; T79-K82 PolarHBondContact OG1-N 3.48Å; T79-G83 PolarHBondContact O-N 3.24Å
80	I	69.2	Low	76.9	Confident	129 Å²	129	66.3 Å²	66.3	66%	0.662	40%	0.399	S	S	*	.	H	α-helix	trans	-57.8	-35.9	179.7	-63.9	171.8	0	0	0	111.1	S84 L126	I80-S84 PolarHBondContact O-N 3.4Å; I80-L126 HydrophobicContact CG2-CD2 4.43Å
81	S	67.3	Low	77.6	Confident	35 Å²	35	65.6 Å²	65.6	25%	0.245	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-46.1	173.2	-176.9	0	0	0	0	111.8	T79 G83 S84	T79-S81 PolarHBondContact O-N 3.4Å; S81-G83 VanDerWaalsContact C-N 3.32Å; S81-G83 PolarHBondContact O-N 3.18Å; S81-S84 WeakPolarHBondContact O-CB 3.43Å; S81-S84 PolarHBondContact O-N 3.03Å; S81-S84 PolarHBondContact O-OG 3.34Å
82	K	72.2	Confident	78.4	Confident	49 Å²	49	64 Å²	64	21%	0.213	39%	0.385	C	S	.	.	H	α-helix	trans	-64.5	-33	-176.8	-73.6	173	177.6	-170.7	0	114.1	E71 S77 T79 S84	E71-K82 HydrophobicContact CB-CG 4.2Å; E71-K82 HydrophobicContact CG-CG 4.06Å; E71-K82 WeakPolarHBondContact OE1-CG 3.12Å; E71-K82 VanDerWaalsContact OE2-CA 3.27Å; E71-K82 WeakPolarHBondContact OE2-CA 3.31Å; S77-K82 WeakPolarHBondContact O-CD 3.37Å; S77-K82 WeakPolarHBondContact O-CE 3.19Å; S77-K82 PolarHBondContact O-NZ 3.43Å; S77-K82 PolarHBondContact OG-NZ 3.25Å; T79-K82 PolarHBondContact O-N 3.13Å; T79-K82 WeakPolarHBondContact OG1-CD 3.5Å; T79-K82 VanDerWaalsContact OG1-CG 3.24Å; T79-K82 WeakPolarHBondContact OG1-CG 3.49Å; T79-K82 PolarHBondContact OG1-N 3.48Å; K82-S84 VanDerWaalsContact C-N 3.31Å
83	G	77.3	Confident	79.2	Confident	38 Å²	38	61.2 Å²	61.2	39%	0.392	37%	0.371	S	S	.	.	H	α-helix	trans	-73	-22	173.8	0	0	0	0	0	113.7	T79 S81 V87	T79-G83 PolarHBondContact O-N 3.24Å; S81-G83 VanDerWaalsContact C-N 3.32Å; S81-G83 PolarHBondContact O-N 3.18Å; G83-V87 WeakPolarHBondContact O-CG2 3.31Å
84	S	84.8	Confident	80	Confident	10 Å²	10	58.4 Å²	58.4	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-80.1	-35.7	-170.8	76.4	0	0	0	0	114.3	I80 S81 K82 V87 H88	I80-S84 PolarHBondContact O-N 3.4Å; S81-S84 WeakPolarHBondContact O-CB 3.43Å; S81-S84 PolarHBondContact O-N 3.03Å; S81-S84 PolarHBondContact O-OG 3.34Å; K82-S84 VanDerWaalsContact C-N 3.31Å; S84-V87 WeakPolarHBondContact O-CB 3.2Å; S84-V87 PolarHBondContact O-N 3.42Å; S84-H88 PolarHBondContact O-CD2 3.26Å; S84-H88 PolarHBondContact O-N 3.48Å
85	H	87.3	Confident	81.1	Confident	7 Å²	7	55.9 Å²	55.9	3%	0.032	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-46.8	-175.1	-62.7	-11.3	0	0	0	114.1	A68 E71 V87 H88 C89 F123	A68-H85 HydrophobicContact CB-CB 3.96Å; E71-H85 IonicContact OE1-CD2 3.95Å; E71-H85 PolarHBondContact OE1-CD2 3.09Å; E71-H85 VanDerWaalsContact OE1-CD2 3.32Å; E71-H85 IonicContact OE1-NE2 2.7Å; E71-H85 PolarHBondContact OE1-NE2 3.37Å; E71-H85 IonicContact OE2-CD2 3.04Å; E71-H85 PolarHBondContact OE2-CD2 3.44Å; E71-H85 IonicContact OE2-CG 3.74Å; E71-H85 IonicContact OE2-NE2 2.7Å; H85-V87 VanDerWaalsContact C-N 3.31Å; H85-V87 PolarHBondContact O-N 3.23Å; H85-H88 PolarHBondContact O-N 2.99Å; H85-C89 PolarHBondContact O-N 3.08Å; H85-F123 AromaticContact ND1-CE2 3.85Å
86	P	89.3	Confident	82.5	Confident	59 Å²	59	57.1 Å²	57.1	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-33.8	175.3	24.6	-33.7	0	0	0	112.5	A68 C89 V90	A68-P86 HydrophobicContact CB-CB 4.4Å; P86-C89 WeakPolarHBondContact O-CB 3.41Å; P86-C89 PolarHBondContact O-N 2.95Å; P86-V90 WeakPolarHBondContact O-CG2 3.31Å; P86-V90 PolarHBondContact O-N 3.48Å; P86-V90 VanDerWaalsContact O-N 3.1Å
87	V	91.3	Very high	84.2	Confident	83 Å²	83	55.7 Å²	55.7	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-47.4	176.5	177.2	0	0	0	0	110.7	G83 S84 H85 C89 V90 I91	G83-V87 WeakPolarHBondContact O-CG2 3.31Å; S84-V87 WeakPolarHBondContact O-CB 3.2Å; S84-V87 PolarHBondContact O-N 3.42Å; H85-V87 VanDerWaalsContact C-N 3.31Å; H85-V87 PolarHBondContact O-N 3.23Å; V87-C89 VanDerWaalsContact C-N 3.3Å; V87-C89 PolarHBondContact O-N 3.1Å; V87-V90 PolarHBondContact O-N 2.88Å; V87-I91 HydrophobicContact CG1-CD1 3.95Å; V87-I91 WeakPolarHBondContact O-CG1 3.19Å; V87-I91 PolarHBondContact O-N 2.88Å
88	H	92.8	Very high	85.7	Confident	11 Å²	11	56.8 Å²	56.8	5%	0.051	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-34.7	176.1	-75.7	-58.9	0	0	0	112.7	S84 H85 I91 F92 T122 F123	S84-H88 PolarHBondContact O-CD2 3.26Å; S84-H88 PolarHBondContact O-N 3.48Å; H85-H88 PolarHBondContact O-N 2.99Å; H88-I91 PolarHBondContact O-N 3.42Å; H88-F92 HydrophobicContact CB-CD2 4.43Å; H88-F92 HydrophobicContact CB-CE2 4.07Å; H88-F92 WeakPolarHBondContact O-CD2 3.36Å; H88-F92 WeakPolarHBondContact O-CG 3.46Å; H88-F92 PolarHBondContact O-N 3.44Å; H88-T122 PolarHBondContact CE1-OG1 3.14Å; H88-F123 HydrophobicContact CB-CD2 4Å; H88-F123 AromaticContact CD2-CD2 3.89Å
89	C	93.9	Very high	87.2	Confident	26 Å²	26	48.8 Å²	48.8	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-47.7	173.7	-175.1	0	0	0	0	111.7	S64 H85 P86 V87 I91 F92 L93	S64-C89 WeakPolarHBondContact OG-CA 3.22Å; H85-C89 PolarHBondContact O-N 3.08Å; P86-C89 WeakPolarHBondContact O-CB 3.41Å; P86-C89 PolarHBondContact O-N 2.95Å; V87-C89 VanDerWaalsContact C-N 3.3Å; V87-C89 PolarHBondContact O-N 3.1Å; C89-I91 PolarHBondContact O-N 3.06Å; C89-F92 PolarHBondContact O-N 3.43Å; C89-L93 VanDerWaalsContact O-CB 3.29Å; C89-L93 WeakPolarHBondContact O-CB 3.42Å; C89-L93 PolarHBondContact O-N 3.38Å
90	V	94.7	Very high	88.3	Confident	100 Å²	100	51.7 Å²	51.7	61%	0.606	30%	0.298	S	S	*	.	H	α-helix	trans	-62.6	-41.7	176.5	174.9	0	0	0	0	111.3	P86 V87 L93 S94	P86-V90 WeakPolarHBondContact O-CG2 3.31Å; P86-V90 PolarHBondContact O-N 3.48Å; P86-V90 VanDerWaalsContact O-N 3.1Å; V87-V90 PolarHBondContact O-N 2.88Å; V90-L93 PolarHBondContact O-N 3.21Å; V90-S94 WeakPolarHBondContact O-CB 3.45Å; V90-S94 PolarHBondContact O-N 2.8Å
91	I	95.3	Very high	89.2	Confident	35 Å²	35	49.1 Å²	49.1	18%	0.179	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-51.6	177.1	-67.8	167.6	0	0	0	110.7	V87 H88 C89 L93 S94 L95 F119	V87-I91 HydrophobicContact CG1-CD1 3.95Å; V87-I91 WeakPolarHBondContact O-CG1 3.19Å; V87-I91 PolarHBondContact O-N 2.88Å; H88-I91 PolarHBondContact O-N 3.42Å; C89-I91 PolarHBondContact O-N 3.06Å; I91-L93 VanDerWaalsContact C-N 3.3Å; I91-L93 PolarHBondContact O-N 2.87Å; I91-S94 PolarHBondContact O-N 2.89Å; I91-S94 VanDerWaalsContact O-N 3.17Å; I91-S94 PolarHBondContact O-OG 3.09Å; I91-L95 HydrophobicContact CG2-CD1 4.37Å; I91-L95 WeakPolarHBondContact O-CG 3.39Å; I91-L95 PolarHBondContact O-N 3.36Å; I91-F119 HydrophobicContact CD1-CD1 4.16Å; I91-F119 HydrophobicContact CD1-CE1 4.08Å; I91-F119 HydrophobicContact CG2-CB 4.2Å; I91-F119 HydrophobicContact CG2-CD1 4.06Å; I91-F119 HydrophobicContact CG2-CD2 3.37Å; I91-F119 HydrophobicContact CG2-CE1 4.25Å; I91-F119 HydrophobicContact CG2-CE2 3.54Å; I91-F119 HydrophobicContact CG2-CG 3.63Å; I91-F119 HydrophobicContact CG2-CZ 4Å
92	F	95.8	Very high	89.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-35.7	179.4	-64.7	-48.8	0	0	0	112.3	L57 L60 I61 H88 C89 L95 F96 T116 F119	L57-F92 HydrophobicContact CD2-CB 4.38Å; L57-F92 HydrophobicContact CD2-CD1 4.09Å; L60-F92 HydrophobicContact CB-CD1 4.39Å; L60-F92 HydrophobicContact CB-CD2 3.91Å; L60-F92 HydrophobicContact CB-CE2 4.07Å; L60-F92 HydrophobicContact CB-CG 4.1Å; L60-F92 HydrophobicContact CB-CZ 4.4Å; L60-F92 HydrophobicContact CD1-CD1 4.26Å; L60-F92 HydrophobicContact CD1-CE1 3.99Å; L60-F92 HydrophobicContact CD1-CZ 4.26Å; I61-F92 HydrophobicContact CD1-CB 4.46Å; I61-F92 HydrophobicContact CG1-CB 3.58Å; H88-F92 HydrophobicContact CB-CD2 4.43Å; H88-F92 HydrophobicContact CB-CE2 4.07Å; H88-F92 WeakPolarHBondContact O-CD2 3.36Å; H88-F92 WeakPolarHBondContact O-CG 3.46Å; H88-F92 PolarHBondContact O-N 3.44Å; C89-F92 PolarHBondContact O-N 3.43Å; F92-L95 PolarHBondContact O-N 3.44Å; F92-F96 WeakPolarHBondContact O-CB 3.4Å; F92-F96 PolarHBondContact O-N 2.94Å; F92-T116 HydrophobicContact CE1-CG2 4.48Å; F92-F119 HydrophobicContact CE1-CB 3.92Å; F92-F119 HydrophobicContact CZ-CB 4.33Å
93	L	95.1	Very high	89.6	Confident	83 Å²	83	62.5 Å²	62.5	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-41.7	173.9	-172.3	69	0	0	0	111.7	I61 C89 V90 I91 F96 I97	I61-L93 HydrophobicContact CD1-CB 4.42Å; I61-L93 HydrophobicContact CD1-CD1 4.17Å; C89-L93 VanDerWaalsContact O-CB 3.29Å; C89-L93 WeakPolarHBondContact O-CB 3.42Å; C89-L93 PolarHBondContact O-N 3.38Å; V90-L93 PolarHBondContact O-N 3.21Å; I91-L93 VanDerWaalsContact C-N 3.3Å; I91-L93 PolarHBondContact O-N 2.87Å; L93-F96 WeakPolarHBondContact O-CB 3.16Å; L93-F96 PolarHBondContact O-N 2.91Å; L93-I97 HydrophobicContact CG-CD1 4.39Å; L93-I97 WeakPolarHBondContact O-CG1 3.42Å; L93-I97 PolarHBondContact O-N 3.24Å
94	S	94.4	Very high	89.8	Confident	58 Å²	58	61.6 Å²	61.6	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-44.2	176.1	75.1	0	0	0	0	111.8	V90 I91 F96 I97 V98	V90-S94 WeakPolarHBondContact O-CB 3.45Å; V90-S94 PolarHBondContact O-N 2.8Å; I91-S94 PolarHBondContact O-N 2.89Å; I91-S94 VanDerWaalsContact O-N 3.17Å; I91-S94 PolarHBondContact O-OG 3.09Å; S94-F96 VanDerWaalsContact C-N 3.32Å; S94-F96 PolarHBondContact O-N 2.86Å; S94-I97 PolarHBondContact O-N 3.04Å; S94-V98 WeakPolarHBondContact O-CG2 3.37Å; S94-V98 PolarHBondContact O-N 2.92Å; S94-V98 VanDerWaalsContact O-N 3.11Å
95	L	94.3	Very high	89.7	Confident	13 Å²	13	67.2 Å²	67.2	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-36.2	175.9	-63.7	176.1	0	0	0	111.8	L57 I91 F92 V98 T99 L115 F119	L57-L95 HydrophobicContact CD1-CB 4.17Å; L57-L95 HydrophobicContact CD2-CB 4Å; L57-L95 HydrophobicContact CD2-CD1 4.46Å; I91-L95 HydrophobicContact CG2-CD1 4.37Å; I91-L95 WeakPolarHBondContact O-CG 3.39Å; I91-L95 PolarHBondContact O-N 3.36Å; F92-L95 PolarHBondContact O-N 3.44Å; L95-V98 PolarHBondContact O-N 3.23Å; L95-T99 WeakPolarHBondContact O-CB 3.43Å; L95-T99 PolarHBondContact O-N 2.68Å; L95-T99 PolarHBondContact O-OG1 3.25Å; L95-L115 HydrophobicContact CD1-CG 4.47Å; L95-L115 HydrophobicContact CD2-CD2 3.65Å; L95-L115 HydrophobicContact CD2-CG 4.2Å; L95-F119 HydrophobicContact CD1-CD2 4.05Å
96	F	94.9	Very high	89.4	Confident	59 Å²	59	68.6 Å²	68.6	26%	0.259	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-45.1	175.8	-178.6	-87.3	0	0	0	111.8	L54 L57 A58 I61 F92 L93 S94 T99 N100	L54-F96 HydrophobicContact CB-CE2 4.23Å; L54-F96 HydrophobicContact CD2-CD2 3.83Å; L54-F96 HydrophobicContact CD2-CE2 3.77Å; L54-F96 HydrophobicContact CD2-CG 4.3Å; L54-F96 HydrophobicContact CD2-CZ 4.19Å; L57-F96 HydrophobicContact CB-CB 4.32Å; L57-F96 HydrophobicContact CB-CD2 4.02Å; L57-F96 HydrophobicContact CD1-CB 4.42Å; A58-F96 HydrophobicContact CB-CE2 4.35Å; I61-F96 HydrophobicContact CD1-CB 3.74Å; I61-F96 HydrophobicContact CD1-CD2 4.21Å; I61-F96 HydrophobicContact CD1-CG 4.05Å; F92-F96 WeakPolarHBondContact O-CB 3.4Å; F92-F96 PolarHBondContact O-N 2.94Å; L93-F96 WeakPolarHBondContact O-CB 3.16Å; L93-F96 PolarHBondContact O-N 2.91Å; S94-F96 VanDerWaalsContact C-N 3.32Å; S94-F96 PolarHBondContact O-N 2.86Å; F96-T99 PolarHBondContact O-N 2.69Å; F96-N100 WeakPolarHBondContact O-CB 3.39Å; F96-N100 PolarHBondContact O-N 3.11Å; F96-N100 VanDerWaalsContact O-N 3.08Å
97	I	93.2	Very high	89.1	Confident	110 Å²	110	70 Å²	70	56%	0.564	37%	0.366	S	S	*	.	H	α-helix	trans	-62	-45.8	177.3	-66	164.9	0	0	0	110.6	L93 S94 T99 N100	L93-I97 HydrophobicContact CG-CD1 4.39Å; L93-I97 WeakPolarHBondContact O-CG1 3.42Å; L93-I97 PolarHBondContact O-N 3.24Å; S94-I97 PolarHBondContact O-N 3.04Å; I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 2.95Å; I97-N100 PolarHBondContact O-N 3.04Å
98	V	92.7	Very high	89	Confident	77 Å²	77	70 Å²	70	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-40.9	178.4	177.2	0	0	0	0	111.4	S94 L95 N100 V101 L104 I112	S94-V98 WeakPolarHBondContact O-CG2 3.37Å; S94-V98 PolarHBondContact O-N 2.92Å; S94-V98 VanDerWaalsContact O-N 3.11Å; L95-V98 PolarHBondContact O-N 3.23Å; V98-N100 VanDerWaalsContact C-N 3.26Å; V98-N100 PolarHBondContact O-N 3.4Å; V98-V101 WeakPolarHBondContact O-CB 3.31Å; V98-V101 WeakPolarHBondContact O-CG2 3.35Å; V98-V101 PolarHBondContact O-N 2.9Å; V98-L104 WeakPolarHBondContact O-CD1 3.45Å; V98-I112 HydrophobicContact CG1-CD1 3.71Å; V98-I112 HydrophobicContact CG1-CG1 4.43Å
99	T	89.9	Confident	88.7	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-68.1	-26.4	179.7	-50.7	0	0	0	0	112.5	Q50 T53 L54 L95 F96 I97 V101 L109 I112	Q50-T99 HydrophobicContact CG-CG2 4.17Å; Q50-T99 PolarHBondContact NE2-O 3.45Å; T53-T99 VanDerWaalsContact OG1-CG2 3.3Å; T53-T99 WeakPolarHBondContact OG1-CG2 3.47Å; L54-T99 HydrophobicContact CD2-CG2 3.88Å; L54-T99 HydrophobicContact CG-CG2 3.87Å; L95-T99 WeakPolarHBondContact O-CB 3.43Å; L95-T99 PolarHBondContact O-N 2.68Å; L95-T99 PolarHBondContact O-OG1 3.25Å; F96-T99 PolarHBondContact O-N 2.69Å; I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 2.95Å; T99-V101 PolarHBondContact O-N 3.17Å; T99-L109 HydrophobicContact CG2-CD1 4.2Å; T99-I112 WeakPolarHBondContact OG1-CG2 3.48Å
100	N	88.5	Confident	88.4	Confident	103 Å²	103	71.2 Å²	71.2	55%	0.551	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.6	-178.6	-159.7	11.4	0	0	0	113.3	L54 F96 I97 V98 K102	L54-N100 HydrophobicContact CD2-CB 4.13Å; F96-N100 WeakPolarHBondContact O-CB 3.39Å; F96-N100 PolarHBondContact O-N 3.11Å; F96-N100 VanDerWaalsContact O-N 3.08Å; I97-N100 PolarHBondContact O-N 3.04Å; V98-N100 VanDerWaalsContact C-N 3.26Å; V98-N100 PolarHBondContact O-N 3.4Å; N100-K102 PolarHBondContact O-N 2.91Å
101	V	87.9	Confident	88.2	Confident	76 Å²	76	72.8 Å²	72.8	46%	0.461	37%	0.365	S	S	.	.			trans	-67.9	133	174.7	175.5	0	0	0	0	110.1	Q50 V98 T99 Y103 L104	Q50-V101 PolarHBondContact NE2-O 3.32Å; V98-V101 WeakPolarHBondContact O-CB 3.31Å; V98-V101 WeakPolarHBondContact O-CG2 3.35Å; V98-V101 PolarHBondContact O-N 2.9Å; T99-V101 PolarHBondContact O-N 3.17Å; V101-Y103 VanDerWaalsContact C-N 3.28Å; V101-Y103 PolarHBondContact O-N 2.91Å; V101-L104 HydrophobicContact CB-CD1 3.82Å; V101-L104 HydrophobicContact CG1-CD1 4.42Å; V101-L104 WeakPolarHBondContact O-CD1 3.23Å
102	K	75.6	Confident	88	Confident	172 Å²	172	71.9 Å²	71.9	75%	0.748	36%	0.36	S	S	*	.	S	Bend	trans	-65.5	-25.8	-171.3	-164.5	176	-179.1	-178.2	0	114.3	N100	N100-K102 PolarHBondContact O-N 2.91Å
103	Y	73.9	Confident	87.8	Confident	193 Å²	193	71.9 Å²	71.9	76%	0.757	36%	0.36	S	S	*	.			trans	-119.1	85.2	-177.2	-60.8	-75.7	0	0	0	110.3	V101	V101-Y103 VanDerWaalsContact C-N 3.28Å; V101-Y103 PolarHBondContact O-N 2.91Å
104	L	80.9	Confident	87.6	Confident	18 Å²	18	71.1 Å²	71.1	9%	0.094	36%	0.356	C	S	.	.			trans	-107.4	132.6	172.1	-111	97.4	0	0	0	110.9	V98 V101 Q108 L109 I112	V98-L104 WeakPolarHBondContact O-CD1 3.45Å; V101-L104 HydrophobicContact CB-CD1 3.82Å; V101-L104 HydrophobicContact CG1-CD1 4.42Å; V101-L104 WeakPolarHBondContact O-CD1 3.23Å; L104-Q108 HydrophobicContact CD2-CB 4.14Å; L104-Q108 HydrophobicContact CG-CB 4.42Å; L104-L109 HydrophobicContact CD2-CB 3.99Å; L104-L109 HydrophobicContact CD2-CD1 4.15Å; L104-I112 HydrophobicContact CD2-CD1 3.59Å
105	Q	82.5	Confident	87.5	Confident	129 Å²	129	71.6 Å²	71.6	60%	0.603	35%	0.354	S	S	*	.			trans	-77.6	154.3	168.7	-65	-176.3	-10.3	0	0	110.9	T107 Q108 L109	Q105-T107 PolarHBondContact O-N 3.34Å; Q105-Q108 HydrophobicContact CB-CG 4.25Å; Q105-Q108 WeakPolarHBondContact O-CB 3.35Å; Q105-Q108 PolarHBondContact O-N 3.05Å; Q105-Q108 VanDerWaalsContact O-N 3.08Å; Q105-L109 PolarHBondContact O-N 3.45Å
106	V	81.2	Confident	87.5	Confident	36 Å²	36	71.1 Å²	71.1	22%	0.218	35%	0.351	C	S	.	.	H	α-helix	trans	-51.9	-43.4	177.2	-179.5	0	0	0	0	111.6	Q42 N43 L46 Q108 L109 Q110	Q42-V106 HydrophobicContact CB-CG1 4.29Å; N43-V106 WeakPolarHBondContact OD1-CG2 3.48Å; L46-V106 HydrophobicContact CD1-CB 4Å; L46-V106 HydrophobicContact CD1-CG2 3.43Å; L46-V106 VanDerWaalsContact CD1-CG2 3.43Å; V106-Q108 PolarHBondContact O-N 3.27Å; V106-L109 PolarHBondContact O-N 2.96Å; V106-Q110 PolarHBondContact O-N 3.17Å
107	T	83.5	Confident	87.4	Confident	89 Å²	89	68.7 Å²	68.7	55%	0.546	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-40.4	-179.4	49.9	0	0	0	0	112.5	Q105 Q110 Q111	Q105-T107 PolarHBondContact O-N 3.34Å; T107-Q110 PolarHBondContact O-N 2.69Å; T107-Q111 WeakPolarHBondContact O-CG 3.44Å; T107-Q111 PolarHBondContact O-N 3.4Å; T107-Q111 VanDerWaalsContact O-N 3.13Å
108	Q	87.5	Confident	87.5	Confident	83 Å²	83	68.3 Å²	68.3	39%	0.388	34%	0.34	S	S	.	.	H	α-helix	trans	-68.2	-42.3	177.9	-65.3	174.3	-39.1	0	0	111	L104 Q105 V106 Q110 Q111 I112	L104-Q108 HydrophobicContact CD2-CB 4.14Å; L104-Q108 HydrophobicContact CG-CB 4.42Å; Q105-Q108 HydrophobicContact CB-CG 4.25Å; Q105-Q108 WeakPolarHBondContact O-CB 3.35Å; Q105-Q108 PolarHBondContact O-N 3.05Å; Q105-Q108 VanDerWaalsContact O-N 3.08Å; V106-Q108 PolarHBondContact O-N 3.27Å; Q108-Q110 VanDerWaalsContact C-N 3.34Å; Q108-Q110 PolarHBondContact O-N 3.34Å; Q108-Q111 WeakPolarHBondContact O-CB 3.41Å; Q108-Q111 PolarHBondContact O-N 3.19Å; Q108-I112 WeakPolarHBondContact O-CG1 3.42Å; Q108-I112 PolarHBondContact O-N 3.13Å
109	L	87.6	Confident	87.5	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-43.5	176.9	-174.8	64.1	0	0	0	110.9	L46 E49 Q50 T53 T99 L104 Q105 V106 Q111 I112 V113	L46-L109 HydrophobicContact CD1-CD2 4.46Å; E49-L109 HydrophobicContact CB-CD2 3.96Å; Q50-L109 HydrophobicContact CB-CD1 4.44Å; Q50-L109 HydrophobicContact CB-CD2 4.25Å; T53-L109 HydrophobicContact CG2-CD1 4.26Å; T99-L109 HydrophobicContact CG2-CD1 4.2Å; L104-L109 HydrophobicContact CD2-CB 3.99Å; L104-L109 HydrophobicContact CD2-CD1 4.15Å; Q105-L109 PolarHBondContact O-N 3.45Å; V106-L109 PolarHBondContact O-N 2.96Å; L109-Q111 VanDerWaalsContact C-N 3.3Å; L109-Q111 PolarHBondContact O-N 3.31Å; L109-I112 PolarHBondContact O-N 3.13Å; L109-V113 HydrophobicContact CG-CG2 4.5Å; L109-V113 WeakPolarHBondContact O-CB 3.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.25Å; L109-V113 PolarHBondContact O-N 2.92Å
110	Q	87.4	Confident	87.7	Confident	57 Å²	57	67.3 Å²	67.3	27%	0.266	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-37.5	176.9	-169.8	64	43.6	0	0	112.5	V106 T107 Q108 V113 N114	V106-Q110 PolarHBondContact O-N 3.17Å; T107-Q110 PolarHBondContact O-N 2.69Å; Q108-Q110 VanDerWaalsContact C-N 3.34Å; Q108-Q110 PolarHBondContact O-N 3.34Å; Q110-V113 PolarHBondContact O-N 3.43Å; Q110-N114 PolarHBondContact NE2-OD1 3.02Å; Q110-N114 WeakPolarHBondContact O-CB 3.38Å; Q110-N114 PolarHBondContact O-N 3.43Å; Q110-N114 PolarHBondContact O-OD1 2.92Å
111	Q	89.7	Confident	87.9	Confident	134 Å²	134	65.1 Å²	65.1	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-64.8	-45.7	175.4	-74.5	173.5	-14.4	0	0	111.6	T107 Q108 L109 V113 N114 L115	T107-Q111 WeakPolarHBondContact O-CG 3.44Å; T107-Q111 PolarHBondContact O-N 3.4Å; T107-Q111 VanDerWaalsContact O-N 3.13Å; Q108-Q111 WeakPolarHBondContact O-CB 3.41Å; Q108-Q111 PolarHBondContact O-N 3.19Å; L109-Q111 VanDerWaalsContact C-N 3.3Å; L109-Q111 PolarHBondContact O-N 3.31Å; Q111-V113 VanDerWaalsContact C-N 3.29Å; Q111-V113 PolarHBondContact O-N 3.44Å; Q111-N114 PolarHBondContact O-N 3.49Å; Q111-L115 WeakPolarHBondContact O-CB 3.36Å; Q111-L115 PolarHBondContact O-N 3.43Å
112	I	91.6	Very high	88.1	Confident	15 Å²	15	63.8 Å²	63.8	8%	0.077	31%	0.307	C	S	.	.	H	α-helix	trans	-59.9	-42.9	176.3	-66.9	171	0	0	0	110.8	V98 T99 L104 Q108 L109 L115 T116	V98-I112 HydrophobicContact CG1-CD1 3.71Å; V98-I112 HydrophobicContact CG1-CG1 4.43Å; T99-I112 WeakPolarHBondContact OG1-CG2 3.48Å; L104-I112 HydrophobicContact CD2-CD1 3.59Å; Q108-I112 WeakPolarHBondContact O-CG1 3.42Å; Q108-I112 PolarHBondContact O-N 3.13Å; L109-I112 PolarHBondContact O-N 3.13Å; I112-L115 PolarHBondContact O-N 3.2Å; I112-T116 WeakPolarHBondContact O-CB 3.41Å; I112-T116 PolarHBondContact O-N 3.19Å; I112-T116 PolarHBondContact O-OG1 3.35Å
113	V	91.3	Very high	88.9	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-45.6	178.5	168.8	0	0	0	0	111.7	T53 L109 Q110 Q111 L115 T116 L117 P162 V163	T53-V113 HydrophobicContact CG2-CG2 3.39Å; L109-V113 HydrophobicContact CG-CG2 4.5Å; L109-V113 WeakPolarHBondContact O-CB 3.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.25Å; L109-V113 PolarHBondContact O-N 2.92Å; Q110-V113 PolarHBondContact O-N 3.43Å; Q111-V113 VanDerWaalsContact C-N 3.29Å; Q111-V113 PolarHBondContact O-N 3.44Å; V113-L115 VanDerWaalsContact C-N 3.32Å; V113-L115 PolarHBondContact O-N 3.49Å; V113-T116 WeakPolarHBondContact O-CB 3.48Å; V113-T116 PolarHBondContact O-N 3.03Å; V113-L117 PolarHBondContact O-N 3.48Å; V113-P162 HydrophobicContact CG1-CG 4.48Å; V113-P162 HydrophobicContact CG2-CG 3.78Å; V113-V163 HydrophobicContact CG1-CB 4.39Å; V113-V163 HydrophobicContact CG1-CG1 3.18Å
114	N	91.3	Very high	89.6	Confident	67 Å²	67	46.6 Å²	46.6	36%	0.358	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-39.4	176.5	-69.3	-9.7	0	0	0	111.4	Q110 Q111 L117 L118	Q110-N114 PolarHBondContact NE2-OD1 3.02Å; Q110-N114 WeakPolarHBondContact O-CB 3.38Å; Q110-N114 PolarHBondContact O-N 3.43Å; Q110-N114 PolarHBondContact O-OD1 2.92Å; Q111-N114 PolarHBondContact O-N 3.49Å; N114-L117 PolarHBondContact O-N 2.73Å; N114-L118 PolarHBondContact O-N 3Å
115	L	93.4	Very high	90	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.356	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-38.1	176.4	-171.7	59.2	0	0	0	111.8	L95 Q111 I112 V113 L118 F119	L95-L115 HydrophobicContact CD1-CG 4.47Å; L95-L115 HydrophobicContact CD2-CD2 3.65Å; L95-L115 HydrophobicContact CD2-CG 4.2Å; Q111-L115 WeakPolarHBondContact O-CB 3.36Å; Q111-L115 PolarHBondContact O-N 3.43Å; I112-L115 PolarHBondContact O-N 3.2Å; V113-L115 VanDerWaalsContact C-N 3.32Å; V113-L115 PolarHBondContact O-N 3.49Å; L115-L118 HydrophobicContact CD1-CD2 4.38Å; L115-L118 PolarHBondContact O-N 3.24Å; L115-F119 HydrophobicContact CD1-CD2 3.86Å; L115-F119 HydrophobicContact CD1-CE2 3.26Å; L115-F119 HydrophobicContact CD1-CZ 3.83Å; L115-F119 HydrophobicContact CD2-CE2 4.03Å; L115-F119 HydrophobicContact CG-CD2 3.79Å; L115-F119 HydrophobicContact CG-CE2 3.41Å; L115-F119 VanDerWaalsContact CG-CE2 3.41Å; L115-F119 HydrophobicContact CG-CZ 4.41Å; L115-F119 WeakPolarHBondContact O-CD2 3.25Å; L115-F119 PolarHBondContact O-N 3.27Å
116	T	93.5	Very high	90.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-47.2	173.5	-55.9	0	0	0	0	110.6	L57 L60 F92 I112 V113 L118 F119 S120 L161	L57-T116 HydrophobicContact CD2-CG2 3.62Å; L57-T116 HydrophobicContact CG-CG2 4.36Å; L60-T116 HydrophobicContact CD1-CG2 3.89Å; F92-T116 HydrophobicContact CE1-CG2 4.48Å; I112-T116 WeakPolarHBondContact O-CB 3.41Å; I112-T116 PolarHBondContact O-N 3.19Å; I112-T116 PolarHBondContact O-OG1 3.35Å; V113-T116 WeakPolarHBondContact O-CB 3.48Å; V113-T116 PolarHBondContact O-N 3.03Å; T116-L118 VanDerWaalsContact C-N 3.33Å; T116-L118 PolarHBondContact O-N 2.89Å; T116-F119 PolarHBondContact O-N 3.27Å; T116-S120 WeakPolarHBondContact O-CB 3.48Å; T116-S120 PolarHBondContact O-N 2.9Å; T116-S120 PolarHBondContact O-OG 3.1Å; T116-L161 HydrophobicContact CG2-CD1 4.21Å; T116-L161 HydrophobicContact CG2-CD2 4.08Å
117	L	93.5	Very high	90.4	Very high	9 Å²	9	44 Å²	44	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-57.4	-44.8	174.3	-84.9	-178.3	0	0	0	112.5	V113 N114 S120 F121 A157 L161 V163 L167 F171	V113-L117 PolarHBondContact O-N 3.48Å; N114-L117 PolarHBondContact O-N 2.73Å; L117-S120 PolarHBondContact O-N 3.26Å; L117-F121 PolarHBondContact O-N 3.07Å; L117-A157 HydrophobicContact CD2-CB 3.89Å; L117-L161 HydrophobicContact CD2-CD1 3.79Å; L117-L161 HydrophobicContact CG-CD1 4.09Å; L117-V163 HydrophobicContact CD1-CB 4.03Å; L117-V163 HydrophobicContact CD1-CG1 3.31Å; L117-V163 HydrophobicContact CD1-CG2 4.48Å; L117-V163 HydrophobicContact CD2-CG1 4.39Å; L117-V163 HydrophobicContact CG-CG1 3.78Å; L117-L167 HydrophobicContact CD1-CD2 3.59Å; L117-L167 HydrophobicContact CD1-CG 3.8Å; L117-F171 HydrophobicContact CD2-CB 4.43Å; L117-F171 HydrophobicContact CD2-CD1 4.12Å; L117-F171 HydrophobicContact CD2-CD2 3.94Å; L117-F171 HydrophobicContact CD2-CE1 4.37Å; L117-F171 HydrophobicContact CD2-CE2 4.18Å; L117-F171 HydrophobicContact CD2-CG 3.9Å; L117-F171 HydrophobicContact CD2-CZ 4.4Å; L117-F171 WeakPolarHBondContact O-CE2 3.49Å
118	L	93.7	Very high	90.4	Very high	102 Å²	102	40.1 Å²	40.1	53%	0.534	20%	0.199	S	C	.	.	H	α-helix	trans	-60	-48.4	179.5	-179.9	65.3	0	0	0	111.2	N114 L115 T116 S120 F121 T122	N114-L118 PolarHBondContact O-N 3Å; L115-L118 HydrophobicContact CD1-CD2 4.38Å; L115-L118 PolarHBondContact O-N 3.24Å; T116-L118 VanDerWaalsContact C-N 3.33Å; T116-L118 PolarHBondContact O-N 2.89Å; L118-S120 VanDerWaalsContact C-N 3.35Å; L118-S120 PolarHBondContact O-N 2.89Å; L118-F121 WeakPolarHBondContact O-CB 3.37Å; L118-F121 PolarHBondContact O-N 3.17Å; L118-T122 PolarHBondContact O-N 3.27Å; L118-T122 VanDerWaalsContact O-N 3.11Å
119	F	94.2	Very high	90	Very high	54 Å²	54	36.3 Å²	36.3	24%	0.237	18%	0.181	C	C	.	.	H	α-helix	trans	-70.3	-31.1	179	-69.4	-56.3	0	0	0	113	I91 F92 L95 L115 T116 F121 T122 F123	I91-F119 HydrophobicContact CD1-CD1 4.16Å; I91-F119 HydrophobicContact CD1-CE1 4.08Å; I91-F119 HydrophobicContact CG2-CB 4.2Å; I91-F119 HydrophobicContact CG2-CD1 4.06Å; I91-F119 HydrophobicContact CG2-CD2 3.37Å; I91-F119 HydrophobicContact CG2-CE1 4.25Å; I91-F119 HydrophobicContact CG2-CE2 3.54Å; I91-F119 HydrophobicContact CG2-CG 3.63Å; I91-F119 HydrophobicContact CG2-CZ 4Å; F92-F119 HydrophobicContact CE1-CB 3.92Å; F92-F119 HydrophobicContact CZ-CB 4.33Å; L95-F119 HydrophobicContact CD1-CD2 4.05Å; L115-F119 HydrophobicContact CD1-CD2 3.86Å; L115-F119 HydrophobicContact CD1-CE2 3.26Å; L115-F119 HydrophobicContact CD1-CZ 3.83Å; L115-F119 HydrophobicContact CD2-CE2 4.03Å; L115-F119 HydrophobicContact CG-CD2 3.79Å; L115-F119 HydrophobicContact CG-CE2 3.41Å; L115-F119 VanDerWaalsContact CG-CE2 3.41Å; L115-F119 HydrophobicContact CG-CZ 4.41Å; L115-F119 WeakPolarHBondContact O-CD2 3.25Å; L115-F119 PolarHBondContact O-N 3.27Å; T116-F119 PolarHBondContact O-N 3.27Å; F119-F121 VanDerWaalsContact C-N 3.32Å; F119-T122 VanDerWaalsContact CA-OG1 3.28Å; F119-T122 WeakPolarHBondContact CA-OG1 3.36Å; F119-T122 PolarHBondContact O-N 3.06Å; F119-T122 PolarHBondContact O-OG1 3.42Å; F119-F123 WeakPolarHBondContact O-CB 3.32Å; F119-F123 PolarHBondContact O-N 2.88Å
120	S	92.8	Very high	89.4	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-34.8	170.2	-66.1	0	0	0	0	112.6	L60 T116 L117 L118 S124	L60-S120 WeakPolarHBondContact CD1-OG 3.46Å; T116-S120 WeakPolarHBondContact O-CB 3.48Å; T116-S120 PolarHBondContact O-N 2.9Å; T116-S120 PolarHBondContact O-OG 3.1Å; L117-S120 PolarHBondContact O-N 3.26Å; L118-S120 VanDerWaalsContact C-N 3.35Å; L118-S120 PolarHBondContact O-N 2.89Å; S120-S124 WeakPolarHBondContact O-CB 3.45Å; S120-S124 PolarHBondContact O-N 3.38Å; S120-S124 PolarHBondContact O-OG 3.4Å
121	F	93.4	Very high	88.1	Confident	56 Å²	56	41.4 Å²	41.4	25%	0.246	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-48.1	173.3	178.3	-101.8	0	0	0	110.7	L117 L118 F119 F123 S124 F125 F171 M174 V175	L117-F121 PolarHBondContact O-N 3.07Å; L118-F121 WeakPolarHBondContact O-CB 3.37Å; L118-F121 PolarHBondContact O-N 3.17Å; F119-F121 VanDerWaalsContact C-N 3.32Å; F121-F123 VanDerWaalsContact C-N 3.31Å; F121-F123 PolarHBondContact O-N 3.28Å; F121-S124 PolarHBondContact O-N 2.92Å; F121-F125 WeakPolarHBondContact O-CB 3.33Å; F121-F125 PolarHBondContact O-N 3.39Å; F121-F171 HydrophobicContact CB-CD2 4.29Å; F121-F171 HydrophobicContact CB-CE2 3.79Å; F121-M174 HydrophobicContact CE2-CB 4Å; F121-V175 HydrophobicContact CD2-CG2 3.85Å; F121-V175 HydrophobicContact CE2-CG2 4.36Å
122	T	91.6	Very high	86.3	Confident	49 Å²	49	42.4 Å²	42.4	30%	0.301	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-39.6	177.8	52.9	0	0	0	0	112.2	H88 L118 F119 F125 L126	H88-T122 PolarHBondContact CE1-OG1 3.14Å; L118-T122 PolarHBondContact O-N 3.27Å; L118-T122 VanDerWaalsContact O-N 3.11Å; F119-T122 VanDerWaalsContact CA-OG1 3.28Å; F119-T122 WeakPolarHBondContact CA-OG1 3.36Å; F119-T122 PolarHBondContact O-N 3.06Å; F119-T122 PolarHBondContact O-OG1 3.42Å; T122-F125 PolarHBondContact O-N 2.9Å; T122-L126 WeakPolarHBondContact O-CB 3.47Å; T122-L126 VanDerWaalsContact O-CG 3.28Å; T122-L126 WeakPolarHBondContact O-CG 3.33Å; T122-L126 PolarHBondContact O-N 3.02Å
123	F	91.5	Very high	84.2	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-46.4	174.9	172.6	-102.1	0	0	0	111.2	T63 L67 H85 H88 F119 F121 F125 L126 C127 V153	T63-F123 HydrophobicContact CG2-CZ 4.37Å; L67-F123 HydrophobicContact CD1-CE2 4.36Å; L67-F123 HydrophobicContact CD1-CZ 3.76Å; H85-F123 AromaticContact ND1-CE2 3.85Å; H88-F123 HydrophobicContact CB-CD2 4Å; H88-F123 AromaticContact CD2-CD2 3.89Å; F119-F123 WeakPolarHBondContact O-CB 3.32Å; F119-F123 PolarHBondContact O-N 2.88Å; F121-F123 VanDerWaalsContact C-N 3.31Å; F121-F123 PolarHBondContact O-N 3.28Å; F123-F125 PolarHBondContact O-N 3.3Å; F123-L126 PolarHBondContact O-N 3.33Å; F123-C127 PolarHBondContact O-N 2.9Å; F123-C127 VanDerWaalsContact O-N 3.11Å; F123-C127 PolarHBondContact O-SG 3.42Å; F123-V153 HydrophobicContact CD1-CG2 3.92Å; F123-V153 HydrophobicContact CE1-CG2 3.87Å
124	S	89.8	Confident	81.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-41.2	177.7	-64.1	0	0	0	0	112.2	S120 F121 L126 C127 C128 L150 V153	S120-S124 WeakPolarHBondContact O-CB 3.45Å; S120-S124 PolarHBondContact O-N 3.38Å; S120-S124 PolarHBondContact O-OG 3.4Å; F121-S124 PolarHBondContact O-N 2.92Å; S124-L126 PolarHBondContact O-N 2.91Å; S124-C127 PolarHBondContact O-N 2.93Å; S124-C128 PolarHBondContact O-SG 3.45Å; S124-C128 VanDerWaalsContact O-SG 3.41Å; S124-L150 WeakPolarHBondContact O-CD1 3.42Å; S124-V153 WeakPolarHBondContact OG-CG1 3.25Å
125	F	88.9	Confident	79.4	Confident	80 Å²	80	54.3 Å²	54.3	35%	0.351	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.9	-174.6	-106.9	0	0	0	111.4	F121 T122 F123 C127 C128 F130 V182	F121-F125 WeakPolarHBondContact O-CB 3.33Å; F121-F125 PolarHBondContact O-N 3.39Å; T122-F125 PolarHBondContact O-N 2.9Å; F123-F125 PolarHBondContact O-N 3.3Å; F125-C127 VanDerWaalsContact C-N 3.31Å; F125-C127 PolarHBondContact O-N 3.49Å; F125-C128 WeakPolarHBondContact O-CB 3.17Å; F125-C128 PolarHBondContact O-N 3.45Å; F125-C128 VanDerWaalsContact O-N 3.14Å; F125-C128 PolarHBondContact O-SG 3.12Å; F125-C128 VanDerWaalsContact O-SG 3.39Å; F125-F130 AromaticContact CD1-CZ 4Å; F125-F130 HydrophobicContact CD1-CZ 4Å; F125-F130 HydrophobicContact CD2-CZ 4.46Å; F125-F130 HydrophobicContact CE1-CE1 4.29Å; F125-F130 HydrophobicContact CE1-CE2 4.41Å; F125-F130 AromaticContact CE1-CZ 3.55Å; F125-F130 HydrophobicContact CE1-CZ 3.55Å; F125-F130 HydrophobicContact CE2-CZ 4.06Å; F125-F130 HydrophobicContact CG-CZ 4.44Å; F125-F130 HydrophobicContact CZ-CE1 4.03Å; F125-F130 AromaticContact CZ-CZ 3.59Å; F125-F130 HydrophobicContact CZ-CZ 3.59Å; F125-F130 WeakPolarHBondContact O-CE2 3.38Å; F125-V182 HydrophobicContact CE2-CG2 4.43Å
126	L	87.1	Confident	76.9	Confident	43 Å²	43	54.9 Å²	54.9	23%	0.225	33%	0.33	C	S	.	.	H	α-helix	trans	-71.3	-22.2	180	-68.9	170.2	0	0	0	113.9	I80 T122 F123 S124 C128	I80-L126 HydrophobicContact CG2-CD2 4.43Å; T122-L126 WeakPolarHBondContact O-CB 3.47Å; T122-L126 VanDerWaalsContact O-CG 3.28Å; T122-L126 WeakPolarHBondContact O-CG 3.33Å; T122-L126 PolarHBondContact O-N 3.02Å; F123-L126 PolarHBondContact O-N 3.33Å; S124-L126 PolarHBondContact O-N 2.91Å; L126-C128 PolarHBondContact O-N 3.06Å
127	C	85	Confident	74.5	Confident	7 Å²	7	62.7 Å²	62.7	5%	0.047	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.1	170.8	-69.5	0	0	0	0	114	F123 S124 F125 G146 Q149 L150	F123-C127 PolarHBondContact O-N 2.9Å; F123-C127 VanDerWaalsContact O-N 3.11Å; F123-C127 PolarHBondContact O-SG 3.42Å; S124-C127 PolarHBondContact O-N 2.93Å; F125-C127 VanDerWaalsContact C-N 3.31Å; F125-C127 PolarHBondContact O-N 3.49Å; C127-G146 WeakPolarHBondContact O-CA 3.29Å; C127-Q149 HydrophobicContact CB-CB 4.43Å; C127-L150 HydrophobicContact CB-CD1 4.07Å
128	C	84.4	Confident	72.2	Confident	7 Å²	7	69 Å²	69	5%	0.047	40%	0.4	C	S	.	.	S	Bend	trans	-71.6	154.3	179.1	-65.4	0	0	0	0	112.1	S124 F125 L126 F130 V182	S124-C128 PolarHBondContact O-SG 3.45Å; S124-C128 VanDerWaalsContact O-SG 3.41Å; F125-C128 WeakPolarHBondContact O-CB 3.17Å; F125-C128 PolarHBondContact O-N 3.45Å; F125-C128 VanDerWaalsContact O-N 3.14Å; F125-C128 PolarHBondContact O-SG 3.12Å; F125-C128 VanDerWaalsContact O-SG 3.39Å; L126-C128 PolarHBondContact O-N 3.06Å; C128-F130 HydrophobicContact CB-CE2 4.14Å; C128-F130 HydrophobicContact CB-CZ 4.37Å; C128-F130 WeakPolarHBondContact O-CD2 3.31Å; C128-F130 PolarHBondContact O-N 3.28Å; C128-V182 HydrophobicContact CB-CB 4.18Å; C128-V182 HydrophobicContact CB-CG1 3.9Å; C128-V182 HydrophobicContact CB-CG2 4.28Å
129	P	77.8	Confident	70.1	Confident	2 Å²	2	69 Å²	69	1%	0.013	41%	0.407	C	S	.	.			trans	-77.9	78.8	-175.1	30.8	-34.6	0	0	0	112.4	Q145 V182 S186	P129-Q145 HydrophobicContact CB-CB 4.33Å; P129-V182 HydrophobicContact CG-CG1 4.36Å; P129-S186 WeakPolarHBondContact O-CB 3.45Å; P129-S186 PolarHBondContact O-OG 3.05Å
130	F	75.4	Confident	68.1	Low	86 Å²	86	71.8 Å²	71.8	38%	0.377	43%	0.43	S	S	.	.			trans	-74	140.9	173.5	-65.1	-75.4	0	0	0	112.2	F125 C128 V182	F125-F130 AromaticContact CD1-CZ 4Å; F125-F130 HydrophobicContact CD1-CZ 4Å; F125-F130 HydrophobicContact CD2-CZ 4.46Å; F125-F130 HydrophobicContact CE1-CE1 4.29Å; F125-F130 HydrophobicContact CE1-CE2 4.41Å; F125-F130 AromaticContact CE1-CZ 3.55Å; F125-F130 HydrophobicContact CE1-CZ 3.55Å; F125-F130 HydrophobicContact CE2-CZ 4.06Å; F125-F130 HydrophobicContact CG-CZ 4.44Å; F125-F130 HydrophobicContact CZ-CE1 4.03Å; F125-F130 AromaticContact CZ-CZ 3.59Å; F125-F130 HydrophobicContact CZ-CZ 3.59Å; F125-F130 WeakPolarHBondContact O-CE2 3.38Å; C128-F130 HydrophobicContact CB-CE2 4.14Å; C128-F130 HydrophobicContact CB-CZ 4.37Å; C128-F130 WeakPolarHBondContact O-CD2 3.31Å; C128-F130 PolarHBondContact O-N 3.28Å; F130-V182 HydrophobicContact CD1-CG1 4.19Å; F130-V182 HydrophobicContact CE1-CG1 4.22Å; F130-V182 HydrophobicContact CE1-CG2 3.87Å; F130-V182 HydrophobicContact CZ-CG2 4.21Å
131	S	59.6	Low	66.6	Low	83 Å²	83	73.3 Å²	73.3	58%	0.58	44%	0.439	S	S	*	.			trans	-87.5	-1.6	174.8	56.9	0	0	0	0	113.9	G133	S131-G133 PolarHBondContact O-N 3.19Å
132	L	52.5	Low	65.5	Low	154 Å²	154	71.7 Å²	71.7	81%	0.806	43%	0.434	S	S	*	.			trans	-87.6	68.5	-171.2	-137.2	83.7	0	0	0	111.9
133	G	46.7	Very low	64.8	Low	51 Å²	51	70.2 Å²	70.2	53%	0.526	43%	0.426	S	S	.	.			trans	-112.4	136.8	168.9	0	0	0	0	0	110.8	S131	S131-G133 PolarHBondContact O-N 3.19Å
134	A	39.6	Very low	64	Low	102 Å²	102	72.2 Å²	72.2	84%	0.843	44%	0.435	S	S	*	.	S	Bend	trans	-53.6	136	-172	0	0	0	0	0	114.3
135	M	43.9	Very low	63.6	Low	181 Å²	181	75.9 Å²	75.9	89%	0.892	45%	0.452	S	S	*	.	S	Bend	trans	44.6	74.3	168.4	-71.1	-129.2	-73.6	0	0	116.4	L137	M135-L137 VanDerWaalsContact C-N 3.31Å; M135-L137 PolarHBondContact O-N 3.17Å
136	G	40.8	Very low	63.4	Low	79 Å²	79	72 Å²	72	81%	0.814	44%	0.435	S	S	*	.	S	Bend	trans	63.3	8.9	135.7	0	0	0	0	0	120.5
137	L	43	Very low	63.5	Low	166 Å²	166	70 Å²	70	87%	0.869	43%	0.425	S	S	*	.			trans	-129.8	20.2	-171.6	-120.4	93.5	0	0	0	116.7	M135	M135-L137 VanDerWaalsContact C-N 3.31Å; M135-L137 PolarHBondContact O-N 3.17Å
138	E	44.7	Very low	63.7	Low	142 Å²	142	70.3 Å²	70.3	66%	0.664	43%	0.425	S	S	*	.	S	Bend	trans	-113.2	145.6	171.9	-81.8	-158.9	170.2	0	0	113.5
139	P	48.8	Very low	64	Low	103 Å²	103	70.8 Å²	70.8	67%	0.669	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-64.4	157.1	-176.5	26.4	-34.5	0	0	0	112.7	T141	P139-T141 PolarHBondContact O-N 3.45Å
140	P	51.9	Low	64.7	Low	112 Å²	112	70.7 Å²	70.7	73%	0.727	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-55.8	134	-179	21.5	-32.4	0	0	0	112
141	T	63	Low	65.5	Low	34 Å²	34	66.6 Å²	66.6	21%	0.209	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-65.4	133.9	177	47.6	0	0	0	0	110.4	P139	P139-T141 PolarHBondContact O-N 3.45Å
142	S	70.3	Confident	67.1	Low	21 Å²	21	62.7 Å²	62.7	15%	0.147	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-83.9	135.7	-178.8	63.6	0	0	0	0	110.7	E144 Q145 R715	S142-E144 VanDerWaalsContact CB-CD 3.4Å; S142-E144 WeakPolarHBondContact CB-OE1 3.34Å; S142-E144 WeakPolarHBondContact CB-OE2 3.47Å; S142-E144 PolarHBondContact O-N 3.39Å; S142-E144 PolarHBondContact OG-OE1 2.82Å; S142-Q145 WeakPolarHBondContact O-CB 3.19Å; S142-Q145 PolarHBondContact O-N 2.84Å; S142-Q145 VanDerWaalsContact O-N 3.11Å; S142-R715 PolarHBondContact OG-NH1 2.81Å
143	P	75.4	Confident	69	Low	18 Å²	18	55.5 Å²	55.5	12%	0.117	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.5	-172.9	25.4	-35.2	0	0	0	115.3	T183 V187 T197 N201	P143-T183 HydrophobicContact CB-CG2 3.78Å; P143-V187 HydrophobicContact CB-CG2 4.45Å; P143-T197 HydrophobicContact CG-CG2 4.05Å; P143-N201 PolarHBondContact O-ND2 2.99Å
144	E	75.6	Confident	71.2	Confident	44 Å²	44	53 Å²	53	21%	0.206	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.5	178.2	65	-87.9	-165	0	0	114.8	S142 G146 V147 R715 Y716	S142-E144 VanDerWaalsContact CB-CD 3.4Å; S142-E144 WeakPolarHBondContact CB-OE1 3.34Å; S142-E144 WeakPolarHBondContact CB-OE2 3.47Å; S142-E144 PolarHBondContact O-N 3.39Å; S142-E144 PolarHBondContact OG-OE1 2.82Å; E144-G146 PolarHBondContact O-N 2.88Å; E144-V147 WeakPolarHBondContact O-CG2 3.48Å; E144-R715 HydrophobicContact CG-CB 4.19Å; E144-R715 VanDerWaalsContact OE1-CD 3.31Å; E144-R715 WeakPolarHBondContact OE1-CD 3.32Å; E144-R715 IonicContact OE1-CZ 3.84Å; E144-R715 IonicContact OE1-NE 2.63Å; E144-R715 IonicContact OE1-NH1 3.76Å; E144-R715 PolarHBondContact OE1-NH1 3.38Å; E144-Y716 HydrophobicContact CB-CE2 4.06Å
145	Q	81.9	Confident	73.7	Confident	78 Å²	78	48.2 Å²	48.2	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	130.3	-178.7	-177.5	170.6	-6.6	0	0	110.5	P129 S142	P129-Q145 HydrophobicContact CB-CB 4.33Å; S142-Q145 WeakPolarHBondContact O-CB 3.19Å; S142-Q145 PolarHBondContact O-N 2.84Å; S142-Q145 VanDerWaalsContact O-N 3.11Å
146	G	84.7	Confident	76.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-17.9	179.3	0	0	0	0	0	115.2	C127 E144 W148 Q149 L150	C127-G146 WeakPolarHBondContact O-CA 3.29Å; E144-G146 PolarHBondContact O-N 2.88Å; G146-W148 PolarHBondContact O-N 2.97Å; G146-Q149 PolarHBondContact O-N 2.98Å; G146-Q149 PolarHBondContact O-OE1 3.46Å; G146-L150 WeakPolarHBondContact O-CD1 3.16Å; G146-L150 PolarHBondContact O-N 3.44Å; G146-L150 VanDerWaalsContact O-N 3.14Å
147	V	89	Confident	78.5	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-41.9	-169.9	-173.8	0	0	0	0	112.4	E144 L150 I151 F205 L719	E144-V147 WeakPolarHBondContact O-CG2 3.48Å; V147-L150 PolarHBondContact O-N 3.39Å; V147-I151 HydrophobicContact CG1-CD1 3.89Å; V147-I151 HydrophobicContact CG1-CG1 4.43Å; V147-I151 VanDerWaalsContact O-CG1 3.28Å; V147-I151 WeakPolarHBondContact O-CG1 3.4Å; V147-I151 PolarHBondContact O-N 3.31Å; V147-F205 HydrophobicContact CG1-CE1 4.26Å; V147-F205 HydrophobicContact CG1-CZ 4.15Å; V147-L719 HydrophobicContact CB-CD2 3.92Å; V147-L719 HydrophobicContact CG1-CD2 3.48Å; V147-L719 VanDerWaalsContact CG1-CD2 3.48Å
148	W	89.6	Confident	80.9	Confident	14 Å²	14	28.3 Å²	28.3	5%	0.053	16%	0.157	C	C	.	.	H	α-helix	trans	-70	-34.7	-178.5	71.6	-98.1	0	0	0	112.6	L67 G146 I151 L152 L719 E774 L777 L781 F782	L67-W148 HydrophobicContact CD2-CH2 4Å; L67-W148 HydrophobicContact CD2-CZ2 3.97Å; G146-W148 PolarHBondContact O-N 2.97Å; W148-I151 PolarHBondContact O-N 3.4Å; W148-L152 WeakPolarHBondContact O-CB 3.38Å; W148-L152 PolarHBondContact O-N 3.08Å; W148-L719 HydrophobicContact CB-CD1 3.65Å; W148-E774 HydrophobicContact CZ2-CG 4.47Å; W148-E774 PolarHBondContact NE1-OE1 2.89Å; W148-L777 HydrophobicContact CH2-CD2 4.46Å; W148-L781 HydrophobicContact CH2-CD1 3.84Å; W148-L781 HydrophobicContact CZ3-CD1 3.67Å; W148-F782 WeakPolarHBondContact O-CE2 3.21Å
149	Q	90.8	Very high	83	Confident	17 Å²	17	22.2 Å²	22.2	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-45.7	174.5	-64.1	86.8	-20.7	0	0	110.4	L67 C127 G146 L152 V153	L67-Q149 HydrophobicContact CD1-CG 4.11Å; C127-Q149 HydrophobicContact CB-CB 4.43Å; G146-Q149 PolarHBondContact O-N 2.98Å; G146-Q149 PolarHBondContact O-OE1 3.46Å; Q149-L152 PolarHBondContact O-N 2.7Å; Q149-V153 WeakPolarHBondContact O-CG2 3.35Å; Q149-V153 PolarHBondContact O-N 3.16Å
150	L	92.3	Very high	84.8	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.7	-40.8	179.7	-87.1	71.1	0	0	0	112.2	S124 C127 G146 V147 L152 T154 V175 H179 F205	S124-L150 WeakPolarHBondContact O-CD1 3.42Å; C127-L150 HydrophobicContact CB-CD1 4.07Å; G146-L150 WeakPolarHBondContact O-CD1 3.16Å; G146-L150 PolarHBondContact O-N 3.44Å; G146-L150 VanDerWaalsContact O-N 3.14Å; V147-L150 PolarHBondContact O-N 3.39Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 3.32Å; L150-T154 VanDerWaalsContact O-CB 3.26Å; L150-T154 WeakPolarHBondContact O-CB 3.31Å; L150-T154 PolarHBondContact O-N 3.14Å; L150-T154 PolarHBondContact O-OG1 3.41Å; L150-V175 HydrophobicContact CB-CG1 4.01Å; L150-V175 HydrophobicContact CD2-CG1 3.61Å; L150-V175 HydrophobicContact CG-CG1 3.68Å; L150-H179 HydrophobicContact CD2-CB 3.59Å; L150-F205 HydrophobicContact CB-CE1 3.88Å; L150-F205 HydrophobicContact CB-CZ 4.36Å; L150-F205 HydrophobicContact CD2-CE1 4.27Å; L150-F205 HydrophobicContact CD2-CZ 4.04Å
151	I	92.5	Very high	86.6	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.2	-42.5	175.5	-66.7	170.2	0	0	0	110.1	V147 W148 T154 F155 L204 F205 V208 L719 V723 L726 F782	V147-I151 HydrophobicContact CG1-CD1 3.89Å; V147-I151 HydrophobicContact CG1-CG1 4.43Å; V147-I151 VanDerWaalsContact O-CG1 3.28Å; V147-I151 WeakPolarHBondContact O-CG1 3.4Å; V147-I151 PolarHBondContact O-N 3.31Å; W148-I151 PolarHBondContact O-N 3.4Å; I151-T154 PolarHBondContact O-N 3.14Å; I151-F155 WeakPolarHBondContact O-CB 3.09Å; I151-F155 PolarHBondContact O-N 3.31Å; I151-L204 HydrophobicContact CD1-CB 4.29Å; I151-F205 HydrophobicContact CG1-CD1 4.24Å; I151-F205 HydrophobicContact CG1-CE1 4.18Å; I151-V208 HydrophobicContact CG1-CG1 4.35Å; I151-V208 HydrophobicContact CG2-CB 3.98Å; I151-V208 HydrophobicContact CG2-CG1 4.27Å; I151-V208 HydrophobicContact CG2-CG2 3.85Å; I151-L719 HydrophobicContact CD1-CD1 4.08Å; I151-L719 HydrophobicContact CD1-CD2 4.21Å; I151-L719 HydrophobicContact CD1-CG 4.24Å; I151-V723 HydrophobicContact CD1-CG2 3.95Å; I151-V723 HydrophobicContact CG2-CG2 4.27Å; I151-L726 HydrophobicContact CG2-CD1 4.18Å; I151-F782 HydrophobicContact CB-CZ 3.9Å; I151-F782 HydrophobicContact CG2-CE1 3.87Å; I151-F782 HydrophobicContact CG2-CZ 3.51Å
152	L	92.1	Very high	87.7	Confident	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-64	-49.7	179.7	-178	64.3	0	0	0	111.2	T63 W148 Q149 L150 T154 F155 V156 L781 F782 A785	T63-L152 HydrophobicContact CG2-CD2 4.03Å; W148-L152 WeakPolarHBondContact O-CB 3.38Å; W148-L152 PolarHBondContact O-N 3.08Å; Q149-L152 PolarHBondContact O-N 2.7Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 3.32Å; L152-T154 VanDerWaalsContact C-N 3.32Å; L152-T154 PolarHBondContact O-N 3.21Å; L152-F155 PolarHBondContact O-N 2.96Å; L152-V156 HydrophobicContact CD1-CG2 4.49Å; L152-V156 WeakPolarHBondContact O-CG2 3.41Å; L152-V156 PolarHBondContact O-N 3.2Å; L152-L781 HydrophobicContact CD2-CB 3.91Å; L152-L781 HydrophobicContact CD2-CD1 4.49Å; L152-F782 VanDerWaalsContact CA-CZ 3.45Å; L152-F782 HydrophobicContact CB-CD2 4.36Å; L152-F782 HydrophobicContact CB-CE1 4.28Å; L152-F782 HydrophobicContact CB-CE2 3.67Å; L152-F782 HydrophobicContact CB-CZ 3.62Å; L152-F782 HydrophobicContact CD1-CD1 3.99Å; L152-F782 HydrophobicContact CD1-CD2 4.07Å; L152-F782 HydrophobicContact CD1-CE1 4.06Å; L152-F782 HydrophobicContact CD1-CE2 4.15Å; L152-F782 HydrophobicContact CD1-CG 4.01Å; L152-F782 HydrophobicContact CD1-CZ 4.15Å; L152-F782 HydrophobicContact CG-CE2 4.41Å; L152-F782 HydrophobicContact CG-CZ 4.5Å; L152-F782 VanDerWaalsContact N-CZ 3.3Å; L152-A785 HydrophobicContact CD1-CB 3.97Å
153	V	93.1	Very high	88.4	Confident	2 Å²	2	9.9 Å²	9.9	1%	0.012	5%	0.051	C	C	.	.	H	α-helix	trans	-62.6	-41.3	179.6	173	0	0	0	0	111	L60 F123 S124 Q149 V156 A157 F171	L60-V153 HydrophobicContact CD2-CG2 4.2Å; F123-V153 HydrophobicContact CD1-CG2 3.92Å; F123-V153 HydrophobicContact CE1-CG2 3.87Å; S124-V153 WeakPolarHBondContact OG-CG1 3.25Å; Q149-V153 WeakPolarHBondContact O-CG2 3.35Å; Q149-V153 PolarHBondContact O-N 3.16Å; V153-V156 PolarHBondContact O-N 2.91Å; V153-A157 WeakPolarHBondContact O-CB 3.36Å; V153-A157 PolarHBondContact O-N 3.48Å; V153-F171 HydrophobicContact CG1-CE1 4.28Å; V153-F171 HydrophobicContact CG1-CZ 3.86Å
154	T	93.1	Very high	89	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-45.7	175.5	-56.9	0	0	0	0	110.9	L150 I151 L152 A157 Y158 V208	L150-T154 VanDerWaalsContact O-CB 3.26Å; L150-T154 WeakPolarHBondContact O-CB 3.31Å; L150-T154 PolarHBondContact O-N 3.14Å; L150-T154 PolarHBondContact O-OG1 3.41Å; I151-T154 PolarHBondContact O-N 3.14Å; L152-T154 VanDerWaalsContact C-N 3.32Å; L152-T154 PolarHBondContact O-N 3.21Å; T154-A157 PolarHBondContact O-N 2.89Å; T154-Y158 HydrophobicContact CG2-CD2 3.95Å; T154-Y158 HydrophobicContact CG2-CE2 3.71Å; T154-Y158 VanDerWaalsContact O-CD2 3.23Å; T154-Y158 WeakPolarHBondContact O-CD2 3.28Å; T154-Y158 PolarHBondContact O-N 3.44Å; T154-Y158 VanDerWaalsContact O-N 3.16Å; T154-V208 HydrophobicContact CG2-CG1 4.2Å; T154-V208 HydrophobicContact CG2-CG2 4.44Å
155	F	92.3	Very high	89.5	Confident	1 Å²	1	16.8 Å²	16.8	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-46.1	176.6	178	-104.9	0	0	0	112.3	I151 L152 A157 Y158 A159 V208 L726 A729 L786	I151-F155 WeakPolarHBondContact O-CB 3.09Å; I151-F155 PolarHBondContact O-N 3.31Å; L152-F155 PolarHBondContact O-N 2.96Å; F155-A157 VanDerWaalsContact C-N 3.27Å; F155-A157 PolarHBondContact O-N 2.98Å; F155-Y158 PolarHBondContact O-N 3.28Å; F155-A159 HydrophobicContact CD1-CB 4.42Å; F155-A159 HydrophobicContact CD2-CB 4.27Å; F155-A159 HydrophobicContact CE1-CB 4.05Å; F155-A159 HydrophobicContact CE2-CB 3.9Å; F155-A159 HydrophobicContact CZ-CB 3.77Å; F155-A159 WeakPolarHBondContact O-CB 3.39Å; F155-A159 PolarHBondContact O-N 3.42Å; F155-V208 HydrophobicContact CB-CG2 4.1Å; F155-L726 HydrophobicContact CB-CD2 4.5Å; F155-L726 HydrophobicContact CD1-CD2 4.17Å; F155-L726 HydrophobicContact CD2-CD2 3.73Å; F155-L726 HydrophobicContact CE1-CD2 4.35Å; F155-L726 HydrophobicContact CE2-CD2 3.92Å; F155-L726 HydrophobicContact CG-CD2 3.86Å; F155-L726 HydrophobicContact CZ-CD2 4.23Å; F155-A729 HydrophobicContact CE2-CB 4.04Å; F155-A729 HydrophobicContact CZ-CB 4.1Å; F155-L786 HydrophobicContact CE1-CD2 4.05Å; F155-L786 HydrophobicContact CE1-CG 4.28Å; F155-L786 HydrophobicContact CE2-CD2 4.45Å; F155-L786 HydrophobicContact CZ-CD2 3.68Å; F155-L786 HydrophobicContact CZ-CG 4.4Å
156	V	92.8	Very high	89.9	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-58.4	-40.4	176.6	169.4	0	0	0	0	111.1	A56 V59 L60 L152 V153 L160 L161	A56-V156 HydrophobicContact CB-CG1 4.06Å; V59-V156 HydrophobicContact CG1-CG2 3.81Å; L60-V156 HydrophobicContact CD2-CG1 4.45Å; L60-V156 HydrophobicContact CG-CG1 4.33Å; L152-V156 HydrophobicContact CD1-CG2 4.49Å; L152-V156 WeakPolarHBondContact O-CG2 3.41Å; L152-V156 PolarHBondContact O-N 3.2Å; V153-V156 PolarHBondContact O-N 2.91Å; V156-L160 HydrophobicContact CG1-CB 4.41Å; V156-L160 HydrophobicContact CG1-CD1 4.27Å; V156-L160 HydrophobicContact CG2-CD1 4.36Å; V156-L160 WeakPolarHBondContact O-CB 3.38Å; V156-L160 PolarHBondContact O-N 3.14Å; V156-L161 PolarHBondContact O-N 3.45Å
157	A	92.5	Very high	90.1	Very high	2 Å²	2	21.4 Å²	21.4	2%	0.017	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-40	178	0	0	0	0	0	113.3	L117 V153 T154 F155 L161 F171	L117-A157 HydrophobicContact CD2-CB 3.89Å; V153-A157 WeakPolarHBondContact O-CB 3.36Å; V153-A157 PolarHBondContact O-N 3.48Å; T154-A157 PolarHBondContact O-N 2.89Å; F155-A157 VanDerWaalsContact C-N 3.27Å; F155-A157 PolarHBondContact O-N 2.98Å; A157-L161 HydrophobicContact CB-CD1 4.42Å; A157-F171 HydrophobicContact CB-CD1 3.66Å; A157-F171 HydrophobicContact CB-CE1 3.46Å; A157-F171 VanDerWaalsContact CB-CE1 3.46Å; A157-F171 HydrophobicContact CB-CZ 4.37Å
158	Y	92.2	Very high	90.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-75.7	-43	175.5	-78.9	-72.3	0	0	0	113.3	T154 F155 A168 V169 N209 L213	T154-Y158 HydrophobicContact CG2-CD2 3.95Å; T154-Y158 HydrophobicContact CG2-CE2 3.71Å; T154-Y158 VanDerWaalsContact O-CD2 3.23Å; T154-Y158 WeakPolarHBondContact O-CD2 3.28Å; T154-Y158 PolarHBondContact O-N 3.44Å; T154-Y158 VanDerWaalsContact O-N 3.16Å; F155-Y158 PolarHBondContact O-N 3.28Å; Y158-A168 HydrophobicContact CD1-CB 3.73Å; Y158-A168 HydrophobicContact CE1-CB 3.71Å; Y158-V169 HydrophobicContact CE1-CG2 4.15Å; Y158-V169 WeakPolarHBondContact OH-CA 3.43Å; Y158-N209 WeakPolarHBondContact CE2-OD1 3.03Å; Y158-N209 PolarHBondContact OH-OD1 3.33Å; Y158-L213 HydrophobicContact CE1-CB 4.24Å
159	A	88.4	Confident	90.4	Very high	14 Å²	14	22.8 Å²	22.8	12%	0.116	11%	0.111	C	C	.	.	H	α-helix	trans	-91.8	-29.3	-164	0	0	0	0	0	113.9	F155 H789	F155-A159 HydrophobicContact CD1-CB 4.42Å; F155-A159 HydrophobicContact CD2-CB 4.27Å; F155-A159 HydrophobicContact CE1-CB 4.05Å; F155-A159 HydrophobicContact CE2-CB 3.9Å; F155-A159 HydrophobicContact CZ-CB 3.77Å; F155-A159 WeakPolarHBondContact O-CB 3.39Å; F155-A159 PolarHBondContact O-N 3.42Å; A159-H789 PolarHBondContact O-ND1 2.68Å
160	L	88.3	Confident	90.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-26.9	-173	-59.2	177.5	0	0	0	113.6	S52 A56 V59 V156 H789	S52-L160 CarbonylContact C-O 3.55Å; S52-L160 WeakPolarHBondContact CB-O 3.48Å; S52-L160 PolarHBondContact OG-O 2.93Å; A56-L160 HydrophobicContact CB-CB 3.68Å; V59-L160 HydrophobicContact CG2-CD1 4.31Å; V156-L160 HydrophobicContact CG1-CB 4.41Å; V156-L160 HydrophobicContact CG1-CD1 4.27Å; V156-L160 HydrophobicContact CG2-CD1 4.36Å; V156-L160 WeakPolarHBondContact O-CB 3.38Å; V156-L160 PolarHBondContact O-N 3.14Å; L160-H789 HydrophobicContact CD2-CB 4.02Å
161	L	89.2	Confident	90.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.132	C	C	.	.	S	Bend	trans	-83.2	132.4	176.1	-70.5	176	0	0	0	111.6	T53 A56 T116 L117 V156 A157 V163 R216	T53-L161 HydrophobicContact CG2-CD2 4.47Å; A56-L161 HydrophobicContact CB-CD2 3.68Å; A56-L161 HydrophobicContact CB-CG 4.04Å; T116-L161 HydrophobicContact CG2-CD1 4.21Å; T116-L161 HydrophobicContact CG2-CD2 4.08Å; L117-L161 HydrophobicContact CD2-CD1 3.79Å; L117-L161 HydrophobicContact CG-CD1 4.09Å; V156-L161 PolarHBondContact O-N 3.45Å; A157-L161 HydrophobicContact CB-CD1 4.42Å; L161-V163 HydrophobicContact CB-CG1 4.01Å; L161-V163 HydrophobicContact CB-CG2 4.35Å; L161-V163 PolarHBondContact O-N 3.07Å; L161-R216 PolarHBondContact O-NH1 2.87Å
162	P	85.5	Confident	90.6	Very high	9 Å²	9	26.3 Å²	26.3	6%	0.058	13%	0.132	C	C	.	.			trans	-81.9	60.8	176.5	36.1	-35.8	0	0	0	111.2	E49 T53 V113	E49-P162 HydrophobicContact CB-CB 3.83Å; E49-P162 HydrophobicContact CB-CG 3.93Å; E49-P162 HydrophobicContact CG-CB 3.57Å; E49-P162 HydrophobicContact CG-CG 4.25Å; T53-P162 HydrophobicContact CG2-CG 3.48Å; T53-P162 VanDerWaalsContact CG2-CG 3.48Å; V113-P162 HydrophobicContact CG1-CG 4.48Å; V113-P162 HydrophobicContact CG2-CG 3.78Å
163	V	85.6	Confident	90.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.151	C	C	.	.			trans	-96.5	152.4	-178.7	-69.3	0	0	0	0	111.3	V113 L117 L161 T165 A168 R216	V113-V163 HydrophobicContact CG1-CB 4.39Å; V113-V163 HydrophobicContact CG1-CG1 3.18Å; L117-V163 HydrophobicContact CD1-CB 4.03Å; L117-V163 HydrophobicContact CD1-CG1 3.31Å; L117-V163 HydrophobicContact CD1-CG2 4.48Å; L117-V163 HydrophobicContact CD2-CG1 4.39Å; L117-V163 HydrophobicContact CG-CG1 3.78Å; L161-V163 HydrophobicContact CB-CG1 4.01Å; L161-V163 HydrophobicContact CB-CG2 4.35Å; L161-V163 PolarHBondContact O-N 3.07Å; V163-T165 PolarHBondContact O-N 3.14Å; V163-A168 HydrophobicContact CG2-CB 3.68Å; V163-R216 PolarHBondContact O-NE 3.39Å; V163-R216 PolarHBondContact O-NH2 3.41Å
164	R	86.8	Confident	90.7	Very high	186 Å²	186	33.7 Å²	33.7	70%	0.702	17%	0.172	S	C	*	.			trans	-56.2	137.3	170.6	-70.5	-175.1	175.2	-178.2	-4.1	109.8	L166 L167 A168	R164-L166 VanDerWaalsContact C-N 3.25Å; R164-L166 PolarHBondContact O-N 2.87Å; R164-L167 HydrophobicContact CB-CB 4.35Å; R164-L167 WeakPolarHBondContact O-CA 3.45Å; R164-L167 WeakPolarHBondContact O-CB 3.49Å; R164-L167 PolarHBondContact O-N 3.26Å; R164-A168 PolarHBondContact O-N 3.5Å
165	T	87.4	Confident	90.7	Very high	20 Å²	20	33.7 Å²	33.7	12%	0.123	17%	0.172	C	C	.	.	H	α-helix	trans	-55.1	-41	-175.3	-58	0	0	0	0	112.2	V163 L167 A168 V169 L213 R216 I217 E220	V163-T165 PolarHBondContact O-N 3.14Å; T165-L167 PolarHBondContact O-N 3.06Å; T165-A168 PolarHBondContact O-N 3.43Å; T165-V169 WeakPolarHBondContact O-CG2 3.25Å; T165-V169 PolarHBondContact O-N 3.42Å; T165-L213 HydrophobicContact CG2-CD1 3.72Å; T165-R216 HydrophobicContact CG2-CG 4.35Å; T165-I217 HydrophobicContact CG2-CG1 4.18Å; T165-E220 PolarHBondContact OG1-OE2 2.9Å
166	L	88.8	Confident	90.8	Very high	106 Å²	106	34.2 Å²	34.2	56%	0.555	18%	0.176	S	C	*	.	H	α-helix	trans	-59.9	-43.1	174.5	-177.7	65.3	0	0	0	112.7	R164 V169 V170	R164-L166 VanDerWaalsContact C-N 3.25Å; R164-L166 PolarHBondContact O-N 2.87Å; L166-V169 PolarHBondContact O-N 2.9Å; L166-V170 WeakPolarHBondContact O-CG2 3.42Å; L166-V170 PolarHBondContact O-N 2.82Å
167	L	90.3	Very high	90.8	Very high	69 Å²	69	38 Å²	38	36%	0.361	20%	0.195	S	C	.	.	H	α-helix	trans	-67.1	-38.6	-179.5	-172.7	66.8	0	0	0	111.4	L117 R164 T165 V170 F171	L117-L167 HydrophobicContact CD1-CD2 3.59Å; L117-L167 HydrophobicContact CD1-CG 3.8Å; R164-L167 HydrophobicContact CB-CB 4.35Å; R164-L167 WeakPolarHBondContact O-CA 3.45Å; R164-L167 WeakPolarHBondContact O-CB 3.49Å; R164-L167 PolarHBondContact O-N 3.26Å; T165-L167 PolarHBondContact O-N 3.06Å; L167-V170 PolarHBondContact O-N 3.48Å; L167-F171 VanDerWaalsContact O-CB 3.31Å; L167-F171 WeakPolarHBondContact O-CB 3.28Å; L167-F171 PolarHBondContact O-N 3.04Å
168	A	90.9	Very high	90.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-42	173.9	0	0	0	0	0	112.1	Y158 V163 R164 T165 F171 G172	Y158-A168 HydrophobicContact CD1-CB 3.73Å; Y158-A168 HydrophobicContact CE1-CB 3.71Å; V163-A168 HydrophobicContact CG2-CB 3.68Å; R164-A168 PolarHBondContact O-N 3.5Å; T165-A168 PolarHBondContact O-N 3.43Å; A168-F171 PolarHBondContact O-N 2.84Å; A168-G172 PolarHBondContact O-N 3.02Å
169	V	92.5	Very high	90.6	Very high	44 Å²	44	38.3 Å²	38.3	27%	0.267	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-48.3	177	173.3	0	0	0	0	111.4	Y158 T165 L166 F171 G172 V173 L213	Y158-V169 HydrophobicContact CE1-CG2 4.15Å; Y158-V169 WeakPolarHBondContact OH-CA 3.43Å; T165-V169 WeakPolarHBondContact O-CG2 3.25Å; T165-V169 PolarHBondContact O-N 3.42Å; L166-V169 PolarHBondContact O-N 2.9Å; V169-F171 VanDerWaalsContact C-N 3.3Å; V169-F171 PolarHBondContact O-N 3.25Å; V169-G172 PolarHBondContact O-N 3.31Å; V169-V173 HydrophobicContact CG1-CG2 4.35Å; V169-V173 WeakPolarHBondContact O-CB 3.39Å; V169-V173 WeakPolarHBondContact O-CG2 3.1Å; V169-V173 PolarHBondContact O-N 3.14Å; V169-L213 HydrophobicContact CG2-CD1 3.62Å; V169-L213 HydrophobicContact CG2-CD2 4.47Å
170	V	93.1	Very high	90.7	Very high	75 Å²	75	39.4 Å²	39.4	46%	0.455	20%	0.202	S	C	.	.	H	α-helix	trans	-58.6	-45.7	176.3	172.1	0	0	0	0	110.2	L166 L167 V173 M174	L166-V170 WeakPolarHBondContact O-CG2 3.42Å; L166-V170 PolarHBondContact O-N 2.82Å; L167-V170 PolarHBondContact O-N 3.48Å; V170-V173 PolarHBondContact O-N 3.14Å; V170-M174 HydrophobicContact CG1-CG 4.16Å; V170-M174 VanDerWaalsContact O-CB 3.31Å; V170-M174 WeakPolarHBondContact O-CB 3.5Å; V170-M174 WeakPolarHBondContact O-CG 3.42Å; V170-M174 PolarHBondContact O-N 3.42Å
171	F	94.1	Very high	90.8	Very high	15 Å²	15	44.1 Å²	44.1	7%	0.066	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-52.2	176.3	173.6	-96	0	0	0	112.3	L117 F121 V153 A157 L167 A168 V169 V173 M174 V175	L117-F171 HydrophobicContact CD2-CB 4.43Å; L117-F171 HydrophobicContact CD2-CD1 4.12Å; L117-F171 HydrophobicContact CD2-CD2 3.94Å; L117-F171 HydrophobicContact CD2-CE1 4.37Å; L117-F171 HydrophobicContact CD2-CE2 4.18Å; L117-F171 HydrophobicContact CD2-CG 3.9Å; L117-F171 HydrophobicContact CD2-CZ 4.4Å; L117-F171 WeakPolarHBondContact O-CE2 3.49Å; F121-F171 HydrophobicContact CB-CD2 4.29Å; F121-F171 HydrophobicContact CB-CE2 3.79Å; V153-F171 HydrophobicContact CG1-CE1 4.28Å; V153-F171 HydrophobicContact CG1-CZ 3.86Å; A157-F171 HydrophobicContact CB-CD1 3.66Å; A157-F171 HydrophobicContact CB-CE1 3.46Å; A157-F171 VanDerWaalsContact CB-CE1 3.46Å; A157-F171 HydrophobicContact CB-CZ 4.37Å; L167-F171 VanDerWaalsContact O-CB 3.31Å; L167-F171 WeakPolarHBondContact O-CB 3.28Å; L167-F171 PolarHBondContact O-N 3.04Å; A168-F171 PolarHBondContact O-N 2.84Å; V169-F171 VanDerWaalsContact C-N 3.3Å; V169-F171 PolarHBondContact O-N 3.25Å; F171-V173 PolarHBondContact O-N 3.05Å; F171-M174 PolarHBondContact O-N 2.87Å; F171-V175 HydrophobicContact CD2-CG2 4.43Å; F171-V175 HydrophobicContact CE1-CG2 4.14Å; F171-V175 HydrophobicContact CE2-CG2 4.08Å; F171-V175 HydrophobicContact CZ-CG2 3.91Å; F171-V175 WeakPolarHBondContact O-CG2 3.5Å; F171-V175 PolarHBondContact O-N 3.49Å
172	G	93.3	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-37.3	-178.3	0	0	0	0	0	113.6	A168 V169 S176 N209	A168-G172 PolarHBondContact O-N 3.02Å; V169-G172 PolarHBondContact O-N 3.31Å; G172-S176 WeakPolarHBondContact O-CB 3.34Å; G172-S176 PolarHBondContact O-N 3.02Å; G172-S176 VanDerWaalsContact O-N 3.14Å; G172-S176 PolarHBondContact O-OG 2.76Å; G172-N209 VanDerWaalsContact CA-OD1 3.29Å; G172-N209 WeakPolarHBondContact CA-OD1 3.4Å
173	V	94	Very high	90.6	Very high	65 Å²	65	44.2 Å²	44.2	39%	0.394	23%	0.226	S	C	.	.	H	α-helix	trans	-68.2	-44.1	174.5	172.2	0	0	0	0	111.1	V169 V170 F171 V175 S176 I177	V169-V173 HydrophobicContact CG1-CG2 4.35Å; V169-V173 WeakPolarHBondContact O-CB 3.39Å; V169-V173 WeakPolarHBondContact O-CG2 3.1Å; V169-V173 PolarHBondContact O-N 3.14Å; V170-V173 PolarHBondContact O-N 3.14Å; F171-V173 PolarHBondContact O-N 3.05Å; V173-V175 PolarHBondContact O-N 3.19Å; V173-S176 WeakPolarHBondContact O-CB 3.2Å; V173-S176 PolarHBondContact O-N 3.47Å; V173-I177 HydrophobicContact CG1-CD1 3.57Å; V173-I177 HydrophobicContact CG1-CG1 4.23Å; V173-I177 WeakPolarHBondContact O-CG1 3.38Å; V173-I177 PolarHBondContact O-N 3.29Å
174	M	93.9	Very high	90.5	Very high	94 Å²	94	46.6 Å²	46.6	46%	0.463	25%	0.246	S	C	.	.	H	α-helix	trans	-61.4	-44.2	178.4	-74.7	-62.3	-65.5	0	0	112	F121 V170 F171 S176 I177 S178	F121-M174 HydrophobicContact CE2-CB 4Å; V170-M174 HydrophobicContact CG1-CG 4.16Å; V170-M174 VanDerWaalsContact O-CB 3.31Å; V170-M174 WeakPolarHBondContact O-CB 3.5Å; V170-M174 WeakPolarHBondContact O-CG 3.42Å; V170-M174 PolarHBondContact O-N 3.42Å; F171-M174 PolarHBondContact O-N 2.87Å; M174-S176 VanDerWaalsContact C-N 3.31Å; M174-S176 PolarHBondContact O-N 3.01Å; M174-I177 PolarHBondContact O-N 2.98Å; M174-S178 WeakPolarHBondContact O-CB 3.29Å; M174-S178 PolarHBondContact O-N 3.17Å; M174-S178 PolarHBondContact O-OG 3.43Å; M174-S178 VanDerWaalsContact O-OG 3.07Å
175	V	93	Very high	90.3	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-40.9	175.3	170.6	0	0	0	0	111.4	F121 L150 F171 V173 S178 H179	F121-V175 HydrophobicContact CD2-CG2 3.85Å; F121-V175 HydrophobicContact CE2-CG2 4.36Å; L150-V175 HydrophobicContact CB-CG1 4.01Å; L150-V175 HydrophobicContact CD2-CG1 3.61Å; L150-V175 HydrophobicContact CG-CG1 3.68Å; F171-V175 HydrophobicContact CD2-CG2 4.43Å; F171-V175 HydrophobicContact CE1-CG2 4.14Å; F171-V175 HydrophobicContact CE2-CG2 4.08Å; F171-V175 HydrophobicContact CZ-CG2 3.91Å; F171-V175 WeakPolarHBondContact O-CG2 3.5Å; F171-V175 PolarHBondContact O-N 3.49Å; V173-V175 PolarHBondContact O-N 3.19Å; V175-S178 WeakPolarHBondContact CA-OG 3.32Å; V175-S178 PolarHBondContact O-OG 3.46Å; V175-H179 PolarHBondContact O-N 3.48Å
176	S	93.3	Very high	89.6	Confident	12 Å²	12	42.7 Å²	42.7	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-47.6	178.9	-53.1	0	0	0	0	111.6	G172 V173 M174 H179 L180 F205 N209	G172-S176 WeakPolarHBondContact O-CB 3.34Å; G172-S176 PolarHBondContact O-N 3.02Å; G172-S176 VanDerWaalsContact O-N 3.14Å; G172-S176 PolarHBondContact O-OG 2.76Å; V173-S176 WeakPolarHBondContact O-CB 3.2Å; V173-S176 PolarHBondContact O-N 3.47Å; M174-S176 VanDerWaalsContact C-N 3.31Å; M174-S176 PolarHBondContact O-N 3.01Å; S176-H179 PolarHBondContact O-N 3.4Å; S176-L180 VanDerWaalsContact O-CG 3.27Å; S176-L180 WeakPolarHBondContact O-CG 3.37Å; S176-L180 PolarHBondContact O-N 3.14Å; S176-L180 VanDerWaalsContact O-N 3.09Å; S176-F205 WeakPolarHBondContact OG-CB 3.37Å; S176-N209 PolarHBondContact OG-ND2 3.2Å
177	I	92.9	Very high	88.6	Confident	80 Å²	80	38.2 Å²	38.2	41%	0.41	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-44.1	179.7	-68.2	171.9	0	0	0	110.8	V173 M174 H179 L180 I181	V173-I177 HydrophobicContact CG1-CD1 3.57Å; V173-I177 HydrophobicContact CG1-CG1 4.23Å; V173-I177 WeakPolarHBondContact O-CG1 3.38Å; V173-I177 PolarHBondContact O-N 3.29Å; M174-I177 PolarHBondContact O-N 2.98Å; I177-H179 VanDerWaalsContact C-N 3.29Å; I177-H179 PolarHBondContact O-N 3.39Å; I177-L180 PolarHBondContact O-N 3.1Å; I177-I181 HydrophobicContact CG2-CD1 3.58Å; I177-I181 HydrophobicContact CG2-CG1 4.19Å; I177-I181 WeakPolarHBondContact O-CG1 3.37Å; I177-I181 PolarHBondContact O-N 2.7Å
178	S	91.6	Very high	87.3	Confident	14 Å²	14	41.3 Å²	41.3	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-42.5	179.7	58.3	0	0	0	0	111.6	M174 V175 V182	M174-S178 WeakPolarHBondContact O-CB 3.29Å; M174-S178 PolarHBondContact O-N 3.17Å; M174-S178 PolarHBondContact O-OG 3.43Å; M174-S178 VanDerWaalsContact O-OG 3.07Å; V175-S178 WeakPolarHBondContact CA-OG 3.32Å; V175-S178 PolarHBondContact O-OG 3.46Å; S178-V182 VanDerWaalsContact O-CG2 3.28Å; S178-V182 WeakPolarHBondContact O-CG2 3.35Å; S178-V182 PolarHBondContact O-N 3.39Å
179	H	89.9	Confident	86	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-47.3	176.4	-173.6	-78.8	0	0	0	111.6	L150 V175 S176 I177 I181 V182 T183 F205	L150-H179 HydrophobicContact CD2-CB 3.59Å; V175-H179 PolarHBondContact O-N 3.48Å; S176-H179 PolarHBondContact O-N 3.4Å; I177-H179 VanDerWaalsContact C-N 3.29Å; I177-H179 PolarHBondContact O-N 3.39Å; H179-I181 VanDerWaalsContact C-N 3.32Å; H179-I181 PolarHBondContact O-N 3.14Å; H179-V182 PolarHBondContact O-N 3.22Å; H179-T183 PolarHBondContact CE1-OG1 3.21Å; H179-T183 PolarHBondContact ND1-OG1 3.23Å; H179-T183 PolarHBondContact O-N 2.85Å; H179-T183 PolarHBondContact O-OG1 3.36Å; H179-F205 HydrophobicContact CB-CE2 3.89Å; H179-F205 HydrophobicContact CB-CZ 3.93Å; H179-F205 AromaticContact CG-CE2 3.79Å; H179-F205 AromaticContact CG-CZ 3.69Å; H179-F205 AromaticContact ND1-CE2 3.64Å; H179-F205 AromaticContact ND1-CZ 3.85Å
180	L	90.2	Very high	84.7	Confident	36 Å²	36	50.9 Å²	50.9	19%	0.188	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-41.1	179.6	-68	171.5	0	0	0	112.3	S176 I177 A184 L198 N201	S176-L180 VanDerWaalsContact O-CG 3.27Å; S176-L180 WeakPolarHBondContact O-CG 3.37Å; S176-L180 PolarHBondContact O-N 3.14Å; S176-L180 VanDerWaalsContact O-N 3.09Å; I177-L180 PolarHBondContact O-N 3.1Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.25Å; L180-A184 PolarHBondContact O-N 3.11Å; L180-L198 HydrophobicContact CB-CD1 4.22Å; L180-L198 HydrophobicContact CD2-CD1 3.53Å; L180-L198 HydrophobicContact CD2-CG 4.12Å; L180-L198 HydrophobicContact CG-CD1 4.46Å; L180-N201 HydrophobicContact CD2-CB 4.05Å
181	I	89.6	Confident	83.5	Confident	99 Å²	99	52.8 Å²	52.8	51%	0.508	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-45.9	176.6	-67.3	170.8	0	0	0	110.9	I177 H179 A184 T185	I177-I181 HydrophobicContact CG2-CD1 3.58Å; I177-I181 HydrophobicContact CG2-CG1 4.19Å; I177-I181 WeakPolarHBondContact O-CG1 3.37Å; I177-I181 PolarHBondContact O-N 2.7Å; H179-I181 VanDerWaalsContact C-N 3.32Å; H179-I181 PolarHBondContact O-N 3.14Å; I181-A184 PolarHBondContact O-N 3.2Å; I181-T185 WeakPolarHBondContact O-CG2 3.47Å; I181-T185 PolarHBondContact O-N 3.38Å; I181-T185 VanDerWaalsContact O-N 3.15Å; I181-T185 PolarHBondContact O-OG1 3.36Å
182	V	86.8	Confident	82.3	Confident	11 Å²	11	58.8 Å²	58.8	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-48.5	178.9	174.2	0	0	0	0	110.1	F125 C128 P129 F130 S178 H179 A184 T185 S186	F125-V182 HydrophobicContact CE2-CG2 4.43Å; C128-V182 HydrophobicContact CB-CB 4.18Å; C128-V182 HydrophobicContact CB-CG1 3.9Å; C128-V182 HydrophobicContact CB-CG2 4.28Å; P129-V182 HydrophobicContact CG-CG1 4.36Å; F130-V182 HydrophobicContact CD1-CG1 4.19Å; F130-V182 HydrophobicContact CE1-CG1 4.22Å; F130-V182 HydrophobicContact CE1-CG2 3.87Å; F130-V182 HydrophobicContact CZ-CG2 4.21Å; S178-V182 VanDerWaalsContact O-CG2 3.28Å; S178-V182 WeakPolarHBondContact O-CG2 3.35Å; S178-V182 PolarHBondContact O-N 3.39Å; H179-V182 PolarHBondContact O-N 3.22Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 3.45Å; V182-T185 PolarHBondContact O-N 3.39Å; V182-T185 VanDerWaalsContact O-N 3.14Å; V182-T185 PolarHBondContact O-OG1 3.45Å; V182-T185 VanDerWaalsContact O-OG1 3.11Å; V182-S186 WeakPolarHBondContact O-CB 2.99Å; V182-S186 PolarHBondContact O-N 3.29Å; V182-S186 PolarHBondContact O-OG 2.9Å
183	T	84.8	Confident	81.3	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-37.2	177.9	-49.2	0	0	0	0	112.7	P143 H179 T185 V187	P143-T183 HydrophobicContact CB-CG2 3.78Å; H179-T183 PolarHBondContact CE1-OG1 3.21Å; H179-T183 PolarHBondContact ND1-OG1 3.23Å; H179-T183 PolarHBondContact O-N 2.85Å; H179-T183 PolarHBondContact O-OG1 3.36Å; T183-T185 VanDerWaalsContact C-N 3.32Å; T183-T185 PolarHBondContact O-N 2.76Å; T183-V187 HydrophobicContact CG2-CG2 4.19Å; T183-V187 WeakPolarHBondContact O-CB 3.21Å
184	A	84.4	Confident	80.6	Confident	51 Å²	51	62.1 Å²	62.1	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-70.2	-27	178.7	0	0	0	0	0	113.5	L180 I181 V182	L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.25Å; L180-A184 PolarHBondContact O-N 3.11Å; I181-A184 PolarHBondContact O-N 3.2Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 3.45Å
185	T	82.3	Confident	80.1	Confident	111 Å²	111	66.1 Å²	66.1	68%	0.681	35%	0.346	S	S	*	.	H	α-helix	trans	-99.6	-29.8	-175.3	51.5	0	0	0	0	113.6	I181 V182 T183	I181-T185 WeakPolarHBondContact O-CG2 3.47Å; I181-T185 PolarHBondContact O-N 3.38Å; I181-T185 VanDerWaalsContact O-N 3.15Å; I181-T185 PolarHBondContact O-OG1 3.36Å; V182-T185 PolarHBondContact O-N 3.39Å; V182-T185 VanDerWaalsContact O-N 3.14Å; V182-T185 PolarHBondContact O-OG1 3.45Å; V182-T185 VanDerWaalsContact O-OG1 3.11Å; T183-T185 VanDerWaalsContact C-N 3.32Å; T183-T185 PolarHBondContact O-N 2.76Å
186	S	72.5	Confident	79.6	Confident	13 Å²	13	72.5 Å²	72.5	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-93.7	-18.8	-173.5	68.9	0	0	0	0	114.9	P129 V182	P129-S186 WeakPolarHBondContact O-CB 3.45Å; P129-S186 PolarHBondContact O-OG 3.05Å; V182-S186 WeakPolarHBondContact O-CB 2.99Å; V182-S186 PolarHBondContact O-N 3.29Å; V182-S186 PolarHBondContact O-OG 2.9Å
187	V	67.9	Low	79.2	Confident	13 Å²	13	72.7 Å²	72.7	8%	0.079	37%	0.371	C	S	.	.			trans	-101.7	109.5	-172.1	178.8	0	0	0	0	111.3	P143 T183 V189 L194	P143-V187 HydrophobicContact CB-CG2 4.45Å; T183-V187 HydrophobicContact CG2-CG2 4.19Å; T183-V187 WeakPolarHBondContact O-CB 3.21Å; V187-V189 HydrophobicContact CG1-CB 3.97Å; V187-V189 HydrophobicContact CG1-CG2 3.33Å; V187-V189 PolarHBondContact O-N 3Å; V187-V189 VanDerWaalsContact O-N 3.12Å; V187-L194 HydrophobicContact CB-CD1 4.33Å; V187-L194 HydrophobicContact CG1-CD1 4.29Å
188	T	62.5	Low	78.9	Confident	133 Å²	133	71.1 Å²	71.1	82%	0.816	36%	0.363	S	S	*	.			trans	-84.8	71.5	176.9	48.9	0	0	0	0	111.7
189	V	62.8	Low	78.8	Confident	58 Å²	58	72.8 Å²	72.8	35%	0.352	37%	0.373	S	S	.	.			trans	-115.6	153	-179.9	174	0	0	0	0	111.3	V187 T191 K193	V187-V189 HydrophobicContact CG1-CB 3.97Å; V187-V189 HydrophobicContact CG1-CG2 3.33Å; V187-V189 PolarHBondContact O-N 3Å; V187-V189 VanDerWaalsContact O-N 3.12Å; V189-T191 PolarHBondContact O-N 2.96Å; V189-K193 HydrophobicContact CG1-CB 3.76Å; V189-K193 HydrophobicContact CG1-CD 4.08Å; V189-K193 HydrophobicContact CG1-CG 3.99Å
190	K	65.8	Low	78.7	Confident	187 Å²	187	72.8 Å²	72.8	81%	0.813	37%	0.373	S	S	*	.			trans	-46.4	131.2	171.8	-72.2	-175	178.3	-179.2	0	110.7	Q192 K193 L194	K190-Q192 PolarHBondContact O-N 3.32Å; K190-K193 PolarHBondContact O-N 2.94Å; K190-L194 PolarHBondContact O-N 3.38Å
191	T	67.4	Low	78.7	Confident	115 Å²	115	71 Å²	71	71%	0.706	36%	0.364	S	S	*	.	H	α-helix	trans	-48.2	-36.9	-173.6	48.2	0	0	0	0	114.4	V189 W195	V189-T191 PolarHBondContact O-N 2.96Å; T191-W195 PolarHBondContact O-N 3.1Å
192	Q	68.8	Low	78.8	Confident	141 Å²	141	69 Å²	69	66%	0.659	36%	0.356	S	S	*	.	H	α-helix	trans	-70.6	-36.1	179.5	-166.8	179.2	3.5	0	0	114.1	K190	K190-Q192 PolarHBondContact O-N 3.32Å
193	K	72.9	Confident	79	Confident	95 Å²	95	69.1 Å²	69.1	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-78.7	-32.1	178.8	-174.6	172.1	178.7	175	0	110.8	V189 K190 R196 T197 D712	V189-K193 HydrophobicContact CG1-CB 3.76Å; V189-K193 HydrophobicContact CG1-CD 4.08Å; V189-K193 HydrophobicContact CG1-CG 3.99Å; K190-K193 PolarHBondContact O-N 2.94Å; K193-R196 PolarHBondContact O-N 3.33Å; K193-T197 PolarHBondContact O-N 3.07Å; K193-T197 PolarHBondContact O-OG1 3.48Å; K193-D712 IonicContact NZ-OD1 2.92Å; K193-D712 PolarHBondContact NZ-OD1 3.44Å; K193-D712 IonicContact NZ-OD2 2.66Å; K193-D712 PolarHBondContact NZ-OD2 3.49Å
194	L	79.6	Confident	79.3	Confident	40 Å²	40	69.1 Å²	69.1	21%	0.209	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-43.6	175	-170.5	75.7	0	0	0	112.7	V187 K190 R196 T197 L198	V187-L194 HydrophobicContact CB-CD1 4.33Å; V187-L194 HydrophobicContact CG1-CD1 4.29Å; K190-L194 PolarHBondContact O-N 3.38Å; L194-R196 PolarHBondContact O-N 2.85Å; L194-T197 PolarHBondContact O-N 2.8Å; L194-T197 PolarHBondContact O-OG1 3.48Å; L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 PolarHBondContact O-N 2.99Å
195	W	82.3	Confident	79.7	Confident	178 Å²	178	66.8 Å²	66.8	67%	0.674	34%	0.337	S	S	*	.	H	α-helix	trans	-63.1	-40.1	178.5	-101	97.2	0	0	0	112.7	T191 V199	T191-W195 PolarHBondContact O-N 3.1Å; W195-V199 HydrophobicContact CE3-CG2 4.16Å; W195-V199 VanDerWaalsContact O-CG2 3.29Å; W195-V199 WeakPolarHBondContact O-CG2 3.4Å; W195-V199 PolarHBondContact O-N 3.42Å; W195-V199 VanDerWaalsContact O-N 3.13Å
196	R	84.4	Confident	80.2	Confident	134 Å²	134	64.7 Å²	64.7	51%	0.506	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-42	179.2	-69.9	-176.5	178.5	-169.2	-0.2	112.4	K193 L194 A200	K193-R196 PolarHBondContact O-N 3.33Å; L194-R196 PolarHBondContact O-N 2.85Å; R196-A200 PolarHBondContact O-N 3.38Å
197	T	83.7	Confident	81.1	Confident	17 Å²	17	64.1 Å²	64.1	10%	0.104	32%	0.32	C	S	.	.	H	α-helix	trans	-70.8	-37.9	178.7	52	0	0	0	0	112.3	P143 K193 L194 A200 N201 Y716	P143-T197 HydrophobicContact CG-CG2 4.05Å; K193-T197 PolarHBondContact O-N 3.07Å; K193-T197 PolarHBondContact O-OG1 3.48Å; L194-T197 PolarHBondContact O-N 2.8Å; L194-T197 PolarHBondContact O-OG1 3.48Å; T197-A200 PolarHBondContact O-N 2.94Å; T197-N201 PolarHBondContact O-N 3.08Å; T197-Y716 HydrophobicContact CG2-CE2 4.32Å
198	L	87.7	Confident	82.3	Confident	46 Å²	46	63.5 Å²	63.5	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-43.2	176.6	-166.1	75	0	0	0	112	L180 L194 N201 T202	L180-L198 HydrophobicContact CB-CD1 4.22Å; L180-L198 HydrophobicContact CD2-CD1 3.53Å; L180-L198 HydrophobicContact CD2-CG 4.12Å; L180-L198 HydrophobicContact CG-CD1 4.46Å; L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 PolarHBondContact O-N 2.99Å; L198-N201 PolarHBondContact O-N 2.92Å; L198-T202 WeakPolarHBondContact O-CB 3.28Å; L198-T202 PolarHBondContact O-N 3.01Å; L198-T202 PolarHBondContact O-OG1 2.94Å
199	V	88.9	Confident	83.7	Confident	49 Å²	49	58.1 Å²	58.1	30%	0.297	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-43.3	176.7	174.1	0	0	0	0	110.7	W195 T202 V203 L614	W195-V199 HydrophobicContact CE3-CG2 4.16Å; W195-V199 VanDerWaalsContact O-CG2 3.29Å; W195-V199 WeakPolarHBondContact O-CG2 3.4Å; W195-V199 PolarHBondContact O-N 3.42Å; W195-V199 VanDerWaalsContact O-N 3.13Å; V199-T202 WeakPolarHBondContact O-CB 3.35Å; V199-T202 PolarHBondContact O-N 3.45Å; V199-V203 HydrophobicContact CG1-CG2 4.48Å; V199-V203 WeakPolarHBondContact O-CG2 3.35Å; V199-V203 PolarHBondContact O-N 3.42Å; V199-L614 HydrophobicContact CB-CD1 4.29Å; V199-L614 HydrophobicContact CG1-CD1 3.45Å; V199-L614 VanDerWaalsContact CG1-CD1 3.45Å
200	A	87.6	Confident	85.1	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-43.1	178.9	0	0	0	0	0	113.7	R196 T197 T202 V203 L204 I615 Y716	R196-A200 PolarHBondContact O-N 3.38Å; T197-A200 PolarHBondContact O-N 2.94Å; A200-T202 VanDerWaalsContact C-N 3.28Å; A200-T202 PolarHBondContact O-N 2.9Å; A200-V203 PolarHBondContact O-N 3.34Å; A200-L204 WeakPolarHBondContact O-CG 3.41Å; A200-L204 PolarHBondContact O-N 2.98Å; A200-I615 HydrophobicContact CB-CD1 3.08Å; A200-I615 HydrophobicContact CB-CG1 4.16Å; A200-Y716 HydrophobicContact CB-CD1 4.33Å; A200-Y716 HydrophobicContact CB-CE1 4.21Å
201	N	90.3	Very high	86.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-42.2	172.5	-78.6	-20.5	0	0	0	111.2	P143 L180 T197 L198 V203 L204 F205 Y716	P143-N201 PolarHBondContact O-ND2 2.99Å; L180-N201 HydrophobicContact CD2-CB 4.05Å; T197-N201 PolarHBondContact O-N 3.08Å; L198-N201 PolarHBondContact O-N 2.92Å; N201-V203 VanDerWaalsContact C-N 3.33Å; N201-V203 PolarHBondContact O-N 2.91Å; N201-L204 PolarHBondContact O-N 2.94Å; N201-F205 HydrophobicContact CB-CE2 4.27Å; N201-F205 WeakPolarHBondContact O-CB 3.33Å; N201-F205 WeakPolarHBondContact O-CD2 3.24Å; N201-F205 WeakPolarHBondContact O-CG 3.47Å; N201-F205 PolarHBondContact O-N 3.16Å; N201-Y716 VanDerWaalsContact OD1-CE1 3.31Å; N201-Y716 WeakPolarHBondContact OD1-CE1 3.42Å; N201-Y716 PolarHBondContact OD1-OH 3.21Å
202	T	91.6	Very high	87.5	Confident	55 Å²	55	43.8 Å²	43.8	34%	0.337	21%	0.208	S	C	.	.	H	α-helix	trans	-59.8	-43.8	175.9	-55.9	0	0	0	0	111.4	L198 V199 A200 T206	L198-T202 WeakPolarHBondContact O-CB 3.28Å; L198-T202 PolarHBondContact O-N 3.01Å; L198-T202 PolarHBondContact O-OG1 2.94Å; V199-T202 WeakPolarHBondContact O-CB 3.35Å; V199-T202 PolarHBondContact O-N 3.45Å; A200-T202 VanDerWaalsContact C-N 3.28Å; A200-T202 PolarHBondContact O-N 2.9Å; T202-T206 VanDerWaalsContact O-CB 3.31Å; T202-T206 WeakPolarHBondContact O-CB 3.31Å; T202-T206 PolarHBondContact O-N 3.25Å; T202-T206 PolarHBondContact O-OG1 3.48Å
203	V	91.6	Very high	88.6	Confident	15 Å²	15	39.4 Å²	39.4	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-45.2	178	174.7	0	0	0	0	111.4	V199 A200 N201 T206 S207 L607 I610 V611	V199-V203 HydrophobicContact CG1-CG2 4.48Å; V199-V203 WeakPolarHBondContact O-CG2 3.35Å; V199-V203 PolarHBondContact O-N 3.42Å; A200-V203 PolarHBondContact O-N 3.34Å; N201-V203 VanDerWaalsContact C-N 3.33Å; N201-V203 PolarHBondContact O-N 2.91Å; V203-T206 PolarHBondContact O-N 3.34Å; V203-S207 PolarHBondContact O-N 2.92Å; V203-S207 PolarHBondContact O-OG 3.44Å; V203-S207 VanDerWaalsContact O-OG 3.05Å; V203-L607 HydrophobicContact CG1-CB 3.89Å; V203-L607 HydrophobicContact CG1-CD2 4.27Å; V203-L607 WeakPolarHBondContact CG1-O 3.38Å; V203-I610 HydrophobicContact CG2-CG2 4.34Å; V203-V611 HydrophobicContact CB-CG2 3.9Å; V203-V611 HydrophobicContact CG1-CG2 3.53Å
204	L	90.3	Very high	89.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-43.7	179.1	-69.5	172.9	0	0	0	112.5	I151 A200 N201 S207 V208 Y716 L719 V723	I151-L204 HydrophobicContact CD1-CB 4.29Å; A200-L204 WeakPolarHBondContact O-CG 3.41Å; A200-L204 PolarHBondContact O-N 2.98Å; N201-L204 PolarHBondContact O-N 2.94Å; L204-S207 PolarHBondContact O-N 3.05Å; L204-V208 PolarHBondContact O-N 3.3Å; L204-Y716 HydrophobicContact CD1-CD1 4.04Å; L204-Y716 HydrophobicContact CD1-CE1 4.39Å; L204-L719 HydrophobicContact CD1-CD2 3.54Å; L204-L719 HydrophobicContact CD1-CG 4.12Å; L204-V723 HydrophobicContact CD2-CG2 4.11Å
205	F	93.3	Very high	90	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-38.4	175.1	-70.3	-44.8	0	0	0	112.3	V147 L150 I151 S176 H179 N201 S207 V208 N209	V147-F205 HydrophobicContact CG1-CE1 4.26Å; V147-F205 HydrophobicContact CG1-CZ 4.15Å; L150-F205 HydrophobicContact CB-CE1 3.88Å; L150-F205 HydrophobicContact CB-CZ 4.36Å; L150-F205 HydrophobicContact CD2-CE1 4.27Å; L150-F205 HydrophobicContact CD2-CZ 4.04Å; I151-F205 HydrophobicContact CG1-CD1 4.24Å; I151-F205 HydrophobicContact CG1-CE1 4.18Å; S176-F205 WeakPolarHBondContact OG-CB 3.37Å; H179-F205 HydrophobicContact CB-CE2 3.89Å; H179-F205 HydrophobicContact CB-CZ 3.93Å; H179-F205 AromaticContact CG-CE2 3.79Å; H179-F205 AromaticContact CG-CZ 3.69Å; H179-F205 AromaticContact ND1-CE2 3.64Å; H179-F205 AromaticContact ND1-CZ 3.85Å; N201-F205 HydrophobicContact CB-CE2 4.27Å; N201-F205 WeakPolarHBondContact O-CB 3.33Å; N201-F205 WeakPolarHBondContact O-CD2 3.24Å; N201-F205 WeakPolarHBondContact O-CG 3.47Å; N201-F205 PolarHBondContact O-N 3.16Å; F205-S207 VanDerWaalsContact C-N 3.34Å; F205-S207 PolarHBondContact O-N 3.2Å; F205-V208 VanDerWaalsContact O-CG1 3.31Å; F205-V208 WeakPolarHBondContact O-CG1 3.4Å; F205-N209 WeakPolarHBondContact O-CB 3.49Å; F205-N209 PolarHBondContact O-N 3.04Å; F205-N209 PolarHBondContact O-ND2 3.49Å
206	T	92.3	Very high	90.4	Very high	67 Å²	67	28.3 Å²	28.3	41%	0.411	14%	0.143	S	C	.	.	H	α-helix	trans	-62.9	-42.1	174.8	-57.4	0	0	0	0	110.9	T202 V203 N209 L210	T202-T206 VanDerWaalsContact O-CB 3.31Å; T202-T206 WeakPolarHBondContact O-CB 3.31Å; T202-T206 PolarHBondContact O-N 3.25Å; T202-T206 PolarHBondContact O-OG1 3.48Å; V203-T206 PolarHBondContact O-N 3.34Å; T206-N209 PolarHBondContact O-N 3.4Å; T206-L210 WeakPolarHBondContact O-CB 3.31Å; T206-L210 PolarHBondContact O-N 2.92Å
207	S	91.2	Very high	90.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-45.3	178.8	-67	0	0	0	0	113.2	V203 L204 F205 S211	V203-S207 PolarHBondContact O-N 2.92Å; V203-S207 PolarHBondContact O-OG 3.44Å; V203-S207 VanDerWaalsContact O-OG 3.05Å; L204-S207 PolarHBondContact O-N 3.05Å; F205-S207 VanDerWaalsContact C-N 3.34Å; F205-S207 PolarHBondContact O-N 3.2Å; S207-S211 WeakPolarHBondContact O-CB 3.43Å; S207-S211 PolarHBondContact O-N 3.49Å; S207-S211 PolarHBondContact O-OG 2.85Å
208	V	92.7	Very high	90.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-71.7	-39.3	178.5	66.1	0	0	0	0	112.4	I151 T154 F155 L204 F205 S211 G212 L726	I151-V208 HydrophobicContact CG1-CG1 4.35Å; I151-V208 HydrophobicContact CG2-CB 3.98Å; I151-V208 HydrophobicContact CG2-CG1 4.27Å; I151-V208 HydrophobicContact CG2-CG2 3.85Å; T154-V208 HydrophobicContact CG2-CG1 4.2Å; T154-V208 HydrophobicContact CG2-CG2 4.44Å; F155-V208 HydrophobicContact CB-CG2 4.1Å; L204-V208 PolarHBondContact O-N 3.3Å; F205-V208 VanDerWaalsContact O-CG1 3.31Å; F205-V208 WeakPolarHBondContact O-CG1 3.4Å; V208-S211 PolarHBondContact O-N 3.43Å; V208-G212 PolarHBondContact O-N 3.39Å; V208-L726 HydrophobicContact CB-CD1 4.45Å; V208-L726 HydrophobicContact CG2-CD1 4.09Å
209	N	93.5	Very high	90.6	Very high	20 Å²	20	22.4 Å²	22.4	11%	0.107	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-44.1	176.3	-85.2	-77.8	0	0	0	111.4	Y158 G172 S176 F205 T206 L213	Y158-N209 WeakPolarHBondContact CE2-OD1 3.03Å; Y158-N209 PolarHBondContact OH-OD1 3.33Å; G172-N209 VanDerWaalsContact CA-OD1 3.29Å; G172-N209 WeakPolarHBondContact CA-OD1 3.4Å; S176-N209 PolarHBondContact OG-ND2 3.2Å; F205-N209 WeakPolarHBondContact O-CB 3.49Å; F205-N209 PolarHBondContact O-N 3.04Å; F205-N209 PolarHBondContact O-ND2 3.49Å; T206-N209 PolarHBondContact O-N 3.4Å; N209-L213 WeakPolarHBondContact O-CB 3.23Å; N209-L213 PolarHBondContact O-N 2.82Å
210	L	92.3	Very high	90.4	Very high	56 Å²	56	21.3 Å²	21.3	29%	0.293	11%	0.113	S	C	.	.	H	α-helix	trans	-64	-44.2	178	-178.1	61.9	0	0	0	111.7	T206 F214 L600 I603	T206-L210 WeakPolarHBondContact O-CB 3.31Å; T206-L210 PolarHBondContact O-N 2.92Å; L210-F214 WeakPolarHBondContact O-CB 3.26Å; L210-F214 PolarHBondContact O-N 3.02Å; L210-F214 VanDerWaalsContact O-N 3.14Å; L210-L600 HydrophobicContact CD1-CD1 3.98Å; L210-L600 HydrophobicContact CD2-CD1 3.63Å; L210-L600 HydrophobicContact CG-CD1 3.63Å; L210-I603 HydrophobicContact CD2-CG2 3.8Å
211	S	91	Very high	90.3	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-46.9	177.5	-56.8	0	0	0	0	111.9	S207 V208 F214 V215 L604	S207-S211 WeakPolarHBondContact O-CB 3.43Å; S207-S211 PolarHBondContact O-N 3.49Å; S207-S211 PolarHBondContact O-OG 2.85Å; V208-S211 PolarHBondContact O-N 3.43Å; S211-F214 PolarHBondContact O-N 3.35Å; S211-V215 WeakPolarHBondContact O-CG2 3.43Å; S211-V215 PolarHBondContact O-N 3.11Å; S211-L604 VanDerWaalsContact OG-CD1 3.28Å; S211-L604 WeakPolarHBondContact OG-CD1 3.46Å
212	G	91.9	Very high	90	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-44.9	179.4	0	0	0	0	0	112.7	V208 F214 V215 R216	V208-G212 PolarHBondContact O-N 3.39Å; G212-F214 VanDerWaalsContact C-N 3.29Å; G212-F214 PolarHBondContact O-N 2.97Å; G212-V215 PolarHBondContact O-N 3.24Å; G212-R216 WeakPolarHBondContact O-CB 3.33Å; G212-R216 PolarHBondContact O-N 3.43Å
213	L	92.2	Very high	89.6	Confident	49 Å²	49	25.2 Å²	25.2	26%	0.257	13%	0.126	S	C	.	.	H	α-helix	trans	-57.9	-43.7	175.8	178.4	58.9	0	0	0	111.5	Y158 T165 V169 N209 R216 I217	Y158-L213 HydrophobicContact CE1-CB 4.24Å; T165-L213 HydrophobicContact CG2-CD1 3.72Å; V169-L213 HydrophobicContact CG2-CD1 3.62Å; V169-L213 HydrophobicContact CG2-CD2 4.47Å; N209-L213 WeakPolarHBondContact O-CB 3.23Å; N209-L213 PolarHBondContact O-N 2.82Å; L213-R216 PolarHBondContact O-N 3.4Å; L213-I217 HydrophobicContact CD1-CD1 3.64Å; L213-I217 HydrophobicContact CD1-CG1 4.06Å; L213-I217 HydrophobicContact CG-CD1 3.79Å; L213-I217 VanDerWaalsContact O-CG1 3.31Å; L213-I217 WeakPolarHBondContact O-CG1 3.36Å; L213-I217 PolarHBondContact O-N 2.8Å
214	F	91.1	Very high	89.3	Confident	36 Å²	36	26.1 Å²	26.1	16%	0.158	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-47.8	179.4	-172.9	-101.4	0	0	0	112.4	L210 S211 G212 R216 I217 L218 A597 L600 L730	L210-F214 WeakPolarHBondContact O-CB 3.26Å; L210-F214 PolarHBondContact O-N 3.02Å; L210-F214 VanDerWaalsContact O-N 3.14Å; S211-F214 PolarHBondContact O-N 3.35Å; G212-F214 VanDerWaalsContact C-N 3.29Å; G212-F214 PolarHBondContact O-N 2.97Å; F214-R216 VanDerWaalsContact C-N 3.27Å; F214-R216 PolarHBondContact O-N 3.31Å; F214-I217 PolarHBondContact O-N 2.69Å; F214-L218 HydrophobicContact CD1-CD1 3.74Å; F214-L218 HydrophobicContact CD1-CG 4.15Å; F214-L218 HydrophobicContact CD2-CG 4.47Å; F214-L218 HydrophobicContact CE1-CD1 3.14Å; F214-L218 HydrophobicContact CE1-CG 3.93Å; F214-L218 HydrophobicContact CE2-CD1 4.11Å; F214-L218 HydrophobicContact CE2-CD2 4.4Å; F214-L218 HydrophobicContact CE2-CG 4.23Å; F214-L218 HydrophobicContact CG-CD1 4.46Å; F214-L218 HydrophobicContact CG-CG 4.44Å; F214-L218 HydrophobicContact CZ-CD1 3.36Å; F214-L218 HydrophobicContact CZ-CD2 4.34Å; F214-L218 HydrophobicContact CZ-CG 3.97Å; F214-L218 WeakPolarHBondContact O-CB 3.43Å; F214-L218 WeakPolarHBondContact O-CG 3.37Å; F214-L218 PolarHBondContact O-N 3.32Å; F214-A597 HydrophobicContact CE1-CB 4.04Å; F214-A597 HydrophobicContact CZ-CB 4.4Å; F214-L600 HydrophobicContact CB-CD2 3.34Å; F214-L600 HydrophobicContact CD1-CD2 3.56Å; F214-L600 HydrophobicContact CD2-CD2 3.75Å; F214-L600 HydrophobicContact CE1-CD2 4.18Å; F214-L600 HydrophobicContact CE2-CD2 4.38Å; F214-L600 HydrophobicContact CG-CD2 3.28Å; F214-L730 HydrophobicContact CD1-CD2 3.92Å
215	V	90.4	Very high	89	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-56.7	-43.5	176	170.2	0	0	0	0	111	S211 G212 T219 A729 L730	S211-V215 WeakPolarHBondContact O-CG2 3.43Å; S211-V215 PolarHBondContact O-N 3.11Å; G212-V215 PolarHBondContact O-N 3.24Å; V215-T219 VanDerWaalsContact O-CB 3.31Å; V215-T219 WeakPolarHBondContact O-CB 3.43Å; V215-T219 PolarHBondContact O-N 3.45Å; V215-T219 PolarHBondContact O-OG1 2.97Å; V215-A729 HydrophobicContact CG2-CB 4.06Å; V215-A729 WeakPolarHBondContact CG2-O 3.32Å; V215-L730 HydrophobicContact CG2-CD2 4.12Å
216	R	89.9	Confident	88.5	Confident	42 Å²	42	30.1 Å²	30.1	16%	0.158	15%	0.147	C	C	.	.	H	α-helix	trans	-61.1	-55.6	178.1	-177.4	71	-173.5	169.8	8.8	111.7	L161 V163 T165 G212 L213 F214 L218 T219 E220	L161-R216 PolarHBondContact O-NH1 2.87Å; V163-R216 PolarHBondContact O-NE 3.39Å; V163-R216 PolarHBondContact O-NH2 3.41Å; T165-R216 HydrophobicContact CG2-CG 4.35Å; G212-R216 WeakPolarHBondContact O-CB 3.33Å; G212-R216 PolarHBondContact O-N 3.43Å; L213-R216 PolarHBondContact O-N 3.4Å; F214-R216 VanDerWaalsContact C-N 3.27Å; F214-R216 PolarHBondContact O-N 3.31Å; R216-L218 VanDerWaalsContact C-N 3.34Å; R216-L218 PolarHBondContact O-N 3.16Å; R216-T219 PolarHBondContact O-N 3.47Å; R216-E220 PolarHBondContact O-N 3.49Å
217	I	88.4	Confident	88.1	Confident	49 Å²	49	27 Å²	27	25%	0.251	13%	0.128	S	C	.	.	H	α-helix	trans	-59.7	-44.7	-177.3	-70.3	170.6	0	0	0	110.9	T165 L213 F214 R221	T165-I217 HydrophobicContact CG2-CG1 4.18Å; L213-I217 HydrophobicContact CD1-CD1 3.64Å; L213-I217 HydrophobicContact CD1-CG1 4.06Å; L213-I217 HydrophobicContact CG-CD1 3.79Å; L213-I217 VanDerWaalsContact O-CG1 3.31Å; L213-I217 WeakPolarHBondContact O-CG1 3.36Å; L213-I217 PolarHBondContact O-N 2.8Å; F214-I217 PolarHBondContact O-N 2.69Å; I217-R221 HydrophobicContact CG2-CG 4.42Å; I217-R221 WeakPolarHBondContact O-CB 3.31Å; I217-R221 VanDerWaalsContact O-CG 3.28Å; I217-R221 WeakPolarHBondContact O-CG 3.45Å; I217-R221 PolarHBondContact O-N 3.4Å
218	L	86.7	Confident	87.8	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-67.1	-42.3	-178.6	-71.6	-163.5	0	0	0	112.6	F214 R216 R221 A222 Y593 L732	F214-L218 HydrophobicContact CD1-CD1 3.74Å; F214-L218 HydrophobicContact CD1-CG 4.15Å; F214-L218 HydrophobicContact CD2-CG 4.47Å; F214-L218 HydrophobicContact CE1-CD1 3.14Å; F214-L218 HydrophobicContact CE1-CG 3.93Å; F214-L218 HydrophobicContact CE2-CD1 4.11Å; F214-L218 HydrophobicContact CE2-CD2 4.4Å; F214-L218 HydrophobicContact CE2-CG 4.23Å; F214-L218 HydrophobicContact CG-CD1 4.46Å; F214-L218 HydrophobicContact CG-CG 4.44Å; F214-L218 HydrophobicContact CZ-CD1 3.36Å; F214-L218 HydrophobicContact CZ-CD2 4.34Å; F214-L218 HydrophobicContact CZ-CG 3.97Å; F214-L218 WeakPolarHBondContact O-CB 3.43Å; F214-L218 WeakPolarHBondContact O-CG 3.37Å; F214-L218 PolarHBondContact O-N 3.32Å; R216-L218 VanDerWaalsContact C-N 3.34Å; R216-L218 PolarHBondContact O-N 3.16Å; L218-R221 PolarHBondContact O-N 3.36Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 2.97Å; L218-Y593 HydrophobicContact CD1-CG 4.28Å; L218-Y593 HydrophobicContact CD2-CD1 3.41Å; L218-Y593 VanDerWaalsContact CD2-CD1 3.41Å; L218-Y593 HydrophobicContact CD2-CD2 4.28Å; L218-Y593 HydrophobicContact CD2-CE1 3.95Å; L218-Y593 HydrophobicContact CD2-CG 3.59Å; L218-Y593 HydrophobicContact CG-CG 4.49Å; L218-L732 HydrophobicContact CB-CD1 3.92Å; L218-L732 HydrophobicContact CB-CD2 3.69Å; L218-L732 HydrophobicContact CB-CG 4.47Å; L218-L732 HydrophobicContact CD1-CD1 3.52Å; L218-L732 HydrophobicContact CG-CD1 4.4Å
219	T	85	Confident	87.5	Confident	19 Å²	19	34.2 Å²	34.2	12%	0.117	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-48.2	178.5	-56.7	0	0	0	0	110.1	V215 R216 R221 A222 Q223 L793 K796	V215-T219 VanDerWaalsContact O-CB 3.31Å; V215-T219 WeakPolarHBondContact O-CB 3.43Å; V215-T219 PolarHBondContact O-N 3.45Å; V215-T219 PolarHBondContact O-OG1 2.97Å; R216-T219 PolarHBondContact O-N 3.47Å; T219-R221 PolarHBondContact O-N 2.99Å; T219-A222 PolarHBondContact O-N 3.35Å; T219-Q223 WeakPolarHBondContact O-CG 3.48Å; T219-Q223 PolarHBondContact O-N 2.91Å; T219-Q223 VanDerWaalsContact O-N 3.14Å; T219-L793 HydrophobicContact CG2-CD1 4.07Å; T219-K796 HydrophobicContact CG2-CD 4.31Å
220	E	85.2	Confident	87	Confident	26 Å²	26	33.2 Å²	33.2	12%	0.121	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-44.4	179.3	-175.9	171.5	-178.4	0	0	112.3	T165 R216 A222 Q223 R224	T165-E220 PolarHBondContact OG1-OE2 2.9Å; R216-E220 PolarHBondContact O-N 3.49Å; E220-A222 PolarHBondContact O-N 3.39Å; E220-Q223 PolarHBondContact O-N 3.29Å; E220-R224 HydrophobicContact CG-CG 4.49Å; E220-R224 WeakPolarHBondContact O-CG 3.46Å; E220-R224 PolarHBondContact O-N 2.85Å; E220-R224 IonicContact OE1-CZ 2.62Å; E220-R224 IonicContact OE1-NE 2.73Å; E220-R224 PolarHBondContact OE1-NE 3.12Å; E220-R224 IonicContact OE1-NH2 3.69Å; E220-R224 PolarHBondContact OE1-NH2 2.97Å
221	R	85.6	Confident	86.7	Confident	111 Å²	111	31.5 Å²	31.5	42%	0.419	15%	0.148	S	C	.	.	H	α-helix	trans	-63.4	-40.2	177.4	-75.1	-179.7	178.2	-180	1.4	112.8	I217 L218 T219 Q223 K225	I217-R221 HydrophobicContact CG2-CG 4.42Å; I217-R221 WeakPolarHBondContact O-CB 3.31Å; I217-R221 VanDerWaalsContact O-CG 3.28Å; I217-R221 WeakPolarHBondContact O-CG 3.45Å; I217-R221 PolarHBondContact O-N 3.4Å; L218-R221 PolarHBondContact O-N 3.36Å; T219-R221 PolarHBondContact O-N 2.99Å; R221-Q223 VanDerWaalsContact C-N 3.32Å; R221-Q223 PolarHBondContact O-N 3.35Å; R221-K225 WeakPolarHBondContact O-CB 3.39Å; R221-K225 PolarHBondContact O-N 3.41Å; R221-K225 VanDerWaalsContact O-N 3.08Å
222	A	83	Confident	86.4	Confident	16 Å²	16	35.2 Å²	35.2	13%	0.132	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-43.9	176.9	0	0	0	0	0	111.2	L218 T219 E220 A226 L797	L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 2.97Å; T219-A222 PolarHBondContact O-N 3.35Å; E220-A222 PolarHBondContact O-N 3.39Å; A222-A226 PolarHBondContact O-N 3.48Å; A222-L797 HydrophobicContact CB-CD2 4.24Å
223	Q	83.1	Confident	86.2	Confident	11 Å²	11	36 Å²	36	5%	0.051	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-48.3	178.7	-67.4	-169.5	-86.5	0	0	113.4	F41 N45 T219 E220 R221 K225 A226 F227	F41-Q223 HydrophobicContact CE2-CB 4.27Å; F41-Q223 HydrophobicContact CZ-CB 4.32Å; N45-Q223 PolarHBondContact OD1-NE2 3.09Å; T219-Q223 WeakPolarHBondContact O-CG 3.48Å; T219-Q223 PolarHBondContact O-N 2.91Å; T219-Q223 VanDerWaalsContact O-N 3.14Å; E220-Q223 PolarHBondContact O-N 3.29Å; R221-Q223 VanDerWaalsContact C-N 3.32Å; R221-Q223 PolarHBondContact O-N 3.35Å; Q223-K225 PolarHBondContact O-N 3.05Å; Q223-A226 PolarHBondContact O-N 2.76Å; Q223-F227 WeakPolarHBondContact O-CB 3.35Å; Q223-F227 PolarHBondContact O-N 3.04Å
224	R	85.5	Confident	85.8	Confident	33 Å²	33	34 Å²	34	13%	0.125	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-38	179.6	-72.2	-178.3	179.9	-83.3	-0.3	110.8	D30 F32 E38 F41 E220 L228	D30-R224 PolarHBondContact O-NE 3.43Å; D30-R224 PolarHBondContact O-NH1 2.82Å; D30-R224 VanDerWaalsContact O-NH1 3.13Å; D30-R224 PolarHBondContact O-NH2 3.22Å; F32-R224 HydrophobicContact CZ-CB 4.11Å; F32-R224 HydrophobicContact CZ-CG 4.13Å; E38-R224 IonicContact OE1-CZ 3.47Å; E38-R224 IonicContact OE1-NH1 3.36Å; E38-R224 PolarHBondContact OE1-NH1 3.35Å; E38-R224 VanDerWaalsContact OE1-NH1 3.16Å; E38-R224 IonicContact OE1-NH2 3.02Å; E38-R224 PolarHBondContact OE1-NH2 3.23Å; E38-R224 IonicContact OE2-CZ 3.99Å; E38-R224 IonicContact OE2-NH1 3.81Å; E38-R224 PolarHBondContact OE2-NH1 2.94Å; E38-R224 IonicContact OE2-NH2 3.04Å; F41-R224 HydrophobicContact CE1-CG 4.01Å; F41-R224 HydrophobicContact CE2-CG 3.8Å; F41-R224 HydrophobicContact CZ-CG 3.47Å; F41-R224 VanDerWaalsContact CZ-CG 3.47Å; E220-R224 HydrophobicContact CG-CG 4.49Å; E220-R224 WeakPolarHBondContact O-CG 3.46Å; E220-R224 PolarHBondContact O-N 2.85Å; E220-R224 IonicContact OE1-CZ 2.62Å; E220-R224 IonicContact OE1-NE 2.73Å; E220-R224 PolarHBondContact OE1-NE 3.12Å; E220-R224 IonicContact OE1-NH2 3.69Å; E220-R224 PolarHBondContact OE1-NH2 2.97Å; R224-L228 WeakPolarHBondContact O-CB 3.34Å; R224-L228 WeakPolarHBondContact O-CG 3.36Å; R224-L228 PolarHBondContact O-N 3.38Å
225	K	84.4	Confident	85.5	Confident	75 Å²	75	35.6 Å²	35.6	33%	0.326	17%	0.17	S	C	.	.	H	α-helix	trans	-63.5	-48.7	174.6	-171.7	179.8	-177.2	-176.5	0	111.6	R221 Q223 L228 Q229 E592	R221-K225 WeakPolarHBondContact O-CB 3.39Å; R221-K225 PolarHBondContact O-N 3.41Å; R221-K225 VanDerWaalsContact O-N 3.08Å; Q223-K225 PolarHBondContact O-N 3.05Å; K225-L228 PolarHBondContact O-N 2.91Å; K225-Q229 WeakPolarHBondContact O-CG 3.49Å; K225-Q229 PolarHBondContact O-N 2.73Å; K225-E592 IonicContact NZ-OE1 2.67Å; K225-E592 PolarHBondContact NZ-OE1 3.08Å; K225-E592 IonicContact NZ-OE2 3.21Å; K225-E592 PolarHBondContact NZ-OE2 2.97Å
226	A	82.1	Confident	85.2	Confident	13 Å²	13	39.4 Å²	39.4	11%	0.107	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-45.4	179	0	0	0	0	0	112.1	A222 Q223 L228 Q229 A230 D800	A222-A226 PolarHBondContact O-N 3.48Å; Q223-A226 PolarHBondContact O-N 2.76Å; A226-L228 PolarHBondContact O-N 3.22Å; A226-Q229 PolarHBondContact O-N 3.47Å; A226-A230 PolarHBondContact O-N 3.31Å; A226-D800 HydrophobicContact CB-CB 3.94Å
227	F	85.3	Confident	85	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-45.4	176	175.2	-93.6	0	0	0	112.3	F32 L37 L40 F41 Y44 Q223 A230 R231 W803	F32-F227 HydrophobicContact CE2-CD1 4.17Å; F32-F227 HydrophobicContact CE2-CE1 4.24Å; F32-F227 HydrophobicContact CZ-CD1 4.05Å; F32-F227 HydrophobicContact CZ-CE1 4.48Å; L37-F227 HydrophobicContact CD1-CE1 3.59Å; L37-F227 HydrophobicContact CD1-CZ 4.04Å; L37-F227 HydrophobicContact CG-CE1 4.08Å; L40-F227 HydrophobicContact CB-CZ 4.03Å; F41-F227 HydrophobicContact CB-CD1 4.41Å; F41-F227 HydrophobicContact CB-CE1 4.12Å; F41-F227 HydrophobicContact CB-CE2 4.46Å; F41-F227 HydrophobicContact CB-CZ 4.19Å; F41-F227 HydrophobicContact CD2-CB 4.02Å; F41-F227 HydrophobicContact CD2-CD1 4.04Å; F41-F227 HydrophobicContact CD2-CD2 4.1Å; F41-F227 AromaticContact CD2-CG 3.8Å; F41-F227 HydrophobicContact CD2-CG 3.8Å; F41-F227 HydrophobicContact CE2-CB 4.3Å; Y44-F227 HydrophobicContact CD1-CD2 4.14Å; Y44-F227 HydrophobicContact CG-CD2 4.1Å; Y44-F227 HydrophobicContact CG-CE2 4.47Å; Q223-F227 WeakPolarHBondContact O-CB 3.35Å; Q223-F227 PolarHBondContact O-N 3.04Å; F227-A230 PolarHBondContact O-N 2.98Å; F227-R231 WeakPolarHBondContact O-CB 3.33Å; F227-R231 PolarHBondContact O-N 3.28Å; F227-W803 HydrophobicContact CB-CZ3 4.15Å; F227-W803 AromaticContact CD2-CH2 3.35Å; F227-W803 HydrophobicContact CD2-CH2 3.35Å; F227-W803 AromaticContact CD2-CZ3 3.57Å; F227-W803 HydrophobicContact CD2-CZ3 3.57Å; F227-W803 AromaticContact CE2-CH2 3.78Å; F227-W803 HydrophobicContact CE2-CH2 3.78Å; F227-W803 HydrophobicContact CE2-CZ3 4.41Å; F227-W803 HydrophobicContact CG-CH2 4.27Å; F227-W803 HydrophobicContact CG-CZ3 4.27Å
228	L	85.1	Confident	84.7	Confident	53 Å²	53	37.3 Å²	37.3	28%	0.277	18%	0.177	S	C	.	.	H	α-helix	trans	-64.2	-40.7	177.1	-79.6	178.6	0	0	0	112.6	F32 L37 R224 K225 A226 R231 N232	F32-L228 HydrophobicContact CD1-CD2 4.24Å; F32-L228 HydrophobicContact CE1-CD1 3.7Å; F32-L228 HydrophobicContact CE1-CD2 3.67Å; F32-L228 HydrophobicContact CE1-CG 3.61Å; F32-L228 HydrophobicContact CZ-CD1 4.48Å; F32-L228 HydrophobicContact CZ-CD2 4.22Å; F32-L228 HydrophobicContact CZ-CG 4.03Å; L37-L228 HydrophobicContact CD2-CD2 4.05Å; R224-L228 WeakPolarHBondContact O-CB 3.34Å; R224-L228 WeakPolarHBondContact O-CG 3.36Å; R224-L228 PolarHBondContact O-N 3.38Å; K225-L228 PolarHBondContact O-N 2.91Å; A226-L228 PolarHBondContact O-N 3.22Å; L228-R231 PolarHBondContact O-N 3.33Å; L228-N232 PolarHBondContact O-N 3.43Å; L228-N232 PolarHBondContact O-ND2 3.37Å
229	Q	84.8	Confident	84.5	Confident	99 Å²	99	44.2 Å²	44.2	46%	0.463	20%	0.203	S	C	.	.	H	α-helix	trans	-62	-50.7	176.4	-75.4	177.2	-41	0	0	110.9	K225 A226 R231 N232 C233	K225-Q229 WeakPolarHBondContact O-CG 3.49Å; K225-Q229 PolarHBondContact O-N 2.73Å; A226-Q229 PolarHBondContact O-N 3.47Å; Q229-R231 VanDerWaalsContact C-N 3.32Å; Q229-R231 PolarHBondContact O-N 2.99Å; Q229-N232 PolarHBondContact O-N 3.03Å; Q229-N232 VanDerWaalsContact O-N 3.15Å; Q229-C233 PolarHBondContact O-N 3.18Å; Q229-C233 PolarHBondContact O-SG 3.35Å; Q229-C233 VanDerWaalsContact O-SG 3.41Å
230	A	84	Confident	84.2	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-43.6	177.3	0	0	0	0	0	111.9	A226 F227 N232 C233 I234 W803 A807	A226-A230 PolarHBondContact O-N 3.31Å; F227-A230 PolarHBondContact O-N 2.98Å; A230-N232 PolarHBondContact O-N 3.47Å; A230-C233 PolarHBondContact O-N 3.27Å; A230-I234 VanDerWaalsContact O-CG1 3.28Å; A230-I234 WeakPolarHBondContact O-CG1 3.35Å; A230-I234 PolarHBondContact O-N 3.2Å; A230-W803 HydrophobicContact CB-CD2 3.77Å; A230-W803 HydrophobicContact CB-CE3 4.07Å; A230-W803 HydrophobicContact CB-CG 4.23Å; A230-W803 HydrophobicContact CB-CH2 4.25Å; A230-W803 HydrophobicContact CB-CZ2 3.93Å; A230-W803 HydrophobicContact CB-CZ3 4.29Å; A230-A807 HydrophobicContact CB-CB 4.34Å
231	R	85.2	Confident	84	Confident	20 Å²	20	44.8 Å²	44.8	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-45.5	174.9	169.7	170.7	174	-111.2	-27.8	112.4	L37 F227 L228 Q229 C233 I234 E235 I554	L37-R231 VanDerWaalsContact CD2-NH1 3.31Å; F227-R231 WeakPolarHBondContact O-CB 3.33Å; F227-R231 PolarHBondContact O-N 3.28Å; L228-R231 PolarHBondContact O-N 3.33Å; Q229-R231 VanDerWaalsContact C-N 3.32Å; Q229-R231 PolarHBondContact O-N 2.99Å; R231-C233 VanDerWaalsContact C-N 3.34Å; R231-I234 PolarHBondContact O-N 3.1Å; R231-E235 IonicContact CZ-OE2 2.92Å; R231-E235 IonicContact NH2-OE2 3.32Å; R231-E235 PolarHBondContact NH2-OE2 2.76Å; R231-E235 WeakPolarHBondContact O-CB 3.43Å; R231-E235 PolarHBondContact O-N 3.25Å; R231-I554 HydrophobicContact CB-CD1 3.96Å; R231-I554 HydrophobicContact CG-CD1 3.64Å
232	N	86.3	Confident	83.7	Confident	80 Å²	80	42.2 Å²	42.2	43%	0.428	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-41.4	-179.8	-70	-16.5	0	0	0	111.1	L228 Q229 A230 I234 E235 E236	L228-N232 PolarHBondContact O-N 3.43Å; L228-N232 PolarHBondContact O-ND2 3.37Å; Q229-N232 PolarHBondContact O-N 3.03Å; Q229-N232 VanDerWaalsContact O-N 3.15Å; A230-N232 PolarHBondContact O-N 3.47Å; N232-I234 VanDerWaalsContact C-N 3.35Å; N232-I234 PolarHBondContact O-N 2.96Å; N232-E235 PolarHBondContact O-N 3.46Å; N232-E236 WeakPolarHBondContact O-CG 3.28Å; N232-E236 PolarHBondContact O-N 3.32Å
233	C	86.1	Confident	83.3	Confident	17 Å²	17	44.8 Å²	44.8	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-43.7	174.1	-65.8	0	0	0	0	111.7	Q229 A230 R231 E236 R237 A807	Q229-C233 PolarHBondContact O-N 3.18Å; Q229-C233 PolarHBondContact O-SG 3.35Å; Q229-C233 VanDerWaalsContact O-SG 3.41Å; A230-C233 PolarHBondContact O-N 3.27Å; R231-C233 VanDerWaalsContact C-N 3.34Å; C233-E236 PolarHBondContact O-N 3.24Å; C233-R237 VanDerWaalsContact O-CB 3.31Å; C233-R237 WeakPolarHBondContact O-CB 3.47Å; C233-R237 PolarHBondContact O-N 3.08Å; C233-A807 HydrophobicContact CB-CB 4.05Å
234	I	84.9	Confident	83.2	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-40.8	176.6	-67.4	165.7	0	0	0	111.4	A230 R231 N232 R237 L238 Y553 I554 L557 A807	A230-I234 VanDerWaalsContact O-CG1 3.28Å; A230-I234 WeakPolarHBondContact O-CG1 3.35Å; A230-I234 PolarHBondContact O-N 3.2Å; R231-I234 PolarHBondContact O-N 3.1Å; N232-I234 VanDerWaalsContact C-N 3.35Å; N232-I234 PolarHBondContact O-N 2.96Å; I234-R237 PolarHBondContact O-N 3.07Å; I234-L238 HydrophobicContact CG2-CD1 4.04Å; I234-L238 HydrophobicContact CG2-CG 4.45Å; I234-L238 WeakPolarHBondContact O-CB 3.47Å; I234-L238 WeakPolarHBondContact O-CG 3.24Å; I234-L238 PolarHBondContact O-N 3.46Å; I234-Y553 HydrophobicContact CG2-CD1 3.74Å; I234-Y553 HydrophobicContact CG2-CE1 4.04Å; I234-I554 HydrophobicContact CD1-CG1 4.14Å; I234-I554 HydrophobicContact CG2-CG1 4.11Å; I234-L557 HydrophobicContact CD1-CD1 4.19Å; I234-A807 HydrophobicContact CG1-CB 4.22Å
235	E	84.8	Confident	82.8	Confident	71 Å²	71	46.4 Å²	46.4	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-44.8	176.6	-178.5	165.8	171.7	0	0	111.3	R231 N232 R239 V550	R231-E235 IonicContact CZ-OE2 2.92Å; R231-E235 IonicContact NH2-OE2 3.32Å; R231-E235 PolarHBondContact NH2-OE2 2.76Å; R231-E235 WeakPolarHBondContact O-CB 3.43Å; R231-E235 PolarHBondContact O-N 3.25Å; N232-E235 PolarHBondContact O-N 3.46Å; E235-R239 WeakPolarHBondContact O-CB 3.41Å; E235-R239 PolarHBondContact O-N 3.39Å; E235-V550 HydrophobicContact CB-CG1 4.17Å; E235-V550 HydrophobicContact CB-CG2 4.21Å; E235-V550 HydrophobicContact CG-CG2 4.03Å
236	E	83.4	Confident	82.3	Confident	82 Å²	82	45.2 Å²	45.2	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-63	-43.9	173.7	-73.2	176.4	173.7	0	0	112	N232 C233 R239 M240 R811	N232-E236 WeakPolarHBondContact O-CG 3.28Å; N232-E236 PolarHBondContact O-N 3.32Å; C233-E236 PolarHBondContact O-N 3.24Å; E236-R239 PolarHBondContact O-N 3.16Å; E236-M240 WeakPolarHBondContact O-CG 3.16Å; E236-M240 PolarHBondContact O-N 3.25Å; E236-R811 HydrophobicContact CB-CG 4.41Å; E236-R811 WeakPolarHBondContact OE2-CD 3.49Å; E236-R811 IonicContact OE2-NH1 3.8Å; E236-R811 PolarHBondContact OE2-NH1 2.65Å
237	R	86.7	Confident	81.9	Confident	36 Å²	36	45 Å²	45	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-46.7	177	-179.1	-100	176.2	-141.2	-11.6	111.7	C233 I234 M240 E241 R811 M814	C233-R237 VanDerWaalsContact O-CB 3.31Å; C233-R237 WeakPolarHBondContact O-CB 3.47Å; C233-R237 PolarHBondContact O-N 3.08Å; I234-R237 PolarHBondContact O-N 3.07Å; R237-M240 PolarHBondContact O-N 3.06Å; R237-E241 IonicContact CZ-OE1 3.65Å; R237-E241 IonicContact CZ-OE2 2.91Å; R237-E241 IonicContact NH1-OE1 2.9Å; R237-E241 PolarHBondContact NH1-OE1 3.28Å; R237-E241 VanDerWaalsContact NH1-OE1 3.15Å; R237-E241 IonicContact NH1-OE2 2.89Å; R237-E241 PolarHBondContact NH1-OE2 3.28Å; R237-E241 IonicContact NH2-OE1 3.95Å; R237-E241 PolarHBondContact NH2-OE1 2.93Å; R237-E241 IonicContact NH2-OE2 3.66Å; R237-E241 WeakPolarHBondContact O-CB 3.38Å; R237-E241 PolarHBondContact O-N 2.93Å; R237-R811 HydrophobicContact CB-CB 4.17Å; R237-R811 HydrophobicContact CB-CG 4.37Å; R237-M814 HydrophobicContact CG-CB 4.1Å; R237-M814 HydrophobicContact CG-CG 4.43Å
238	L	82.4	Confident	81.5	Confident	10 Å²	10	48 Å²	48	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-38.6	176.8	-73.3	170.8	0	0	0	112	I234 E241 D242 V550 Y553	I234-L238 HydrophobicContact CG2-CD1 4.04Å; I234-L238 HydrophobicContact CG2-CG 4.45Å; I234-L238 WeakPolarHBondContact O-CB 3.47Å; I234-L238 WeakPolarHBondContact O-CG 3.24Å; I234-L238 PolarHBondContact O-N 3.46Å; L238-E241 PolarHBondContact O-N 3.3Å; L238-D242 PolarHBondContact O-N 3.44Å; L238-V550 HydrophobicContact CD1-CB 4.32Å; L238-V550 HydrophobicContact CD1-CG2 3.86Å; L238-Y553 HydrophobicContact CD1-CD1 4.02Å; L238-Y553 HydrophobicContact CD1-CG 4.28Å; L238-Y553 HydrophobicContact CD2-CD1 4.38Å; L238-Y553 HydrophobicContact CD2-CG 4.48Å; L238-Y553 HydrophobicContact CG-CD1 4.5Å
239	R	80.8	Confident	81	Confident	150 Å²	150	50.1 Å²	50.1	57%	0.566	23%	0.228	S	C	*	.	H	α-helix	trans	-63.2	-43.2	174	-171.8	-176.2	72.8	175.2	-0.3	111.3	E235 E236 E241 D242 E243	E235-R239 WeakPolarHBondContact O-CB 3.41Å; E235-R239 PolarHBondContact O-N 3.39Å; E236-R239 PolarHBondContact O-N 3.16Å; R239-E241 VanDerWaalsContact C-N 3.35Å; R239-D242 PolarHBondContact O-N 3.42Å; R239-E243 IonicContact NE-OE1 3.65Å; R239-E243 WeakPolarHBondContact O-CG 3.42Å; R239-E243 PolarHBondContact O-N 2.89Å
240	M	80.5	Confident	80.5	Confident	14 Å²	14	45.4 Å²	45.4	7%	0.069	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-36.7	177	-71.4	-168.2	-66.7	0	0	112.3	E236 R237 E243 N244 R811 M814 E815 K818	E236-M240 WeakPolarHBondContact O-CG 3.16Å; E236-M240 PolarHBondContact O-N 3.25Å; R237-M240 PolarHBondContact O-N 3.06Å; M240-E243 PolarHBondContact O-N 3.07Å; M240-N244 WeakPolarHBondContact O-CB 3.07Å; M240-N244 PolarHBondContact O-N 3.09Å; M240-R811 HydrophobicContact CE-CB 4.49Å; M240-R811 HydrophobicContact CE-CG 3.39Å; M240-R811 WeakPolarHBondContact CE-O 3.26Å; M240-M814 HydrophobicContact CB-CG 3.78Å; M240-E815 HydrophobicContact CE-CB 4.09Å; M240-E815 HydrophobicContact SD-CB 3.82Å; M240-E815 HydrophobicContact SD-CG 4.19Å; M240-K818 HydrophobicContact CB-CD 4.25Å; M240-K818 HydrophobicContact CG-CD 4.18Å; M240-K818 HydrophobicContact SD-CD 4.44Å
241	E	80.9	Confident	80.1	Confident	44 Å²	44	45.6 Å²	45.6	21%	0.206	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-46.4	173.1	-172	173.3	-126.1	0	0	111.3	R237 L238 R239 E243 N244 E245 M814	R237-E241 IonicContact CZ-OE1 3.65Å; R237-E241 IonicContact CZ-OE2 2.91Å; R237-E241 IonicContact NH1-OE1 2.9Å; R237-E241 PolarHBondContact NH1-OE1 3.28Å; R237-E241 VanDerWaalsContact NH1-OE1 3.15Å; R237-E241 IonicContact NH1-OE2 2.89Å; R237-E241 PolarHBondContact NH1-OE2 3.28Å; R237-E241 IonicContact NH2-OE1 3.95Å; R237-E241 PolarHBondContact NH2-OE1 2.93Å; R237-E241 IonicContact NH2-OE2 3.66Å; R237-E241 WeakPolarHBondContact O-CB 3.38Å; R237-E241 PolarHBondContact O-N 2.93Å; L238-E241 PolarHBondContact O-N 3.3Å; R239-E241 VanDerWaalsContact C-N 3.35Å; E241-E243 VanDerWaalsContact C-N 3.33Å; E241-E243 PolarHBondContact O-N 3.25Å; E241-N244 WeakPolarHBondContact O-CB 3.44Å; E241-N244 PolarHBondContact O-N 3.45Å; E241-N244 VanDerWaalsContact O-N 3.16Å; E241-E245 WeakPolarHBondContact O-CG 3.41Å; E241-E245 PolarHBondContact O-N 3.48Å; E241-M814 HydrophobicContact CB-CE 3.82Å; E241-M814 HydrophobicContact CB-SD 4.15Å; E241-M814 HydrophobicContact CG-CE 3.85Å
242	D	77.7	Confident	79.6	Confident	57 Å²	57	47 Å²	47	31%	0.305	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-39.8	176.1	-73.7	-15.6	0	0	0	112.2	L238 R239 K246 R549	L238-D242 PolarHBondContact O-N 3.44Å; R239-D242 PolarHBondContact O-N 3.42Å; D242-K246 WeakPolarHBondContact O-CG 3.35Å; D242-K246 PolarHBondContact O-N 2.7Å; D242-R549 IonicContact OD1-CZ 3.14Å; D242-R549 VanDerWaalsContact OD1-CZ 3.3Å; D242-R549 IonicContact OD1-NH1 3.26Å; D242-R549 PolarHBondContact OD1-NH1 3.4Å; D242-R549 IonicContact OD1-NH2 3.42Å; D242-R549 PolarHBondContact OD1-NH2 3.45Å; D242-R549 IonicContact OD2-CZ 3.07Å; D242-R549 IonicContact OD2-NH1 3.36Å; D242-R549 PolarHBondContact OD2-NH1 3.08Å
243	E	75.4	Confident	78.9	Confident	69 Å²	69	44 Å²	44	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-67.7	-38.8	174.3	-72	175	-156.4	0	0	111.9	R239 M240 E241 K246 Q247 K818	R239-E243 IonicContact NE-OE1 3.65Å; R239-E243 WeakPolarHBondContact O-CG 3.42Å; R239-E243 PolarHBondContact O-N 2.89Å; M240-E243 PolarHBondContact O-N 3.07Å; E241-E243 VanDerWaalsContact C-N 3.33Å; E241-E243 PolarHBondContact O-N 3.25Å; E243-K246 WeakPolarHBondContact O-CB 3.28Å; E243-K246 PolarHBondContact O-N 2.7Å; E243-Q247 WeakPolarHBondContact O-CG 3.39Å; E243-Q247 PolarHBondContact O-N 3.39Å; E243-Q247 VanDerWaalsContact O-N 3.1Å; E243-K818 WeakPolarHBondContact OE2-CE 3.37Å; E243-K818 IonicContact OE2-NZ 2.92Å; E243-K818 PolarHBondContact OE2-NZ 2.99Å
244	N	81.3	Confident	78.3	Confident	12 Å²	12	44.7 Å²	44.7	6%	0.064	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-43.2	178.4	-173.8	59.6	0	0	0	111.7	M240 E241 K246 Q247 E248 M814 K818 N821	M240-N244 WeakPolarHBondContact O-CB 3.07Å; M240-N244 PolarHBondContact O-N 3.09Å; E241-N244 WeakPolarHBondContact O-CB 3.44Å; E241-N244 PolarHBondContact O-N 3.45Å; E241-N244 VanDerWaalsContact O-N 3.16Å; N244-K246 VanDerWaalsContact C-N 3.28Å; N244-K246 PolarHBondContact O-N 3.04Å; N244-Q247 WeakPolarHBondContact O-CB 3.33Å; N244-Q247 PolarHBondContact O-N 2.88Å; N244-Q247 VanDerWaalsContact O-N 3.15Å; N244-E248 PolarHBondContact O-N 3.26Å; N244-M814 HydrophobicContact CB-SD 4.32Å; N244-K818 HydrophobicContact CB-CB 4.44Å; N244-K818 WeakPolarHBondContact OD1-CA 3.34Å; N244-N821 PolarHBondContact OD1-ND2 3.39Å
245	E	77.6	Confident	78	Confident	67 Å²	67	44.5 Å²	44.5	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-59.2	-39.9	174.1	-77.3	-173.8	-176.3	0	0	111.6	E241 E248 R249	E241-E245 WeakPolarHBondContact O-CG 3.41Å; E241-E245 PolarHBondContact O-N 3.48Å; E245-E248 PolarHBondContact O-N 3.5Å; E245-R249 WeakPolarHBondContact O-CB 3.28Å; E245-R249 VanDerWaalsContact O-CG 3.28Å; E245-R249 WeakPolarHBondContact O-CG 3.47Å; E245-R249 PolarHBondContact O-N 2.85Å; E245-R249 IonicContact OE2-CZ 3.49Å; E245-R249 IonicContact OE2-NH1 3.15Å; E245-R249 IonicContact OE2-NH2 2.69Å; E245-R249 PolarHBondContact OE2-NH2 3.06Å
246	K	72.9	Confident	77.7	Confident	50 Å²	50	42.1 Å²	42.1	22%	0.217	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-44.5	174.9	-72.9	175.5	176.8	-167.6	0	111.4	D242 E243 N244 L250 M512 N841	D242-K246 WeakPolarHBondContact O-CG 3.35Å; D242-K246 PolarHBondContact O-N 2.7Å; E243-K246 WeakPolarHBondContact O-CB 3.28Å; E243-K246 PolarHBondContact O-N 2.7Å; N244-K246 VanDerWaalsContact C-N 3.28Å; N244-K246 PolarHBondContact O-N 3.04Å; K246-L250 WeakPolarHBondContact O-CB 3.46Å; K246-L250 PolarHBondContact O-N 3.33Å; K246-M512 HydrophobicContact CD-SD 3.94Å; K246-M512 HydrophobicContact CG-SD 4.27Å; K246-N841 PolarHBondContact NZ-OD1 2.88Å; K246-N841 VanDerWaalsContact NZ-OD1 3.14Å
247	Q	74.3	Confident	77.4	Confident	9 Å²	9	47 Å²	47	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-40.4	176.9	-70.1	173.6	-8.5	0	0	112.1	E243 N244 L250 L251 K818 N821 L838	E243-Q247 WeakPolarHBondContact O-CG 3.39Å; E243-Q247 PolarHBondContact O-N 3.39Å; E243-Q247 VanDerWaalsContact O-N 3.1Å; N244-Q247 WeakPolarHBondContact O-CB 3.33Å; N244-Q247 PolarHBondContact O-N 2.88Å; N244-Q247 VanDerWaalsContact O-N 3.15Å; Q247-L250 VanDerWaalsContact O-CB 3.29Å; Q247-L250 WeakPolarHBondContact O-CB 3.4Å; Q247-L250 PolarHBondContact O-N 3.46Å; Q247-L251 PolarHBondContact O-N 3.35Å; Q247-K818 PolarHBondContact OE1-O 3.43Å; Q247-N821 HydrophobicContact CB-CB 4.33Å; Q247-L838 HydrophobicContact CG-CD2 4.06Å
248	E	77.1	Confident	77	Confident	63 Å²	63	51.1 Å²	51.1	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-67.8	-43	178.3	-174.5	171.5	-171.4	0	0	111.7	N244 E245 L250 L251 M252	N244-E248 PolarHBondContact O-N 3.26Å; E245-E248 PolarHBondContact O-N 3.5Å; E248-L250 PolarHBondContact O-N 3.41Å; E248-L251 WeakPolarHBondContact O-CB 3.49Å; E248-L251 PolarHBondContact O-N 2.91Å; E248-M252 HydrophobicContact CG-CE 4.28Å; E248-M252 HydrophobicContact CG-CG 4.47Å; E248-M252 WeakPolarHBondContact O-CG 3.27Å; E248-M252 PolarHBondContact O-N 3.36Å
249	R	74.2	Confident	77	Confident	97 Å²	97	50.8 Å²	50.8	37%	0.366	23%	0.23	S	C	.	.	H	α-helix	trans	-60.7	-37.4	173.4	-71.9	177.3	-165	128.4	13.8	111.9	E245 M252 S253 V511	E245-R249 WeakPolarHBondContact O-CB 3.28Å; E245-R249 VanDerWaalsContact O-CG 3.28Å; E245-R249 WeakPolarHBondContact O-CG 3.47Å; E245-R249 PolarHBondContact O-N 2.85Å; E245-R249 IonicContact OE2-CZ 3.49Å; E245-R249 IonicContact OE2-NH1 3.15Å; E245-R249 IonicContact OE2-NH2 2.69Å; E245-R249 PolarHBondContact OE2-NH2 3.06Å; R249-M252 PolarHBondContact O-N 3.46Å; R249-S253 PolarHBondContact O-N 3.49Å; R249-S253 VanDerWaalsContact O-N 3.1Å; R249-V511 HydrophobicContact CB-CG1 3.54Å
250	L	74.2	Confident	76.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-48.6	176	-165.7	62.1	0	0	0	111.2	K246 Q247 E248 M252 S253 F508 L825 L838	K246-L250 WeakPolarHBondContact O-CB 3.46Å; K246-L250 PolarHBondContact O-N 3.33Å; Q247-L250 VanDerWaalsContact O-CB 3.29Å; Q247-L250 WeakPolarHBondContact O-CB 3.4Å; Q247-L250 PolarHBondContact O-N 3.46Å; E248-L250 PolarHBondContact O-N 3.41Å; L250-M252 PolarHBondContact O-N 3.11Å; L250-S253 WeakPolarHBondContact O-CB 3.42Å; L250-S253 PolarHBondContact O-N 3Å; L250-S253 VanDerWaalsContact O-N 3.16Å; L250-S253 PolarHBondContact O-OG 3.41Å; L250-F508 HydrophobicContact CD1-CB 4.41Å; L250-F508 HydrophobicContact CD1-CD1 2.92Å; L250-F508 HydrophobicContact CD1-CE1 2.93Å; L250-F508 HydrophobicContact CD1-CG 3.8Å; L250-F508 HydrophobicContact CD1-CZ 3.89Å; L250-F508 HydrophobicContact CG-CD1 4.33Å; L250-F508 HydrophobicContact CG-CE1 4.03Å; L250-L825 HydrophobicContact CB-CD1 4.28Å; L250-L825 HydrophobicContact CD2-CD1 3.33Å; L250-L825 HydrophobicContact CD2-CD2 3.51Å; L250-L825 HydrophobicContact CD2-CG 4.03Å; L250-L825 HydrophobicContact CG-CD1 3.61Å; L250-L838 HydrophobicContact CD2-CD2 4.33Å
251	L	75.6	Confident	76.9	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-47.3	174.4	175	59.3	0	0	0	111.9	Q247 E248 S253 L254 L255 I824 L828	Q247-L251 PolarHBondContact O-N 3.35Å; E248-L251 WeakPolarHBondContact O-CB 3.49Å; E248-L251 PolarHBondContact O-N 2.91Å; L251-S253 PolarHBondContact O-N 2.85Å; L251-L254 PolarHBondContact O-N 3.21Å; L251-L254 VanDerWaalsContact O-N 3.1Å; L251-L255 PolarHBondContact O-N 2.94Å; L251-I824 HydrophobicContact CD1-CG2 3.61Å; L251-I824 HydrophobicContact CD2-CG2 3.97Å; L251-I824 HydrophobicContact CG-CG2 4.44Å; L251-L828 HydrophobicContact CD1-CD1 3.39Å
252	M	74.4	Confident	77	Confident	48 Å²	48	48.8 Å²	48.8	24%	0.236	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-16.3	179.9	-64.6	-66.4	172.1	0	0	113.8	E248 R249 L250 R257 A260 M261	E248-M252 HydrophobicContact CG-CE 4.28Å; E248-M252 HydrophobicContact CG-CG 4.47Å; E248-M252 WeakPolarHBondContact O-CG 3.27Å; E248-M252 PolarHBondContact O-N 3.36Å; R249-M252 PolarHBondContact O-N 3.46Å; L250-M252 PolarHBondContact O-N 3.11Å; M252-R257 HydrophobicContact CE-CG 4.35Å; M252-R257 HydrophobicContact SD-CB 4.14Å; M252-R257 HydrophobicContact SD-CG 3.85Å; M252-A260 HydrophobicContact SD-CB 4.18Å; M252-M261 HydrophobicContact CE-CG 4.19Å; M252-M261 HydrophobicContact CE-SD 3.67Å
253	S	72.2	Confident	77.1	Confident	18 Å²	18	46.1 Å²	46.1	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-79.7	-26.9	173.2	76	0	0	0	0	112.8	R249 L250 L251 R996	R249-S253 PolarHBondContact O-N 3.49Å; R249-S253 VanDerWaalsContact O-N 3.1Å; L250-S253 WeakPolarHBondContact O-CB 3.42Å; L250-S253 PolarHBondContact O-N 3Å; L250-S253 VanDerWaalsContact O-N 3.16Å; L250-S253 PolarHBondContact O-OG 3.41Å; L251-S253 PolarHBondContact O-N 2.85Å; S253-R996 WeakPolarHBondContact O-CD 3.44Å; S253-R996 WeakPolarHBondContact O-CG 3.39Å
254	L	73.3	Confident	77.2	Confident	31 Å²	31	44.5 Å²	44.5	16%	0.162	21%	0.206	C	C	.	.	H	α-helix	trans	-90.5	-33.5	-174.5	-64.7	172.1	0	0	0	112.5	L251 L828 L829 P997	L251-L254 PolarHBondContact O-N 3.21Å; L251-L254 VanDerWaalsContact O-N 3.1Å; L254-L828 HydrophobicContact CB-CD1 4.13Å; L254-L828 HydrophobicContact CD1-CB 3.79Å; L254-L828 HydrophobicContact CD1-CD1 3.69Å; L254-L828 HydrophobicContact CD1-CG 4.29Å; L254-L829 HydrophobicContact CD1-CD1 4.28Å; L254-L829 HydrophobicContact CD1-CG 4.19Å; L254-P997 HydrophobicContact CD2-CG 4.39Å; L254-P997 WeakPolarHBondContact CD2-O 3.26Å
255	L	78.4	Confident	77.2	Confident	2 Å²	2	50 Å²	50	1%	0.01	23%	0.232	C	C	.	.	S	Bend	trans	-127.1	148.4	-178.4	-64.5	175.4	0	0	0	111.7	L251 A260 M263 V392 L828	L251-L255 PolarHBondContact O-N 2.94Å; L255-A260 HydrophobicContact CB-CB 3.96Å; L255-M263 HydrophobicContact CD1-SD 3.97Å; L255-V392 HydrophobicContact CD2-CG2 3.95Å; L255-L828 HydrophobicContact CD1-CD2 4.11Å; L255-L828 HydrophobicContact CG-CD2 4.33Å
256	P	79.4	Confident	77.3	Confident	22 Å²	22	48.1 Å²	48.1	14%	0.143	22%	0.224	C	C	.	.			trans	-57.6	139.8	169.4	-21.8	33.2	0	0	0	111.9	N258 V259 A260 Y400	P256-N258 VanDerWaalsContact C-N 3.33Å; P256-N258 PolarHBondContact O-N 3.5Å; P256-V259 PolarHBondContact O-N 3.31Å; P256-A260 WeakPolarHBondContact O-CB 3.37Å; P256-A260 PolarHBondContact O-N 3.39Å; P256-Y400 HydrophobicContact CG-CD1 4.06Å; P256-Y400 HydrophobicContact CG-CD2 3.78Å; P256-Y400 HydrophobicContact CG-CE1 4.03Å; P256-Y400 HydrophobicContact CG-CE2 3.78Å; P256-Y400 HydrophobicContact CG-CG 3.9Å
257	R	76.9	Confident	77.5	Confident	183 Å²	183	49.7 Å²	49.7	69%	0.691	23%	0.231	S	C	*	.	H	α-helix	trans	-53.7	-43.8	-171.6	-173.6	176.8	-170.6	-166.8	2.2	114	M252 A260 M261	M252-R257 HydrophobicContact CE-CG 4.35Å; M252-R257 HydrophobicContact SD-CB 4.14Å; M252-R257 HydrophobicContact SD-CG 3.85Å; R257-A260 PolarHBondContact O-N 3.01Å; R257-M261 HydrophobicContact CG-CG 4.33Å; R257-M261 WeakPolarHBondContact O-CB 3.41Å; R257-M261 VanDerWaalsContact O-CG 3.27Å; R257-M261 WeakPolarHBondContact O-CG 3.31Å; R257-M261 PolarHBondContact O-N 3.2Å
258	N	78.3	Confident	77.5	Confident	123 Å²	123	52.4 Å²	52.4	66%	0.658	25%	0.245	S	C	*	.	H	α-helix	trans	-63.5	-47	-176.7	-61.9	-8.8	0	0	0	110.7	P256 E262	P256-N258 VanDerWaalsContact C-N 3.33Å; P256-N258 PolarHBondContact O-N 3.5Å; N258-E262 PolarHBondContact O-N 3Å
259	V	81.1	Confident	77.4	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-44.8	176.8	-178.7	0	0	0	0	110.6	P256 M261 E262 M263 V392	P256-V259 PolarHBondContact O-N 3.31Å; V259-M261 VanDerWaalsContact C-N 3.34Å; V259-M261 PolarHBondContact O-N 3.5Å; V259-E262 PolarHBondContact O-N 3.42Å; V259-M263 HydrophobicContact CG1-CG 4.06Å; V259-M263 HydrophobicContact CG1-SD 3.65Å; V259-M263 WeakPolarHBondContact O-CB 3.35Å; V259-M263 WeakPolarHBondContact O-CG 3.34Å; V259-M263 PolarHBondContact O-N 3.11Å; V259-V392 HydrophobicContact CG1-CG2 4.08Å
260	A	80.3	Confident	77.1	Confident	3 Å²	3	57 Å²	57	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-39.3	-179.1	0	0	0	0	0	113.2	M252 L255 P256 R257 K264	M252-A260 HydrophobicContact SD-CB 4.18Å; L255-A260 HydrophobicContact CB-CB 3.96Å; P256-A260 WeakPolarHBondContact O-CB 3.37Å; P256-A260 PolarHBondContact O-N 3.39Å; R257-A260 PolarHBondContact O-N 3.01Å; A260-K264 WeakPolarHBondContact O-CB 3.34Å; A260-K264 PolarHBondContact O-N 3.35Å
261	M	80.1	Confident	76.5	Confident	87 Å²	87	59.6 Å²	59.6	43%	0.429	29%	0.294	S	S	.	.	H	α-helix	trans	-69.2	-43.1	178	-71.3	-63.4	-65.4	0	0	111.7	M252 R257 V259 K264 E265	M252-M261 HydrophobicContact CE-CG 4.19Å; M252-M261 HydrophobicContact CE-SD 3.67Å; R257-M261 HydrophobicContact CG-CG 4.33Å; R257-M261 WeakPolarHBondContact O-CB 3.41Å; R257-M261 VanDerWaalsContact O-CG 3.27Å; R257-M261 WeakPolarHBondContact O-CG 3.31Å; R257-M261 PolarHBondContact O-N 3.2Å; V259-M261 VanDerWaalsContact C-N 3.34Å; V259-M261 PolarHBondContact O-N 3.5Å; M261-K264 PolarHBondContact O-N 3.2Å; M261-E265 PolarHBondContact O-N 3.29Å
262	E	82.8	Confident	75.7	Confident	75 Å²	75	69.2 Å²	69.2	35%	0.35	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-48	178	-163.1	-176.4	173.8	0	0	111.4	N258 V259 K264 E265 D266 K277 Y279	N258-E262 PolarHBondContact O-N 3Å; V259-E262 PolarHBondContact O-N 3.42Å; E262-K264 VanDerWaalsContact C-N 3.31Å; E262-K264 PolarHBondContact O-N 3.04Å; E262-E265 PolarHBondContact O-N 3.14Å; E262-D266 PolarHBondContact O-N 2.77Å; E262-K277 WeakPolarHBondContact OE1-CE 3.17Å; E262-K277 IonicContact OE1-NZ 3.44Å; E262-K277 PolarHBondContact OE1-NZ 3.21Å; E262-Y279 HydrophobicContact CB-CD1 4.48Å; E262-Y279 HydrophobicContact CB-CE1 4.32Å; E262-Y279 HydrophobicContact CG-CD1 4.23Å; E262-Y279 HydrophobicContact CG-CE1 3.92Å
263	M	78.6	Confident	75.4	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-62.5	-37.2	176.4	-67.3	-177	86.2	0	0	112.4	L255 V259 F267 Y279 V392 W398	L255-M263 HydrophobicContact CD1-SD 3.97Å; V259-M263 HydrophobicContact CG1-CG 4.06Å; V259-M263 HydrophobicContact CG1-SD 3.65Å; V259-M263 WeakPolarHBondContact O-CB 3.35Å; V259-M263 WeakPolarHBondContact O-CG 3.34Å; V259-M263 PolarHBondContact O-N 3.11Å; M263-F267 WeakPolarHBondContact O-CB 3.35Å; M263-F267 PolarHBondContact O-N 3.13Å; M263-Y279 HydrophobicContact CE-CD2 3.93Å; M263-Y279 HydrophobicContact CE-CE2 3.99Å; M263-Y279 HydrophobicContact CG-CD1 3.83Å; M263-Y279 HydrophobicContact CG-CD2 3.78Å; M263-Y279 HydrophobicContact CG-CE1 3.75Å; M263-Y279 HydrophobicContact CG-CE2 3.72Å; M263-Y279 HydrophobicContact CG-CG 3.83Å; M263-Y279 HydrophobicContact SD-CD2 4.25Å; M263-Y279 HydrophobicContact SD-CG 4.46Å; M263-V392 HydrophobicContact CE-CB 4.08Å; M263-V392 HydrophobicContact CE-CG1 3.77Å; M263-V392 HydrophobicContact CE-CG2 4.44Å; M263-V392 HydrophobicContact SD-CB 4.2Å; M263-V392 HydrophobicContact SD-CG1 4.39Å; M263-V392 HydrophobicContact SD-CG2 3.99Å; M263-W398 HydrophobicContact CB-CH2 4.49Å; M263-W398 HydrophobicContact CB-CZ3 4.23Å; M263-W398 HydrophobicContact CE-CB 4.24Å; M263-W398 HydrophobicContact CE-CD2 3.18Å; M263-W398 HydrophobicContact CE-CE3 3.45Å; M263-W398 VanDerWaalsContact CE-CE3 3.45Å; M263-W398 HydrophobicContact CE-CG 3.56Å; M263-W398 HydrophobicContact CE-CH2 4.04Å; M263-W398 HydrophobicContact CE-CZ2 3.82Å; M263-W398 HydrophobicContact CE-CZ3 3.87Å; M263-W398 HydrophobicContact SD-CD2 4.48Å; M263-W398 HydrophobicContact SD-CE3 4.3Å
264	K	78.9	Confident	75.1	Confident	35 Å²	35	81.3 Å²	81.3	15%	0.152	39%	0.39	C	S	.	.	H	α-helix	trans	-64.6	-40.9	176.3	170.8	170.4	172.2	173.9	0	111.6	A260 M261 E262 L268 N821 I824	A260-K264 WeakPolarHBondContact O-CB 3.34Å; A260-K264 PolarHBondContact O-N 3.35Å; M261-K264 PolarHBondContact O-N 3.2Å; E262-K264 VanDerWaalsContact C-N 3.31Å; E262-K264 PolarHBondContact O-N 3.04Å; K264-L268 HydrophobicContact CG-CD1 4.18Å; K264-L268 VanDerWaalsContact O-CG 3.24Å; K264-L268 WeakPolarHBondContact O-CG 3.31Å; K264-L268 PolarHBondContact O-N 3.02Å; K264-N821 VanDerWaalsContact CE-OD1 3.29Å; K264-N821 WeakPolarHBondContact CE-OD1 3.49Å; K264-N821 PolarHBondContact NZ-OD1 2.88Å; K264-I824 HydrophobicContact CB-CD1 3.94Å; K264-I824 HydrophobicContact CD-CD1 4.18Å; K264-I824 HydrophobicContact CG-CD1 3.64Å
265	E	81.1	Confident	74.9	Confident	127 Å²	127	86.2 Å²	86.2	59%	0.593	41%	0.41	S	S	*	.	H	α-helix	trans	-66.4	-47.6	178	-173.7	166.3	-166.5	0	0	111.3	M261 E262 F267 L268 K269	M261-E265 PolarHBondContact O-N 3.29Å; E262-E265 PolarHBondContact O-N 3.14Å; E265-F267 PolarHBondContact O-N 3.24Å; E265-L268 PolarHBondContact O-N 2.93Å; E265-K269 PolarHBondContact O-N 3.32Å
266	D	79.3	Confident	74.9	Confident	28 Å²	28	88.9 Å²	88.9	15%	0.15	42%	0.422	C	S	.	.	H	α-helix	trans	-67.5	-35.8	-179.8	-67.7	-32	0	0	0	112.5	E262 L268 K269 P270 K277 Y279	E262-D266 PolarHBondContact O-N 2.77Å; D266-L268 VanDerWaalsContact C-N 3.31Å; D266-L268 PolarHBondContact O-N 3.37Å; D266-K269 CarbonylContact O-C 3.59Å; D266-K269 PolarHBondContact O-N 2.73Å; D266-P270 WeakPolarHBondContact O-CA 3.33Å; D266-K277 IonicContact OD1-NZ 2.67Å; D266-K277 VanDerWaalsContact OD2-CD 3.3Å; D266-K277 WeakPolarHBondContact OD2-CD 3.49Å; D266-K277 WeakPolarHBondContact OD2-CE 3.38Å; D266-K277 IonicContact OD2-NZ 3.19Å; D266-K277 PolarHBondContact OD2-NZ 2.87Å; D266-Y279 WeakPolarHBondContact CB-OH 3.48Å; D266-Y279 VanDerWaalsContact CG-OH 3.28Å; D266-Y279 VanDerWaalsContact OD2-CE1 3.25Å; D266-Y279 WeakPolarHBondContact OD2-CE1 3.33Å; D266-Y279 PolarHBondContact OD2-OH 3.19Å
267	F	77.6	Confident	75	Confident	83 Å²	83	90.5 Å²	90.5	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-34.9	176.7	-174.6	-95.5	0	0	0	112.6	M263 E265 W398 R823 I824	M263-F267 WeakPolarHBondContact O-CB 3.35Å; M263-F267 PolarHBondContact O-N 3.13Å; E265-F267 PolarHBondContact O-N 3.24Å; F267-W398 HydrophobicContact CB-CH2 4.08Å; F267-W398 AromaticContact CD2-CH2 3.6Å; F267-W398 HydrophobicContact CD2-CH2 3.6Å; F267-W398 HydrophobicContact CD2-CZ2 4.12Å; F267-W398 HydrophobicContact CE2-CH2 4.37Å; F267-W398 HydrophobicContact CG-CH2 4.1Å; F267-R823 HydrophobicContact CE1-CB 4.03Å; F267-R823 HydrophobicContact CZ-CB 4.46Å; F267-I824 HydrophobicContact CD1-CD1 4.38Å; F267-I824 HydrophobicContact CD1-CG1 3.7Å; F267-I824 HydrophobicContact CE1-CG1 4.06Å; F267-I824 HydrophobicContact CG-CG1 4.3Å
268	L	73.8	Confident	75.3	Confident	66 Å²	66	83 Å²	83	35%	0.346	40%	0.4	S	S	.	.	H	α-helix	trans	-83.7	-24.5	179.7	-64.2	176.7	0	0	0	112.7	K264 E265 D266 D820	K264-L268 HydrophobicContact CG-CD1 4.18Å; K264-L268 VanDerWaalsContact O-CG 3.24Å; K264-L268 WeakPolarHBondContact O-CG 3.31Å; K264-L268 PolarHBondContact O-N 3.02Å; E265-L268 PolarHBondContact O-N 2.93Å; D266-L268 VanDerWaalsContact C-N 3.31Å; D266-L268 PolarHBondContact O-N 3.37Å; L268-D820 HydrophobicContact CD1-CB 4.15Å; L268-D820 HydrophobicContact CD2-CB 3.53Å; L268-D820 VanDerWaalsContact CD2-CG 3.42Å; L268-D820 HydrophobicContact CG-CB 4.5Å
269	K	75.9	Confident	75.7	Confident	155 Å²	155	78.5 Å²	78.5	67%	0.674	37%	0.374	S	S	*	.	S	Bend	trans	-132.8	77.9	175.8	-65.6	-179.3	-175.4	173.1	0	108.6	E265 D266 P271	E265-K269 PolarHBondContact O-N 3.32Å; D266-K269 CarbonylContact O-C 3.59Å; D266-K269 PolarHBondContact O-N 2.73Å; K269-P271 WeakPolarHBondContact O-CD 3.47Å; K269-P271 VanDerWaalsContact O-N 3.12Å
270	P	68	Low	76	Confident	101 Å²	101	79.9 Å²	79.9	66%	0.656	38%	0.381	S	S	*	.			trans	-58.6	120.7	-179.1	22.2	-31.7	0	0	0	108.9	D266	D266-P270 WeakPolarHBondContact O-CA 3.33Å
271	P	60.8	Low	76.4	Confident	55 Å²	55	83.4 Å²	83.4	36%	0.357	40%	0.397	S	S	.	.			trans	-68.5	137.2	177.6	28.2	-33.3	0	0	0	109.4	K269 R273	K269-P271 WeakPolarHBondContact O-CD 3.47Å; K269-P271 VanDerWaalsContact O-N 3.12Å; P271-R273 VanDerWaalsContact C-N 3.31Å; P271-R273 HydrophobicContact CB-CG 4.11Å; P271-R273 HydrophobicContact CG-CG 4.41Å; P271-R273 PolarHBondContact O-N 2.96Å
272	E	59.3	Low	76.7	Confident	206 Å²	206	85 Å²	85	96%	0.963	40%	0.398	S	S	*	.			trans	-69.5	88.5	171.8	-68.7	-179.1	178.8	0	0	109
273	R	68.1	Low	77	Confident	159 Å²	159	83 Å²	83	60%	0.6	39%	0.389	S	S	*	.			trans	-128.3	151	177.8	-66.4	-179.7	-175.4	-171.8	1.8	109.7	P271 F275	P271-R273 VanDerWaalsContact C-N 3.31Å; P271-R273 HydrophobicContact CB-CG 4.11Å; P271-R273 HydrophobicContact CG-CG 4.41Å; P271-R273 PolarHBondContact O-N 2.96Å; R273-F275 VanDerWaalsContact C-N 3.33Å; R273-F275 WeakPolarHBondContact CB-O 3.47Å
274	I	64.3	Low	77.5	Confident	161 Å²	161	86.7 Å²	86.7	83%	0.826	41%	0.409	S	S	*	.	S	Bend	trans	-73.2	-29.5	177.9	-57.6	168	0	0	0	110.9
275	F	69.3	Low	78	Confident	133 Å²	133	90.5 Å²	90.5	58%	0.583	43%	0.431	S	S	*	.	S	Bend	trans	-115.4	148.3	178.2	-62.7	-74.5	0	0	0	111.2	R273 E902	R273-F275 VanDerWaalsContact C-N 3.33Å; R273-F275 WeakPolarHBondContact CB-O 3.47Å; F275-E902 HydrophobicContact CD1-CG 4.29Å
276	H	80	Confident	78.7	Confident	58 Å²	58	84.5 Å²	84.5	27%	0.269	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-67.9	135.5	173.4	-66.8	101.1	0	0	0	110.3	I278 E902 E909	H276-I278 PolarHBondContact O-N 2.91Å; H276-E902 WeakPolarHBondContact CB-OE1 3.33Å; H276-E902 IonicContact CE1-OE2 2.73Å; H276-E902 IonicContact CG-OE2 3Å; H276-E902 PolarHBondContact N-OE1 2.91Å; H276-E902 IonicContact ND1-OE1 3.86Å; H276-E902 IonicContact ND1-OE2 2.62Å; H276-E902 PolarHBondContact ND1-OE2 3.28Å; H276-E909 IonicContact CE1-OE1 3.65Å; H276-E909 IonicContact NE2-OE1 2.81Å
277	K	81.4	Confident	79.5	Confident	57 Å²	57	83.1 Å²	83.1	25%	0.248	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-71.7	126.8	179.6	-175.8	-179.6	170.1	-168.7	0	109.8	E262 D266 Y279	E262-K277 WeakPolarHBondContact OE1-CE 3.17Å; E262-K277 IonicContact OE1-NZ 3.44Å; E262-K277 PolarHBondContact OE1-NZ 3.21Å; D266-K277 IonicContact OD1-NZ 2.67Å; D266-K277 VanDerWaalsContact OD2-CD 3.3Å; D266-K277 WeakPolarHBondContact OD2-CD 3.49Å; D266-K277 WeakPolarHBondContact OD2-CE 3.38Å; D266-K277 IonicContact OD2-NZ 3.19Å; D266-K277 PolarHBondContact OD2-NZ 2.87Å; K277-Y279 HydrophobicContact CD-CE1 4.11Å; K277-Y279 HydrophobicContact CG-CE1 4.49Å
278	I	83.1	Confident	80.4	Confident	26 Å²	26	79.2 Å²	79.2	13%	0.133	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-90	141.9	172	55.4	163.5	0	0	0	111.4	H276 I280 V894 R898 N901	H276-I278 PolarHBondContact O-N 2.91Å; I278-I280 HydrophobicContact CB-CD1 4.33Å; I278-I280 HydrophobicContact CB-CG1 4.31Å; I278-I280 HydrophobicContact CD1-CD1 3.95Å; I278-I280 HydrophobicContact CD1-CG1 4.38Å; I278-V894 HydrophobicContact CD1-CG1 3.66Å; I278-R898 HydrophobicContact CD1-CB 4.02Å; I278-R898 HydrophobicContact CD1-CG 4.27Å; I278-R898 HydrophobicContact CG1-CG 4.46Å; I278-R898 HydrophobicContact CG2-CB 4.41Å; I278-R898 HydrophobicContact CG2-CG 4.05Å; I278-N901 HydrophobicContact CG2-CB 3.58Å
279	Y	86.6	Confident	81.5	Confident	28 Å²	28	76 Å²	76	11%	0.11	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	77.9	178.1	-56.7	-85.1	0	0	0	109.5	E262 M263 D266 K277 G391 V392	E262-Y279 HydrophobicContact CB-CD1 4.48Å; E262-Y279 HydrophobicContact CB-CE1 4.32Å; E262-Y279 HydrophobicContact CG-CD1 4.23Å; E262-Y279 HydrophobicContact CG-CE1 3.92Å; M263-Y279 HydrophobicContact CE-CD2 3.93Å; M263-Y279 HydrophobicContact CE-CE2 3.99Å; M263-Y279 HydrophobicContact CG-CD1 3.83Å; M263-Y279 HydrophobicContact CG-CD2 3.78Å; M263-Y279 HydrophobicContact CG-CE1 3.75Å; M263-Y279 HydrophobicContact CG-CE2 3.72Å; M263-Y279 HydrophobicContact CG-CG 3.83Å; M263-Y279 HydrophobicContact SD-CD2 4.25Å; M263-Y279 HydrophobicContact SD-CG 4.46Å; D266-Y279 WeakPolarHBondContact CB-OH 3.48Å; D266-Y279 VanDerWaalsContact CG-OH 3.28Å; D266-Y279 VanDerWaalsContact OD2-CE1 3.25Å; D266-Y279 WeakPolarHBondContact OD2-CE1 3.33Å; D266-Y279 PolarHBondContact OD2-OH 3.19Å; K277-Y279 HydrophobicContact CD-CE1 4.11Å; K277-Y279 HydrophobicContact CG-CE1 4.49Å; Y279-G391 CarbonylContact O-C 3.52Å; Y279-G391 WeakPolarHBondContact O-CA 3.46Å; Y279-V392 PolarHBondContact O-N 2.93Å; Y279-V392 VanDerWaalsContact O-N 3.11Å
280	I	87.3	Confident	82.3	Confident	33 Å²	33	69.2 Å²	69.2	17%	0.169	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136	-175.6	-57.7	-179.4	0	0	0	110.5	I278 L389 C390 L393 L897	I278-I280 HydrophobicContact CB-CD1 4.33Å; I278-I280 HydrophobicContact CB-CG1 4.31Å; I278-I280 HydrophobicContact CD1-CD1 3.95Å; I278-I280 HydrophobicContact CD1-CG1 4.38Å; I280-L389 HydrophobicContact CG2-CB 3.9Å; I280-L389 HydrophobicContact CG2-CD2 4.33Å; I280-C390 CarbonylContact C-O 3.05Å; I280-C390 WeakPolarHBondContact CA-O 3.33Å; I280-L393 HydrophobicContact CD1-CD2 4.15Å; I280-L897 HydrophobicContact CD1-CB 3.68Å; I280-L897 HydrophobicContact CD1-CD1 3.78Å; I280-L897 HydrophobicContact CD1-CG 4.4Å
281	Q	87.4	Confident	83.5	Confident	77 Å²	77	64.4 Å²	64.4	36%	0.36	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.6	176.4	-64.2	180	-2.1	0	0	109.7	C390	Q281-C390 PolarHBondContact N-O 2.98Å; Q281-C390 PolarHBondContact O-N 3.29Å; Q281-C390 PolarHBondContact O-SG 3.48Å
282	R	87.6	Confident	84.9	Confident	119 Å²	119	62.6 Å²	62.6	45%	0.449	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.1	177.3	179.1	-179.1	168.5	179	3.9	110.5	D284 L389 M892	R282-D284 IonicContact CZ-OD1 2.78Å; R282-D284 VanDerWaalsContact CZ-OD1 3.29Å; R282-D284 IonicContact CZ-OD2 3.69Å; R282-D284 IonicContact NE-OD1 3.15Å; R282-D284 PolarHBondContact NE-OD1 2.65Å; R282-D284 IonicContact NE-OD2 3.43Å; R282-D284 PolarHBondContact NE-OD2 3.44Å; R282-D284 IonicContact NH2-OD1 2.89Å; R282-D284 PolarHBondContact NH2-OD1 3Å; R282-D284 IonicContact NH2-OD2 3.49Å; R282-D284 PolarHBondContact NH2-OD2 3.35Å; R282-L389 HydrophobicContact CB-CD2 3.78Å; R282-L389 HydrophobicContact CG-CD2 4.05Å; R282-M892 VanDerWaalsContact NH1-CG 3.31Å
283	H	89.4	Confident	86.1	Confident	35 Å²	35	52.9 Å²	52.9	16%	0.162	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.5	172.4	-65.6	-96	0	0	0	110	V286 L344 R387 V388 C390	H283-V286 HydrophobicContact CB-CG1 3.95Å; H283-L344 HydrophobicContact CB-CD1 4.1Å; H283-L344 PolarHBondContact CE1-O 2.92Å; H283-L344 PolarHBondContact ND1-O 2.96Å; H283-L344 VanDerWaalsContact ND1-O 3.13Å; H283-R387 WeakPolarHBondContact O-CA 3.45Å; H283-V388 HydrophobicContact CB-CG2 4.1Å; H283-V388 PolarHBondContact N-O 2.65Å; H283-V388 PolarHBondContact O-N 3.43Å; H283-C390 PolarHBondContact CD2-SG 3.38Å; H283-C390 PolarHBondContact NE2-SG 3.02Å
284	D	88.8	Confident	86.9	Confident	78 Å²	78	47.1 Å²	47.1	42%	0.417	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	157.5	172.6	-55.7	-54	0	0	0	109.7	R282	R282-D284 IonicContact CZ-OD1 2.78Å; R282-D284 VanDerWaalsContact CZ-OD1 3.29Å; R282-D284 IonicContact CZ-OD2 3.69Å; R282-D284 IonicContact NE-OD1 3.15Å; R282-D284 PolarHBondContact NE-OD1 2.65Å; R282-D284 IonicContact NE-OD2 3.43Å; R282-D284 PolarHBondContact NE-OD2 3.44Å; R282-D284 IonicContact NH2-OD1 2.89Å; R282-D284 PolarHBondContact NH2-OD1 3Å; R282-D284 IonicContact NH2-OD2 3.49Å; R282-D284 PolarHBondContact NH2-OD2 3.35Å
285	N	89.9	Confident	87.4	Confident	116 Å²	116	40.4 Å²	40.4	62%	0.62	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.3	59	178.4	-53.8	-41.7	0	0	0	113.3	H351 G386	N285-H351 PolarHBondContact O-CD2 3.01Å; N285-G386 PolarHBondContact N-O 3.38Å
286	V	95.4	Very high	87.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	153.8	173.2	-61.6	0	0	0	0	110.3	H283 I288 V341 S342 T385 G386 V388	H283-V286 HydrophobicContact CB-CG1 3.95Å; V286-I288 HydrophobicContact CG2-CG1 4.25Å; V286-V341 HydrophobicContact CB-CG1 3.92Å; V286-V341 HydrophobicContact CG1-CG1 4.48Å; V286-V341 HydrophobicContact CG2-CG1 4.2Å; V286-S342 WeakPolarHBondContact CA-O 3.44Å; V286-S342 WeakPolarHBondContact CB-O 3.47Å; V286-T385 WeakPolarHBondContact O-CA 3.39Å; V286-G386 WeakPolarHBondContact CG2-O 3.41Å; V286-G386 PolarHBondContact N-O 3.38Å; V286-G386 PolarHBondContact O-N 3.35Å; V286-V388 HydrophobicContact CG1-CG2 4.35Å; V286-V388 HydrophobicContact CG2-CB 4.2Å; V286-V388 HydrophobicContact CG2-CG1 3.64Å; V286-V388 HydrophobicContact CG2-CG2 3.65Å
287	S	96.3	Very high	87.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.5	170.5	-67.3	0	0	0	0	110.5	V341 S342 H351 A352 C355 T385	S287-V341 CarbonylContact O-C 3.53Å; S287-V341 WeakPolarHBondContact O-CA 3.33Å; S287-S342 PolarHBondContact N-O 3.38Å; S287-S342 VanDerWaalsContact N-O 3.17Å; S287-S342 PolarHBondContact O-N 3Å; S287-H351 PolarHBondContact N-ND1 3.23Å; S287-H351 PolarHBondContact OG-CE1 2.98Å; S287-H351 PolarHBondContact OG-ND1 3.19Å; S287-A352 WeakPolarHBondContact OG-CA 3.37Å; S287-A352 PolarHBondContact OG-N 3.29Å; S287-C355 PolarHBondContact O-SG 3.24Å; S287-C355 VanDerWaalsContact O-SG 3.38Å; S287-T385 PolarHBondContact OG-OG1 3.15Å
288	I	95.8	Very high	86.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.7	-167.7	-60.4	170.6	0	0	0	107.3	V286 F290 Y339 V341 L383 H384 V388 D406 V407 A410	V286-I288 HydrophobicContact CG2-CG1 4.25Å; I288-F290 HydrophobicContact CG2-CD2 4.28Å; I288-F290 HydrophobicContact CG2-CE2 4.05Å; I288-Y339 HydrophobicContact CG2-CD2 4.49Å; I288-Y339 HydrophobicContact CG2-CE2 3.27Å; I288-Y339 WeakPolarHBondContact CG2-OH 3.31Å; I288-V341 HydrophobicContact CG1-CG2 4.48Å; I288-L383 VanDerWaalsContact O-CA 3.26Å; I288-L383 WeakPolarHBondContact O-CA 3.34Å; I288-H384 WeakPolarHBondContact CB-O 3.36Å; I288-H384 PolarHBondContact N-O 3.46Å; I288-H384 PolarHBondContact O-N 3.04Å; I288-V388 HydrophobicContact CD1-CG1 3.54Å; I288-V388 HydrophobicContact CG1-CG1 4.14Å; I288-D406 HydrophobicContact CD1-CB 4.11Å; I288-V407 HydrophobicContact CD1-CG2 3.9Å; I288-A410 HydrophobicContact CB-CB 3.88Å; I288-A410 HydrophobicContact CG2-CB 3.41Å; I288-A410 VanDerWaalsContact CG2-CB 3.41Å
289	L	96	Very high	85.8	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.2	-178.2	-178.8	154.4	0	0	0	110.9	A291 Y339 C340 C355 M358 M362 V381 G382	L289-A291 HydrophobicContact CD2-CB 3.81Å; L289-Y339 WeakPolarHBondContact O-CA 3.31Å; L289-Y339 WeakPolarHBondContact O-CD2 3.47Å; L289-C340 PolarHBondContact N-O 2.91Å; L289-C340 PolarHBondContact O-N 3.23Å; L289-C355 HydrophobicContact CD1-CB 4.47Å; L289-C355 WeakPolarHBondContact CD1-O 3.4Å; L289-M358 HydrophobicContact CD1-CB 4.32Å; L289-M358 HydrophobicContact CD1-CG 4.23Å; L289-M362 HydrophobicContact CD2-SD 4.09Å; L289-V381 HydrophobicContact CD1-CG1 3.87Å; L289-V381 HydrophobicContact CD2-CG1 4.21Å; L289-V381 HydrophobicContact CG-CG1 3.86Å; L289-G382 WeakPolarHBondContact CA-O 3.39Å
290	F	94.4	Very high	85	Confident	11 Å²	11	32.8 Å²	32.8	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.8	166.6	-78.8	-91.7	0	0	0	109.4	I288 Y339 V381 G382 V407 A410 N411 E414	I288-F290 HydrophobicContact CG2-CD2 4.28Å; I288-F290 HydrophobicContact CG2-CE2 4.05Å; F290-Y339 HydrophobicContact CB-CD2 4.46Å; F290-Y339 AromaticContact CD1-CD2 3.55Å; F290-Y339 HydrophobicContact CD1-CD2 3.55Å; F290-Y339 HydrophobicContact CD1-CE2 4.33Å; F290-Y339 AromaticContact CD1-CG 3.97Å; F290-Y339 HydrophobicContact CD1-CG 3.97Å; F290-Y339 AromaticContact CD2-CD2 3.45Å; F290-Y339 HydrophobicContact CD2-CD2 3.45Å; F290-Y339 VanDerWaalsContact CD2-CD2 3.45Å; F290-Y339 AromaticContact CD2-CE2 3.48Å; F290-Y339 HydrophobicContact CD2-CE2 3.48Å; F290-Y339 VanDerWaalsContact CD2-CE2 3.48Å; F290-Y339 HydrophobicContact CE1-CD1 4.33Å; F290-Y339 AromaticContact CE1-CD2 3.45Å; F290-Y339 HydrophobicContact CE1-CD2 3.45Å; F290-Y339 VanDerWaalsContact CE1-CD2 3.45Å; F290-Y339 HydrophobicContact CE1-CE2 4.02Å; F290-Y339 AromaticContact CE1-CG 3.64Å; F290-Y339 HydrophobicContact CE1-CG 3.64Å; F290-Y339 AromaticContact CE2-CD2 3.36Å; F290-Y339 HydrophobicContact CE2-CD2 3.36Å; F290-Y339 AromaticContact CE2-CE2 3.1Å; F290-Y339 HydrophobicContact CE2-CE2 3.1Å; F290-Y339 HydrophobicContact CE2-CG 4.26Å; F290-Y339 AromaticContact CE2-CZ 3.85Å; F290-Y339 AromaticContact CG-CD2 3.54Å; F290-Y339 HydrophobicContact CG-CD2 3.54Å; F290-Y339 HydrophobicContact CG-CE2 4.08Å; F290-Y339 HydrophobicContact CG-CG 4.4Å; F290-Y339 HydrophobicContact CZ-CD1 4.22Å; F290-Y339 AromaticContact CZ-CD2 3.35Å; F290-Y339 HydrophobicContact CZ-CD2 3.35Å; F290-Y339 HydrophobicContact CZ-CE1 4.28Å; F290-Y339 AromaticContact CZ-CE2 3.4Å; F290-Y339 HydrophobicContact CZ-CE2 3.4Å; F290-Y339 AromaticContact CZ-CG 3.79Å; F290-Y339 HydrophobicContact CZ-CG 3.79Å; F290-Y339 AromaticContact CZ-CZ 3.89Å; F290-V381 WeakPolarHBondContact O-CA 3.2Å; F290-G382 PolarHBondContact N-O 3.4Å; F290-G382 PolarHBondContact O-N 2.94Å; F290-V407 HydrophobicContact CE2-CG1 4.04Å; F290-V407 WeakPolarHBondContact CE2-O 3.36Å; F290-V407 HydrophobicContact CZ-CG1 4Å; F290-A410 HydrophobicContact CD2-CB 3.72Å; F290-A410 HydrophobicContact CE2-CB 3.94Å; F290-N411 HydrophobicContact CD1-CB 4.44Å; F290-N411 HydrophobicContact CD2-CB 4.09Å; F290-N411 HydrophobicContact CE1-CB 4.28Å; F290-N411 HydrophobicContact CE2-CB 3.88Å; F290-N411 HydrophobicContact CG-CB 4.36Å; F290-N411 HydrophobicContact CZ-CB 4Å; F290-E414 HydrophobicContact CB-CB 3.7Å; F290-E414 HydrophobicContact CB-CG 4.01Å
291	A	92.4	Very high	84	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.9	178.1	0	0	0	0	0	110.9	L289 C337 Y338 M362 M379 R380 V381	L289-A291 HydrophobicContact CD2-CB 3.81Å; A291-C337 CarbonylContact O-C 3.57Å; A291-C337 WeakPolarHBondContact O-CA 3.35Å; A291-Y338 PolarHBondContact N-O 3.45Å; A291-Y338 PolarHBondContact O-N 3.35Å; A291-M362 HydrophobicContact CB-CE 3.57Å; A291-M362 HydrophobicContact CB-SD 3.89Å; A291-M379 HydrophobicContact CB-CG 4.29Å; A291-M379 HydrophobicContact CB-SD 3.91Å; A291-R380 CarbonylContact C-O 3.48Å; A291-R380 VanDerWaalsContact CA-O 3.24Å; A291-R380 WeakPolarHBondContact CA-O 3.48Å; A291-V381 HydrophobicContact CB-CG2 4.14Å
292	D	89.3	Confident	83.1	Confident	17 Å²	17	37 Å²	37	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.8	-178	-174.4	50.2	0	0	0	112.6	M379 R380 E414	D292-M379 CarbonylContact O-C 3.46Å; D292-M379 VanDerWaalsContact O-CA 3.24Å; D292-M379 WeakPolarHBondContact O-CA 3.48Å; D292-M379 WeakPolarHBondContact O-CG 3.39Å; D292-R380 PolarHBondContact N-O 3.21Å; D292-R380 PolarHBondContact O-N 3.13Å; D292-E414 HydrophobicContact CB-CG 4.26Å; D292-E414 VanDerWaalsContact CB-OE1 3.29Å; D292-E414 WeakPolarHBondContact CB-OE1 3.27Å
293	I	85.8	Confident	82.1	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	108.6	-177.7	-55	166.5	0	0	0	110	G295 F296 L315 F316 D336 I366 L377 N378 M379	I293-G295 PolarHBondContact O-N 3.22Å; I293-F296 HydrophobicContact CB-CB 3.93Å; I293-F296 HydrophobicContact CD1-CD2 4.31Å; I293-F296 HydrophobicContact CG2-CB 3.85Å; I293-F296 WeakPolarHBondContact O-CB 3.17Å; I293-F296 PolarHBondContact O-N 2.95Å; I293-L315 HydrophobicContact CD1-CD2 3.52Å; I293-F316 HydrophobicContact CD1-CE1 4.11Å; I293-F316 HydrophobicContact CD1-CZ 4.3Å; I293-D336 HydrophobicContact CB-CB 4.37Å; I293-I366 HydrophobicContact CG2-CD1 4.5Å; I293-L377 HydrophobicContact CG2-CD2 4.31Å; I293-N378 CarbonylContact C-O 3.49Å; I293-M379 HydrophobicContact CG1-CE 3.71Å
294	V	84.4	Confident	81.2	Confident	38 Å²	38	34.1 Å²	34.1	23%	0.23	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	122.9	175.6	-173.6	0	0	0	0	110.2	N378 R380 P419	V294-N378 HydrophobicContact CB-CB 4.17Å; V294-N378 PolarHBondContact N-O 3.01Å; V294-N378 PolarHBondContact O-N 3.19Å; V294-R380 HydrophobicContact CG2-CG 3.71Å; V294-P419 HydrophobicContact CG2-CB 4.24Å; V294-P419 HydrophobicContact CG2-CG 4.16Å
295	G	74.8	Confident	80.2	Confident	21 Å²	21	31.2 Å²	31.2	22%	0.216	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	2	177.9	0	0	0	0	0	114.9	I293 S298 L299	I293-G295 PolarHBondContact O-N 3.22Å; G295-S298 PolarHBondContact O-N 2.92Å; G295-L299 PolarHBondContact O-N 3.09Å
296	F	73.6	Confident	79.2	Confident	13 Å²	13	30.5 Å²	30.5	6%	0.057	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-176.2	179.2	-94.1	0	0	0	114.1	I293 S298 L299 A300 L308 L312 D336	I293-F296 HydrophobicContact CB-CB 3.93Å; I293-F296 HydrophobicContact CD1-CD2 4.31Å; I293-F296 HydrophobicContact CG2-CB 3.85Å; I293-F296 WeakPolarHBondContact O-CB 3.17Å; I293-F296 PolarHBondContact O-N 2.95Å; F296-S298 VanDerWaalsContact C-N 3.27Å; F296-S298 PolarHBondContact O-N 3.32Å; F296-L299 WeakPolarHBondContact O-CA 3.37Å; F296-L299 VanDerWaalsContact O-CB 3.3Å; F296-L299 WeakPolarHBondContact O-CB 3.38Å; F296-L299 PolarHBondContact O-N 3.22Å; F296-A300 HydrophobicContact CD1-CB 4.42Å; F296-A300 HydrophobicContact CE1-CB 4.01Å; F296-A300 HydrophobicContact CZ-CB 4.31Å; F296-A300 PolarHBondContact O-N 3.32Å; F296-L308 HydrophobicContact CE2-CD1 4.27Å; F296-L308 HydrophobicContact CZ-CD1 3.74Å; F296-L312 HydrophobicContact CD2-CD2 4.48Å; F296-L312 HydrophobicContact CE1-CD2 4.48Å; F296-L312 HydrophobicContact CE2-CD2 3.36Å; F296-L312 HydrophobicContact CE2-CG 4.13Å; F296-L312 HydrophobicContact CZ-CD1 3.97Å; F296-L312 HydrophobicContact CZ-CD2 3.36Å; F296-L312 HydrophobicContact CZ-CG 3.89Å; F296-D336 HydrophobicContact CB-CB 3.89Å; F296-D336 WeakPolarHBondContact CB-OD2 3.49Å; F296-D336 HydrophobicContact CD1-CB 3.47Å; F296-D336 VanDerWaalsContact CD1-CB 3.47Å; F296-D336 WeakPolarHBondContact CD1-OD2 3.16Å; F296-D336 HydrophobicContact CE1-CB 4.12Å; F296-D336 HydrophobicContact CG-CB 3.7Å
297	T	68.6	Low	78.1	Confident	30 Å²	30	33.1 Å²	33.1	18%	0.184	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-36.2	-178.8	-34.2	0	0	0	0	112.3	L299 A300 S301 V1158	T297-L299 VanDerWaalsContact C-N 3.34Å; T297-A300 PolarHBondContact O-N 3.39Å; T297-S301 PolarHBondContact O-N 3.36Å; T297-S301 VanDerWaalsContact O-N 3.12Å; T297-V1158 WeakPolarHBondContact OG1-CB 3Å; T297-V1158 VanDerWaalsContact OG1-CG2 3.31Å; T297-V1158 WeakPolarHBondContact OG1-CG2 3.01Å
298	S	68.6	Low	77	Confident	62 Å²	62	33.5 Å²	33.5	43%	0.434	20%	0.199	S	C	.	.	H	α-helix	trans	-63.5	-42.5	174.7	-172.4	0	0	0	0	111	G295 F296 S301	G295-S298 PolarHBondContact O-N 2.92Å; F296-S298 VanDerWaalsContact C-N 3.27Å; F296-S298 PolarHBondContact O-N 3.32Å; S298-S301 PolarHBondContact O-N 3.34Å; S298-S301 PolarHBondContact O-OG 3.49Å
299	L	69.8	Low	75.9	Confident	12 Å²	12	33.6 Å²	33.6	6%	0.063	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-47.8	175.3	-175.4	69.7	0	0	0	111.8	G295 F296 T297 S301 Q302 C303 L311 V375 L377 F485	G295-L299 PolarHBondContact O-N 3.09Å; F296-L299 WeakPolarHBondContact O-CA 3.37Å; F296-L299 VanDerWaalsContact O-CB 3.3Å; F296-L299 WeakPolarHBondContact O-CB 3.38Å; F296-L299 PolarHBondContact O-N 3.22Å; T297-L299 VanDerWaalsContact C-N 3.34Å; L299-S301 VanDerWaalsContact C-N 3.26Å; L299-S301 PolarHBondContact O-N 2.97Å; L299-Q302 PolarHBondContact O-N 3.08Å; L299-Q302 VanDerWaalsContact O-N 3.1Å; L299-C303 PolarHBondContact O-N 3.49Å; L299-C303 PolarHBondContact O-SG 3.01Å; L299-L311 HydrophobicContact CD2-CD2 3.49Å; L299-L311 VanDerWaalsContact CD2-CD2 3.49Å; L299-L311 HydrophobicContact CG-CD2 4.34Å; L299-V375 HydrophobicContact CD1-CG1 4.02Å; L299-V375 HydrophobicContact CD1-CG2 4.4Å; L299-L377 HydrophobicContact CD2-CD1 4.14Å; L299-L377 HydrophobicContact CD2-CD2 4.24Å; L299-F485 HydrophobicContact CD1-CE2 3.43Å; L299-F485 VanDerWaalsContact CD1-CE2 3.43Å; L299-F485 HydrophobicContact CD1-CZ 3.41Å; L299-F485 VanDerWaalsContact CD1-CZ 3.41Å; L299-F485 HydrophobicContact CG-CZ 4.48Å
300	A	70.1	Confident	74.7	Confident	24 Å²	24	35.2 Å²	35.2	20%	0.198	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-34	-178.2	0	0	0	0	0	112.8	F296 T297 Q302 C303 L308	F296-A300 HydrophobicContact CD1-CB 4.42Å; F296-A300 HydrophobicContact CE1-CB 4.01Å; F296-A300 HydrophobicContact CZ-CB 4.31Å; F296-A300 PolarHBondContact O-N 3.32Å; T297-A300 PolarHBondContact O-N 3.39Å; A300-Q302 PolarHBondContact O-N 3.46Å; A300-C303 PolarHBondContact O-N 3Å; A300-L308 HydrophobicContact CB-CD1 3.85Å; A300-L308 HydrophobicContact CB-CD2 4.22Å
301	S	66.3	Low	73.8	Confident	94 Å²	94	35.9 Å²	35.9	66%	0.657	21%	0.21	S	C	*	.	H	α-helix	trans	-66.2	-20.9	177.8	75.3	0	0	0	0	114.2	T297 S298 L299	T297-S301 PolarHBondContact O-N 3.36Å; T297-S301 VanDerWaalsContact O-N 3.12Å; S298-S301 PolarHBondContact O-N 3.34Å; S298-S301 PolarHBondContact O-OG 3.49Å; L299-S301 VanDerWaalsContact C-N 3.26Å; L299-S301 PolarHBondContact O-N 2.97Å
302	Q	68.3	Low	73	Confident	105 Å²	105	35.9 Å²	35.9	49%	0.491	21%	0.21	S	C	.	.	H	α-helix	trans	-101.8	-6.1	-176.5	-61.2	177.3	39.9	0	0	113.1	L299 A300 F485	L299-Q302 PolarHBondContact O-N 3.08Å; L299-Q302 VanDerWaalsContact O-N 3.1Å; A300-Q302 PolarHBondContact O-N 3.46Å; Q302-F485 HydrophobicContact CB-CD1 3.75Å; Q302-F485 HydrophobicContact CB-CE1 3.45Å; Q302-F485 VanDerWaalsContact CB-CE1 3.45Å; Q302-F485 HydrophobicContact CB-CZ 4.02Å
303	C	66.1	Low	72.2	Confident	20 Å²	20	35.4 Å²	35.4	14%	0.135	21%	0.208	C	C	.	.	S	Bend	trans	-99.1	148.5	-176.7	-69.3	0	0	0	0	112.2	L299 A300 E307 L308	L299-C303 PolarHBondContact O-N 3.49Å; L299-C303 PolarHBondContact O-SG 3.01Å; A300-C303 PolarHBondContact O-N 3Å; C303-E307 HydrophobicContact CB-CB 4.37Å; C303-L308 HydrophobicContact CB-CB 4.14Å
304	T	70.2	Confident	71.6	Confident	74 Å²	74	36.6 Å²	36.6	45%	0.454	21%	0.213	S	C	.	.			trans	-72.4	160.3	164.7	63.4	0	0	0	0	111	Q306 E307 L308	T304-Q306 PolarHBondContact O-N 3.04Å; T304-E307 WeakPolarHBondContact CB-OE2 3.3Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.43Å; T304-E307 PolarHBondContact N-OE2 3.14Å; T304-E307 PolarHBondContact O-N 2.85Å; T304-E307 VanDerWaalsContact O-N 3.13Å; T304-E307 WeakPolarHBondContact OG1-CB 3.24Å; T304-E307 VanDerWaalsContact OG1-CG 3.23Å; T304-E307 WeakPolarHBondContact OG1-CG 3.42Å; T304-E307 PolarHBondContact OG1-N 3.14Å; T304-E307 PolarHBondContact OG1-OE2 2.99Å; T304-L308 WeakPolarHBondContact O-CB 3.39Å; T304-L308 PolarHBondContact O-N 3.41Å
305	A	68.5	Low	71.3	Confident	16 Å²	16	35.7 Å²	35.7	13%	0.132	21%	0.207	C	C	.	.	H	α-helix	trans	-51.4	-42.5	177.2	0	0	0	0	0	113.4	V309 V988	A305-V309 WeakPolarHBondContact O-CB 3.45Å; A305-V309 WeakPolarHBondContact O-CG2 3.39Å; A305-V309 PolarHBondContact O-N 3.33Å; A305-V309 VanDerWaalsContact O-N 3.09Å; A305-V988 HydrophobicContact CB-CB 4.23Å; A305-V988 HydrophobicContact CB-CG1 3.55Å; A305-V988 HydrophobicContact CB-CG2 3.62Å
306	Q	68.1	Low	71.7	Confident	102 Å²	102	34.7 Å²	34.7	48%	0.477	20%	0.197	S	C	.	.	H	α-helix	trans	-66.9	-46.6	178.6	-176.3	177.6	0.4	0	0	111.9	T304 K310 Y864	T304-Q306 PolarHBondContact O-N 3.04Å; Q306-K310 VanDerWaalsContact O-CB 3.24Å; Q306-K310 WeakPolarHBondContact O-CB 3.48Å; Q306-K310 PolarHBondContact O-N 3.3Å; Q306-Y864 HydrophobicContact CB-CD2 4.02Å; Q306-Y864 HydrophobicContact CB-CE1 4.32Å; Q306-Y864 HydrophobicContact CB-CE2 3.54Å; Q306-Y864 HydrophobicContact CG-CD1 4.47Å; Q306-Y864 HydrophobicContact CG-CE1 3.82Å; Q306-Y864 HydrophobicContact CG-CE2 3.91Å; Q306-Y864 PolarHBondContact OE1-OH 2.74Å
307	E	72.3	Confident	71.8	Confident	54 Å²	54	34.6 Å²	34.6	25%	0.252	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-41.5	-179.8	-70.9	162.1	157.2	0	0	111.1	C303 T304 K310 L311	C303-E307 HydrophobicContact CB-CB 4.37Å; T304-E307 WeakPolarHBondContact CB-OE2 3.3Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.43Å; T304-E307 PolarHBondContact N-OE2 3.14Å; T304-E307 PolarHBondContact O-N 2.85Å; T304-E307 VanDerWaalsContact O-N 3.13Å; T304-E307 WeakPolarHBondContact OG1-CB 3.24Å; T304-E307 VanDerWaalsContact OG1-CG 3.23Å; T304-E307 WeakPolarHBondContact OG1-CG 3.42Å; T304-E307 PolarHBondContact OG1-N 3.14Å; T304-E307 PolarHBondContact OG1-OE2 2.99Å; E307-K310 PolarHBondContact O-N 2.89Å; E307-L311 WeakPolarHBondContact O-CB 3.45Å; E307-L311 PolarHBondContact O-N 2.72Å
308	L	74	Confident	72.3	Confident	9 Å²	9	35.4 Å²	35.4	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-52.4	177.9	-177.5	61.2	0	0	0	111.7	F296 A300 C303 T304 K310 L311 L312	F296-L308 HydrophobicContact CE2-CD1 4.27Å; F296-L308 HydrophobicContact CZ-CD1 3.74Å; A300-L308 HydrophobicContact CB-CD1 3.85Å; A300-L308 HydrophobicContact CB-CD2 4.22Å; C303-L308 HydrophobicContact CB-CB 4.14Å; T304-L308 WeakPolarHBondContact O-CB 3.39Å; T304-L308 PolarHBondContact O-N 3.41Å; L308-K310 PolarHBondContact O-N 3.27Å; L308-L311 PolarHBondContact O-N 2.77Å; L308-L312 HydrophobicContact CD1-CD1 4.21Å; L308-L312 HydrophobicContact CD1-CG 4.31Å; L308-L312 HydrophobicContact CG-CD1 4.12Å; L308-L312 WeakPolarHBondContact O-CB 3.44Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 3.32Å
309	V	73.3	Confident	73.2	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-34.2	179.9	171.9	0	0	0	0	111.3	A305 N313 V988	A305-V309 WeakPolarHBondContact O-CB 3.45Å; A305-V309 WeakPolarHBondContact O-CG2 3.39Å; A305-V309 PolarHBondContact O-N 3.33Å; A305-V309 VanDerWaalsContact O-N 3.09Å; V309-N313 WeakPolarHBondContact CG1-ND2 3.35Å; V309-N313 VanDerWaalsContact O-CB 3.27Å; V309-N313 WeakPolarHBondContact O-CB 3.38Å; V309-N313 PolarHBondContact O-N 3.24Å; V309-N313 PolarHBondContact O-ND2 2.7Å; V309-V988 HydrophobicContact CG2-CG1 4.17Å
310	K	70.9	Confident	73.9	Confident	35 Å²	35	32.3 Å²	32.3	15%	0.152	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-50.8	175.5	-176.7	173	-178.5	169.2	0	111.9	Q306 E307 L308 L312 N313 E314 V493	Q306-K310 VanDerWaalsContact O-CB 3.24Å; Q306-K310 WeakPolarHBondContact O-CB 3.48Å; Q306-K310 PolarHBondContact O-N 3.3Å; E307-K310 PolarHBondContact O-N 2.89Å; L308-K310 PolarHBondContact O-N 3.27Å; K310-L312 VanDerWaalsContact C-N 3.31Å; K310-L312 PolarHBondContact O-N 3.45Å; K310-N313 PolarHBondContact O-N 3.37Å; K310-E314 WeakPolarHBondContact CE-OE1 3.14Å; K310-E314 WeakPolarHBondContact O-CG 3.33Å; K310-E314 PolarHBondContact O-N 3.34Å; K310-V493 HydrophobicContact CD-CG1 4.29Å; K310-V493 HydrophobicContact CD-CG2 4.19Å
311	L	73.6	Confident	74.5	Confident	24 Å²	24	34.6 Å²	34.6	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-57.1	-47.6	177.6	175.3	67.7	0	0	0	111	L299 E307 L308 E314 L315	L299-L311 HydrophobicContact CD2-CD2 3.49Å; L299-L311 VanDerWaalsContact CD2-CD2 3.49Å; L299-L311 HydrophobicContact CG-CD2 4.34Å; E307-L311 WeakPolarHBondContact O-CB 3.45Å; E307-L311 PolarHBondContact O-N 2.72Å; L308-L311 PolarHBondContact O-N 2.77Å; L311-E314 PolarHBondContact O-N 2.87Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 PolarHBondContact O-N 3.49Å
312	L	75.8	Confident	75.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-44.1	178.8	-76.8	179.1	0	0	0	112.5	F296 L308 K310 E314 L315 F316 I992	F296-L312 HydrophobicContact CD2-CD2 4.48Å; F296-L312 HydrophobicContact CE1-CD2 4.48Å; F296-L312 HydrophobicContact CE2-CD2 3.36Å; F296-L312 HydrophobicContact CE2-CG 4.13Å; F296-L312 HydrophobicContact CZ-CD1 3.97Å; F296-L312 HydrophobicContact CZ-CD2 3.36Å; F296-L312 HydrophobicContact CZ-CG 3.89Å; L308-L312 HydrophobicContact CD1-CD1 4.21Å; L308-L312 HydrophobicContact CD1-CG 4.31Å; L308-L312 HydrophobicContact CG-CD1 4.12Å; L308-L312 WeakPolarHBondContact O-CB 3.44Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 3.32Å; K310-L312 VanDerWaalsContact C-N 3.31Å; K310-L312 PolarHBondContact O-N 3.45Å; L312-E314 VanDerWaalsContact C-N 3.29Å; L312-E314 PolarHBondContact O-N 3.08Å; L312-L315 PolarHBondContact O-N 3.37Å; L312-F316 HydrophobicContact CB-CD2 4.28Å; L312-F316 HydrophobicContact CD2-CD2 4.02Å; L312-F316 HydrophobicContact CD2-CE2 3.54Å; L312-F316 HydrophobicContact CD2-CZ 4.11Å; L312-F316 VanDerWaalsContact O-CB 3.28Å; L312-F316 WeakPolarHBondContact O-CB 3.5Å; L312-F316 PolarHBondContact O-N 3.49Å; L312-I992 HydrophobicContact CB-CD1 3.83Å; L312-I992 HydrophobicContact CD1-CD1 3.56Å; L312-I992 HydrophobicContact CG-CD1 4.3Å
313	N	72.9	Confident	76.5	Confident	7 Å²	7	25.5 Å²	25.5	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-64.3	-34.3	176.8	-89.8	-53.3	0	0	0	112.6	V309 K310 G317 L862 V991 I992 G993	V309-N313 WeakPolarHBondContact CG1-ND2 3.35Å; V309-N313 VanDerWaalsContact O-CB 3.27Å; V309-N313 WeakPolarHBondContact O-CB 3.38Å; V309-N313 PolarHBondContact O-N 3.24Å; V309-N313 PolarHBondContact O-ND2 2.7Å; K310-N313 PolarHBondContact O-N 3.37Å; N313-G317 VanDerWaalsContact O-CA 3.3Å; N313-G317 WeakPolarHBondContact O-CA 3.09Å; N313-G317 PolarHBondContact O-N 2.89Å; N313-L862 HydrophobicContact CB-CD1 4.41Å; N313-V991 PolarHBondContact ND2-O 3.01Å; N313-I992 VanDerWaalsContact OD1-CA 3.29Å; N313-I992 WeakPolarHBondContact OD1-CA 3.48Å; N313-G993 PolarHBondContact OD1-N 3.24Å
314	E	74.1	Confident	77.4	Confident	27 Å²	27	28 Å²	28	13%	0.126	15%	0.148	C	C	.	.	H	α-helix	trans	-72.8	-44.8	176.9	-70.9	175.4	-178.5	0	0	111.8	K310 L311 L312 K318 M496 A504	K310-E314 WeakPolarHBondContact CE-OE1 3.14Å; K310-E314 WeakPolarHBondContact O-CG 3.33Å; K310-E314 PolarHBondContact O-N 3.34Å; L311-E314 PolarHBondContact O-N 2.87Å; L312-E314 VanDerWaalsContact C-N 3.29Å; L312-E314 PolarHBondContact O-N 3.08Å; E314-K318 PolarHBondContact O-N 2.73Å; E314-M496 HydrophobicContact CB-CE 3.7Å; E314-M496 HydrophobicContact CG-CE 4.23Å; E314-M496 WeakPolarHBondContact OE2-CE 3.19Å; E314-A504 HydrophobicContact CG-CB 4.07Å
315	L	77.9	Confident	78.2	Confident	19 Å²	19	29.7 Å²	29.7	10%	0.099	15%	0.151	C	C	.	.	H	α-helix	trans	-68	-55.2	179.1	-177.9	63.6	0	0	0	111.9	I293 L311 L312 G317 K318 F319 I366	I293-L315 HydrophobicContact CD1-CD2 3.52Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 PolarHBondContact O-N 3.49Å; L312-L315 PolarHBondContact O-N 3.37Å; L315-G317 VanDerWaalsContact C-N 3.26Å; L315-G317 PolarHBondContact O-N 3.32Å; L315-K318 WeakPolarHBondContact O-CA 3.39Å; L315-K318 WeakPolarHBondContact O-CB 3.07Å; L315-K318 PolarHBondContact O-N 3.41Å; L315-F319 HydrophobicContact CD1-CE1 3.99Å; L315-F319 HydrophobicContact CD1-CE2 4.15Å; L315-F319 HydrophobicContact CD1-CZ 3.62Å; L315-F319 HydrophobicContact CD2-CE2 4.32Å; L315-F319 HydrophobicContact CD2-CZ 4.42Å; L315-F319 HydrophobicContact CG-CE2 3.91Å; L315-F319 HydrophobicContact CG-CZ 3.92Å; L315-F319 PolarHBondContact O-N 2.83Å; L315-I366 HydrophobicContact CD1-CD1 4.04Å; L315-I366 HydrophobicContact CD2-CD1 4.13Å
316	F	82.4	Confident	79.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.5	-26.4	179.1	-65.6	-38.1	0	0	0	112.4	I293 L312 K318 F319 D320 I333 Y338 I992	I293-F316 HydrophobicContact CD1-CE1 4.11Å; I293-F316 HydrophobicContact CD1-CZ 4.3Å; L312-F316 HydrophobicContact CB-CD2 4.28Å; L312-F316 HydrophobicContact CD2-CD2 4.02Å; L312-F316 HydrophobicContact CD2-CE2 3.54Å; L312-F316 HydrophobicContact CD2-CZ 4.11Å; L312-F316 VanDerWaalsContact O-CB 3.28Å; L312-F316 WeakPolarHBondContact O-CB 3.5Å; L312-F316 PolarHBondContact O-N 3.49Å; F316-K318 VanDerWaalsContact C-N 3.27Å; F316-K318 PolarHBondContact O-N 2.92Å; F316-F319 AromaticContact CD1-CD2 3.65Å; F316-F319 HydrophobicContact CD1-CD2 3.65Å; F316-F319 HydrophobicContact CD1-CE2 4.09Å; F316-F319 HydrophobicContact CE1-CD2 4.14Å; F316-F319 HydrophobicContact CE1-CE2 4.23Å; F316-F319 PolarHBondContact O-N 3.01Å; F316-D320 WeakPolarHBondContact O-CB 3.36Å; F316-D320 PolarHBondContact O-N 2.65Å; F316-I333 HydrophobicContact CB-CD1 4.16Å; F316-I333 HydrophobicContact CD2-CD1 3.82Å; F316-I333 HydrophobicContact CD2-CG2 4.25Å; F316-I333 HydrophobicContact CE2-CD1 4.28Å; F316-I333 HydrophobicContact CE2-CG2 3.61Å; F316-I333 HydrophobicContact CG-CD1 4.01Å; F316-I333 HydrophobicContact CZ-CG2 3.9Å; F316-Y338 AromaticContact CD1-CD2 3.9Å; F316-Y338 HydrophobicContact CD1-CD2 3.9Å; F316-Y338 HydrophobicContact CE1-CD2 4.3Å; F316-I992 HydrophobicContact CB-CG2 4.3Å; F316-I992 HydrophobicContact CD2-CG2 3.74Å
317	G	77	Confident	80.2	Confident	12 Å²	12	31.2 Å²	31.2	12%	0.124	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-36.5	168.1	0	0	0	0	0	112.4	N313 L315 E321	N313-G317 VanDerWaalsContact O-CA 3.3Å; N313-G317 WeakPolarHBondContact O-CA 3.09Å; N313-G317 PolarHBondContact O-N 2.89Å; L315-G317 VanDerWaalsContact C-N 3.26Å; L315-G317 PolarHBondContact O-N 3.32Å; G317-E321 PolarHBondContact O-N 3.15Å
318	K	78.3	Confident	81	Confident	46 Å²	46	29 Å²	29	20%	0.2	15%	0.147	C	C	.	.	H	α-helix	trans	-72	-40.3	173.7	-174.2	64.7	-167.2	167.2	0	111.9	E314 L315 F316 D320 E321 L322 T365 F502	E314-K318 PolarHBondContact O-N 2.73Å; L315-K318 WeakPolarHBondContact O-CA 3.39Å; L315-K318 WeakPolarHBondContact O-CB 3.07Å; L315-K318 PolarHBondContact O-N 3.41Å; F316-K318 VanDerWaalsContact C-N 3.27Å; F316-K318 PolarHBondContact O-N 2.92Å; K318-D320 VanDerWaalsContact C-N 3.32Å; K318-D320 PolarHBondContact O-N 2.8Å; K318-E321 WeakPolarHBondContact CD-OE2 3.13Å; K318-E321 IonicContact NZ-OE2 3.46Å; K318-E321 PolarHBondContact NZ-OE2 2.84Å; K318-E321 WeakPolarHBondContact O-CB 3.42Å; K318-E321 PolarHBondContact O-N 2.87Å; K318-E321 VanDerWaalsContact O-N 3.13Å; K318-L322 WeakPolarHBondContact O-CG 3.02Å; K318-L322 PolarHBondContact O-N 3Å; K318-T365 HydrophobicContact CG-CG2 3.9Å; K318-F502 HydrophobicContact CB-CD1 4.44Å; K318-F502 HydrophobicContact CB-CE1 4.35Å; K318-F502 HydrophobicContact CD-CD1 4.45Å; K318-F502 HydrophobicContact CD-CE1 4.26Å; K318-F502 HydrophobicContact CG-CE1 4.1Å
319	F	87.4	Confident	81.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-34.5	174.8	-62	-17	0	0	0	112.7	L315 F316 E321 L322 A323 Y338 M362 T365 M379	L315-F319 HydrophobicContact CD1-CE1 3.99Å; L315-F319 HydrophobicContact CD1-CE2 4.15Å; L315-F319 HydrophobicContact CD1-CZ 3.62Å; L315-F319 HydrophobicContact CD2-CE2 4.32Å; L315-F319 HydrophobicContact CD2-CZ 4.42Å; L315-F319 HydrophobicContact CG-CE2 3.91Å; L315-F319 HydrophobicContact CG-CZ 3.92Å; L315-F319 PolarHBondContact O-N 2.83Å; F316-F319 AromaticContact CD1-CD2 3.65Å; F316-F319 HydrophobicContact CD1-CD2 3.65Å; F316-F319 HydrophobicContact CD1-CE2 4.09Å; F316-F319 HydrophobicContact CE1-CD2 4.14Å; F316-F319 HydrophobicContact CE1-CE2 4.23Å; F316-F319 PolarHBondContact O-N 3.01Å; F319-E321 VanDerWaalsContact C-N 3.26Å; F319-E321 PolarHBondContact O-N 2.86Å; F319-L322 HydrophobicContact CD1-CD1 4.15Å; F319-L322 PolarHBondContact O-N 3.32Å; F319-A323 VanDerWaalsContact O-CB 3.24Å; F319-A323 WeakPolarHBondContact O-CB 3.3Å; F319-A323 PolarHBondContact O-N 3.45Å; F319-Y338 HydrophobicContact CB-CD2 4.03Å; F319-Y338 HydrophobicContact CB-CE1 4.27Å; F319-Y338 HydrophobicContact CB-CE2 3.69Å; F319-Y338 HydrophobicContact CB-CG 4.44Å; F319-Y338 HydrophobicContact CD2-CD2 4.1Å; F319-Y338 HydrophobicContact CD2-CG 4.16Å; F319-Y338 PolarHBondContact O-OH 2.81Å; F319-M362 HydrophobicContact CB-CE 4.39Å; F319-M362 HydrophobicContact CD1-CE 4.19Å; F319-M362 HydrophobicContact CD1-CG 4.14Å; F319-M362 HydrophobicContact CD2-CE 3.47Å; F319-M362 VanDerWaalsContact CD2-CE 3.47Å; F319-M362 HydrophobicContact CE1-CB 4.36Å; F319-M362 HydrophobicContact CE1-CE 4.32Å; F319-M362 HydrophobicContact CE1-CG 4.27Å; F319-M362 HydrophobicContact CE2-CE 3.69Å; F319-M362 HydrophobicContact CG-CE 3.78Å; F319-M362 HydrophobicContact CZ-CE 4.1Å; F319-T365 HydrophobicContact CE1-CG2 4.1Å; F319-M379 HydrophobicContact CE2-CE 3.62Å; F319-M379 HydrophobicContact CZ-CE 3.53Å; F319-M379 HydrophobicContact CZ-SD 4.44Å
320	D	84.6	Confident	82.4	Confident	9 Å²	9	32 Å²	32	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-36.8	171.7	-79.9	-7.5	0	0	0	111.6	F316 K318 T324 R330 Y338	F316-D320 WeakPolarHBondContact O-CB 3.36Å; F316-D320 PolarHBondContact O-N 2.65Å; K318-D320 VanDerWaalsContact C-N 3.32Å; K318-D320 PolarHBondContact O-N 2.8Å; D320-T324 PolarHBondContact O-N 3.47Å; D320-T324 PolarHBondContact O-OG1 2.89Å; D320-R330 VanDerWaalsContact CG-NH1 3.34Å; D320-R330 VanDerWaalsContact OD1-CD 3.24Å; D320-R330 WeakPolarHBondContact OD1-CD 3.44Å; D320-R330 IonicContact OD1-CZ 3.34Å; D320-R330 IonicContact OD1-NE 3.64Å; D320-R330 IonicContact OD1-NH1 3.8Å; D320-R330 PolarHBondContact OD1-NH1 3.44Å; D320-R330 IonicContact OD2-NH1 3.03Å; D320-R330 PolarHBondContact OD2-NH1 3.4Å; D320-Y338 PolarHBondContact OD1-OH 3.29Å
321	E	82.4	Confident	83.2	Confident	72 Å²	72	31 Å²	31	34%	0.336	15%	0.153	S	C	.	.	H	α-helix	trans	-67.9	-52.4	175.6	-172.4	177.5	-143.4	0	0	110.8	G317 K318 F319 A323 T324 E325	G317-E321 PolarHBondContact O-N 3.15Å; K318-E321 WeakPolarHBondContact CD-OE2 3.13Å; K318-E321 IonicContact NZ-OE2 3.46Å; K318-E321 PolarHBondContact NZ-OE2 2.84Å; K318-E321 WeakPolarHBondContact O-CB 3.42Å; K318-E321 PolarHBondContact O-N 2.87Å; K318-E321 VanDerWaalsContact O-N 3.13Å; F319-E321 VanDerWaalsContact C-N 3.26Å; F319-E321 PolarHBondContact O-N 2.86Å; E321-A323 VanDerWaalsContact C-N 3.3Å; E321-A323 PolarHBondContact O-N 3.33Å; E321-T324 WeakPolarHBondContact O-CA 3.41Å; E321-T324 WeakPolarHBondContact O-CB 3.38Å; E321-T324 PolarHBondContact O-N 3.33Å; E321-E325 WeakPolarHBondContact O-CG 3.38Å; E321-E325 PolarHBondContact O-N 2.91Å
322	L	87.8	Confident	83.7	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-57	-43.5	176.7	-66.7	176.8	0	0	0	111.8	K318 F319 T324 E325 N326 M358 D361 M362	K318-L322 WeakPolarHBondContact O-CG 3.02Å; K318-L322 PolarHBondContact O-N 3Å; F319-L322 HydrophobicContact CD1-CD1 4.15Å; F319-L322 PolarHBondContact O-N 3.32Å; L322-T324 PolarHBondContact O-N 3.48Å; L322-E325 PolarHBondContact O-N 3.47Å; L322-E325 VanDerWaalsContact O-N 3.16Å; L322-N326 WeakPolarHBondContact O-CB 3.4Å; L322-N326 PolarHBondContact O-N 3.12Å; L322-N326 PolarHBondContact O-ND2 3.28Å; L322-M358 VanDerWaalsContact C-SD 3.55Å; L322-M358 HydrophobicContact CB-CE 4.04Å; L322-M358 HydrophobicContact CB-SD 3.72Å; L322-D361 HydrophobicContact CD1-CB 4.05Å; L322-D361 HydrophobicContact CD2-CB 4.07Å; L322-M362 HydrophobicContact CD1-CG 4.45Å
323	A	88.6	Confident	83.9	Confident	3 Å²	3	30.2 Å²	30.2	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-36.4	176.8	0	0	0	0	0	111.1	F319 E321 H327 C328 Y338 M358	F319-A323 VanDerWaalsContact O-CB 3.24Å; F319-A323 WeakPolarHBondContact O-CB 3.3Å; F319-A323 PolarHBondContact O-N 3.45Å; E321-A323 VanDerWaalsContact C-N 3.3Å; E321-A323 PolarHBondContact O-N 3.33Å; A323-H327 CarbonylContact O-C 3.53Å; A323-H327 PolarHBondContact O-N 2.7Å; A323-H327 VanDerWaalsContact O-N 3.12Å; A323-C328 CarbonylContact C-O 3.57Å; A323-C328 HydrophobicContact CB-CB 4.22Å; A323-C328 CarbonylContact O-C 3.58Å; A323-C328 WeakPolarHBondContact O-CA 3.37Å; A323-C328 PolarHBondContact O-N 2.92Å; A323-Y338 WeakPolarHBondContact CB-OH 3.27Å; A323-M358 HydrophobicContact CB-CE 3.76Å; A323-M358 HydrophobicContact CB-SD 4.24Å; A323-M358 PolarHBondContact N-SD 3.15Å
324	T	85.1	Confident	84.2	Confident	73 Å²	73	30.9 Å²	30.9	45%	0.448	15%	0.152	S	C	.	.	H	α-helix	trans	-72.2	-39.7	176.7	-53.3	0	0	0	0	112.3	D320 E321 L322 H327 R995	D320-T324 PolarHBondContact O-N 3.47Å; D320-T324 PolarHBondContact O-OG1 2.89Å; E321-T324 WeakPolarHBondContact O-CA 3.41Å; E321-T324 WeakPolarHBondContact O-CB 3.38Å; E321-T324 PolarHBondContact O-N 3.33Å; L322-T324 PolarHBondContact O-N 3.48Å; T324-H327 PolarHBondContact O-N 3.25Å; T324-R995 PolarHBondContact OG1-NH1 3.35Å
325	E	87	Confident	84.2	Confident	110 Å²	110	30.5 Å²	30.5	51%	0.514	16%	0.156	S	C	.	.	H	α-helix	trans	-64.7	-43.2	177.5	-70.1	175.5	170.2	0	0	111.3	E321 L322 H327	E321-E325 WeakPolarHBondContact O-CG 3.38Å; E321-E325 PolarHBondContact O-N 2.91Å; L322-E325 PolarHBondContact O-N 3.47Å; L322-E325 VanDerWaalsContact O-N 3.16Å; E325-H327 VanDerWaalsContact C-N 3.26Å; E325-H327 PolarHBondContact O-N 2.96Å
326	N	89.3	Confident	84.1	Confident	26 Å²	26	30 Å²	30	14%	0.139	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	10.7	177.8	-67.5	-43.4	0	0	0	113.5	L322 C328 C354 M358 D361	L322-N326 WeakPolarHBondContact O-CB 3.4Å; L322-N326 PolarHBondContact O-N 3.12Å; L322-N326 PolarHBondContact O-ND2 3.28Å; N326-C328 PolarHBondContact O-N 3.36Å; N326-C328 VanDerWaalsContact O-N 3.11Å; N326-C354 VanDerWaalsContact O-CB 3.24Å; N326-C354 WeakPolarHBondContact O-CB 3.45Å; N326-M358 HydrophobicContact CB-CB 4.02Å; N326-M358 HydrophobicContact CB-SD 4.4Å; N326-M358 WeakPolarHBondContact ND2-CA 3.34Å; N326-D361 PolarHBondContact ND2-OD2 3.06Å
327	H	89.1	Confident	84.2	Confident	124 Å²	124	30 Å²	30	57%	0.574	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	23.5	178.8	-56.8	-79.4	0	0	0	115.5	A323 T324 E325 K348	A323-H327 CarbonylContact O-C 3.53Å; A323-H327 PolarHBondContact O-N 2.7Å; A323-H327 VanDerWaalsContact O-N 3.12Å; T324-H327 PolarHBondContact O-N 3.25Å; E325-H327 VanDerWaalsContact C-N 3.26Å; E325-H327 PolarHBondContact O-N 2.96Å; H327-K348 PolarHBondContact CD2-NZ 3.03Å
328	C	90.4	Very high	84.8	Confident	8 Å²	8	29.5 Å²	29.5	5%	0.054	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.8	171.8	-62.2	0	0	0	0	111.2	A323 N326 C340	A323-C328 CarbonylContact C-O 3.57Å; A323-C328 HydrophobicContact CB-CB 4.22Å; A323-C328 CarbonylContact O-C 3.58Å; A323-C328 WeakPolarHBondContact O-CA 3.37Å; A323-C328 PolarHBondContact O-N 2.92Å; N326-C328 PolarHBondContact O-N 3.36Å; N326-C328 VanDerWaalsContact O-N 3.11Å; C328-C340 HydrophobicContact CB-CB 4.31Å
329	R	87.4	Confident	85.4	Confident	58 Å²	58	27.5 Å²	27.5	22%	0.219	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.1	174.3	-174.3	83.8	174.7	-179.8	6	108.5	I331 C340 V341 T345 R996	R329-I331 HydrophobicContact CG-CD1 4.27Å; R329-I331 PolarHBondContact O-N 3.25Å; R329-C340 CarbonylContact O-C 3.51Å; R329-C340 VanDerWaalsContact O-CA 3.3Å; R329-C340 WeakPolarHBondContact O-CA 3.22Å; R329-C340 WeakPolarHBondContact O-CB 3.32Å; R329-V341 WeakPolarHBondContact CB-O 3.43Å; R329-V341 PolarHBondContact N-O 3.14Å; R329-V341 PolarHBondContact O-N 3.48Å; R329-T345 HydrophobicContact CG-CG2 4.44Å; R329-R996 VanDerWaalsContact CD-NH2 3.29Å; R329-R996 VanDerWaalsContact NH2-CZ 3.27Å
330	R	88.6	Confident	85.6	Confident	13 Å²	13	27.5 Å²	27.5	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	129.9	167.6	-165.5	-167.8	77.6	-171	19.3	110.5	D320 Y338 R996	D320-R330 VanDerWaalsContact CG-NH1 3.34Å; D320-R330 VanDerWaalsContact OD1-CD 3.24Å; D320-R330 WeakPolarHBondContact OD1-CD 3.44Å; D320-R330 IonicContact OD1-CZ 3.34Å; D320-R330 IonicContact OD1-NE 3.64Å; D320-R330 IonicContact OD1-NH1 3.8Å; D320-R330 PolarHBondContact OD1-NH1 3.44Å; D320-R330 IonicContact OD2-NH1 3.03Å; D320-R330 PolarHBondContact OD2-NH1 3.4Å; R330-Y338 WeakPolarHBondContact CB-OH 3.46Å; R330-Y338 HydrophobicContact CG-CD2 4.42Å; R330-Y338 HydrophobicContact CG-CE1 4.13Å; R330-Y338 HydrophobicContact CG-CE2 3.67Å; R330-Y338 VanDerWaalsContact CG-CZ 3.5Å; R330-Y338 WeakPolarHBondContact CG-OH 3.3Å; R330-R996 VanDerWaalsContact CZ-O 3.32Å; R330-R996 PolarHBondContact NH1-O 2.94Å; R330-R996 VanDerWaalsContact NH2-CB 3.26Å; R330-R996 PolarHBondContact NH2-O 2.86Å; R330-R996 PolarHBondContact O-NH1 3.14Å
331	I	87.3	Confident	86.1	Confident	15 Å²	15	27 Å²	27	8%	0.077	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-61	175.7	-54.5	-55.1	0	0	0	108.7	R329 Y339 V341 L344 Y400 V402	R329-I331 HydrophobicContact CG-CD1 4.27Å; R329-I331 PolarHBondContact O-N 3.25Å; I331-Y339 HydrophobicContact CB-CD1 3.66Å; I331-Y339 HydrophobicContact CB-CE1 3.72Å; I331-Y339 HydrophobicContact CG1-CD1 4.07Å; I331-Y339 HydrophobicContact CG1-CE1 3.72Å; I331-Y339 HydrophobicContact CG2-CD1 4.2Å; I331-Y339 HydrophobicContact CG2-CE1 4.08Å; I331-Y339 PolarHBondContact N-O 2.79Å; I331-V341 HydrophobicContact CD1-CB 4.35Å; I331-V341 HydrophobicContact CD1-CG2 4.2Å; I331-V341 HydrophobicContact CG1-CB 4.3Å; I331-V341 HydrophobicContact CG1-CG2 3.7Å; I331-L344 HydrophobicContact CD1-CD2 3.54Å; I331-Y400 HydrophobicContact CD1-CE1 4.39Å; I331-V402 HydrophobicContact CD1-CG1 4.15Å; I331-V402 HydrophobicContact CG1-CG1 4.27Å; I331-V402 HydrophobicContact CG2-CG1 4.29Å; I331-V402 HydrophobicContact CG2-CG2 4.32Å
332	K	83.4	Confident	86.6	Confident	5 Å²	5	23.6 Å²	23.6	2%	0.022	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.2	-171.4	-160.1	157.9	177.3	163.4	0	111.5	L334 Y339 D401 T924	K332-L334 HydrophobicContact CD-CD2 3.74Å; K332-L334 HydrophobicContact CD-CG 4.5Å; K332-L334 HydrophobicContact CG-CD2 3.83Å; K332-L334 HydrophobicContact CG-CG 4.25Å; K332-Y339 PolarHBondContact O-N 3.3Å; K332-D401 IonicContact NZ-OD2 2.69Å; K332-D401 PolarHBondContact NZ-OD2 3.19Å; K332-T924 PolarHBondContact NZ-O 3.46Å
333	I	81.6	Confident	86.7	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.6	163.6	-60.1	169.8	0	0	0	106.3	F316 G335 Y338 I992	F316-I333 HydrophobicContact CB-CD1 4.16Å; F316-I333 HydrophobicContact CD2-CD1 3.82Å; F316-I333 HydrophobicContact CD2-CG2 4.25Å; F316-I333 HydrophobicContact CE2-CD1 4.28Å; F316-I333 HydrophobicContact CE2-CG2 3.61Å; F316-I333 HydrophobicContact CG-CD1 4.01Å; F316-I333 HydrophobicContact CZ-CG2 3.9Å; I333-G335 WeakPolarHBondContact CG2-O 3.38Å; I333-Y338 HydrophobicContact CG1-CD2 4.28Å; I333-I992 HydrophobicContact CD1-CG2 3.79Å
334	L	78.2	Confident	86.5	Confident	20 Å²	20	23.7 Å²	23.7	11%	0.105	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	98.5	178.8	-62.4	176.3	0	0	0	106.2	K332 D336 C337 K923 I925 I1155	K332-L334 HydrophobicContact CD-CD2 3.74Å; K332-L334 HydrophobicContact CD-CG 4.5Å; K332-L334 HydrophobicContact CG-CD2 3.83Å; K332-L334 HydrophobicContact CG-CG 4.25Å; L334-D336 PolarHBondContact O-N 3.44Å; L334-D336 VanDerWaalsContact O-N 3.15Å; L334-C337 PolarHBondContact N-O 3.31Å; L334-C337 WeakPolarHBondContact O-CB 3.16Å; L334-C337 PolarHBondContact O-N 2.97Å; L334-K923 HydrophobicContact CD2-CD 4.43Å; L334-I925 HydrophobicContact CD2-CD1 4.17Å; L334-I925 HydrophobicContact CD2-CG1 4.1Å; L334-I1155 HydrophobicContact CB-CD1 3.92Å; L334-I1155 HydrophobicContact CB-CG2 4.1Å; L334-I1155 HydrophobicContact CD1-CD1 3.95Å; L334-I1155 WeakPolarHBondContact O-CG2 3.24Å
335	G	73.9	Confident	85.9	Confident	20 Å²	20	24.5 Å²	24.5	21%	0.206	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-117.9	-174.8	0	0	0	0	0	112	I333	I333-G335 WeakPolarHBondContact CG2-O 3.38Å
336	D	76.2	Confident	85.4	Confident	9 Å²	9	26.5 Å²	26.5	5%	0.048	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-11.3	172.8	33	9	0	0	0	114.6	I293 F296 L334 I1155	I293-D336 HydrophobicContact CB-CB 4.37Å; F296-D336 HydrophobicContact CB-CB 3.89Å; F296-D336 WeakPolarHBondContact CB-OD2 3.49Å; F296-D336 HydrophobicContact CD1-CB 3.47Å; F296-D336 VanDerWaalsContact CD1-CB 3.47Å; F296-D336 WeakPolarHBondContact CD1-OD2 3.16Å; F296-D336 HydrophobicContact CE1-CB 4.12Å; F296-D336 HydrophobicContact CG-CB 3.7Å; L334-D336 PolarHBondContact O-N 3.44Å; L334-D336 VanDerWaalsContact O-N 3.15Å; D336-I1155 VanDerWaalsContact OD1-O 3.08Å
337	C	85.2	Confident	85.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127	178.4	-172.9	0	0	0	0	111.6	A291 L334 I1155	A291-C337 CarbonylContact O-C 3.57Å; A291-C337 WeakPolarHBondContact O-CA 3.35Å; L334-C337 PolarHBondContact N-O 3.31Å; L334-C337 WeakPolarHBondContact O-CB 3.16Å; L334-C337 PolarHBondContact O-N 2.97Å; C337-I1155 HydrophobicContact CB-CD1 4.14Å; C337-I1155 HydrophobicContact CB-CG1 3.99Å; C337-I1155 HydrophobicContact CB-CG2 4.33Å
338	Y	89.3	Confident	85	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123	172.9	-174.4	-84.7	0	0	0	110	A291 F316 F319 D320 A323 R330 I333 C340 M358 M362	A291-Y338 PolarHBondContact N-O 3.45Å; A291-Y338 PolarHBondContact O-N 3.35Å; F316-Y338 AromaticContact CD1-CD2 3.9Å; F316-Y338 HydrophobicContact CD1-CD2 3.9Å; F316-Y338 HydrophobicContact CE1-CD2 4.3Å; F319-Y338 HydrophobicContact CB-CD2 4.03Å; F319-Y338 HydrophobicContact CB-CE1 4.27Å; F319-Y338 HydrophobicContact CB-CE2 3.69Å; F319-Y338 HydrophobicContact CB-CG 4.44Å; F319-Y338 HydrophobicContact CD2-CD2 4.1Å; F319-Y338 HydrophobicContact CD2-CG 4.16Å; F319-Y338 PolarHBondContact O-OH 2.81Å; D320-Y338 PolarHBondContact OD1-OH 3.29Å; A323-Y338 WeakPolarHBondContact CB-OH 3.27Å; R330-Y338 WeakPolarHBondContact CB-OH 3.46Å; R330-Y338 HydrophobicContact CG-CD2 4.42Å; R330-Y338 HydrophobicContact CG-CE1 4.13Å; R330-Y338 HydrophobicContact CG-CE2 3.67Å; R330-Y338 VanDerWaalsContact CG-CZ 3.5Å; R330-Y338 WeakPolarHBondContact CG-OH 3.3Å; I333-Y338 HydrophobicContact CG1-CD2 4.28Å; Y338-C340 HydrophobicContact CE1-CB 4.03Å; Y338-M358 HydrophobicContact CE1-CE 3.89Å; Y338-M362 HydrophobicContact CD1-CE 3.67Å; Y338-M362 HydrophobicContact CD1-SD 4.37Å; Y338-M362 HydrophobicContact CE1-CE 4.41Å; Y338-M362 HydrophobicContact CG-CE 3.98Å
339	Y	89.9	Confident	84.9	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.4	-174.3	173.4	-115.6	0	0	0	112.7	I288 L289 F290 I331 K332 V341 V402	I288-Y339 HydrophobicContact CG2-CD2 4.49Å; I288-Y339 HydrophobicContact CG2-CE2 3.27Å; I288-Y339 WeakPolarHBondContact CG2-OH 3.31Å; L289-Y339 WeakPolarHBondContact O-CA 3.31Å; L289-Y339 WeakPolarHBondContact O-CD2 3.47Å; F290-Y339 HydrophobicContact CB-CD2 4.46Å; F290-Y339 AromaticContact CD1-CD2 3.55Å; F290-Y339 HydrophobicContact CD1-CD2 3.55Å; F290-Y339 HydrophobicContact CD1-CE2 4.33Å; F290-Y339 AromaticContact CD1-CG 3.97Å; F290-Y339 HydrophobicContact CD1-CG 3.97Å; F290-Y339 AromaticContact CD2-CD2 3.45Å; F290-Y339 HydrophobicContact CD2-CD2 3.45Å; F290-Y339 VanDerWaalsContact CD2-CD2 3.45Å; F290-Y339 AromaticContact CD2-CE2 3.48Å; F290-Y339 HydrophobicContact CD2-CE2 3.48Å; F290-Y339 VanDerWaalsContact CD2-CE2 3.48Å; F290-Y339 HydrophobicContact CE1-CD1 4.33Å; F290-Y339 AromaticContact CE1-CD2 3.45Å; F290-Y339 HydrophobicContact CE1-CD2 3.45Å; F290-Y339 VanDerWaalsContact CE1-CD2 3.45Å; F290-Y339 HydrophobicContact CE1-CE2 4.02Å; F290-Y339 AromaticContact CE1-CG 3.64Å; F290-Y339 HydrophobicContact CE1-CG 3.64Å; F290-Y339 AromaticContact CE2-CD2 3.36Å; F290-Y339 HydrophobicContact CE2-CD2 3.36Å; F290-Y339 AromaticContact CE2-CE2 3.1Å; F290-Y339 HydrophobicContact CE2-CE2 3.1Å; F290-Y339 HydrophobicContact CE2-CG 4.26Å; F290-Y339 AromaticContact CE2-CZ 3.85Å; F290-Y339 AromaticContact CG-CD2 3.54Å; F290-Y339 HydrophobicContact CG-CD2 3.54Å; F290-Y339 HydrophobicContact CG-CE2 4.08Å; F290-Y339 HydrophobicContact CG-CG 4.4Å; F290-Y339 HydrophobicContact CZ-CD1 4.22Å; F290-Y339 AromaticContact CZ-CD2 3.35Å; F290-Y339 HydrophobicContact CZ-CD2 3.35Å; F290-Y339 HydrophobicContact CZ-CE1 4.28Å; F290-Y339 AromaticContact CZ-CE2 3.4Å; F290-Y339 HydrophobicContact CZ-CE2 3.4Å; F290-Y339 AromaticContact CZ-CG 3.79Å; F290-Y339 HydrophobicContact CZ-CG 3.79Å; F290-Y339 AromaticContact CZ-CZ 3.89Å; I331-Y339 HydrophobicContact CB-CD1 3.66Å; I331-Y339 HydrophobicContact CB-CE1 3.72Å; I331-Y339 HydrophobicContact CG1-CD1 4.07Å; I331-Y339 HydrophobicContact CG1-CE1 3.72Å; I331-Y339 HydrophobicContact CG2-CD1 4.2Å; I331-Y339 HydrophobicContact CG2-CE1 4.08Å; I331-Y339 PolarHBondContact N-O 2.79Å; K332-Y339 PolarHBondContact O-N 3.3Å; Y339-V341 HydrophobicContact CE1-CG2 4.14Å; Y339-V341 HydrophobicContact CE2-CG2 4.32Å; Y339-V341 VanDerWaalsContact OH-CG2 3.27Å; Y339-V341 WeakPolarHBondContact OH-CG2 3.33Å; Y339-V402 HydrophobicContact CE1-CG2 3.5Å; Y339-V402 VanDerWaalsContact CE1-CG2 3.5Å; Y339-V402 WeakPolarHBondContact OH-CG2 3.38Å
340	C	92.6	Very high	85.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.9	-178.4	72.9	0	0	0	0	113.6	L289 C328 R329 Y338	L289-C340 PolarHBondContact N-O 2.91Å; L289-C340 PolarHBondContact O-N 3.23Å; C328-C340 HydrophobicContact CB-CB 4.31Å; R329-C340 CarbonylContact O-C 3.51Å; R329-C340 VanDerWaalsContact O-CA 3.3Å; R329-C340 WeakPolarHBondContact O-CA 3.22Å; R329-C340 WeakPolarHBondContact O-CB 3.32Å; Y338-C340 HydrophobicContact CE1-CB 4.03Å
341	V	94.1	Very high	85.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.5	-176.9	-178	0	0	0	0	110.2	V286 S287 I288 R329 I331 Y339 L344	V286-V341 HydrophobicContact CB-CG1 3.92Å; V286-V341 HydrophobicContact CG1-CG1 4.48Å; V286-V341 HydrophobicContact CG2-CG1 4.2Å; S287-V341 CarbonylContact O-C 3.53Å; S287-V341 WeakPolarHBondContact O-CA 3.33Å; I288-V341 HydrophobicContact CG1-CG2 4.48Å; R329-V341 WeakPolarHBondContact CB-O 3.43Å; R329-V341 PolarHBondContact N-O 3.14Å; R329-V341 PolarHBondContact O-N 3.48Å; I331-V341 HydrophobicContact CD1-CB 4.35Å; I331-V341 HydrophobicContact CD1-CG2 4.2Å; I331-V341 HydrophobicContact CG1-CB 4.3Å; I331-V341 HydrophobicContact CG1-CG2 3.7Å; Y339-V341 HydrophobicContact CE1-CG2 4.14Å; Y339-V341 HydrophobicContact CE2-CG2 4.32Å; Y339-V341 VanDerWaalsContact OH-CG2 3.27Å; Y339-V341 WeakPolarHBondContact OH-CG2 3.33Å; V341-L344 HydrophobicContact CG1-CB 4.1Å
342	S	94.6	Very high	85.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.8	170.6	-174	0	0	0	0	110.8	V286 S287 H351 C355	V286-S342 WeakPolarHBondContact CA-O 3.44Å; V286-S342 WeakPolarHBondContact CB-O 3.47Å; S287-S342 PolarHBondContact N-O 3.38Å; S287-S342 VanDerWaalsContact N-O 3.17Å; S287-S342 PolarHBondContact O-N 3Å; S342-H351 WeakPolarHBondContact CB-O 3.3Å; S342-H351 WeakPolarHBondContact OG-CA 3.27Å; S342-H351 PolarHBondContact OG-O 3.4Å; S342-C355 WeakPolarHBondContact CB-SG 3.18Å
343	G	88.6	Confident	86.2	Confident	8 Å²	8	34.8 Å²	34.8	8%	0.082	20%	0.198	C	C	.	.	S	Bend	trans	88	0.3	-178.8	0	0	0	0	0	115.8	Q346	G343-Q346 CarbonylContact C-O 3.54Å; G343-Q346 WeakPolarHBondContact CA-O 3.29Å; G343-Q346 CarbonylContact O-C 3.52Å
344	L	84.3	Confident	86.8	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.201	C	C	.	.	S	Bend	trans	-75.7	-46.6	-173.4	-166.9	65.9	0	0	0	114.1	H283 I331 V341 V388 C390 Y400 V402	H283-L344 HydrophobicContact CB-CD1 4.1Å; H283-L344 PolarHBondContact CE1-O 2.92Å; H283-L344 PolarHBondContact ND1-O 2.96Å; H283-L344 VanDerWaalsContact ND1-O 3.13Å; I331-L344 HydrophobicContact CD1-CD2 3.54Å; V341-L344 HydrophobicContact CG1-CB 4.1Å; L344-V388 HydrophobicContact CD1-CG2 3.72Å; L344-C390 HydrophobicContact CD1-CB 3.91Å; L344-C390 HydrophobicContact CD2-CB 4.39Å; L344-Y400 HydrophobicContact CD2-CE1 3.78Å; L344-V402 HydrophobicContact CD2-CG1 4.2Å
345	T	72.8	Confident	87.6	Confident	90 Å²	90	34.2 Å²	34.2	55%	0.552	20%	0.196	S	C	*	.	S	Bend	trans	-82.4	-31.5	-177.3	49	0	0	0	0	113.4	R329	R329-T345 HydrophobicContact CG-CG2 4.44Å
346	Q	77.1	Confident	88.6	Confident	152 Å²	152	33.2 Å²	33.2	71%	0.71	19%	0.186	S	C	*	.	S	Bend	trans	-140.7	125.2	176.3	-70.1	-178.3	2	0	0	106.2	G343 K348	G343-Q346 CarbonylContact C-O 3.54Å; G343-Q346 WeakPolarHBondContact CA-O 3.29Å; G343-Q346 CarbonylContact O-C 3.52Å; Q346-K348 PolarHBondContact O-N 2.86Å
347	P	84.1	Confident	89.4	Confident	123 Å²	123	35.5 Å²	35.5	80%	0.799	20%	0.197	S	C	*	.			trans	-55.7	127	173.9	-21.9	32.2	0	0	0	108.9
348	K	85.9	Confident	89.8	Confident	59 Å²	59	35.5 Å²	35.5	26%	0.257	20%	0.197	S	C	.	.			trans	-130	138.2	-175.1	-169.4	170.2	-163.4	-148	0	107.8	H327 Q346 D350 H351 C354	H327-K348 PolarHBondContact CD2-NZ 3.03Å; Q346-K348 PolarHBondContact O-N 2.86Å; K348-D350 VanDerWaalsContact CE-CG 3.46Å; K348-D350 WeakPolarHBondContact CE-OD1 3.45Å; K348-D350 WeakPolarHBondContact CE-OD2 3.46Å; K348-D350 WeakPolarHBondContact CG-OD1 3.11Å; K348-D350 IonicContact NZ-OD1 3.29Å; K348-D350 IonicContact NZ-OD2 2.83Å; K348-D350 PolarHBondContact NZ-OD2 2.98Å; K348-H351 PolarHBondContact O-CD2 3.16Å; K348-C354 PolarHBondContact NZ-SG 3.22Å
349	T	87.9	Confident	90.1	Very high	136 Å²	136	35.5 Å²	35.5	83%	0.834	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-31.5	-176	49.5	0	0	0	0	112.6	H351	T349-H351 VanDerWaalsContact C-N 3.28Å; T349-H351 PolarHBondContact O-N 3.34Å
350	D	91.6	Very high	90.2	Very high	60 Å²	60	36.9 Å²	36.9	32%	0.321	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	27.4	176.6	57.9	-53	0	0	0	112.4	K348 A352 H353 C354	K348-D350 VanDerWaalsContact CE-CG 3.46Å; K348-D350 WeakPolarHBondContact CE-OD1 3.45Å; K348-D350 WeakPolarHBondContact CE-OD2 3.46Å; K348-D350 WeakPolarHBondContact CG-OD1 3.11Å; K348-D350 IonicContact NZ-OD1 3.29Å; K348-D350 IonicContact NZ-OD2 2.83Å; K348-D350 PolarHBondContact NZ-OD2 2.98Å; D350-A352 VanDerWaalsContact C-N 3.29Å; D350-A352 PolarHBondContact O-N 2.96Å; D350-H353 HydrophobicContact CB-CB 4.45Å; D350-H353 PolarHBondContact O-N 3.34Å; D350-C354 PolarHBondContact O-N 3.43Å; D350-C354 VanDerWaalsContact O-N 3.11Å; D350-C354 PolarHBondContact O-SG 3.03Å; D350-C354 PolarHBondContact OD2-SG 2.57Å
351	H	94.2	Very high	90.1	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.051	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-37.4	-176.5	61.2	87.5	0	0	0	112.8	N285 S287 S342 K348 T349 C354 C355 T385	N285-H351 PolarHBondContact O-CD2 3.01Å; S287-H351 PolarHBondContact N-ND1 3.23Å; S287-H351 PolarHBondContact OG-CE1 2.98Å; S287-H351 PolarHBondContact OG-ND1 3.19Å; S342-H351 WeakPolarHBondContact CB-O 3.3Å; S342-H351 WeakPolarHBondContact OG-CA 3.27Å; S342-H351 PolarHBondContact OG-O 3.4Å; K348-H351 PolarHBondContact O-CD2 3.16Å; T349-H351 VanDerWaalsContact C-N 3.28Å; T349-H351 PolarHBondContact O-N 3.34Å; H351-C354 WeakPolarHBondContact O-CB 3.5Å; H351-C355 PolarHBondContact O-N 3.46Å; H351-T385 VanDerWaalsContact CE1-CG2 3.5Å; H351-T385 WeakPolarHBondContact CE1-CG2 3.38Å
352	A	94.6	Very high	90	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-44.4	176.9	0	0	0	0	0	112.6	S287 D350 C354 C355 V356 T428 C431 L432	S287-A352 WeakPolarHBondContact OG-CA 3.37Å; S287-A352 PolarHBondContact OG-N 3.29Å; D350-A352 VanDerWaalsContact C-N 3.29Å; D350-A352 PolarHBondContact O-N 2.96Å; A352-C354 VanDerWaalsContact C-N 3.32Å; A352-C354 PolarHBondContact O-N 2.9Å; A352-C355 PolarHBondContact O-N 3.06Å; A352-V356 PolarHBondContact O-N 2.82Å; A352-T428 HydrophobicContact CB-CG2 4.43Å; A352-C431 HydrophobicContact CB-CB 3.71Å; A352-L432 HydrophobicContact CB-CD2 3.89Å; A352-L432 HydrophobicContact CB-CG 4.48Å
353	H	93.9	Very high	89.8	Confident	33 Å²	33	39 Å²	39	15%	0.153	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-45.3	176.1	-67.7	-97.2	0	0	0	111.2	D350 C355 V356 E357 L432 D435 Y436	D350-H353 HydrophobicContact CB-CB 4.45Å; D350-H353 PolarHBondContact O-N 3.34Å; H353-C355 VanDerWaalsContact C-N 3.31Å; H353-C355 PolarHBondContact O-N 3.4Å; H353-V356 PolarHBondContact O-N 2.95Å; H353-E357 WeakPolarHBondContact O-CG 3.39Å; H353-E357 PolarHBondContact O-N 3.09Å; H353-L432 PolarHBondContact CE1-O 3.26Å; H353-D435 IonicContact CE1-OD2 2.77Å; H353-D435 PolarHBondContact CE1-OD2 3Å; H353-D435 IonicContact ND1-OD2 3.15Å; H353-Y436 AromaticContact ND1-CE2 3.52Å
354	C	93.9	Very high	89.8	Confident	10 Å²	10	40.1 Å²	40.1	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-56.1	-44	177.2	-69.2	0	0	0	0	112.5	N326 K348 D350 H351 A352 M358	N326-C354 VanDerWaalsContact O-CB 3.24Å; N326-C354 WeakPolarHBondContact O-CB 3.45Å; K348-C354 PolarHBondContact NZ-SG 3.22Å; D350-C354 PolarHBondContact O-N 3.43Å; D350-C354 VanDerWaalsContact O-N 3.11Å; D350-C354 PolarHBondContact O-SG 3.03Å; D350-C354 PolarHBondContact OD2-SG 2.57Å; H351-C354 WeakPolarHBondContact O-CB 3.5Å; A352-C354 VanDerWaalsContact C-N 3.32Å; A352-C354 PolarHBondContact O-N 2.9Å; C354-M358 WeakPolarHBondContact O-CB 3.47Å; C354-M358 PolarHBondContact O-N 2.9Å
355	C	94.6	Very high	89.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.8	-36.1	178.8	-80.2	0	0	0	0	112.8	S287 L289 S342 H351 A352 H353 M358 G359 L383	S287-C355 PolarHBondContact O-SG 3.24Å; S287-C355 VanDerWaalsContact O-SG 3.38Å; L289-C355 HydrophobicContact CD1-CB 4.47Å; L289-C355 WeakPolarHBondContact CD1-O 3.4Å; S342-C355 WeakPolarHBondContact CB-SG 3.18Å; H351-C355 PolarHBondContact O-N 3.46Å; A352-C355 PolarHBondContact O-N 3.06Å; H353-C355 VanDerWaalsContact C-N 3.31Å; H353-C355 PolarHBondContact O-N 3.4Å; C355-M358 WeakPolarHBondContact O-CB 3.35Å; C355-M358 PolarHBondContact O-N 3.36Å; C355-G359 PolarHBondContact O-N 2.97Å; C355-L383 HydrophobicContact CB-CD1 3.48Å; C355-L383 VanDerWaalsContact CB-CD1 3.48Å; C355-L383 HydrophobicContact CB-CD2 4.49Å; C355-L383 HydrophobicContact CB-CG 4.04Å
356	V	94.6	Very high	90.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-48.6	175.9	170.3	0	0	0	0	110.7	A352 H353 M358 G359 L360 L383 L432 Y436 I460	A352-V356 PolarHBondContact O-N 2.82Å; H353-V356 PolarHBondContact O-N 2.95Å; V356-M358 VanDerWaalsContact C-N 3.31Å; V356-M358 PolarHBondContact O-N 2.82Å; V356-G359 PolarHBondContact O-N 3.41Å; V356-G359 VanDerWaalsContact O-N 3.1Å; V356-L360 HydrophobicContact CG1-CD1 4.15Å; V356-L360 WeakPolarHBondContact O-CG 3.45Å; V356-L360 PolarHBondContact O-N 3.03Å; V356-L383 HydrophobicContact CG2-CD1 3.76Å; V356-L432 HydrophobicContact CG2-CD1 3.95Å; V356-L432 HydrophobicContact CG2-CD2 3.86Å; V356-Y436 HydrophobicContact CG1-CD1 4.16Å; V356-Y436 HydrophobicContact CG1-CE1 3.82Å; V356-Y436 HydrophobicContact CG1-CE2 4.39Å; V356-I460 HydrophobicContact CG1-CD1 4.46Å; V356-I460 HydrophobicContact CG1-CG1 4.06Å; V356-I460 HydrophobicContact CG1-CG2 4.29Å
357	E	93.6	Very high	90.6	Very high	57 Å²	57	30.6 Å²	30.6	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-60.6	-41.4	176.7	-69	-66	116.6	0	0	111.3	H353 G359 L360 D361 Y436	H353-E357 WeakPolarHBondContact O-CG 3.39Å; H353-E357 PolarHBondContact O-N 3.09Å; E357-G359 VanDerWaalsContact C-N 3.34Å; E357-G359 PolarHBondContact O-N 2.84Å; E357-L360 PolarHBondContact O-N 3.4Å; E357-D361 WeakPolarHBondContact O-CB 3.42Å; E357-D361 PolarHBondContact O-N 3.19Å; E357-Y436 WeakPolarHBondContact OE1-CE1 3.44Å; E357-Y436 PolarHBondContact OE1-OH 3.35Å; E357-Y436 VanDerWaalsContact OE1-OH 3.05Å
358	M	94.1	Very high	90.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56	-46.9	172.2	178.6	65.5	-175.5	0	0	112.3	L289 L322 A323 N326 Y338 C354 C355 V356 D361 M362	L289-M358 HydrophobicContact CD1-CB 4.32Å; L289-M358 HydrophobicContact CD1-CG 4.23Å; L322-M358 VanDerWaalsContact C-SD 3.55Å; L322-M358 HydrophobicContact CB-CE 4.04Å; L322-M358 HydrophobicContact CB-SD 3.72Å; A323-M358 HydrophobicContact CB-CE 3.76Å; A323-M358 HydrophobicContact CB-SD 4.24Å; A323-M358 PolarHBondContact N-SD 3.15Å; N326-M358 HydrophobicContact CB-CB 4.02Å; N326-M358 HydrophobicContact CB-SD 4.4Å; N326-M358 WeakPolarHBondContact ND2-CA 3.34Å; Y338-M358 HydrophobicContact CE1-CE 3.89Å; C354-M358 WeakPolarHBondContact O-CB 3.47Å; C354-M358 PolarHBondContact O-N 2.9Å; C355-M358 WeakPolarHBondContact O-CB 3.35Å; C355-M358 PolarHBondContact O-N 3.36Å; V356-M358 VanDerWaalsContact C-N 3.31Å; V356-M358 PolarHBondContact O-N 2.82Å; M358-D361 PolarHBondContact O-N 3.44Å; M358-M362 HydrophobicContact CE-CE 4.5Å; M358-M362 HydrophobicContact CE-CG 3.76Å; M358-M362 HydrophobicContact CE-SD 3.59Å; M358-M362 VanDerWaalsContact CE-SD 3.59Å; M358-M362 HydrophobicContact CG-SD 4.27Å; M358-M362 VanDerWaalsContact O-CG 3.24Å; M358-M362 WeakPolarHBondContact O-CG 3.48Å; M358-M362 PolarHBondContact O-N 3.32Å; M358-M362 HydrophobicContact SD-CG 4.35Å
359	G	94.2	Very high	89.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-42.6	178.6	0	0	0	0	0	113	C355 V356 E357 M362 I363	C355-G359 PolarHBondContact O-N 2.97Å; V356-G359 PolarHBondContact O-N 3.41Å; V356-G359 VanDerWaalsContact O-N 3.1Å; E357-G359 VanDerWaalsContact C-N 3.34Å; E357-G359 PolarHBondContact O-N 2.84Å; G359-M362 PolarHBondContact O-N 2.89Å; G359-I363 WeakPolarHBondContact O-CG1 3.48Å; G359-I363 PolarHBondContact O-N 3.32Å; G359-I363 VanDerWaalsContact O-N 3.15Å
360	L	92.8	Very high	89.1	Confident	32 Å²	32	19.1 Å²	19.1	17%	0.168	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-46.2	176.5	-66.8	173.4	0	0	0	111.6	V356 E357 M362 I363 D364 V422 P462	V356-L360 HydrophobicContact CG1-CD1 4.15Å; V356-L360 WeakPolarHBondContact O-CG 3.45Å; V356-L360 PolarHBondContact O-N 3.03Å; E357-L360 PolarHBondContact O-N 3.4Å; L360-M362 VanDerWaalsContact C-N 3.31Å; L360-M362 PolarHBondContact O-N 3.27Å; L360-I363 PolarHBondContact O-N 2.99Å; L360-D364 PolarHBondContact O-N 2.92Å; L360-V422 HydrophobicContact CD2-CG2 3.89Å; L360-V422 HydrophobicContact CG-CG2 4.22Å; L360-P462 HydrophobicContact CD2-CG 4.32Å
361	D	91.1	Very high	88.2	Confident	33 Å²	33	23 Å²	23	18%	0.176	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-37.1	178.2	-76.5	-23.6	0	0	0	112.5	L322 N326 E357 M358 T365	L322-D361 HydrophobicContact CD1-CB 4.05Å; L322-D361 HydrophobicContact CD2-CB 4.07Å; N326-D361 PolarHBondContact ND2-OD2 3.06Å; E357-D361 WeakPolarHBondContact O-CB 3.42Å; E357-D361 PolarHBondContact O-N 3.19Å; M358-D361 PolarHBondContact O-N 3.44Å; D361-T365 VanDerWaalsContact O-CB 3.26Å; D361-T365 WeakPolarHBondContact O-CB 3.29Å; D361-T365 PolarHBondContact O-N 3.47Å; D361-T365 PolarHBondContact O-OG1 2.97Å
362	M	91.4	Very high	86.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-43.6	175	-72.4	179.7	85.3	0	0	111.6	L289 A291 F319 L322 Y338 M358 G359 L360 T365 I366 M379	L289-M362 HydrophobicContact CD2-SD 4.09Å; A291-M362 HydrophobicContact CB-CE 3.57Å; A291-M362 HydrophobicContact CB-SD 3.89Å; F319-M362 HydrophobicContact CB-CE 4.39Å; F319-M362 HydrophobicContact CD1-CE 4.19Å; F319-M362 HydrophobicContact CD1-CG 4.14Å; F319-M362 HydrophobicContact CD2-CE 3.47Å; F319-M362 VanDerWaalsContact CD2-CE 3.47Å; F319-M362 HydrophobicContact CE1-CB 4.36Å; F319-M362 HydrophobicContact CE1-CE 4.32Å; F319-M362 HydrophobicContact CE1-CG 4.27Å; F319-M362 HydrophobicContact CE2-CE 3.69Å; F319-M362 HydrophobicContact CG-CE 3.78Å; F319-M362 HydrophobicContact CZ-CE 4.1Å; L322-M362 HydrophobicContact CD1-CG 4.45Å; Y338-M362 HydrophobicContact CD1-CE 3.67Å; Y338-M362 HydrophobicContact CD1-SD 4.37Å; Y338-M362 HydrophobicContact CE1-CE 4.41Å; Y338-M362 HydrophobicContact CG-CE 3.98Å; M358-M362 HydrophobicContact CE-CE 4.5Å; M358-M362 HydrophobicContact CE-CG 3.76Å; M358-M362 HydrophobicContact CE-SD 3.59Å; M358-M362 VanDerWaalsContact CE-SD 3.59Å; M358-M362 HydrophobicContact CG-SD 4.27Å; M358-M362 VanDerWaalsContact O-CG 3.24Å; M358-M362 WeakPolarHBondContact O-CG 3.48Å; M358-M362 PolarHBondContact O-N 3.32Å; M358-M362 HydrophobicContact SD-CG 4.35Å; G359-M362 PolarHBondContact O-N 2.89Å; L360-M362 VanDerWaalsContact C-N 3.31Å; L360-M362 PolarHBondContact O-N 3.27Å; M362-T365 PolarHBondContact O-N 3.11Å; M362-I366 PolarHBondContact O-N 3.39Å; M362-M379 HydrophobicContact CB-SD 3.65Å; M362-M379 HydrophobicContact CE-CE 4.1Å; M362-M379 HydrophobicContact CE-SD 3.84Å; M362-M379 HydrophobicContact SD-SD 4.45Å
363	I	90.9	Very high	84.9	Confident	12 Å²	12	26.1 Å²	26.1	6%	0.062	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-43.7	176.8	-68.8	164	0	0	0	111	G359 L360 T365 I366 T367 V381 V422	G359-I363 WeakPolarHBondContact O-CG1 3.48Å; G359-I363 PolarHBondContact O-N 3.32Å; G359-I363 VanDerWaalsContact O-N 3.15Å; L360-I363 PolarHBondContact O-N 2.99Å; I363-T365 VanDerWaalsContact C-N 3.33Å; I363-T365 PolarHBondContact O-N 2.78Å; I363-I366 VanDerWaalsContact O-CG2 3.29Å; I363-I366 WeakPolarHBondContact O-CG2 3.4Å; I363-T367 VanDerWaalsContact O-CB 3.32Å; I363-T367 WeakPolarHBondContact O-CB 3.45Å; I363-T367 PolarHBondContact O-N 2.76Å; I363-T367 PolarHBondContact O-OG1 3.4Å; I363-V381 HydrophobicContact CD1-CG2 3.94Å; I363-V381 HydrophobicContact CG1-CG2 3.97Å; I363-V422 HydrophobicContact CD1-CG2 3.72Å
364	D	87.4	Confident	83.5	Confident	32 Å²	32	31.6 Å²	31.6	17%	0.171	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-37.3	177.7	-81.8	-13.9	0	0	0	111.8	L360 S368 I468	L360-D364 PolarHBondContact O-N 2.92Å; D364-S368 WeakPolarHBondContact O-CB 3.44Å; D364-S368 PolarHBondContact O-N 2.99Å; D364-S368 PolarHBondContact O-OG 2.98Å; D364-I468 HydrophobicContact CB-CD1 4.14Å
365	T	84.7	Confident	82.2	Confident	11 Å²	11	32.5 Å²	32.5	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-66	-49.4	176.4	-62.3	0	0	0	0	111.5	K318 F319 D361 M362 I363 T367 S368 V369	K318-T365 HydrophobicContact CG-CG2 3.9Å; F319-T365 HydrophobicContact CE1-CG2 4.1Å; D361-T365 VanDerWaalsContact O-CB 3.26Å; D361-T365 WeakPolarHBondContact O-CB 3.29Å; D361-T365 PolarHBondContact O-N 3.47Å; D361-T365 PolarHBondContact O-OG1 2.97Å; M362-T365 PolarHBondContact O-N 3.11Å; I363-T365 VanDerWaalsContact C-N 3.33Å; I363-T365 PolarHBondContact O-N 2.78Å; T365-T367 VanDerWaalsContact C-N 3.31Å; T365-T367 PolarHBondContact O-N 3Å; T365-S368 WeakPolarHBondContact O-CB 3.38Å; T365-S368 PolarHBondContact O-N 3.14Å; T365-V369 WeakPolarHBondContact O-CG2 3.42Å; T365-V369 PolarHBondContact O-N 3.31Å
366	I	84.2	Confident	81.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-35.5	179.5	-161.8	69.4	0	0	0	111.3	I293 L315 M362 I363 V369 A370 L377 M379	I293-I366 HydrophobicContact CG2-CD1 4.5Å; L315-I366 HydrophobicContact CD1-CD1 4.04Å; L315-I366 HydrophobicContact CD2-CD1 4.13Å; M362-I366 PolarHBondContact O-N 3.39Å; I363-I366 VanDerWaalsContact O-CG2 3.29Å; I363-I366 WeakPolarHBondContact O-CG2 3.4Å; I366-V369 CarbonylContact O-C 3.55Å; I366-V369 PolarHBondContact O-N 2.98Å; I366-A370 WeakPolarHBondContact O-CB 3.41Å; I366-A370 PolarHBondContact O-N 2.87Å; I366-L377 HydrophobicContact CD1-CB 4.41Å; I366-L377 HydrophobicContact CG1-CB 4.26Å; I366-M379 HydrophobicContact CG2-CB 3.83Å
367	T	83.9	Confident	80.6	Confident	32 Å²	32	40.6 Å²	40.6	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-44.7	175.2	-58.1	0	0	0	0	110.6	I363 T365 V369 A370 E371	I363-T367 VanDerWaalsContact O-CB 3.32Å; I363-T367 WeakPolarHBondContact O-CB 3.45Å; I363-T367 PolarHBondContact O-N 2.76Å; I363-T367 PolarHBondContact O-OG1 3.4Å; T365-T367 VanDerWaalsContact C-N 3.31Å; T365-T367 PolarHBondContact O-N 3Å; T367-V369 VanDerWaalsContact C-N 3.29Å; T367-V369 PolarHBondContact O-N 2.96Å; T367-A370 PolarHBondContact O-N 2.99Å; T367-E371 WeakPolarHBondContact O-CG 3.48Å; T367-E371 PolarHBondContact O-N 3.23Å
368	S	77.8	Confident	80.2	Confident	42 Å²	42	40.1 Å²	40.1	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-62.4	-36.6	176.3	-58.5	0	0	0	0	112.3	D364 T365 A372	D364-S368 WeakPolarHBondContact O-CB 3.44Å; D364-S368 PolarHBondContact O-N 2.99Å; D364-S368 PolarHBondContact O-OG 2.98Å; T365-S368 WeakPolarHBondContact O-CB 3.38Å; T365-S368 PolarHBondContact O-N 3.14Å; S368-A372 WeakPolarHBondContact O-CB 3.45Å; S368-A372 PolarHBondContact O-N 2.95Å
369	V	73	Confident	80	Confident	18 Å²	18	40.1 Å²	40.1	11%	0.109	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-46.1	173.4	174.9	0	0	0	0	110.2	T365 I366 T367 E371 A372 T373 F502	T365-V369 WeakPolarHBondContact O-CG2 3.42Å; T365-V369 PolarHBondContact O-N 3.31Å; I366-V369 CarbonylContact O-C 3.55Å; I366-V369 PolarHBondContact O-N 2.98Å; T367-V369 VanDerWaalsContact C-N 3.29Å; T367-V369 PolarHBondContact O-N 2.96Å; V369-E371 VanDerWaalsContact C-N 3.31Å; V369-E371 PolarHBondContact O-N 3.43Å; V369-A372 PolarHBondContact O-N 2.98Å; V369-T373 HydrophobicContact CG1-CG2 3.94Å; V369-T373 WeakPolarHBondContact O-CB 3.49Å; V369-T373 WeakPolarHBondContact O-CG2 3.41Å; V369-T373 PolarHBondContact O-N 3.44Å; V369-T373 VanDerWaalsContact O-N 3.09Å; V369-T373 PolarHBondContact O-OG1 3.47Å; V369-F502 HydrophobicContact CG2-CZ 4.38Å
370	A	73.9	Confident	79.9	Confident	18 Å²	18	44 Å²	44	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-57	-44.6	177.5	0	0	0	0	0	111.9	I366 T367 A372 T373 E374 V375 L377	I366-A370 WeakPolarHBondContact O-CB 3.41Å; I366-A370 PolarHBondContact O-N 2.87Å; T367-A370 PolarHBondContact O-N 2.99Å; A370-A372 PolarHBondContact O-N 3.37Å; A370-T373 PolarHBondContact O-N 2.99Å; A370-T373 PolarHBondContact O-OG1 2.86Å; A370-E374 PolarHBondContact O-N 2.93Å; A370-E374 VanDerWaalsContact O-N 3.09Å; A370-V375 WeakPolarHBondContact CB-O 3.24Å; A370-L377 HydrophobicContact CB-CB 4.39Å
371	E	73.3	Confident	80	Confident	142 Å²	142	42.5 Å²	42.5	66%	0.664	23%	0.23	S	C	*	.	H	α-helix	trans	-62.3	-40.9	176.8	-73.3	178.1	-177.2	0	0	113	T367 V369 T373	T367-E371 WeakPolarHBondContact O-CG 3.48Å; T367-E371 PolarHBondContact O-N 3.23Å; V369-E371 VanDerWaalsContact C-N 3.31Å; V369-E371 PolarHBondContact O-N 3.43Å; E371-T373 VanDerWaalsContact C-N 3.31Å; E371-T373 PolarHBondContact O-N 3.39Å
372	A	62.4	Low	80.3	Confident	69 Å²	69	40.9 Å²	40.9	57%	0.57	22%	0.222	S	C	*	.	H	α-helix	trans	-75.1	-20.1	-178.7	0	0	0	0	0	113.8	S368 V369 A370	S368-A372 WeakPolarHBondContact O-CB 3.45Å; S368-A372 PolarHBondContact O-N 2.95Å; V369-A372 PolarHBondContact O-N 2.98Å; A370-A372 PolarHBondContact O-N 3.37Å
373	T	58	Low	80.5	Confident	8 Å²	8	40.9 Å²	40.9	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-112.4	-9.7	-168.1	64.3	0	0	0	0	113.5	V369 A370 E371 V375 V488 L492	V369-T373 HydrophobicContact CG1-CG2 3.94Å; V369-T373 WeakPolarHBondContact O-CB 3.49Å; V369-T373 WeakPolarHBondContact O-CG2 3.41Å; V369-T373 PolarHBondContact O-N 3.44Å; V369-T373 VanDerWaalsContact O-N 3.09Å; V369-T373 PolarHBondContact O-OG1 3.47Å; A370-T373 PolarHBondContact O-N 2.99Å; A370-T373 PolarHBondContact O-OG1 2.86Å; E371-T373 VanDerWaalsContact C-N 3.31Å; E371-T373 PolarHBondContact O-N 3.39Å; T373-V375 PolarHBondContact O-N 2.93Å; T373-V375 VanDerWaalsContact O-N 3.07Å; T373-V375 PolarHBondContact OG1-N 3.3Å; T373-V488 WeakPolarHBondContact O-CG1 3.31Å; T373-L492 HydrophobicContact CG2-CD1 3.43Å; T373-L492 VanDerWaalsContact CG2-CD1 3.43Å; T373-L492 HydrophobicContact CG2-CD2 3.22Å; T373-L492 HydrophobicContact CG2-CG 3.24Å
374	E	63.1	Low	80.7	Confident	147 Å²	147	40.6 Å²	40.6	69%	0.687	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	19	-172.1	-57.6	-174.5	172.9	0	0	113.5	A370	A370-E374 PolarHBondContact O-N 2.93Å; A370-E374 VanDerWaalsContact O-N 3.09Å
375	V	67.3	Low	81.1	Confident	29 Å²	29	39.6 Å²	39.6	18%	0.176	22%	0.215	C	C	.	.			trans	-96	131.3	173	-173.9	0	0	0	0	108.3	L299 A370 T373 L377 V488	L299-V375 HydrophobicContact CD1-CG1 4.02Å; L299-V375 HydrophobicContact CD1-CG2 4.4Å; A370-V375 WeakPolarHBondContact CB-O 3.24Å; T373-V375 PolarHBondContact O-N 2.93Å; T373-V375 VanDerWaalsContact O-N 3.07Å; T373-V375 PolarHBondContact OG1-N 3.3Å; V375-L377 VanDerWaalsContact C-N 3.28Å; V375-L377 HydrophobicContact CB-CD1 4.45Å; V375-L377 HydrophobicContact CB-CG 4.23Å; V375-L377 HydrophobicContact CG1-CD1 4.23Å; V375-L377 HydrophobicContact CG1-CD2 4.06Å; V375-L377 HydrophobicContact CG1-CG 3.72Å; V375-L377 PolarHBondContact O-N 3.13Å; V375-V488 HydrophobicContact CG2-CG1 4.46Å
376	N	73.4	Confident	81.5	Confident	153 Å²	153	39.8 Å²	39.8	82%	0.818	22%	0.22	S	C	*	.			trans	-74.5	80.4	175.7	-170.8	19.5	0	0	0	110.6
377	L	81.1	Confident	81.9	Confident	17 Å²	17	44.4 Å²	44.4	9%	0.089	24%	0.237	C	C	.	.			trans	-107.3	140.6	174.1	-64.1	174.9	0	0	0	110	I293 L299 I366 A370 V375	I293-L377 HydrophobicContact CG2-CD2 4.31Å; L299-L377 HydrophobicContact CD2-CD1 4.14Å; L299-L377 HydrophobicContact CD2-CD2 4.24Å; I366-L377 HydrophobicContact CD1-CB 4.41Å; I366-L377 HydrophobicContact CG1-CB 4.26Å; A370-L377 HydrophobicContact CB-CB 4.39Å; V375-L377 VanDerWaalsContact C-N 3.28Å; V375-L377 HydrophobicContact CB-CD1 4.45Å; V375-L377 HydrophobicContact CB-CG 4.23Å; V375-L377 HydrophobicContact CG1-CD1 4.23Å; V375-L377 HydrophobicContact CG1-CD2 4.06Å; V375-L377 HydrophobicContact CG1-CG 3.72Å; V375-L377 PolarHBondContact O-N 3.13Å
378	N	87.1	Confident	82.2	Confident	47 Å²	47	43 Å²	43	25%	0.251	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	178.5	172.9	-157.3	-15.5	0	0	0	109.2	I293 V294 P419 G420	I293-N378 CarbonylContact C-O 3.49Å; V294-N378 HydrophobicContact CB-CB 4.17Å; V294-N378 PolarHBondContact N-O 3.01Å; V294-N378 PolarHBondContact O-N 3.19Å; N378-P419 HydrophobicContact CB-CB 4.15Å; N378-P419 WeakPolarHBondContact ND2-CB 3.3Å; N378-G420 WeakPolarHBondContact OD1-CA 3.41Å; N378-G420 PolarHBondContact OD1-N 3.42Å
379	M	89	Confident	82.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.7	-179.6	-179.4	164.3	-76.1	0	0	111.3	A291 D292 I293 F319 M362 I366 V381 G420	A291-M379 HydrophobicContact CB-CG 4.29Å; A291-M379 HydrophobicContact CB-SD 3.91Å; D292-M379 CarbonylContact O-C 3.46Å; D292-M379 VanDerWaalsContact O-CA 3.24Å; D292-M379 WeakPolarHBondContact O-CA 3.48Å; D292-M379 WeakPolarHBondContact O-CG 3.39Å; I293-M379 HydrophobicContact CG1-CE 3.71Å; F319-M379 HydrophobicContact CE2-CE 3.62Å; F319-M379 HydrophobicContact CZ-CE 3.53Å; F319-M379 HydrophobicContact CZ-SD 4.44Å; M362-M379 HydrophobicContact CB-SD 3.65Å; M362-M379 HydrophobicContact CE-CE 4.1Å; M362-M379 HydrophobicContact CE-SD 3.84Å; M362-M379 HydrophobicContact SD-SD 4.45Å; I366-M379 HydrophobicContact CG2-CB 3.83Å; M379-V381 HydrophobicContact CG-CG2 3.88Å; M379-V381 HydrophobicContact SD-CG2 4.28Å; M379-G420 PolarHBondContact O-N 3.24Å
380	R	92.6	Very high	83.6	Confident	82 Å²	82	40.4 Å²	40.4	31%	0.309	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.8	166.8	-68.1	175.8	-160.9	-164.7	5.9	108	A291 D292 V294 E414 P419	A291-R380 CarbonylContact C-O 3.48Å; A291-R380 VanDerWaalsContact CA-O 3.24Å; A291-R380 WeakPolarHBondContact CA-O 3.48Å; D292-R380 PolarHBondContact N-O 3.21Å; D292-R380 PolarHBondContact O-N 3.13Å; V294-R380 HydrophobicContact CG2-CG 3.71Å; R380-E414 HydrophobicContact CB-CG 4.4Å; R380-E414 VanDerWaalsContact CB-OE1 3.24Å; R380-E414 WeakPolarHBondContact CB-OE1 3.42Å; R380-P419 HydrophobicContact CG-CG 4.21Å
381	V	95.4	Very high	84.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.3	178.5	-176.1	0	0	0	0	108.9	L289 F290 A291 I363 M379 V422 H423	L289-V381 HydrophobicContact CD1-CG1 3.87Å; L289-V381 HydrophobicContact CD2-CG1 4.21Å; L289-V381 HydrophobicContact CG-CG1 3.86Å; F290-V381 WeakPolarHBondContact O-CA 3.2Å; A291-V381 HydrophobicContact CB-CG2 4.14Å; I363-V381 HydrophobicContact CD1-CG2 3.94Å; I363-V381 HydrophobicContact CG1-CG2 3.97Å; M379-V381 HydrophobicContact CG-CG2 3.88Å; M379-V381 HydrophobicContact SD-CG2 4.28Å; V381-V422 HydrophobicContact CB-CG2 4.37Å; V381-V422 HydrophobicContact CG1-CG1 4.22Å; V381-V422 HydrophobicContact CG1-CG2 4.44Å; V381-H423 WeakPolarHBondContact O-CB 3.46Å; V381-H423 PolarHBondContact O-N 3.36Å
382	G	95.6	Very high	85.1	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135	173.7	0	0	0	0	0	111.3	L289 F290	L289-G382 WeakPolarHBondContact CA-O 3.39Å; F290-G382 PolarHBondContact N-O 3.4Å; F290-G382 PolarHBondContact O-N 2.94Å
383	L	96.1	Very high	86.4	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.8	-176.3	-165.6	171.8	0	0	0	110.8	I288 C355 V356 H423 I424 T428	I288-L383 VanDerWaalsContact O-CA 3.26Å; I288-L383 WeakPolarHBondContact O-CA 3.34Å; C355-L383 HydrophobicContact CB-CD1 3.48Å; C355-L383 VanDerWaalsContact CB-CD1 3.48Å; C355-L383 HydrophobicContact CB-CD2 4.49Å; C355-L383 HydrophobicContact CB-CG 4.04Å; V356-L383 HydrophobicContact CG2-CD1 3.76Å; L383-H423 PolarHBondContact N-O 2.94Å; L383-I424 HydrophobicContact CB-CG2 4.18Å; L383-I424 WeakPolarHBondContact O-CA 3.45Å; L383-T428 HydrophobicContact CD2-CG2 3.38Å; L383-T428 WeakPolarHBondContact CD2-OG1 3.41Å
384	H	96.3	Very high	87.8	Confident	6 Å²	6	30 Å²	30	3%	0.028	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.3	173.4	176.8	62.2	0	0	0	110.7	I288 D406 A410 T425 T428	I288-H384 WeakPolarHBondContact CB-O 3.36Å; I288-H384 PolarHBondContact N-O 3.46Å; I288-H384 PolarHBondContact O-N 3.04Å; H384-D406 PolarHBondContact CD2-O 3.28Å; H384-D406 VanDerWaalsContact CD2-O 3.32Å; H384-D406 IonicContact NE2-OD1 3.34Å; H384-D406 PolarHBondContact NE2-OD1 2.9Å; H384-A410 HydrophobicContact CB-CB 3.84Å; H384-T425 HydrophobicContact CB-CG2 4.19Å; H384-T425 WeakPolarHBondContact ND1-CG2 3.37Å; H384-T425 PolarHBondContact ND1-OG1 3.42Å; H384-T428 WeakPolarHBondContact CA-OG1 3.26Å
385	T	95.6	Very high	88.9	Confident	11 Å²	11	25.5 Å²	25.5	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.8	178.8	-68.9	0	0	0	0	109.7	V286 S287 H351 T428	V286-T385 WeakPolarHBondContact O-CA 3.39Å; S287-T385 PolarHBondContact OG-OG1 3.15Å; H351-T385 VanDerWaalsContact CE1-CG2 3.5Å; H351-T385 WeakPolarHBondContact CE1-CG2 3.38Å; T385-T428 PolarHBondContact N-OG1 3.13Å; T385-T428 VanDerWaalsContact N-OG1 3.13Å; T385-T428 PolarHBondContact OG1-OG1 2.98Å
386	G	93.2	Very high	89.8	Confident	15 Å²	15	27 Å²	27	16%	0.155	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	-148.7	-177.1	0	0	0	0	0	113.6	N285 V286 D406	N285-G386 PolarHBondContact N-O 3.38Å; V286-G386 WeakPolarHBondContact CG2-O 3.41Å; V286-G386 PolarHBondContact N-O 3.38Å; V286-G386 PolarHBondContact O-N 3.35Å; G386-D406 WeakPolarHBondContact CA-OD2 3.38Å
387	R	91.1	Very high	90.4	Very high	96 Å²	96	21 Å²	21	36%	0.362	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.3	178.6	57.6	176.8	-177.6	-94.6	1.6	110.8	H283 S404 D406 E886	H283-R387 WeakPolarHBondContact O-CA 3.45Å; R387-S404 WeakPolarHBondContact O-CB 3.44Å; R387-S404 PolarHBondContact O-OG 2.9Å; R387-D406 VanDerWaalsContact CG-OD2 3.24Å; R387-D406 WeakPolarHBondContact CG-OD2 3.49Å; R387-D406 PolarHBondContact N-OD2 3.06Å; R387-E886 IonicContact CZ-OE2 3.16Å; R387-E886 IonicContact NE-OE2 2.69Å; R387-E886 PolarHBondContact NE-OE2 3.46Å; R387-E886 IonicContact NH2-OE2 3.96Å; R387-E886 PolarHBondContact NH2-OE2 2.98Å
388	V	91.8	Very high	90.5	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.012	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.6	177.6	-60.3	0	0	0	0	112.3	H283 V286 I288 L344 V407	H283-V388 HydrophobicContact CB-CG2 4.1Å; H283-V388 PolarHBondContact N-O 2.65Å; H283-V388 PolarHBondContact O-N 3.43Å; V286-V388 HydrophobicContact CG1-CG2 4.35Å; V286-V388 HydrophobicContact CG2-CB 4.2Å; V286-V388 HydrophobicContact CG2-CG1 3.64Å; V286-V388 HydrophobicContact CG2-CG2 3.65Å; I288-V388 HydrophobicContact CD1-CG1 3.54Å; I288-V388 HydrophobicContact CG1-CG1 4.14Å; L344-V388 HydrophobicContact CD1-CG2 3.72Å; V388-V407 HydrophobicContact CG1-CG2 3.73Å
389	L	91.1	Very high	90.3	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.037	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.7	159.9	-60.6	176.9	0	0	0	107.7	I280 R282 V402 W403 V894 L897	I280-L389 HydrophobicContact CG2-CB 3.9Å; I280-L389 HydrophobicContact CG2-CD2 4.33Å; R282-L389 HydrophobicContact CB-CD2 3.78Å; R282-L389 HydrophobicContact CG-CD2 4.05Å; L389-V402 CarbonylContact O-C 3.57Å; L389-V402 VanDerWaalsContact O-CA 3.23Å; L389-V402 WeakPolarHBondContact O-CA 3.08Å; L389-W403 WeakPolarHBondContact CB-O 3.31Å; L389-W403 PolarHBondContact N-O 3.07Å; L389-W403 PolarHBondContact O-N 3Å; L389-V894 HydrophobicContact CD1-CG2 3.95Å; L389-V894 HydrophobicContact CD2-CG2 3.91Å; L389-L897 HydrophobicContact CB-CD1 4.15Å; L389-L897 HydrophobicContact CD1-CD1 3.63Å
390	C	89.2	Confident	90.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.5	-179.3	70.2	0	0	0	0	110.9	I280 Q281 H283 L344 Y400 D401 V402	I280-C390 CarbonylContact C-O 3.05Å; I280-C390 WeakPolarHBondContact CA-O 3.33Å; Q281-C390 PolarHBondContact N-O 2.98Å; Q281-C390 PolarHBondContact O-N 3.29Å; Q281-C390 PolarHBondContact O-SG 3.48Å; H283-C390 PolarHBondContact CD2-SG 3.38Å; H283-C390 PolarHBondContact NE2-SG 3.02Å; L344-C390 HydrophobicContact CD1-CB 3.91Å; L344-C390 HydrophobicContact CD2-CB 4.39Å; C390-Y400 HydrophobicContact CB-CE2 4.26Å; C390-Y400 WeakPolarHBondContact CB-OH 3.25Å; C390-Y400 PolarHBondContact SG-OH 3.49Å; C390-D401 VanDerWaalsContact CA-O 3.3Å; C390-D401 WeakPolarHBondContact CA-O 3.3Å; C390-V402 HydrophobicContact CB-CG1 3.78Å
391	G	88.8	Confident	90	Very high	1 Å²	1	19 Å²	19	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.9	-164.9	-169.4	0	0	0	0	0	114.8	Y279 Y400 D401	Y279-G391 CarbonylContact O-C 3.52Å; Y279-G391 WeakPolarHBondContact O-CA 3.46Å; G391-Y400 WeakPolarHBondContact O-CA 3.48Å; G391-D401 PolarHBondContact N-O 2.99Å; G391-D401 PolarHBondContact O-N 2.78Å
392	V	89.3	Confident	89.7	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.012	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137	177	-176.7	0	0	0	0	109.3	L255 V259 M263 Y279 W398 Y400	L255-V392 HydrophobicContact CD2-CG2 3.95Å; V259-V392 HydrophobicContact CG1-CG2 4.08Å; M263-V392 HydrophobicContact CE-CB 4.08Å; M263-V392 HydrophobicContact CE-CG1 3.77Å; M263-V392 HydrophobicContact CE-CG2 4.44Å; M263-V392 HydrophobicContact SD-CB 4.2Å; M263-V392 HydrophobicContact SD-CG1 4.39Å; M263-V392 HydrophobicContact SD-CG2 3.99Å; Y279-V392 PolarHBondContact O-N 2.93Å; Y279-V392 VanDerWaalsContact O-N 3.11Å; V392-W398 HydrophobicContact CG1-CB 3.64Å; V392-W398 HydrophobicContact CG1-CG 3.83Å; V392-Y400 HydrophobicContact CG2-CD2 4.46Å
393	L	88.3	Confident	89.5	Confident	6 Å²	6	20.3 Å²	20.3	3%	0.031	10%	0.095	C	C	.	.			trans	-119.3	151.8	175.4	-61.7	179.5	0	0	0	111.4	I280 W403 L900 N901 I904	I280-L393 HydrophobicContact CD1-CD2 4.15Å; L393-W403 HydrophobicContact CB-CZ2 4.4Å; L393-W403 HydrophobicContact CD1-CH2 3.9Å; L393-W403 HydrophobicContact CD1-CZ2 3.28Å; L393-W403 HydrophobicContact CG-CH2 3.66Å; L393-W403 HydrophobicContact CG-CZ2 3.57Å; L393-W403 HydrophobicContact CG-CZ3 4.47Å; L393-L900 HydrophobicContact CD1-CD2 4.17Å; L393-N901 WeakPolarHBondContact CA-OD1 3.42Å; L393-N901 HydrophobicContact CD2-CB 3.94Å; L393-I904 HydrophobicContact CB-CD1 4.39Å; L393-I904 HydrophobicContact CD1-CD1 4.37Å
394	G	88.3	Confident	89.1	Confident	8 Å²	8	20.7 Å²	20.7	8%	0.082	10%	0.098	C	C	.	.	S	Bend	trans	82.4	173.1	175.9	0	0	0	0	0	114.6	W398 N901	G394-W398 VanDerWaalsContact O-CD1 3.29Å; G394-W398 PolarHBondContact O-NE1 3.13Å; G394-N901 PolarHBondContact N-OD1 3.42Å
395	L	86.5	Confident	88.7	Confident	54 Å²	54	24 Å²	24	28%	0.283	12%	0.116	S	C	.	.	S	Bend	trans	-96.4	-25.6	-177.8	-57.3	-178.8	0	0	0	112	W398 N827 A905 D908 E909	L395-W398 PolarHBondContact O-NE1 3.46Å; L395-N827 PolarHBondContact O-ND2 2.89Å; L395-N827 PolarHBondContact O-OD1 3.05Å; L395-A905 HydrophobicContact CD1-CB 3.91Å; L395-A905 HydrophobicContact CD2-CB 4.46Å; L395-A905 HydrophobicContact CG-CB 3.83Å; L395-D908 HydrophobicContact CB-CB 4.2Å; L395-D908 PolarHBondContact N-OD2 3.46Å; L395-E909 HydrophobicContact CD1-CG 4.03Å
396	R	86.1	Confident	88.5	Confident	61 Å²	61	24.7 Å²	24.7	23%	0.23	12%	0.119	C	C	.	.	S	Bend	trans	-118	147.9	-177.5	-65.7	176.6	168.2	-149.4	-1.4	112.3	W398 N827 D908 M911 D912 K921	R396-W398 PolarHBondContact O-N 3.24Å; R396-N827 WeakPolarHBondContact CA-OD1 3.23Å; R396-D908 HydrophobicContact CB-CB 4.28Å; R396-D908 HydrophobicContact CG-CB 4.06Å; R396-D908 PolarHBondContact N-OD2 3.44Å; R396-D908 PolarHBondContact NE-O 3.1Å; R396-M911 PolarHBondContact NH1-O 3.37Å; R396-D912 IonicContact CZ-OD1 3.81Å; R396-D912 IonicContact CZ-OD2 4Å; R396-D912 IonicContact NE-OD2 2.63Å; R396-D912 IonicContact NH2-OD1 3.89Å; R396-D912 PolarHBondContact NH2-OD1 3.24Å; R396-D912 IonicContact NH2-OD2 2.58Å; R396-D912 PolarHBondContact NH2-OD2 3.05Å; R396-K921 HydrophobicContact CB-CD 4.24Å; R396-K921 WeakPolarHBondContact O-CE 3.28Å; R396-K921 PolarHBondContact O-NZ 3.29Å
397	K	85.1	Confident	88.4	Confident	26 Å²	26	24.8 Å²	24.8	11%	0.113	12%	0.117	C	C	.	.	S	Bend	trans	54.3	51.6	176.3	-56.6	-62.7	-174.7	-170.5	0	113	Q399 N827 E920 K921	K397-Q399 WeakPolarHBondContact O-CG 3.35Å; K397-Q399 PolarHBondContact O-N 3.37Å; K397-N827 WeakPolarHBondContact CA-O 3.34Å; K397-N827 PolarHBondContact N-O 3.38Å; K397-E920 WeakPolarHBondContact CE-OE1 3.17Å; K397-E920 IonicContact NZ-OE1 3.76Å; K397-E920 PolarHBondContact NZ-OE1 2.74Å; K397-K921 HydrophobicContact CB-CD 4.03Å; K397-K921 HydrophobicContact CB-CG 4.33Å; K397-K921 HydrophobicContact CG-CB 4Å; K397-K921 HydrophobicContact CG-CD 4.17Å; K397-K921 HydrophobicContact CG-CG 4.2Å; K397-K921 WeakPolarHBondContact CG-O 3.39Å
398	W	84.6	Confident	88.2	Confident	24 Å²	24	21.8 Å²	21.8	9%	0.091	11%	0.109	C	C	.	.			trans	-51	122.9	178	-66	-25.6	0	0	0	111.9	M263 F267 V392 G394 L395 R396 I824 N827 L828	M263-W398 HydrophobicContact CB-CH2 4.49Å; M263-W398 HydrophobicContact CB-CZ3 4.23Å; M263-W398 HydrophobicContact CE-CB 4.24Å; M263-W398 HydrophobicContact CE-CD2 3.18Å; M263-W398 HydrophobicContact CE-CE3 3.45Å; M263-W398 VanDerWaalsContact CE-CE3 3.45Å; M263-W398 HydrophobicContact CE-CG 3.56Å; M263-W398 HydrophobicContact CE-CH2 4.04Å; M263-W398 HydrophobicContact CE-CZ2 3.82Å; M263-W398 HydrophobicContact CE-CZ3 3.87Å; M263-W398 HydrophobicContact SD-CD2 4.48Å; M263-W398 HydrophobicContact SD-CE3 4.3Å; F267-W398 HydrophobicContact CB-CH2 4.08Å; F267-W398 AromaticContact CD2-CH2 3.6Å; F267-W398 HydrophobicContact CD2-CH2 3.6Å; F267-W398 HydrophobicContact CD2-CZ2 4.12Å; F267-W398 HydrophobicContact CE2-CH2 4.37Å; F267-W398 HydrophobicContact CG-CH2 4.1Å; V392-W398 HydrophobicContact CG1-CB 3.64Å; V392-W398 HydrophobicContact CG1-CG 3.83Å; G394-W398 VanDerWaalsContact O-CD1 3.29Å; G394-W398 PolarHBondContact O-NE1 3.13Å; L395-W398 PolarHBondContact O-NE1 3.46Å; R396-W398 PolarHBondContact O-N 3.24Å; W398-I824 HydrophobicContact CZ3-CG2 4.25Å; W398-N827 VanDerWaalsContact CD2-ND2 3.25Å; W398-N827 WeakPolarHBondContact CZ2-ND2 3.43Å; W398-L828 HydrophobicContact CB-CD2 3.68Å; W398-L828 WeakPolarHBondContact O-CD2 3.16Å
399	Q	83.5	Confident	88.2	Confident	38 Å²	38	22.8 Å²	22.8	18%	0.178	11%	0.114	C	C	.	.			trans	-130.4	135.6	176	-71.9	173.1	25.4	0	0	107.6	K397 D401 I922	K397-Q399 WeakPolarHBondContact O-CG 3.35Å; K397-Q399 PolarHBondContact O-N 3.37Å; Q399-D401 PolarHBondContact O-N 2.64Å; Q399-I922 PolarHBondContact NE2-O 2.98Å; Q399-I922 VanDerWaalsContact NE2-O 3.1Å
400	Y	86.3	Confident	88.2	Confident	26 Å²	26	22.4 Å²	22.4	10%	0.102	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.7	173	-176.2	-103.1	0	0	0	108.8	P256 I331 L344 C390 G391 V392	P256-Y400 HydrophobicContact CG-CD1 4.06Å; P256-Y400 HydrophobicContact CG-CD2 3.78Å; P256-Y400 HydrophobicContact CG-CE1 4.03Å; P256-Y400 HydrophobicContact CG-CE2 3.78Å; P256-Y400 HydrophobicContact CG-CG 3.9Å; I331-Y400 HydrophobicContact CD1-CE1 4.39Å; L344-Y400 HydrophobicContact CD2-CE1 3.78Å; C390-Y400 HydrophobicContact CB-CE2 4.26Å; C390-Y400 WeakPolarHBondContact CB-OH 3.25Å; C390-Y400 PolarHBondContact SG-OH 3.49Å; G391-Y400 WeakPolarHBondContact O-CA 3.48Å; V392-Y400 HydrophobicContact CG2-CD2 4.46Å
401	D	88.2	Confident	88.2	Confident	16 Å²	16	23.1 Å²	23.1	9%	0.086	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	174.3	-174.1	-139.3	-27.3	0	0	0	111.4	K332 C390 G391 Q399 W403	K332-D401 IonicContact NZ-OD2 2.69Å; K332-D401 PolarHBondContact NZ-OD2 3.19Å; C390-D401 VanDerWaalsContact CA-O 3.3Å; C390-D401 WeakPolarHBondContact CA-O 3.3Å; G391-D401 PolarHBondContact N-O 2.99Å; G391-D401 PolarHBondContact O-N 2.78Å; Q399-D401 PolarHBondContact O-N 2.64Å; D401-W403 HydrophobicContact CB-CH2 3.62Å; D401-W403 HydrophobicContact CB-CZ2 3.64Å; D401-W403 HydrophobicContact CB-CZ3 4.29Å; D401-W403 WeakPolarHBondContact O-CZ3 3.19Å
402	V	89.9	Confident	88.3	Confident	7 Å²	7	23.3 Å²	23.3	4%	0.042	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143	-179.2	-58.3	0	0	0	0	112.1	I331 Y339 L344 L389 C390 V407	I331-V402 HydrophobicContact CD1-CG1 4.15Å; I331-V402 HydrophobicContact CG1-CG1 4.27Å; I331-V402 HydrophobicContact CG2-CG1 4.29Å; I331-V402 HydrophobicContact CG2-CG2 4.32Å; Y339-V402 HydrophobicContact CE1-CG2 3.5Å; Y339-V402 VanDerWaalsContact CE1-CG2 3.5Å; Y339-V402 WeakPolarHBondContact OH-CG2 3.38Å; L344-V402 HydrophobicContact CD2-CG1 4.2Å; L389-V402 CarbonylContact O-C 3.57Å; L389-V402 VanDerWaalsContact O-CA 3.23Å; L389-V402 WeakPolarHBondContact O-CA 3.08Å; C390-V402 HydrophobicContact CB-CG1 3.78Å; V402-V407 HydrophobicContact CB-CG2 4.47Å; V402-V407 HydrophobicContact CG2-CG1 4.32Å; V402-V407 HydrophobicContact CG2-CG2 3.99Å
403	W	89.8	Confident	88.4	Confident	21 Å²	21	23.2 Å²	23.2	8%	0.08	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.1	-177.8	-57.2	-91.6	0	0	0	110	L389 L393 D401 L897	L389-W403 WeakPolarHBondContact CB-O 3.31Å; L389-W403 PolarHBondContact N-O 3.07Å; L389-W403 PolarHBondContact O-N 3Å; L393-W403 HydrophobicContact CB-CZ2 4.4Å; L393-W403 HydrophobicContact CD1-CH2 3.9Å; L393-W403 HydrophobicContact CD1-CZ2 3.28Å; L393-W403 HydrophobicContact CG-CH2 3.66Å; L393-W403 HydrophobicContact CG-CZ2 3.57Å; L393-W403 HydrophobicContact CG-CZ3 4.47Å; D401-W403 HydrophobicContact CB-CH2 3.62Å; D401-W403 HydrophobicContact CB-CZ2 3.64Å; D401-W403 HydrophobicContact CB-CZ3 4.29Å; D401-W403 WeakPolarHBondContact O-CZ3 3.19Å; W403-L897 HydrophobicContact CB-CD1 3.92Å; W403-L897 HydrophobicContact CB-CD2 4.17Å; W403-L897 HydrophobicContact CD2-CD1 4.25Å; W403-L897 HydrophobicContact CD2-CD2 4.45Å; W403-L897 HydrophobicContact CE3-CD1 4.27Å; W403-L897 HydrophobicContact CG-CD1 4.12Å; W403-L897 HydrophobicContact CG-CD2 3.95Å
404	S	88.8	Confident	88.6	Confident	7 Å²	7	23.2 Å²	23.2	5%	0.049	12%	0.116	C	C	.	.			trans	178.7	158.4	170.8	163.3	0	0	0	0	109	R387 D406 V407 T408	R387-S404 WeakPolarHBondContact O-CB 3.44Å; R387-S404 PolarHBondContact O-OG 2.9Å; S404-D406 PolarHBondContact O-N 3.35Å; S404-D406 WeakPolarHBondContact OG-CB 3.22Å; S404-D406 PolarHBondContact OG-N 3.4Å; S404-V407 WeakPolarHBondContact O-CB 3.47Å; S404-V407 PolarHBondContact O-N 3.07Å; S404-V407 VanDerWaalsContact O-N 3.16Å; S404-T408 PolarHBondContact O-N 3.37Å
405	N	87.8	Confident	88.6	Confident	76 Å²	76	24.5 Å²	24.5	41%	0.406	13%	0.126	S	C	.	.	H	α-helix	trans	-58.9	-31.3	167.7	-69.6	-27.9	0	0	0	112.2	V407 T408 L409 E886	N405-V407 VanDerWaalsContact C-N 3.32Å; N405-V407 PolarHBondContact O-N 3.2Å; N405-T408 WeakPolarHBondContact O-CB 3.43Å; N405-T408 PolarHBondContact O-N 3.02Å; N405-L409 PolarHBondContact O-N 3.27Å; N405-E886 PolarHBondContact N-OE1 3.46Å
406	D	91.8	Very high	88.6	Confident	26 Å²	26	22 Å²	22	14%	0.139	11%	0.113	C	C	.	.	H	α-helix	trans	-69.3	-30.3	177.9	-61.6	-26.6	0	0	0	111.9	I288 H384 G386 R387 S404 L409 A410	I288-D406 HydrophobicContact CD1-CB 4.11Å; H384-D406 PolarHBondContact CD2-O 3.28Å; H384-D406 VanDerWaalsContact CD2-O 3.32Å; H384-D406 IonicContact NE2-OD1 3.34Å; H384-D406 PolarHBondContact NE2-OD1 2.9Å; G386-D406 WeakPolarHBondContact CA-OD2 3.38Å; R387-D406 VanDerWaalsContact CG-OD2 3.24Å; R387-D406 WeakPolarHBondContact CG-OD2 3.49Å; R387-D406 PolarHBondContact N-OD2 3.06Å; S404-D406 PolarHBondContact O-N 3.35Å; S404-D406 WeakPolarHBondContact OG-CB 3.22Å; S404-D406 PolarHBondContact OG-N 3.4Å; D406-L409 PolarHBondContact O-N 3.48Å; D406-A410 PolarHBondContact O-N 3.06Å
407	V	90.3	Very high	88.7	Confident	17 Å²	17	19.2 Å²	19.2	10%	0.103	10%	0.104	C	C	.	.	H	α-helix	trans	-67.7	-44.2	172.5	178.2	0	0	0	0	109.8	I288 F290 V388 V402 S404 N405 L409 A410 N411	I288-V407 HydrophobicContact CD1-CG2 3.9Å; F290-V407 HydrophobicContact CE2-CG1 4.04Å; F290-V407 WeakPolarHBondContact CE2-O 3.36Å; F290-V407 HydrophobicContact CZ-CG1 4Å; V388-V407 HydrophobicContact CG1-CG2 3.73Å; V402-V407 HydrophobicContact CB-CG2 4.47Å; V402-V407 HydrophobicContact CG2-CG1 4.32Å; V402-V407 HydrophobicContact CG2-CG2 3.99Å; S404-V407 WeakPolarHBondContact O-CB 3.47Å; S404-V407 PolarHBondContact O-N 3.07Å; S404-V407 VanDerWaalsContact O-N 3.16Å; N405-V407 VanDerWaalsContact C-N 3.32Å; N405-V407 PolarHBondContact O-N 3.2Å; V407-L409 VanDerWaalsContact C-N 3.32Å; V407-L409 PolarHBondContact O-N 3.37Å; V407-A410 PolarHBondContact O-N 2.91Å; V407-N411 PolarHBondContact O-N 3.17Å; V407-N411 VanDerWaalsContact O-N 3.1Å
408	T	87.8	Confident	89	Confident	33 Å²	33	20.9 Å²	20.9	20%	0.202	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-43.3	175.7	-54.3	0	0	0	0	110.9	S404 N405 N411 V412 I1147	S404-T408 PolarHBondContact O-N 3.37Å; N405-T408 WeakPolarHBondContact O-CB 3.43Å; N405-T408 PolarHBondContact O-N 3.02Å; T408-N411 WeakPolarHBondContact O-CB 3.1Å; T408-N411 PolarHBondContact O-N 3.38Å; T408-V412 WeakPolarHBondContact O-CG2 3.5Å; T408-V412 PolarHBondContact O-N 2.92Å; T408-I1147 HydrophobicContact CG2-CG2 3.99Å
409	L	90.4	Very high	89.4	Confident	22 Å²	22	22.3 Å²	22.3	12%	0.115	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-44	176.3	179.4	54.6	0	0	0	112.1	N405 D406 V407 N411 V412 M413 T425 F449 L450 I455	N405-L409 PolarHBondContact O-N 3.27Å; D406-L409 PolarHBondContact O-N 3.48Å; V407-L409 VanDerWaalsContact C-N 3.32Å; V407-L409 PolarHBondContact O-N 3.37Å; L409-N411 VanDerWaalsContact C-N 3.27Å; L409-N411 PolarHBondContact O-N 3.4Å; L409-V412 PolarHBondContact O-N 3.41Å; L409-V412 VanDerWaalsContact O-N 3.14Å; L409-M413 HydrophobicContact CD1-CG 4.29Å; L409-M413 VanDerWaalsContact O-CG 3.28Å; L409-M413 WeakPolarHBondContact O-CG 3.12Å; L409-M413 PolarHBondContact O-N 3.47Å; L409-T425 HydrophobicContact CD2-CG2 4.32Å; L409-T425 HydrophobicContact CG-CG2 4.37Å; L409-F449 HydrophobicContact CD1-CE1 4.27Å; L409-L450 HydrophobicContact CD1-CD2 3.93Å; L409-I455 HydrophobicContact CD1-CD1 3.48Å; L409-I455 VanDerWaalsContact CD1-CD1 3.48Å; L409-I455 HydrophobicContact CD2-CD1 4.16Å; L409-I455 HydrophobicContact CG-CD1 4.5Å
410	A	92.4	Very high	89.7	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-38.9	176.4	0	0	0	0	0	112.6	I288 F290 H384 D406 V407 M413 E414	I288-A410 HydrophobicContact CB-CB 3.88Å; I288-A410 HydrophobicContact CG2-CB 3.41Å; I288-A410 VanDerWaalsContact CG2-CB 3.41Å; F290-A410 HydrophobicContact CD2-CB 3.72Å; F290-A410 HydrophobicContact CE2-CB 3.94Å; H384-A410 HydrophobicContact CB-CB 3.84Å; D406-A410 PolarHBondContact O-N 3.06Å; V407-A410 PolarHBondContact O-N 2.91Å; A410-M413 WeakPolarHBondContact O-CB 3.36Å; A410-M413 PolarHBondContact O-N 2.9Å; A410-E414 PolarHBondContact O-N 3.15Å; A410-E414 VanDerWaalsContact O-N 3.16Å
411	N	88.8	Confident	90	Very high	14 Å²	14	24.1 Å²	24.1	8%	0.075	14%	0.142	C	C	.	.	H	α-helix	trans	-66.4	-43	174.9	-179.8	66.6	0	0	0	111.8	F290 V407 T408 L409 M413 E414 A415 A1151	F290-N411 HydrophobicContact CD1-CB 4.44Å; F290-N411 HydrophobicContact CD2-CB 4.09Å; F290-N411 HydrophobicContact CE1-CB 4.28Å; F290-N411 HydrophobicContact CE2-CB 3.88Å; F290-N411 HydrophobicContact CG-CB 4.36Å; F290-N411 HydrophobicContact CZ-CB 4Å; V407-N411 PolarHBondContact O-N 3.17Å; V407-N411 VanDerWaalsContact O-N 3.1Å; T408-N411 WeakPolarHBondContact O-CB 3.1Å; T408-N411 PolarHBondContact O-N 3.38Å; L409-N411 VanDerWaalsContact C-N 3.27Å; L409-N411 PolarHBondContact O-N 3.4Å; N411-M413 VanDerWaalsContact C-N 3.26Å; N411-M413 PolarHBondContact O-N 3.1Å; N411-E414 PolarHBondContact O-N 2.96Å; N411-E414 VanDerWaalsContact O-N 3.16Å; N411-A415 PolarHBondContact O-N 3.36Å; N411-A1151 WeakPolarHBondContact ND2-CB 3.46Å
412	V	89.7	Confident	90.3	Very high	6 Å²	6	23.4 Å²	23.4	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-36.9	173.9	171.8	0	0	0	0	111.6	T408 L409 E414 A415 G416 N447 F449 L450 I1147	T408-V412 WeakPolarHBondContact O-CG2 3.5Å; T408-V412 PolarHBondContact O-N 2.92Å; L409-V412 PolarHBondContact O-N 3.41Å; L409-V412 VanDerWaalsContact O-N 3.14Å; V412-E414 VanDerWaalsContact C-N 3.32Å; V412-E414 PolarHBondContact O-N 3.46Å; V412-A415 PolarHBondContact O-N 2.92Å; V412-G416 PolarHBondContact O-N 3.48Å; V412-N447 WeakPolarHBondContact CG1-OD1 3.45Å; V412-F449 HydrophobicContact CB-CD1 4.41Å; V412-F449 HydrophobicContact CG1-CB 4.12Å; V412-F449 HydrophobicContact CG1-CD1 3.93Å; V412-F449 HydrophobicContact CG1-CG 4.37Å; V412-F449 HydrophobicContact CG2-CB 4.49Å; V412-F449 HydrophobicContact CG2-CD1 4.14Å; V412-F449 HydrophobicContact CG2-CG 4.31Å; V412-L450 HydrophobicContact CG1-CD1 4.33Å; V412-L450 HydrophobicContact CG1-CD2 3.7Å; V412-L450 HydrophobicContact CG1-CG 3.7Å; V412-I1147 HydrophobicContact CG2-CG2 3.96Å
413	M	92.8	Very high	90.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-35.7	175.8	-72.1	-61.5	-66.4	0	0	112.5	L409 A410 N411 G417 H423 I424 T425 L450 T457	L409-M413 HydrophobicContact CD1-CG 4.29Å; L409-M413 VanDerWaalsContact O-CG 3.28Å; L409-M413 WeakPolarHBondContact O-CG 3.12Å; L409-M413 PolarHBondContact O-N 3.47Å; A410-M413 WeakPolarHBondContact O-CB 3.36Å; A410-M413 PolarHBondContact O-N 2.9Å; N411-M413 VanDerWaalsContact C-N 3.26Å; N411-M413 PolarHBondContact O-N 3.1Å; M413-G417 PolarHBondContact O-N 2.79Å; M413-G417 VanDerWaalsContact O-N 3.13Å; M413-H423 HydrophobicContact CE-CB 4.35Å; M413-H423 VanDerWaalsContact CE-CE1 3.44Å; M413-H423 WeakPolarHBondContact CE-CE1 3.39Å; M413-H423 WeakPolarHBondContact CE-ND1 3.38Å; M413-H423 PolarHBondContact O-ND1 3.47Å; M413-I424 VanDerWaalsContact CE-O 3.28Å; M413-I424 WeakPolarHBondContact CE-O 3.35Å; M413-T425 HydrophobicContact CE-CG2 3.79Å; M413-T425 HydrophobicContact CG-CG2 3.65Å; M413-T425 HydrophobicContact SD-CG2 3.65Å; M413-L450 HydrophobicContact SD-CD1 4.1Å; M413-L450 HydrophobicContact SD-CD2 3.93Å; M413-T457 HydrophobicContact CE-CG2 3.58Å; M413-T457 HydrophobicContact SD-CG2 3.52Å; M413-T457 VanDerWaalsContact SD-CG2 3.52Å
414	E	92.5	Very high	90.9	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-50.7	173.2	-178.7	-71.7	127	0	0	110.2	F290 D292 R380 A410 N411 V412 G416 G417	F290-E414 HydrophobicContact CB-CB 3.7Å; F290-E414 HydrophobicContact CB-CG 4.01Å; D292-E414 HydrophobicContact CB-CG 4.26Å; D292-E414 VanDerWaalsContact CB-OE1 3.29Å; D292-E414 WeakPolarHBondContact CB-OE1 3.27Å; R380-E414 HydrophobicContact CB-CG 4.4Å; R380-E414 VanDerWaalsContact CB-OE1 3.24Å; R380-E414 WeakPolarHBondContact CB-OE1 3.42Å; A410-E414 PolarHBondContact O-N 3.15Å; A410-E414 VanDerWaalsContact O-N 3.16Å; N411-E414 PolarHBondContact O-N 2.96Å; N411-E414 VanDerWaalsContact O-N 3.16Å; V412-E414 VanDerWaalsContact C-N 3.32Å; V412-E414 PolarHBondContact O-N 3.46Å; E414-G416 VanDerWaalsContact C-N 3.3Å; E414-G416 PolarHBondContact O-N 2.73Å; E414-G417 WeakPolarHBondContact O-CA 3.37Å; E414-G417 PolarHBondContact O-N 3.31Å
415	A	86.8	Confident	91.2	Very high	34 Å²	34	21.9 Å²	21.9	28%	0.281	13%	0.13	S	C	.	.	H	α-helix	trans	-59.2	-39.2	-178.5	0	0	0	0	0	112.8	N411 V412 G417	N411-A415 PolarHBondContact O-N 3.36Å; V412-A415 PolarHBondContact O-N 2.92Å; A415-G417 VanDerWaalsContact C-N 3.3Å
416	G	86.9	Confident	91.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0	174	0	0	0	0	0	114.9	V412 E414 R446	V412-G416 PolarHBondContact O-N 3.48Å; E414-G416 VanDerWaalsContact C-N 3.3Å; E414-G416 PolarHBondContact O-N 2.73Å; G416-R446 PolarHBondContact O-NE 3.39Å; G416-R446 PolarHBondContact O-NH2 2.82Å
417	G	89.3	Confident	91.6	Very high	4 Å²	4	25.6 Å²	25.6	4%	0.041	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-77.5	162.2	-178.6	0	0	0	0	0	113.8	M413 E414 A415	M413-G417 PolarHBondContact O-N 2.79Å; M413-G417 VanDerWaalsContact O-N 3.13Å; E414-G417 WeakPolarHBondContact O-CA 3.37Å; E414-G417 PolarHBondContact O-N 3.31Å; A415-G417 VanDerWaalsContact C-N 3.3Å
418	L	91.4	Very high	91.8	Very high	61 Å²	61	24.8 Å²	24.8	32%	0.319	14%	0.14	S	C	.	.	P	Polyproline II helix	trans	-102.6	141.2	176.2	-69.2	176.4	0	0	0	110.8	G420 K421 F459	L418-G420 PolarHBondContact O-N 3.02Å; L418-K421 HydrophobicContact CB-CD 4.41Å; L418-K421 PolarHBondContact O-N 3.19Å; L418-F459 HydrophobicContact CB-CE1 4.17Å; L418-F459 HydrophobicContact CB-CZ 3.97Å; L418-F459 HydrophobicContact CD1-CE2 3.74Å; L418-F459 HydrophobicContact CD1-CZ 3.7Å; L418-F459 HydrophobicContact CG-CE1 4.35Å; L418-F459 HydrophobicContact CG-CE2 4.23Å; L418-F459 HydrophobicContact CG-CZ 3.66Å
419	P	91.4	Very high	92.1	Very high	53 Å²	53	25.1 Å²	25.1	34%	0.344	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	131.7	177.5	-23	32.7	0	0	0	112.3	V294 N378 R380 K421	V294-P419 HydrophobicContact CG2-CB 4.24Å; V294-P419 HydrophobicContact CG2-CG 4.16Å; N378-P419 HydrophobicContact CB-CB 4.15Å; N378-P419 WeakPolarHBondContact ND2-CB 3.3Å; R380-P419 HydrophobicContact CG-CG 4.21Å; P419-K421 VanDerWaalsContact C-N 3.35Å
420	G	89.9	Confident	92.2	Very high	28 Å²	28	30.3 Å²	30.3	29%	0.289	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	8.6	178.5	0	0	0	0	0	115	N378 M379 L418	N378-G420 WeakPolarHBondContact OD1-CA 3.41Å; N378-G420 PolarHBondContact OD1-N 3.42Å; M379-G420 PolarHBondContact O-N 3.24Å; L418-G420 PolarHBondContact O-N 3.02Å
421	K	92.5	Very high	92.1	Very high	75 Å²	75	32.4 Å²	32.4	33%	0.326	18%	0.178	S	C	.	.	S	Bend	trans	-124.2	149.5	176.5	-61.1	-169.6	178	-170.2	0	111	L418 P419 E439 F459	L418-K421 HydrophobicContact CB-CD 4.41Å; L418-K421 PolarHBondContact O-N 3.19Å; P419-K421 VanDerWaalsContact C-N 3.35Å; K421-E439 WeakPolarHBondContact CD-OE1 3.49Å; K421-E439 WeakPolarHBondContact CE-OE1 3.38Å; K421-E439 IonicContact NZ-OE1 2.66Å; K421-E439 PolarHBondContact NZ-OE1 3.22Å; K421-E439 IonicContact NZ-OE2 3.78Å; K421-F459 HydrophobicContact CB-CD1 3.71Å; K421-F459 HydrophobicContact CB-CE1 4.19Å; K421-F459 HydrophobicContact CB-CG 4.26Å; K421-F459 HydrophobicContact CD-CB 4.29Å; K421-F459 HydrophobicContact CD-CD1 4.2Å; K421-F459 HydrophobicContact CD-CD2 4.28Å; K421-F459 HydrophobicContact CD-CG 4.02Å
422	V	95.5	Very high	92.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115	172.5	-178.2	0	0	0	0	108.7	L360 I363 V381 I424 F459 I460	L360-V422 HydrophobicContact CD2-CG2 3.89Å; L360-V422 HydrophobicContact CG-CG2 4.22Å; I363-V422 HydrophobicContact CD1-CG2 3.72Å; V381-V422 HydrophobicContact CB-CG2 4.37Å; V381-V422 HydrophobicContact CG1-CG1 4.22Å; V381-V422 HydrophobicContact CG1-CG2 4.44Å; V422-I424 HydrophobicContact CG1-CG2 4.01Å; V422-F459 WeakPolarHBondContact O-CA 3.3Å; V422-I460 HydrophobicContact CB-CB 4.23Å; V422-I460 HydrophobicContact CB-CG1 4.24Å; V422-I460 HydrophobicContact CG1-CG1 4.28Å; V422-I460 PolarHBondContact O-N 2.94Å
423	H	96.1	Very high	92.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.8	-177.5	-165.8	-156	0	0	0	110.4	V381 L383 M413 T457 F458 F459	V381-H423 WeakPolarHBondContact O-CB 3.46Å; V381-H423 PolarHBondContact O-N 3.36Å; L383-H423 PolarHBondContact N-O 2.94Å; M413-H423 HydrophobicContact CE-CB 4.35Å; M413-H423 VanDerWaalsContact CE-CE1 3.44Å; M413-H423 WeakPolarHBondContact CE-CE1 3.39Å; M413-H423 WeakPolarHBondContact CE-ND1 3.38Å; M413-H423 PolarHBondContact O-ND1 3.47Å; H423-T457 WeakPolarHBondContact NE2-CB 3.49Å; H423-F458 PolarHBondContact CD2-O 2.72Å; H423-F459 HydrophobicContact CB-CD1 3.88Å; H423-F459 HydrophobicContact CB-CE1 3.61Å; H423-F459 AromaticContact CD2-CD1 3.85Å; H423-F459 AromaticContact CD2-CE1 3.49Å; H423-F459 VanDerWaalsContact CD2-CE1 3.49Å; H423-F459 WeakPolarHBondContact CD2-CE1 3.31Å; H423-F459 AromaticContact CD2-CZ 3.88Å; H423-F459 AromaticContact CG-CE1 3.57Å
424	I	96.5	Very high	91.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153.9	-173.9	70	164.3	0	0	0	112.1	L383 M413 V422 T428 L429 L432 V438 T457 F458 I460	L383-I424 HydrophobicContact CB-CG2 4.18Å; L383-I424 WeakPolarHBondContact O-CA 3.45Å; M413-I424 VanDerWaalsContact CE-O 3.28Å; M413-I424 WeakPolarHBondContact CE-O 3.35Å; V422-I424 HydrophobicContact CG1-CG2 4.01Å; I424-T428 HydrophobicContact CB-CG2 4.15Å; I424-T428 HydrophobicContact CD1-CG2 4.47Å; I424-T428 HydrophobicContact CG2-CG2 4.26Å; I424-L429 HydrophobicContact CD1-CB 4.06Å; I424-L429 HydrophobicContact CD1-CD1 4.25Å; I424-L432 HydrophobicContact CD1-CD1 3.94Å; I424-V438 HydrophobicContact CD1-CG1 4.39Å; I424-T457 WeakPolarHBondContact O-CA 3.29Å; I424-F458 HydrophobicContact CD1-CB 4.36Å; I424-F458 HydrophobicContact CG1-CB 3.85Å; I424-F458 WeakPolarHBondContact CG1-O 3.24Å; I424-F458 PolarHBondContact N-O 3.2Å; I424-F458 PolarHBondContact O-N 3.17Å; I424-I460 HydrophobicContact CD1-CD1 3.59Å; I424-I460 HydrophobicContact CD1-CG1 4.34Å; I424-I460 HydrophobicContact CG1-CD1 4.36Å; I424-I460 HydrophobicContact CG2-CD1 4.37Å; I424-I460 HydrophobicContact CG2-CG1 4.04Å
425	T	95.3	Very high	91.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	164.3	172.7	61.7	0	0	0	0	111.6	H384 L409 M413 S427 T428 L429	H384-T425 HydrophobicContact CB-CG2 4.19Å; H384-T425 WeakPolarHBondContact ND1-CG2 3.37Å; H384-T425 PolarHBondContact ND1-OG1 3.42Å; L409-T425 HydrophobicContact CD2-CG2 4.32Å; L409-T425 HydrophobicContact CG-CG2 4.37Å; M413-T425 HydrophobicContact CE-CG2 3.79Å; M413-T425 HydrophobicContact CG-CG2 3.65Å; M413-T425 HydrophobicContact SD-CG2 3.65Å; T425-S427 VanDerWaalsContact C-N 3.28Å; T425-S427 PolarHBondContact O-N 2.66Å; T425-T428 PolarHBondContact O-N 3.27Å; T425-L429 PolarHBondContact O-N 2.89Å; T425-L429 VanDerWaalsContact O-N 3.12Å
426	R	93.3	Very high	91.6	Very high	127 Å²	127	45.8 Å²	45.8	48%	0.479	26%	0.257	S	S	.	.	H	α-helix	trans	-50.4	-44.4	170.9	-178.3	177.4	-80.3	172.9	-10.3	113.1	T428 L429 E430 E456 F458	R426-T428 VanDerWaalsContact C-N 3.26Å; R426-T428 PolarHBondContact O-N 2.94Å; R426-L429 WeakPolarHBondContact O-CB 3.19Å; R426-L429 PolarHBondContact O-N 3.5Å; R426-E430 PolarHBondContact O-N 3.28Å; R426-E456 IonicContact CZ-OE1 3.95Å; R426-E456 IonicContact CZ-OE2 2.91Å; R426-E456 PolarHBondContact N-O 2.84Å; R426-E456 IonicContact NE-OE2 2.65Å; R426-E456 PolarHBondContact NE-OE2 3.03Å; R426-E456 IonicContact NH2-OE1 2.96Å; R426-E456 PolarHBondContact NH2-OE1 2.77Å; R426-E456 IonicContact NH2-OE2 2.62Å; R426-E456 PolarHBondContact NH2-OE2 3.12Å; R426-F458 HydrophobicContact CB-CE2 4.16Å
427	S	93.2	Very high	91.8	Very high	53 Å²	53	52.2 Å²	52.2	37%	0.371	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-35.1	178.7	-44.6	0	0	0	0	113.4	T425 C431	T425-S427 VanDerWaalsContact C-N 3.28Å; T425-S427 PolarHBondContact O-N 2.66Å; S427-C431 PolarHBondContact O-SG 3.45Å; S427-C431 VanDerWaalsContact O-SG 3.34Å
428	T	94.6	Very high	92	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71.6	-43.4	174.5	-60.2	0	0	0	0	110.5	A352 L383 H384 T385 I424 T425 R426 E430 C431 L432	A352-T428 HydrophobicContact CB-CG2 4.43Å; L383-T428 HydrophobicContact CD2-CG2 3.38Å; L383-T428 WeakPolarHBondContact CD2-OG1 3.41Å; H384-T428 WeakPolarHBondContact CA-OG1 3.26Å; T385-T428 PolarHBondContact N-OG1 3.13Å; T385-T428 VanDerWaalsContact N-OG1 3.13Å; T385-T428 PolarHBondContact OG1-OG1 2.98Å; I424-T428 HydrophobicContact CB-CG2 4.15Å; I424-T428 HydrophobicContact CD1-CG2 4.47Å; I424-T428 HydrophobicContact CG2-CG2 4.26Å; T425-T428 PolarHBondContact O-N 3.27Å; R426-T428 VanDerWaalsContact C-N 3.26Å; R426-T428 PolarHBondContact O-N 2.94Å; T428-E430 VanDerWaalsContact C-N 3.28Å; T428-E430 PolarHBondContact O-N 3.3Å; T428-C431 WeakPolarHBondContact O-CA 3.43Å; T428-C431 WeakPolarHBondContact O-CB 3.49Å; T428-C431 PolarHBondContact O-N 3.48Å; T428-L432 HydrophobicContact CG2-CD1 4.21Å; T428-L432 HydrophobicContact CG2-CG 4.39Å; T428-L432 WeakPolarHBondContact O-CG 3.4Å; T428-L432 PolarHBondContact O-N 3.21Å
429	L	94.3	Very high	92.1	Very high	41 Å²	41	54.3 Å²	54.3	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-42.5	179.5	-178.7	61.9	0	0	0	112	I424 T425 R426 C431 L432 V438 F458	I424-L429 HydrophobicContact CD1-CB 4.06Å; I424-L429 HydrophobicContact CD1-CD1 4.25Å; T425-L429 PolarHBondContact O-N 2.89Å; T425-L429 VanDerWaalsContact O-N 3.12Å; R426-L429 WeakPolarHBondContact O-CB 3.19Å; R426-L429 PolarHBondContact O-N 3.5Å; L429-C431 VanDerWaalsContact C-N 3.28Å; L429-C431 PolarHBondContact O-N 3.02Å; L429-L432 PolarHBondContact O-N 3.42Å; L429-L432 VanDerWaalsContact O-N 3.08Å; L429-V438 HydrophobicContact CD1-CB 4.48Å; L429-V438 HydrophobicContact CD1-CG1 3.77Å; L429-V438 HydrophobicContact CD1-CG2 3.96Å; L429-V438 HydrophobicContact CD2-CG2 4.21Å; L429-F458 HydrophobicContact CB-CD2 4.5Å; L429-F458 HydrophobicContact CD2-CD1 4.24Å; L429-F458 HydrophobicContact CD2-CD2 3.85Å; L429-F458 HydrophobicContact CD2-CE1 4.05Å; L429-F458 HydrophobicContact CD2-CE2 3.65Å; L429-F458 HydrophobicContact CD2-CG 4.13Å; L429-F458 HydrophobicContact CD2-CZ 3.73Å
430	E	92.9	Very high	92.2	Very high	131 Å²	131	56.3 Å²	56.3	61%	0.612	31%	0.31	S	S	*	.	H	α-helix	trans	-59.5	-38.2	175.5	-70.6	171.5	-174.3	0	0	112.1	R426 T428 L432	R426-E430 PolarHBondContact O-N 3.28Å; T428-E430 VanDerWaalsContact C-N 3.28Å; T428-E430 PolarHBondContact O-N 3.3Å; E430-L432 VanDerWaalsContact C-N 3.29Å; E430-L432 PolarHBondContact O-N 3.36Å
431	C	91.6	Very high	92.1	Very high	43 Å²	43	55 Å²	55	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-75.3	-11.4	176.8	-62.3	0	0	0	0	114.6	A352 S427 T428 L429	A352-C431 HydrophobicContact CB-CB 3.71Å; S427-C431 PolarHBondContact O-SG 3.45Å; S427-C431 VanDerWaalsContact O-SG 3.34Å; T428-C431 WeakPolarHBondContact O-CA 3.43Å; T428-C431 WeakPolarHBondContact O-CB 3.49Å; T428-C431 PolarHBondContact O-N 3.48Å; L429-C431 VanDerWaalsContact C-N 3.28Å; L429-C431 PolarHBondContact O-N 3.02Å
432	L	91	Very high	91.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.1	178.8	-64.9	173.1	0	0	0	113.2	A352 H353 V356 I424 T428 L429 E430 G434 D435 Y436 I460	A352-L432 HydrophobicContact CB-CD2 3.89Å; A352-L432 HydrophobicContact CB-CG 4.48Å; H353-L432 PolarHBondContact CE1-O 3.26Å; V356-L432 HydrophobicContact CG2-CD1 3.95Å; V356-L432 HydrophobicContact CG2-CD2 3.86Å; I424-L432 HydrophobicContact CD1-CD1 3.94Å; T428-L432 HydrophobicContact CG2-CD1 4.21Å; T428-L432 HydrophobicContact CG2-CG 4.39Å; T428-L432 WeakPolarHBondContact O-CG 3.4Å; T428-L432 PolarHBondContact O-N 3.21Å; L429-L432 PolarHBondContact O-N 3.42Å; L429-L432 VanDerWaalsContact O-N 3.08Å; E430-L432 VanDerWaalsContact C-N 3.29Å; E430-L432 PolarHBondContact O-N 3.36Å; L432-G434 PolarHBondContact O-N 2.92Å; L432-D435 PolarHBondContact O-N 3.48Å; L432-D435 VanDerWaalsContact O-N 3.09Å; L432-Y436 HydrophobicContact CB-CD2 4.16Å; L432-Y436 HydrophobicContact CD1-CD2 4.1Å; L432-Y436 HydrophobicContact CD2-CD2 4.06Å; L432-Y436 HydrophobicContact CD2-CE2 3.84Å; L432-Y436 HydrophobicContact CG-CD2 4.32Å; L432-I460 HydrophobicContact CD1-CD1 3.95Å
433	N	87.3	Confident	91.4	Very high	131 Å²	131	54.7 Å²	54.7	70%	0.701	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	23.6	174.6	-59.8	-50.1	0	0	0	116.1
434	G	84.9	Confident	90.8	Very high	63 Å²	63	58.6 Å²	58.6	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	11.7	179.2	0	0	0	0	0	115.6	L432 Y436	L432-G434 PolarHBondContact O-N 2.92Å; G434-Y436 PolarHBondContact O-N 3.02Å
435	D	86.9	Confident	90.4	Very high	112 Å²	112	65.1 Å²	65.1	60%	0.599	35%	0.347	S	S	*	.			trans	-74.3	-11.9	-178.3	-71.5	-19.8	0	0	0	114.1	H353 L432	H353-D435 IonicContact CE1-OD2 2.77Å; H353-D435 PolarHBondContact CE1-OD2 3Å; H353-D435 IonicContact ND1-OD2 3.15Å; L432-D435 PolarHBondContact O-N 3.48Å; L432-D435 VanDerWaalsContact O-N 3.09Å
436	Y	89.5	Confident	90	Very high	35 Å²	35	69.4 Å²	69.4	14%	0.137	36%	0.363	C	S	.	.	S	Bend	trans	-121.9	140.6	179.7	-60.9	-92	0	0	0	111.2	H353 V356 E357 L432 G434 I460	H353-Y436 AromaticContact ND1-CE2 3.52Å; V356-Y436 HydrophobicContact CG1-CD1 4.16Å; V356-Y436 HydrophobicContact CG1-CE1 3.82Å; V356-Y436 HydrophobicContact CG1-CE2 4.39Å; E357-Y436 WeakPolarHBondContact OE1-CE1 3.44Å; E357-Y436 PolarHBondContact OE1-OH 3.35Å; E357-Y436 VanDerWaalsContact OE1-OH 3.05Å; L432-Y436 HydrophobicContact CB-CD2 4.16Å; L432-Y436 HydrophobicContact CD1-CD2 4.1Å; L432-Y436 HydrophobicContact CD2-CD2 4.06Å; L432-Y436 HydrophobicContact CD2-CE2 3.84Å; L432-Y436 HydrophobicContact CG-CD2 4.32Å; G434-Y436 PolarHBondContact O-N 3.02Å; Y436-I460 HydrophobicContact CD1-CG2 4.13Å; Y436-I460 HydrophobicContact CG-CD1 4.44Å
437	E	90.8	Very high	89.7	Confident	136 Å²	136	64.7 Å²	64.7	64%	0.636	35%	0.347	S	S	*	.			trans	-75	135.8	168.3	-174.3	175.5	-173.7	0	0	109.3	V461	E437-V461 HydrophobicContact CB-CB 4.13Å; E437-V461 HydrophobicContact CG-CB 4.14Å; E437-V461 HydrophobicContact CG-CG2 4.3Å; E437-V461 WeakPolarHBondContact O-CB 3.28Å; E437-V461 PolarHBondContact O-N 2.97Å
438	V	93	Very high	89.3	Confident	45 Å²	45	65.7 Å²	65.7	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.6	-177.1	-58.4	0	0	0	0	111.9	I424 L429 F458 F459 I460	I424-V438 HydrophobicContact CD1-CG1 4.39Å; L429-V438 HydrophobicContact CD1-CB 4.48Å; L429-V438 HydrophobicContact CD1-CG1 3.77Å; L429-V438 HydrophobicContact CD1-CG2 3.96Å; L429-V438 HydrophobicContact CD2-CG2 4.21Å; V438-F458 HydrophobicContact CB-CB 4.23Å; V438-F458 HydrophobicContact CG2-CD1 4.06Å; V438-F459 CarbonylContact C-O 3.48Å; V438-F459 VanDerWaalsContact CA-O 3.24Å; V438-F459 WeakPolarHBondContact CA-O 3.33Å; V438-I460 HydrophobicContact CG1-CD1 3.67Å
439	E	93.9	Very high	88.8	Confident	64 Å²	64	67.8 Å²	67.8	30%	0.299	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	154.2	172.9	63.6	179.2	179.2	0	0	110.6	K421 G441 F458 F459 V461	K421-E439 WeakPolarHBondContact CD-OE1 3.49Å; K421-E439 WeakPolarHBondContact CE-OE1 3.38Å; K421-E439 IonicContact NZ-OE1 2.66Å; K421-E439 PolarHBondContact NZ-OE1 3.22Å; K421-E439 IonicContact NZ-OE2 3.78Å; E439-G441 PolarHBondContact O-N 2.95Å; E439-F458 CarbonylContact O-C 3.53Å; E439-F458 VanDerWaalsContact O-CA 3.27Å; E439-F458 WeakPolarHBondContact O-CA 3.36Å; E439-F459 HydrophobicContact CG-CB 3.64Å; E439-F459 HydrophobicContact CG-CD2 4.28Å; E439-F459 HydrophobicContact CG-CG 4.47Å; E439-F459 PolarHBondContact N-O 3.38Å; E439-F459 PolarHBondContact O-N 3.46Å; E439-F459 WeakPolarHBondContact OE1-CB 3.47Å; E439-V461 HydrophobicContact CB-CG2 4.15Å; E439-V461 HydrophobicContact CG-CG2 4.16Å
440	P	92.8	Very high	88.5	Confident	95 Å²	95	65.8 Å²	65.8	62%	0.617	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	130.3	175.8	-22.8	33.4	0	0	0	112
441	G	87.6	Confident	88.2	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.01	36%	0.356	C	S	.	.			trans	-81.9	-28.2	-177	0	0	0	0	0	114	E439 G443 R446 T457 F459	E439-G441 PolarHBondContact O-N 2.95Å; G441-G443 PolarHBondContact O-N 2.95Å; G441-R446 VanDerWaalsContact O-CZ 3.24Å; G441-R446 PolarHBondContact O-NH1 3.11Å; G441-R446 PolarHBondContact O-NH2 3.26Å; G441-T457 WeakPolarHBondContact CA-O 3.26Å; G441-T457 PolarHBondContact N-O 3.41Å; G441-F459 WeakPolarHBondContact O-CE2 3.49Å
442	N	89.4	Confident	87.9	Confident	69 Å²	69	70.7 Å²	70.7	37%	0.369	37%	0.374	S	S	.	.			trans	46.1	40.4	-173.9	-61.2	-13.8	0	0	0	113.3	H444 E445 R446	N442-H444 PolarHBondContact O-N 2.58Å; N442-E445 HydrophobicContact CB-CG 4.47Å; N442-E445 PolarHBondContact O-N 2.84Å; N442-R446 PolarHBondContact O-NH1 2.69Å
443	G	83.6	Confident	87.6	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-59.7	-26.7	-176.6	0	0	0	0	0	114.4	G441 E445 R446 N447 T457	G441-G443 PolarHBondContact O-N 2.95Å; G443-E445 PolarHBondContact O-N 3.36Å; G443-R446 PolarHBondContact O-N 2.92Å; G443-R446 VanDerWaalsContact O-N 3.08Å; G443-N447 PolarHBondContact O-N 2.94Å; G443-N447 VanDerWaalsContact O-N 3.08Å; G443-T457 PolarHBondContact N-OG1 3.17Å
444	H	85.1	Confident	87.6	Confident	82 Å²	82	77.5 Å²	77.5	38%	0.38	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-61.7	-24.2	177.5	61.6	-91.2	0	0	0	113.8	N442 R446 Q451	N442-H444 PolarHBondContact O-N 2.58Å; H444-R446 VanDerWaalsContact C-N 3.35Å; H444-Q451 HydrophobicContact CB-CB 4.15Å; H444-Q451 HydrophobicContact CB-CG 4.33Å; H444-Q451 WeakPolarHBondContact O-CB 3.35Å
445	E	87.5	Confident	87.8	Confident	137 Å²	137	76.3 Å²	76.3	64%	0.64	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-77.9	-23	176.6	-61.5	179.5	172	0	0	112.6	N442 G443	N442-E445 HydrophobicContact CB-CG 4.47Å; N442-E445 PolarHBondContact O-N 2.84Å; G443-E445 PolarHBondContact O-N 3.36Å
446	R	87.4	Confident	88	Confident	91 Å²	91	74.9 Å²	74.9	34%	0.343	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-16.2	-169.7	-63	-172.6	-58.6	-78.3	-3.7	113.8	G416 G441 N442 G443 H444	G416-R446 PolarHBondContact O-NE 3.39Å; G416-R446 PolarHBondContact O-NH2 2.82Å; G441-R446 VanDerWaalsContact O-CZ 3.24Å; G441-R446 PolarHBondContact O-NH1 3.11Å; G441-R446 PolarHBondContact O-NH2 3.26Å; N442-R446 PolarHBondContact O-NH1 2.69Å; G443-R446 PolarHBondContact O-N 2.92Å; G443-R446 VanDerWaalsContact O-N 3.08Å; H444-R446 VanDerWaalsContact C-N 3.35Å
447	N	86.5	Confident	88.2	Confident	28 Å²	28	73.5 Å²	73.5	15%	0.15	37%	0.365	C	S	.	.			trans	-141.8	123.7	-178.6	-170.9	-73.5	0	0	0	111.7	V412 G443 F449 L450 Q451	V412-N447 WeakPolarHBondContact CG1-OD1 3.45Å; G443-N447 PolarHBondContact O-N 2.94Å; G443-N447 VanDerWaalsContact O-N 3.08Å; N447-F449 VanDerWaalsContact C-N 3.28Å; N447-F449 PolarHBondContact O-N 3.14Å; N447-F449 WeakPolarHBondContact OD1-CA 3.38Å; N447-F449 WeakPolarHBondContact OD1-CB 3.45Å; N447-F449 PolarHBondContact OD1-N 3.43Å; N447-L450 HydrophobicContact CB-CB 4.33Å; N447-L450 HydrophobicContact CB-CD1 3.97Å; N447-L450 HydrophobicContact CB-CG 4.01Å; N447-L450 PolarHBondContact O-N 3.31Å; N447-L450 PolarHBondContact OD1-N 3.19Å; N447-Q451 PolarHBondContact O-N 3.09Å; N447-Q451 VanDerWaalsContact O-N 3.11Å
448	A	84.4	Confident	88.5	Confident	75 Å²	75	68.4 Å²	68.4	62%	0.62	34%	0.341	S	S	*	.	H	α-helix	trans	-62.5	-32	-177.5	0	0	0	0	0	113.3	Q451 K452	A448-Q451 PolarHBondContact O-N 3.14Å; A448-K452 VanDerWaalsContact O-CB 3.32Å; A448-K452 WeakPolarHBondContact O-CB 3.47Å; A448-K452 PolarHBondContact O-N 3.44Å
449	F	83.7	Confident	88.6	Confident	43 Å²	43	66.5 Å²	66.5	19%	0.189	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-44.3	177.2	-177	-88.6	0	0	0	111.7	L409 V412 N447 Q451 K452 H453 I455 I1147	L409-F449 HydrophobicContact CD1-CE1 4.27Å; V412-F449 HydrophobicContact CB-CD1 4.41Å; V412-F449 HydrophobicContact CG1-CB 4.12Å; V412-F449 HydrophobicContact CG1-CD1 3.93Å; V412-F449 HydrophobicContact CG1-CG 4.37Å; V412-F449 HydrophobicContact CG2-CB 4.49Å; V412-F449 HydrophobicContact CG2-CD1 4.14Å; V412-F449 HydrophobicContact CG2-CG 4.31Å; N447-F449 VanDerWaalsContact C-N 3.28Å; N447-F449 PolarHBondContact O-N 3.14Å; N447-F449 WeakPolarHBondContact OD1-CA 3.38Å; N447-F449 WeakPolarHBondContact OD1-CB 3.45Å; N447-F449 PolarHBondContact OD1-N 3.43Å; F449-Q451 VanDerWaalsContact C-N 3.29Å; F449-Q451 PolarHBondContact O-N 3.02Å; F449-K452 PolarHBondContact O-N 3.39Å; F449-H453 AromaticContact CD1-ND1 3.92Å; F449-H453 AromaticContact CD2-CE1 3.51Å; F449-H453 AromaticContact CD2-ND1 3.69Å; F449-H453 AromaticContact CE1-ND1 3.85Å; F449-H453 AromaticContact CE2-CE1 3.2Å; F449-H453 WeakPolarHBondContact CE2-CE1 3.27Å; F449-H453 AromaticContact CE2-ND1 3.64Å; F449-H453 AromaticContact CE2-NE2 3.96Å; F449-H453 AromaticContact CG-ND1 3.86Å; F449-H453 AromaticContact CZ-CE1 3.58Å; F449-H453 AromaticContact CZ-ND1 3.71Å; F449-H453 PolarHBondContact O-N 2.95Å; F449-H453 VanDerWaalsContact O-N 3.15Å; F449-H453 PolarHBondContact O-ND1 3.42Å; F449-I455 HydrophobicContact CE1-CD1 4.22Å; F449-I1147 HydrophobicContact CD2-CD1 3.46Å; F449-I1147 VanDerWaalsContact CD2-CD1 3.46Å; F449-I1147 HydrophobicContact CD2-CG1 3.93Å; F449-I1147 HydrophobicContact CD2-CG2 4.25Å; F449-I1147 HydrophobicContact CE2-CD1 3.94Å
450	L	87.8	Confident	88.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-36.5	177.3	-61.8	-179.6	0	0	0	111.5	L409 V412 M413 N447 E454 I455 T457	L409-L450 HydrophobicContact CD1-CD2 3.93Å; V412-L450 HydrophobicContact CG1-CD1 4.33Å; V412-L450 HydrophobicContact CG1-CD2 3.7Å; V412-L450 HydrophobicContact CG1-CG 3.7Å; M413-L450 HydrophobicContact SD-CD1 4.1Å; M413-L450 HydrophobicContact SD-CD2 3.93Å; N447-L450 HydrophobicContact CB-CB 4.33Å; N447-L450 HydrophobicContact CB-CD1 3.97Å; N447-L450 HydrophobicContact CB-CG 4.01Å; N447-L450 PolarHBondContact O-N 3.31Å; N447-L450 PolarHBondContact OD1-N 3.19Å; L450-E454 PolarHBondContact O-N 2.95Å; L450-I455 HydrophobicContact CD2-CB 4.14Å; L450-I455 HydrophobicContact CD2-CD1 4.08Å; L450-I455 HydrophobicContact CD2-CG2 4.31Å; L450-I455 PolarHBondContact O-N 3.4Å; L450-I455 VanDerWaalsContact O-N 3.1Å; L450-T457 HydrophobicContact CD1-CG2 4.31Å
451	Q	86.6	Confident	88.4	Confident	122 Å²	122	61 Å²	61	57%	0.57	30%	0.297	S	S	*	.	H	α-helix	trans	-66	-50.1	174.9	-168.2	-179.9	20.2	0	0	111.8	H444 N447 A448 F449 H453 E454	H444-Q451 HydrophobicContact CB-CB 4.15Å; H444-Q451 HydrophobicContact CB-CG 4.33Å; H444-Q451 WeakPolarHBondContact O-CB 3.35Å; N447-Q451 PolarHBondContact O-N 3.09Å; N447-Q451 VanDerWaalsContact O-N 3.11Å; A448-Q451 PolarHBondContact O-N 3.14Å; F449-Q451 VanDerWaalsContact C-N 3.29Å; F449-Q451 PolarHBondContact O-N 3.02Å; Q451-H453 VanDerWaalsContact C-N 3.27Å; Q451-H453 PolarHBondContact O-N 3.43Å; Q451-E454 PolarHBondContact O-N 3.31Å
452	K	86.1	Confident	88	Confident	155 Å²	155	64.3 Å²	64.3	67%	0.674	32%	0.319	S	S	*	.	H	α-helix	trans	-61.1	-34	-177.7	-177.8	176.5	178.3	179.1	0	113.1	A448 F449	A448-K452 VanDerWaalsContact O-CB 3.32Å; A448-K452 WeakPolarHBondContact O-CB 3.47Å; A448-K452 PolarHBondContact O-N 3.44Å; F449-K452 PolarHBondContact O-N 3.39Å
453	H	84.6	Confident	86.8	Confident	97 Å²	97	64.9 Å²	64.9	45%	0.449	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	7.7	-178.4	-61.8	85.9	0	0	0	113.3	F449 Q451 I455	F449-H453 AromaticContact CD1-ND1 3.92Å; F449-H453 AromaticContact CD2-CE1 3.51Å; F449-H453 AromaticContact CD2-ND1 3.69Å; F449-H453 AromaticContact CE1-ND1 3.85Å; F449-H453 AromaticContact CE2-CE1 3.2Å; F449-H453 WeakPolarHBondContact CE2-CE1 3.27Å; F449-H453 AromaticContact CE2-ND1 3.64Å; F449-H453 AromaticContact CE2-NE2 3.96Å; F449-H453 AromaticContact CG-ND1 3.86Å; F449-H453 AromaticContact CZ-CE1 3.58Å; F449-H453 AromaticContact CZ-ND1 3.71Å; F449-H453 PolarHBondContact O-N 2.95Å; F449-H453 VanDerWaalsContact O-N 3.15Å; F449-H453 PolarHBondContact O-ND1 3.42Å; Q451-H453 VanDerWaalsContact C-N 3.27Å; Q451-H453 PolarHBondContact O-N 3.43Å; H453-I455 HydrophobicContact CB-CD1 3.94Å; H453-I455 HydrophobicContact CB-CG1 3.81Å; H453-I455 PolarHBondContact O-N 3.47Å; H453-I455 VanDerWaalsContact O-N 3.17Å
454	E	87.8	Confident	85.4	Confident	178 Å²	178	73.1 Å²	73.1	83%	0.832	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	40.1	178.7	-59.4	-175.3	166.6	0	0	113.8	L450 Q451 E456	L450-E454 PolarHBondContact O-N 2.95Å; Q451-E454 PolarHBondContact O-N 3.31Å; E454-E456 PolarHBondContact O-N 2.83Å
455	I	88.8	Confident	83.8	Confident	37 Å²	37	77.3 Å²	77.3	19%	0.19	38%	0.379	C	S	.	.			trans	-79.6	119.5	-174.8	-59.3	179.9	0	0	0	110	L409 F449 L450 H453 T457	L409-I455 HydrophobicContact CD1-CD1 3.48Å; L409-I455 VanDerWaalsContact CD1-CD1 3.48Å; L409-I455 HydrophobicContact CD2-CD1 4.16Å; L409-I455 HydrophobicContact CG-CD1 4.5Å; F449-I455 HydrophobicContact CE1-CD1 4.22Å; L450-I455 HydrophobicContact CD2-CB 4.14Å; L450-I455 HydrophobicContact CD2-CD1 4.08Å; L450-I455 HydrophobicContact CD2-CG2 4.31Å; L450-I455 PolarHBondContact O-N 3.4Å; L450-I455 VanDerWaalsContact O-N 3.1Å; H453-I455 HydrophobicContact CB-CD1 3.94Å; H453-I455 HydrophobicContact CB-CG1 3.81Å; H453-I455 PolarHBondContact O-N 3.47Å; H453-I455 VanDerWaalsContact O-N 3.17Å; I455-T457 HydrophobicContact CG2-CG2 4.17Å
456	E	91.4	Very high	82	Confident	83 Å²	83	80 Å²	80	39%	0.388	38%	0.383	S	S	.	.			trans	-77	134.9	173	-162.5	-166.8	-126.4	0	0	111.4	R426 E454 F458	R426-E456 IonicContact CZ-OE1 3.95Å; R426-E456 IonicContact CZ-OE2 2.91Å; R426-E456 PolarHBondContact N-O 2.84Å; R426-E456 IonicContact NE-OE2 2.65Å; R426-E456 PolarHBondContact NE-OE2 3.03Å; R426-E456 IonicContact NH2-OE1 2.96Å; R426-E456 PolarHBondContact NH2-OE1 2.77Å; R426-E456 IonicContact NH2-OE2 2.62Å; R426-E456 PolarHBondContact NH2-OE2 3.12Å; E454-E456 PolarHBondContact O-N 2.83Å; E456-F458 VanDerWaalsContact CD-CZ 3.4Å; E456-F458 HydrophobicContact CG-CE2 4.08Å; E456-F458 HydrophobicContact CG-CZ 3.99Å; E456-F458 VanDerWaalsContact OE2-CE2 3.29Å; E456-F458 WeakPolarHBondContact OE2-CE2 3.43Å; E456-F458 WeakPolarHBondContact OE2-CZ 3.03Å
457	T	94.6	Very high	79.9	Confident	6 Å²	6	84.4 Å²	84.4	4%	0.037	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.6	-169.3	52.2	0	0	0	0	111.7	M413 H423 I424 G441 G443 L450 I455	M413-T457 HydrophobicContact CE-CG2 3.58Å; M413-T457 HydrophobicContact SD-CG2 3.52Å; M413-T457 VanDerWaalsContact SD-CG2 3.52Å; H423-T457 WeakPolarHBondContact NE2-CB 3.49Å; I424-T457 WeakPolarHBondContact O-CA 3.29Å; G441-T457 WeakPolarHBondContact CA-O 3.26Å; G441-T457 PolarHBondContact N-O 3.41Å; G443-T457 PolarHBondContact N-OG1 3.17Å; L450-T457 HydrophobicContact CD1-CG2 4.31Å; I455-T457 HydrophobicContact CG2-CG2 4.17Å
458	F	95.9	Very high	78	Confident	29 Å²	29	86.6 Å²	86.6	13%	0.127	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.9	-175	-55.4	-90.3	0	0	0	111.5	H423 I424 R426 L429 V438 E439 E456	H423-F458 PolarHBondContact CD2-O 2.72Å; I424-F458 HydrophobicContact CD1-CB 4.36Å; I424-F458 HydrophobicContact CG1-CB 3.85Å; I424-F458 WeakPolarHBondContact CG1-O 3.24Å; I424-F458 PolarHBondContact N-O 3.2Å; I424-F458 PolarHBondContact O-N 3.17Å; R426-F458 HydrophobicContact CB-CE2 4.16Å; L429-F458 HydrophobicContact CB-CD2 4.5Å; L429-F458 HydrophobicContact CD2-CD1 4.24Å; L429-F458 HydrophobicContact CD2-CD2 3.85Å; L429-F458 HydrophobicContact CD2-CE1 4.05Å; L429-F458 HydrophobicContact CD2-CE2 3.65Å; L429-F458 HydrophobicContact CD2-CG 4.13Å; L429-F458 HydrophobicContact CD2-CZ 3.73Å; V438-F458 HydrophobicContact CB-CB 4.23Å; V438-F458 HydrophobicContact CG2-CD1 4.06Å; E439-F458 CarbonylContact O-C 3.53Å; E439-F458 VanDerWaalsContact O-CA 3.27Å; E439-F458 WeakPolarHBondContact O-CA 3.36Å; E456-F458 VanDerWaalsContact CD-CZ 3.4Å; E456-F458 HydrophobicContact CG-CE2 4.08Å; E456-F458 HydrophobicContact CG-CZ 3.99Å; E456-F458 VanDerWaalsContact OE2-CE2 3.29Å; E456-F458 WeakPolarHBondContact OE2-CE2 3.43Å; E456-F458 WeakPolarHBondContact OE2-CZ 3.03Å
459	F	95.9	Very high	76	Confident	5 Å²	5	86.8 Å²	86.8	2%	0.022	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.8	165.3	-63.8	-70.7	0	0	0	110.8	L418 K421 V422 H423 V438 E439 G441	L418-F459 HydrophobicContact CB-CE1 4.17Å; L418-F459 HydrophobicContact CB-CZ 3.97Å; L418-F459 HydrophobicContact CD1-CE2 3.74Å; L418-F459 HydrophobicContact CD1-CZ 3.7Å; L418-F459 HydrophobicContact CG-CE1 4.35Å; L418-F459 HydrophobicContact CG-CE2 4.23Å; L418-F459 HydrophobicContact CG-CZ 3.66Å; K421-F459 HydrophobicContact CB-CD1 3.71Å; K421-F459 HydrophobicContact CB-CE1 4.19Å; K421-F459 HydrophobicContact CB-CG 4.26Å; K421-F459 HydrophobicContact CD-CB 4.29Å; K421-F459 HydrophobicContact CD-CD1 4.2Å; K421-F459 HydrophobicContact CD-CD2 4.28Å; K421-F459 HydrophobicContact CD-CG 4.02Å; V422-F459 WeakPolarHBondContact O-CA 3.3Å; H423-F459 HydrophobicContact CB-CD1 3.88Å; H423-F459 HydrophobicContact CB-CE1 3.61Å; H423-F459 AromaticContact CD2-CD1 3.85Å; H423-F459 AromaticContact CD2-CE1 3.49Å; H423-F459 VanDerWaalsContact CD2-CE1 3.49Å; H423-F459 WeakPolarHBondContact CD2-CE1 3.31Å; H423-F459 AromaticContact CD2-CZ 3.88Å; H423-F459 AromaticContact CG-CE1 3.57Å; V438-F459 CarbonylContact C-O 3.48Å; V438-F459 VanDerWaalsContact CA-O 3.24Å; V438-F459 WeakPolarHBondContact CA-O 3.33Å; E439-F459 HydrophobicContact CG-CB 3.64Å; E439-F459 HydrophobicContact CG-CD2 4.28Å; E439-F459 HydrophobicContact CG-CG 4.47Å; E439-F459 PolarHBondContact N-O 3.38Å; E439-F459 PolarHBondContact O-N 3.46Å; E439-F459 WeakPolarHBondContact OE1-CB 3.47Å; G441-F459 WeakPolarHBondContact O-CE2 3.49Å
460	I	94.4	Very high	73.7	Confident	3 Å²	3	91 Å²	91	2%	0.015	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.3	170.7	-60.3	-61.6	0	0	0	109.5	V356 V422 I424 L432 Y436 V438	V356-I460 HydrophobicContact CG1-CD1 4.46Å; V356-I460 HydrophobicContact CG1-CG1 4.06Å; V356-I460 HydrophobicContact CG1-CG2 4.29Å; V422-I460 HydrophobicContact CB-CB 4.23Å; V422-I460 HydrophobicContact CB-CG1 4.24Å; V422-I460 HydrophobicContact CG1-CG1 4.28Å; V422-I460 PolarHBondContact O-N 2.94Å; I424-I460 HydrophobicContact CD1-CD1 3.59Å; I424-I460 HydrophobicContact CD1-CG1 4.34Å; I424-I460 HydrophobicContact CG1-CD1 4.36Å; I424-I460 HydrophobicContact CG2-CD1 4.37Å; I424-I460 HydrophobicContact CG2-CG1 4.04Å; L432-I460 HydrophobicContact CD1-CD1 3.95Å; Y436-I460 HydrophobicContact CD1-CG2 4.13Å; Y436-I460 HydrophobicContact CG-CD1 4.44Å; V438-I460 HydrophobicContact CG1-CD1 3.67Å
461	V	88.1	Confident	71.4	Confident	39 Å²	39	94.3 Å²	94.3	24%	0.236	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-88.7	119.3	171.5	-177.2	0	0	0	0	108.5	E437 E439 S463	E437-V461 HydrophobicContact CB-CB 4.13Å; E437-V461 HydrophobicContact CG-CB 4.14Å; E437-V461 HydrophobicContact CG-CG2 4.3Å; E437-V461 WeakPolarHBondContact O-CB 3.28Å; E437-V461 PolarHBondContact O-N 2.97Å; E439-V461 HydrophobicContact CB-CG2 4.15Å; E439-V461 HydrophobicContact CG-CG2 4.16Å; V461-S463 PolarHBondContact O-N 3.46Å
462	P	78.3	Confident	69.1	Low	71 Å²	71	92.2 Å²	92.2	46%	0.461	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-68	117.6	-177	-18.4	30.5	0	0	0	112.1	L360 H464	L360-P462 HydrophobicContact CD2-CG 4.32Å; P462-H464 VanDerWaalsContact C-N 3.32Å; P462-H464 PolarHBondContact O-N 3.43Å
463	S	63.6	Low	66.7	Low	81 Å²	81	91.6 Å²	91.6	57%	0.566	46%	0.463	S	S	*	.	S	Bend	trans	-70.3	-21.7	-173.1	-33.5	0	0	0	0	114.5	V461	V461-S463 PolarHBondContact O-N 3.46Å
464	H	55.4	Low	64.6	Low	173 Å²	173	92 Å²	92	80%	0.801	47%	0.468	S	S	*	.			trans	-170.8	122.4	167.1	-107.4	40.7	0	0	0	108.6	P462 R466	P462-H464 VanDerWaalsContact C-N 3.32Å; P462-H464 PolarHBondContact O-N 3.43Å; H464-R466 PolarHBondContact O-N 3.41Å
465	R	51.7	Low	62.1	Low	171 Å²	171	87.9 Å²	87.9	65%	0.645	46%	0.459	S	S	*	.			trans	-63.5	99.1	170.3	-74.3	-166.3	-170.9	-162.1	0.5	109.1	K467	R465-K467 PolarHBondContact O-N 2.8Å; R465-K467 VanDerWaalsContact O-N 3.1Å
466	R	48.5	Very low	59.6	Low	194 Å²	194	92.7 Å²	92.7	73%	0.732	49%	0.485	S	S	*	.			trans	-70.1	106.9	169.6	-71.4	-179.7	-170.5	155	6.3	106.3	H464 I468	H464-R466 PolarHBondContact O-N 3.41Å; R466-I468 PolarHBondContact O-N 2.76Å
467	K	44.4	Very low	57.2	Low	183 Å²	183	95 Å²	95	80%	0.796	50%	0.499	S	S	*	.			trans	-59	104.5	165.6	-71.3	-174.8	179.3	-176.1	0	107.1	R465 F469	R465-K467 PolarHBondContact O-N 2.8Å; R465-K467 VanDerWaalsContact O-N 3.1Å; K467-F469 PolarHBondContact O-N 3.15Å
468	I	47.3	Very low	54.3	Low	73 Å²	73	103.6 Å²	103.6	37%	0.374	54%	0.536	S	S	.	.	S	Bend	trans	-57.8	-11.6	176.8	-65.6	170.9	0	0	0	111.1	D364 R466	D364-I468 HydrophobicContact CB-CD1 4.14Å; R466-I468 PolarHBondContact O-N 2.76Å
469	F	41.9	Very low	51.5	Low	79 Å²	79	108.3 Å²	108.3	35%	0.346	57%	0.569	S	S	.	*	S	Bend	trans	-116.2	105	169.8	-60.1	-75.8	0	0	0	112.6	K467 G471 M501	K467-F469 PolarHBondContact O-N 3.15Å; F469-G471 PolarHBondContact O-N 3.21Å; F469-G471 VanDerWaalsContact O-N 3.11Å; F469-M501 HydrophobicContact CD1-CE 3.48Å; F469-M501 VanDerWaalsContact CD1-CE 3.48Å; F469-M501 HydrophobicContact CD2-CE 4.05Å; F469-M501 HydrophobicContact CE1-CE 3.39Å; F469-M501 HydrophobicContact CE1-CG 3.95Å; F469-M501 HydrophobicContact CE2-CE 3.97Å; F469-M501 HydrophobicContact CG-CE 3.81Å; F469-M501 HydrophobicContact CZ-CE 3.65Å; F469-M501 HydrophobicContact CZ-CG 4.22Å
470	P	35.3	Very low	48.9	Very low	133 Å²	133	111.8 Å²	111.8	86%	0.864	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	99.1	162.1	28.4	-26.1	0	0	0	108.1
471	G	38.9	Very low	46.7	Very low	68 Å²	68	121 Å²	121	70%	0.701	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	136.1	24	165.5	0	0	0	0	0	119.3	F469 I473	F469-G471 PolarHBondContact O-N 3.21Å; F469-G471 VanDerWaalsContact O-N 3.11Å; G471-I473 PolarHBondContact O-N 3.2Å
472	L	37.5	Very low	44.6	Very low	79 Å²	79	129.4 Å²	129.4	41%	0.414	67%	0.672	S	S	.	*			trans	-90	89.6	164.4	-114.8	86	0	0	0	110.4	L474 M501	L472-L474 VanDerWaalsContact C-N 3.3Å; L472-L474 HydrophobicContact CD2-CB 4.3Å; L472-L474 HydrophobicContact CD2-CD1 4.34Å; L472-L474 PolarHBondContact O-N 2.9Å; L472-M501 HydrophobicContact CD1-CE 4.02Å
473	I	36.3	Very low	43.2	Very low	142 Å²	142	131.2 Å²	131.2	73%	0.728	68%	0.675	S	S	*	*			trans	-78	90.7	154.8	-60.2	175.4	0	0	0	105.4	G471 S475	G471-I473 PolarHBondContact O-N 3.2Å; I473-S475 VanDerWaalsContact CG2-OG 3.24Å; I473-S475 WeakPolarHBondContact CG2-OG 3.36Å
474	L	40	Very low	42.5	Very low	104 Å²	104	135.8 Å²	135.8	55%	0.545	69%	0.685	S	S	.	*			trans	-103.7	41.7	171.1	-154.8	83.1	0	0	0	109.8	L472 I477	L472-L474 VanDerWaalsContact C-N 3.3Å; L472-L474 HydrophobicContact CD2-CB 4.3Å; L472-L474 HydrophobicContact CD2-CD1 4.34Å; L472-L474 PolarHBondContact O-N 2.9Å; L474-I477 HydrophobicContact CD1-CD1 4.06Å
475	S	36.1	Very low	42.1	Very low	92 Å²	92	130.1 Å²	130.1	64%	0.643	66%	0.658	S	S	*	*			trans	-88.2	-11.3	173.7	55.1	0	0	0	0	113.4	I473	I473-S475 VanDerWaalsContact CG2-OG 3.24Å; I473-S475 WeakPolarHBondContact CG2-OG 3.36Å
476	D	35.2	Very low	41.7	Very low	139 Å²	139	130 Å²	130	74%	0.743	66%	0.662	S	S	*	*	S	Bend	trans	-110.7	6.3	-163.8	-67.7	3.7	0	0	0	114.7
477	I	41.4	Very low	41.9	Very low	132 Å²	132	123.6 Å²	123.6	68%	0.677	65%	0.645	S	S	*	*	S	Bend	trans	-100.3	103.6	170.3	-55	179.1	0	0	0	107.6	L474	L474-I477 HydrophobicContact CD1-CD1 4.06Å
478	K	34.4	Very low	42.3	Very low	186 Å²	186	115.9 Å²	115.9	81%	0.809	61%	0.613	S	S	*	*			trans	-52.1	133.6	169.5	-75.2	-178.5	176.8	179.1	0	109	A480	K478-A480 PolarHBondContact O-N 3.14Å
479	P	37.9	Very low	42.3	Very low	127 Å²	127	112.9 Å²	112.9	83%	0.825	60%	0.598	S	S	*	*			trans	-63.3	103.6	179.2	24.9	-32	0	0	0	109
480	A	39.9	Very low	42.6	Very low	78 Å²	78	116.2 Å²	116.2	65%	0.645	61%	0.61	S	S	*	*			trans	-85.9	117.9	176.6	0	0	0	0	0	108.2	K478	K478-A480 PolarHBondContact O-N 3.14Å
481	K	47.8	Very low	43.1	Very low	198 Å²	198	112.8 Å²	112.8	86%	0.861	58%	0.584	S	S	*	*			trans	6	119.8	165.4	-78.4	178.3	172.8	177.6	0	116.3	M483	K481-M483 PolarHBondContact O-N 3.42Å
482	K	44.8	Very low	43.8	Very low	215 Å²	215	110.5 Å²	110.5	94%	0.935	56%	0.556	S	S	*	*			trans	-17.8	97.7	164.5	-80.3	-176.1	173.2	-178.6	0	112.5
483	M	49	Very low	44.3	Very low	108 Å²	108	108.6 Å²	108.6	53%	0.532	55%	0.547	S	S	.	.			trans	-73.2	154.6	174.6	-85.3	-168.4	169	0	0	110.6	K481 T487 V488 L491	K481-M483 PolarHBondContact O-N 3.42Å; M483-T487 HydrophobicContact CE-CG2 4.37Å; M483-T487 HydrophobicContact SD-CG2 3.6Å; M483-V488 HydrophobicContact CB-CG2 4.08Å; M483-L491 HydrophobicContact CE-CD1 4.5Å; M483-L491 HydrophobicContact SD-CD1 3.69Å
484	K	48.6	Very low	44.8	Very low	178 Å²	178	105.8 Å²	105.8	77%	0.774	53%	0.531	S	S	*	.			trans	-66.2	138.3	172	-67.2	-176.6	179.7	-179.2	0	109.1	K486 T487 V488	K484-K486 PolarHBondContact O-N 3.12Å; K484-T487 WeakPolarHBondContact O-CA 3.36Å; K484-T487 VanDerWaalsContact O-CB 3.3Å; K484-T487 WeakPolarHBondContact O-CB 3.41Å; K484-T487 PolarHBondContact O-N 3.31Å; K484-V488 PolarHBondContact O-N 2.97Å
485	F	46.7	Very low	45.1	Very low	53 Å²	53	104.9 Å²	104.9	23%	0.232	53%	0.526	C	S	.	.	H	α-helix	trans	-49.3	-37	-177	-178.9	-101.4	0	0	0	114.4	L299 Q302 T487 V488 C489	L299-F485 HydrophobicContact CD1-CE2 3.43Å; L299-F485 VanDerWaalsContact CD1-CE2 3.43Å; L299-F485 HydrophobicContact CD1-CZ 3.41Å; L299-F485 VanDerWaalsContact CD1-CZ 3.41Å; L299-F485 HydrophobicContact CG-CZ 4.48Å; Q302-F485 HydrophobicContact CB-CD1 3.75Å; Q302-F485 HydrophobicContact CB-CE1 3.45Å; Q302-F485 VanDerWaalsContact CB-CE1 3.45Å; Q302-F485 HydrophobicContact CB-CZ 4.02Å; F485-T487 VanDerWaalsContact C-N 3.26Å; F485-T487 PolarHBondContact O-N 3.05Å; F485-V488 WeakPolarHBondContact O-CB 3.5Å; F485-V488 PolarHBondContact O-N 2.84Å; F485-V488 VanDerWaalsContact O-N 3.1Å; F485-C489 PolarHBondContact O-N 3.39Å
486	K	44.6	Very low	45.6	Very low	169 Å²	169	101.5 Å²	101.5	74%	0.735	50%	0.5	S	S	*	.	H	α-helix	trans	-59.3	-34.1	174.8	-166.4	173.1	-175.1	174.2	0	113.4	K484 Y490	K484-K486 PolarHBondContact O-N 3.12Å; K486-Y490 VanDerWaalsContact O-CB 3.25Å; K486-Y490 WeakPolarHBondContact O-CB 3.16Å; K486-Y490 PolarHBondContact O-N 3.24Å
487	T	52.5	Low	45.8	Very low	59 Å²	59	101.6 Å²	101.6	36%	0.362	50%	0.496	S	S	.	.	H	α-helix	trans	-77.7	-35.2	176.5	-48.4	0	0	0	0	110.9	M483 K484 F485 L491	M483-T487 HydrophobicContact CE-CG2 4.37Å; M483-T487 HydrophobicContact SD-CG2 3.6Å; K484-T487 WeakPolarHBondContact O-CA 3.36Å; K484-T487 VanDerWaalsContact O-CB 3.3Å; K484-T487 WeakPolarHBondContact O-CB 3.41Å; K484-T487 PolarHBondContact O-N 3.31Å; F485-T487 VanDerWaalsContact C-N 3.26Å; F485-T487 PolarHBondContact O-N 3.05Å; T487-L491 HydrophobicContact CG2-CD1 3.99Å; T487-L491 VanDerWaalsContact O-CB 3.23Å; T487-L491 WeakPolarHBondContact O-CB 3.36Å; T487-L491 WeakPolarHBondContact O-CG 3.39Å; T487-L491 PolarHBondContact O-N 2.97Å
488	V	52.2	Low	45.7	Very low	22 Å²	22	100.2 Å²	100.2	13%	0.133	50%	0.497	C	S	.	.	H	α-helix	trans	-65.7	-49.5	175	176.3	0	0	0	0	110.8	T373 V375 M483 K484 F485 Y490 L491 L492	T373-V488 WeakPolarHBondContact O-CG1 3.31Å; V375-V488 HydrophobicContact CG2-CG1 4.46Å; M483-V488 HydrophobicContact CB-CG2 4.08Å; K484-V488 PolarHBondContact O-N 2.97Å; F485-V488 WeakPolarHBondContact O-CB 3.5Å; F485-V488 PolarHBondContact O-N 2.84Å; F485-V488 VanDerWaalsContact O-N 3.1Å; V488-Y490 VanDerWaalsContact C-N 3.33Å; V488-Y490 PolarHBondContact O-N 3.48Å; V488-L491 CarbonylContact O-C 3.6Å; V488-L491 PolarHBondContact O-N 3.45Å; V488-L492 VanDerWaalsContact O-CB 3.28Å; V488-L492 WeakPolarHBondContact O-CB 3.48Å; V488-L492 PolarHBondContact O-N 2.82Å
489	C	46.7	Very low	46	Very low	9 Å²	9	98 Å²	98	6%	0.061	48%	0.483	C	S	.	.	H	α-helix	trans	-63.1	-38.8	178	-146.2	0	0	0	0	111.9	F485 L492 V493	F485-C489 PolarHBondContact O-N 3.39Å; C489-L492 VanDerWaalsContact O-CB 3.3Å; C489-L492 WeakPolarHBondContact O-CB 3.47Å; C489-L492 PolarHBondContact O-N 3.08Å; C489-V493 WeakPolarHBondContact O-CG2 3.35Å; C489-V493 PolarHBondContact O-N 3.22Å; C489-V493 VanDerWaalsContact O-N 3.15Å
490	Y	49.8	Very low	46.1	Very low	149 Å²	149	100.3 Å²	100.3	58%	0.584	48%	0.48	S	S	*	.	H	α-helix	trans	-64.2	-46.2	172.4	-176.8	-97	0	0	0	112	K486 V488 V493 Q494	K486-Y490 VanDerWaalsContact O-CB 3.25Å; K486-Y490 WeakPolarHBondContact O-CB 3.16Å; K486-Y490 PolarHBondContact O-N 3.24Å; V488-Y490 VanDerWaalsContact C-N 3.33Å; V488-Y490 PolarHBondContact O-N 3.48Å; Y490-V493 PolarHBondContact O-N 2.99Å; Y490-Q494 WeakPolarHBondContact O-CB 3.48Å; Y490-Q494 PolarHBondContact O-N 3.47Å
491	L	45.8	Very low	46.1	Very low	61 Å²	61	99.7 Å²	99.7	32%	0.319	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-35.8	175.5	-90.8	157.6	0	0	0	112.6	M483 T487 V488 Q494 L495	M483-L491 HydrophobicContact CE-CD1 4.5Å; M483-L491 HydrophobicContact SD-CD1 3.69Å; T487-L491 HydrophobicContact CG2-CD1 3.99Å; T487-L491 VanDerWaalsContact O-CB 3.23Å; T487-L491 WeakPolarHBondContact O-CB 3.36Å; T487-L491 WeakPolarHBondContact O-CG 3.39Å; T487-L491 PolarHBondContact O-N 2.97Å; V488-L491 CarbonylContact O-C 3.6Å; V488-L491 PolarHBondContact O-N 3.45Å; L491-Q494 CarbonylContact O-C 3.5Å; L491-Q494 PolarHBondContact O-N 2.96Å; L491-L495 HydrophobicContact CB-CD1 4.49Å; L491-L495 HydrophobicContact CD2-CD1 4.45Å; L491-L495 WeakPolarHBondContact O-CB 3.45Å; L491-L495 VanDerWaalsContact O-CG 3.23Å; L491-L495 WeakPolarHBondContact O-CG 3.26Å; L491-L495 PolarHBondContact O-N 3.46Å
492	L	51.6	Low	46	Very low	21 Å²	21	92.5 Å²	92.5	11%	0.11	43%	0.434	C	S	.	.	H	α-helix	trans	-55.6	-57	174.2	-124.6	162.8	0	0	0	110.4	T373 V488 C489 Q494 L495 M496	T373-L492 HydrophobicContact CG2-CD1 3.43Å; T373-L492 VanDerWaalsContact CG2-CD1 3.43Å; T373-L492 HydrophobicContact CG2-CD2 3.22Å; T373-L492 HydrophobicContact CG2-CG 3.24Å; V488-L492 VanDerWaalsContact O-CB 3.28Å; V488-L492 WeakPolarHBondContact O-CB 3.48Å; V488-L492 PolarHBondContact O-N 2.82Å; C489-L492 VanDerWaalsContact O-CB 3.3Å; C489-L492 WeakPolarHBondContact O-CB 3.47Å; C489-L492 PolarHBondContact O-N 3.08Å; L492-Q494 VanDerWaalsContact C-N 3.27Å; L492-Q494 PolarHBondContact O-N 2.81Å; L492-L495 PolarHBondContact O-N 3.39Å; L492-M496 HydrophobicContact CD2-CG 4.37Å; L492-M496 HydrophobicContact CD2-SD 3.58Å; L492-M496 VanDerWaalsContact CD2-SD 3.58Å; L492-M496 VanDerWaalsContact O-CB 3.31Å; L492-M496 WeakPolarHBondContact O-CB 3.19Å; L492-M496 WeakPolarHBondContact O-CG 3.14Å; L492-M496 PolarHBondContact O-N 3.01Å
493	V	49.8	Very low	45.7	Very low	38 Å²	38	89.8 Å²	89.8	23%	0.23	42%	0.422	C	S	.	.	H	α-helix	trans	-61.6	-37.6	177.8	168.3	0	0	0	0	110.7	K310 C489 Y490 H497	K310-V493 HydrophobicContact CD-CG1 4.29Å; K310-V493 HydrophobicContact CD-CG2 4.19Å; C489-V493 WeakPolarHBondContact O-CG2 3.35Å; C489-V493 PolarHBondContact O-N 3.22Å; C489-V493 VanDerWaalsContact O-N 3.15Å; Y490-V493 PolarHBondContact O-N 2.99Å; V493-H497 VanDerWaalsContact O-CB 3.22Å; V493-H497 WeakPolarHBondContact O-CB 3.43Å; V493-H497 PolarHBondContact O-N 3.03Å
494	Q	45.8	Very low	45.4	Very low	84 Å²	84	86.5 Å²	86.5	39%	0.393	41%	0.412	S	S	.	.	H	α-helix	trans	-74.7	-39.7	-179.9	-137.7	173.2	5.2	0	0	113.1	Y490 L491 L492 H497 C498	Y490-Q494 WeakPolarHBondContact O-CB 3.48Å; Y490-Q494 PolarHBondContact O-N 3.47Å; L491-Q494 CarbonylContact O-C 3.5Å; L491-Q494 PolarHBondContact O-N 2.96Å; L492-Q494 VanDerWaalsContact C-N 3.27Å; L492-Q494 PolarHBondContact O-N 2.81Å; Q494-H497 PolarHBondContact O-N 3.15Å; Q494-C498 WeakPolarHBondContact O-CB 3.33Å; Q494-C498 PolarHBondContact O-N 3.21Å; Q494-C498 PolarHBondContact O-SG 3.37Å; Q494-C498 VanDerWaalsContact O-SG 3.33Å
495	L	46.6	Very low	45.3	Very low	84 Å²	84	81.8 Å²	81.8	44%	0.44	39%	0.393	S	S	.	.	H	α-helix	trans	-70.2	-39.5	177.6	-77.2	165.7	0	0	0	111.2	L491 L492 H497 R499	L491-L495 HydrophobicContact CB-CD1 4.49Å; L491-L495 HydrophobicContact CD2-CD1 4.45Å; L491-L495 WeakPolarHBondContact O-CB 3.45Å; L491-L495 VanDerWaalsContact O-CG 3.23Å; L491-L495 WeakPolarHBondContact O-CG 3.26Å; L491-L495 PolarHBondContact O-N 3.46Å; L492-L495 PolarHBondContact O-N 3.39Å; L495-H497 VanDerWaalsContact C-N 3.26Å; L495-H497 PolarHBondContact O-N 3.49Å; L495-R499 PolarHBondContact O-N 2.9Å
496	M	46.3	Very low	45.5	Very low	22 Å²	22	81.5 Å²	81.5	11%	0.108	39%	0.393	C	S	.	.	H	α-helix	trans	-62.2	-35.3	171.4	-69.1	178.8	77.2	0	0	111.4	E314 L492 F502	E314-M496 HydrophobicContact CB-CE 3.7Å; E314-M496 HydrophobicContact CG-CE 4.23Å; E314-M496 WeakPolarHBondContact OE2-CE 3.19Å; L492-M496 HydrophobicContact CD2-CG 4.37Å; L492-M496 HydrophobicContact CD2-SD 3.58Å; L492-M496 VanDerWaalsContact CD2-SD 3.58Å; L492-M496 VanDerWaalsContact O-CB 3.31Å; L492-M496 WeakPolarHBondContact O-CB 3.19Å; L492-M496 WeakPolarHBondContact O-CG 3.14Å; L492-M496 PolarHBondContact O-N 3.01Å; M496-F502 HydrophobicContact CB-CD2 4.45Å; M496-F502 HydrophobicContact CE-CB 3.71Å; M496-F502 HydrophobicContact CE-CD1 4.18Å; M496-F502 HydrophobicContact CE-CD2 3.53Å; M496-F502 HydrophobicContact CE-CE2 4.17Å; M496-F502 HydrophobicContact CE-CG 3.53Å; M496-F502 HydrophobicContact CG-CD2 3.96Å
497	H	39.3	Very low	45.8	Very low	141 Å²	141	73.7 Å²	73.7	65%	0.653	36%	0.359	S	S	*	.	H	α-helix	trans	-81.3	-33.6	179.8	-154.2	-79.4	0	0	0	114.5	V493 Q494 L495	V493-H497 VanDerWaalsContact O-CB 3.22Å; V493-H497 WeakPolarHBondContact O-CB 3.43Å; V493-H497 PolarHBondContact O-N 3.03Å; Q494-H497 PolarHBondContact O-N 3.15Å; L495-H497 VanDerWaalsContact C-N 3.26Å; L495-H497 PolarHBondContact O-N 3.49Å
498	C	39.8	Very low	45.7	Very low	102 Å²	102	71.1 Å²	71.1	69%	0.689	34%	0.343	S	S	*	.	H	α-helix	trans	-78.5	-24.3	-178	-77.2	0	0	0	0	113.9	Q494	Q494-C498 WeakPolarHBondContact O-CB 3.33Å; Q494-C498 PolarHBondContact O-N 3.21Å; Q494-C498 PolarHBondContact O-SG 3.37Å; Q494-C498 VanDerWaalsContact O-SG 3.33Å
499	R	40.7	Very low	45.6	Very low	139 Å²	139	70.9 Å²	70.9	53%	0.525	34%	0.343	S	S	.	.	S	Bend	trans	-101.1	-1.6	-173.2	-83.6	-177.9	138.7	170.8	-4.7	116.4	L495 M501	L495-R499 PolarHBondContact O-N 2.9Å; R499-M501 HydrophobicContact CB-CB 4.16Å; R499-M501 HydrophobicContact CB-SD 4.43Å; R499-M501 PolarHBondContact O-N 2.94Å; R499-M501 VanDerWaalsContact O-N 3.07Å
500	K	40.1	Very low	45.6	Very low	177 Å²	177	74.4 Å²	74.4	77%	0.77	36%	0.361	S	S	*	.	S	Bend	trans	52.7	19.7	-168.8	-65.1	178.9	178.2	170.1	0	113.4
501	M	38.8	Very low	45.5	Very low	64 Å²	64	68.3 Å²	68.3	32%	0.315	34%	0.339	S	S	.	.	S	Bend	trans	-73.6	-31.4	-173.4	-126	169	169.3	0	0	111.7	F469 L472 R499	F469-M501 HydrophobicContact CD1-CE 3.48Å; F469-M501 VanDerWaalsContact CD1-CE 3.48Å; F469-M501 HydrophobicContact CD2-CE 4.05Å; F469-M501 HydrophobicContact CE1-CE 3.39Å; F469-M501 HydrophobicContact CE1-CG 3.95Å; F469-M501 HydrophobicContact CE2-CE 3.97Å; F469-M501 HydrophobicContact CG-CE 3.81Å; F469-M501 HydrophobicContact CZ-CE 3.65Å; F469-M501 HydrophobicContact CZ-CG 4.22Å; L472-M501 HydrophobicContact CD1-CE 4.02Å; R499-M501 HydrophobicContact CB-CB 4.16Å; R499-M501 HydrophobicContact CB-SD 4.43Å; R499-M501 PolarHBondContact O-N 2.94Å; R499-M501 VanDerWaalsContact O-N 3.07Å
502	F	47.3	Very low	45.5	Very low	48 Å²	48	67.4 Å²	67.4	21%	0.211	33%	0.334	C	S	.	.			trans	-132.9	95.7	176.9	-63	-85.3	0	0	0	108.6	K318 V369 M496 A504	K318-F502 HydrophobicContact CB-CD1 4.44Å; K318-F502 HydrophobicContact CB-CE1 4.35Å; K318-F502 HydrophobicContact CD-CD1 4.45Å; K318-F502 HydrophobicContact CD-CE1 4.26Å; K318-F502 HydrophobicContact CG-CE1 4.1Å; V369-F502 HydrophobicContact CG2-CZ 4.38Å; M496-F502 HydrophobicContact CB-CD2 4.45Å; M496-F502 HydrophobicContact CE-CB 3.71Å; M496-F502 HydrophobicContact CE-CD1 4.18Å; M496-F502 HydrophobicContact CE-CD2 3.53Å; M496-F502 HydrophobicContact CE-CE2 4.17Å; M496-F502 HydrophobicContact CE-CG 3.53Å; M496-F502 HydrophobicContact CG-CD2 3.96Å; F502-A504 PolarHBondContact O-N 3.48Å
503	K	38.8	Very low	45.3	Very low	157 Å²	157	70 Å²	70	68%	0.683	35%	0.348	S	S	*	.			trans	-92.1	84.6	159.8	-90	-169.8	172	-168.3	0	106.8	E505	K503-E505 PolarHBondContact O-N 2.87Å; K503-E505 VanDerWaalsContact O-N 3.09Å
504	A	41.7	Very low	45	Very low	39 Å²	39	71.2 Å²	71.2	32%	0.322	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-59.5	117.1	167.7	0	0	0	0	0	107.6	E314 F502	E314-A504 HydrophobicContact CG-CB 4.07Å; F502-A504 PolarHBondContact O-N 3.48Å
505	E	45.6	Very low	44.8	Very low	80 Å²	80	73.2 Å²	73.2	37%	0.374	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-58.8	139.1	166.9	-70.6	-179.4	161.9	0	0	107.1	K503 N510 A994 R995	K503-E505 PolarHBondContact O-N 2.87Å; K503-E505 VanDerWaalsContact O-N 3.09Å; E505-N510 VanDerWaalsContact CD-ND2 3.33Å; E505-N510 PolarHBondContact OE2-ND2 2.91Å; E505-A994 HydrophobicContact CB-CB 3.85Å; E505-A994 WeakPolarHBondContact O-CB 3.36Å; E505-R995 IonicContact OE2-NE 2.97Å; E505-R995 IonicContact OE2-NH2 3.54Å
506	I	52.5	Low	44.3	Very low	47 Å²	47	74.3 Å²	74.3	24%	0.241	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-76.9	143.2	-176.7	-58.1	143.5	0	0	0	107.1	F508 S509 Q860 L862	I506-F508 PolarHBondContact O-N 3.04Å; I506-S509 PolarHBondContact N-OG 3.37Å; I506-S509 VanDerWaalsContact N-OG 3.11Å; I506-S509 PolarHBondContact O-N 3.37Å; I506-S509 PolarHBondContact O-OG 2.65Å; I506-Q860 HydrophobicContact CD1-CB 3.81Å; I506-Q860 VanDerWaalsContact CD1-OE1 3.25Å; I506-L862 HydrophobicContact CG2-CD2 4.24Å
507	P	49.1	Very low	43.6	Very low	4 Å²	4	75.3 Å²	75.3	3%	0.026	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-39.8	118.8	164.4	-32.8	37.2	0	0	0	111.1	S509 L862 V991 G993 P997	P507-S509 VanDerWaalsContact C-N 3.29Å; P507-S509 PolarHBondContact O-N 2.98Å; P507-L862 VanDerWaalsContact CD-CD2 3.44Å; P507-L862 HydrophobicContact CG-CD2 3.88Å; P507-V991 HydrophobicContact CB-CG1 4.32Å; P507-G993 WeakPolarHBondContact CB-O 3.13Å; P507-G993 WeakPolarHBondContact CG-O 3.49Å; P507-P997 HydrophobicContact CB-CB 4.16Å
508	F	52.3	Low	43.5	Very low	5 Å²	5	74.2 Å²	74.2	2%	0.022	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	6	-179	-41.2	-77.7	0	0	0	117.2	L250 I506 N510 V511 M512 L829 F837 V991 A994 P997	L250-F508 HydrophobicContact CD1-CB 4.41Å; L250-F508 HydrophobicContact CD1-CD1 2.92Å; L250-F508 HydrophobicContact CD1-CE1 2.93Å; L250-F508 HydrophobicContact CD1-CG 3.8Å; L250-F508 HydrophobicContact CD1-CZ 3.89Å; L250-F508 HydrophobicContact CG-CD1 4.33Å; L250-F508 HydrophobicContact CG-CE1 4.03Å; I506-F508 PolarHBondContact O-N 3.04Å; F508-N510 VanDerWaalsContact C-N 3.33Å; F508-N510 PolarHBondContact O-N 3.3Å; F508-V511 WeakPolarHBondContact O-CB 3.22Å; F508-V511 PolarHBondContact O-N 3.46Å; F508-V511 VanDerWaalsContact O-N 3.09Å; F508-M512 PolarHBondContact O-N 3.46Å; F508-M512 VanDerWaalsContact O-N 3.12Å; F508-L829 HydrophobicContact CZ-CD1 3.9Å; F508-F837 HydrophobicContact CD2-CB 4.39Å; F508-F837 AromaticContact CD2-CD1 3.52Å; F508-F837 HydrophobicContact CD2-CD1 3.52Å; F508-F837 AromaticContact CD2-CD2 4Å; F508-F837 HydrophobicContact CD2-CD2 4Å; F508-F837 AromaticContact CD2-CE1 3.65Å; F508-F837 HydrophobicContact CD2-CE1 3.65Å; F508-F837 HydrophobicContact CD2-CE2 4.12Å; F508-F837 AromaticContact CD2-CG 3.7Å; F508-F837 HydrophobicContact CD2-CG 3.7Å; F508-F837 AromaticContact CD2-CZ 3.96Å; F508-F837 HydrophobicContact CD2-CZ 3.96Å; F508-F837 AromaticContact CE2-CD1 3.98Å; F508-F837 HydrophobicContact CE2-CD1 3.98Å; F508-F837 AromaticContact CE2-CD2 3.58Å; F508-F837 HydrophobicContact CE2-CD2 3.58Å; F508-F837 AromaticContact CE2-CE1 3.99Å; F508-F837 HydrophobicContact CE2-CE1 3.99Å; F508-F837 AromaticContact CE2-CE2 3.59Å; F508-F837 HydrophobicContact CE2-CE2 3.59Å; F508-F837 AromaticContact CE2-CG 3.78Å; F508-F837 HydrophobicContact CE2-CG 3.78Å; F508-F837 AromaticContact CE2-CZ 3.8Å; F508-F837 HydrophobicContact CE2-CZ 3.8Å; F508-F837 HydrophobicContact CZ-CD2 4.47Å; F508-V991 HydrophobicContact CE2-CG1 4.13Å; F508-A994 PolarHBondContact N-O 3.37Å; F508-P997 HydrophobicContact CD1-CB 4.45Å; F508-P997 HydrophobicContact CD1-CG 3.33Å; F508-P997 HydrophobicContact CD2-CB 4.28Å; F508-P997 HydrophobicContact CD2-CG 3.93Å; F508-P997 HydrophobicContact CE1-CB 3.87Å; F508-P997 HydrophobicContact CE1-CG 2.84Å; F508-P997 HydrophobicContact CE2-CB 3.6Å; F508-P997 HydrophobicContact CE2-CG 3.48Å; F508-P997 VanDerWaalsContact CE2-CG 3.48Å; F508-P997 HydrophobicContact CG-CG 3.91Å; F508-P997 HydrophobicContact CZ-CB 3.43Å; F508-P997 VanDerWaalsContact CZ-CB 3.43Å; F508-P997 HydrophobicContact CZ-CG 2.95Å
509	S	48.7	Very low	43.4	Very low	17 Å²	17	74 Å²	74	12%	0.119	38%	0.375	C	S	.	.	H	α-helix	trans	-62.7	-38.9	179.9	51.5	0	0	0	0	113.3	I506 P507 V511 M512 N513	I506-S509 PolarHBondContact N-OG 3.37Å; I506-S509 VanDerWaalsContact N-OG 3.11Å; I506-S509 PolarHBondContact O-N 3.37Å; I506-S509 PolarHBondContact O-OG 2.65Å; P507-S509 VanDerWaalsContact C-N 3.29Å; P507-S509 PolarHBondContact O-N 2.98Å; S509-V511 PolarHBondContact O-N 3.25Å; S509-M512 PolarHBondContact O-N 3.08Å; S509-N513 WeakPolarHBondContact O-CB 3.3Å; S509-N513 PolarHBondContact O-N 3.46Å
510	N	46.7	Very low	43.2	Very low	83 Å²	83	74.6 Å²	74.6	44%	0.444	38%	0.378	S	S	.	.	H	α-helix	trans	-69	-22.3	179	-64.2	-9.2	0	0	0	111.7	E505 F508 C514	E505-N510 VanDerWaalsContact CD-ND2 3.33Å; E505-N510 PolarHBondContact OE2-ND2 2.91Å; F508-N510 VanDerWaalsContact C-N 3.33Å; F508-N510 PolarHBondContact O-N 3.3Å; N510-C514 PolarHBondContact O-SG 2.81Å; N510-C514 VanDerWaalsContact O-SG 3.38Å
511	V	48.3	Very low	42.9	Very low	22 Å²	22	75.5 Å²	75.5	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-82.3	-32.4	177.6	174.3	0	0	0	0	111.5	R249 F508 S509	R249-V511 HydrophobicContact CB-CG1 3.54Å; F508-V511 WeakPolarHBondContact O-CB 3.22Å; F508-V511 PolarHBondContact O-N 3.46Å; F508-V511 VanDerWaalsContact O-N 3.09Å; S509-V511 PolarHBondContact O-N 3.25Å
512	M	45.9	Very low	42.6	Very low	41 Å²	41	75.6 Å²	75.6	20%	0.202	39%	0.387	C	S	.	.	H	α-helix	trans	-92.7	-28.6	-176.2	-66.7	-63.5	174.7	0	0	114.4	K246 F508 S509 F837	K246-M512 HydrophobicContact CD-SD 3.94Å; K246-M512 HydrophobicContact CG-SD 4.27Å; F508-M512 PolarHBondContact O-N 3.46Å; F508-M512 VanDerWaalsContact O-N 3.12Å; S509-M512 PolarHBondContact O-N 3.08Å; M512-F837 WeakPolarHBondContact CE-O 3.24Å
513	N	46.5	Very low	41.9	Very low	77 Å²	77	80.3 Å²	80.3	41%	0.412	41%	0.411	S	S	.	.			trans	-117	57	-172.9	-73.7	-11.2	0	0	0	113.2	S509 E515 Q860	S509-N513 WeakPolarHBondContact O-CB 3.3Å; S509-N513 PolarHBondContact O-N 3.46Å; N513-E515 VanDerWaalsContact C-N 3.33Å; N513-E515 PolarHBondContact O-N 3.33Å; N513-Q860 PolarHBondContact ND2-NE2 3.43Å
514	C	44.4	Very low	41.7	Very low	62 Å²	62	82.8 Å²	82.8	42%	0.419	42%	0.416	S	S	.	.	H	α-helix	trans	-75.3	-7.5	177.7	-86.2	0	0	0	0	115.8	N510 D516	N510-C514 PolarHBondContact O-SG 2.81Å; N510-C514 VanDerWaalsContact O-SG 3.38Å; C514-D516 PolarHBondContact O-N 3.41Å
515	E	42	Very low	41.3	Very low	126 Å²	126	86.7 Å²	86.7	59%	0.589	44%	0.436	S	S	*	.	H	α-helix	trans	-68.4	-14.1	177.2	-72	-164.9	130.6	0	0	113.6	N513 K519 R843	N513-E515 VanDerWaalsContact C-N 3.33Å; N513-E515 PolarHBondContact O-N 3.33Å; E515-K519 VanDerWaalsContact O-CD 3.31Å; E515-K519 WeakPolarHBondContact O-CD 3.43Å; E515-K519 VanDerWaalsContact O-CE 3.22Å; E515-K519 WeakPolarHBondContact O-CE 3.48Å; E515-K519 PolarHBondContact O-NZ 3.36Å; E515-R843 IonicContact OE2-NH2 2.99Å; E515-R843 PolarHBondContact OE2-NH2 3.48Å
516	D	34.8	Very low	40.4	Very low	107 Å²	107	85.9 Å²	85.9	57%	0.572	44%	0.443	S	S	*	.	H	α-helix	trans	-116.6	-24.6	-172.7	-113.1	0.7	0	0	0	115.1	C514 R520	C514-D516 PolarHBondContact O-N 3.41Å; D516-R520 PolarHBondContact O-N 3.11Å
517	G	31.8	Very low	39.7	Very low	43 Å²	43	88.6 Å²	88.6	44%	0.443	46%	0.464	S	S	.	.	H	α-helix	trans	-72.6	-49.3	-174.6	0	0	0	0	0	114.3	K519 R520 R521	G517-K519 VanDerWaalsContact C-N 3.26Å; G517-K519 PolarHBondContact O-N 3.32Å; G517-R520 PolarHBondContact O-N 3.03Å; G517-R520 VanDerWaalsContact O-N 3.15Å; G517-R521 PolarHBondContact O-N 3.25Å; G517-R521 VanDerWaalsContact O-N 3.12Å
518	D	37.6	Very low	39	Very low	119 Å²	119	96.5 Å²	96.5	64%	0.636	50%	0.501	S	S	*	.	H	α-helix	trans	-65.8	-30.8	178.8	-79.3	-24.5	0	0	0	112.2	R521 A522	D518-R521 PolarHBondContact O-N 3.09Å; D518-A522 VanDerWaalsContact O-CB 3.3Å; D518-A522 WeakPolarHBondContact O-CB 3.25Å; D518-A522 PolarHBondContact O-N 2.83Å
519	K	38.2	Very low	38.1	Very low	97 Å²	97	106.3 Å²	106.3	42%	0.422	54%	0.543	S	S	.	.	H	α-helix	trans	-65.7	-41.1	173.3	-67.5	179.4	-173.8	147.7	0	111.6	E515 G517 M523	E515-K519 VanDerWaalsContact O-CD 3.31Å; E515-K519 WeakPolarHBondContact O-CD 3.43Å; E515-K519 VanDerWaalsContact O-CE 3.22Å; E515-K519 WeakPolarHBondContact O-CE 3.48Å; E515-K519 PolarHBondContact O-NZ 3.36Å; G517-K519 VanDerWaalsContact C-N 3.26Å; G517-K519 PolarHBondContact O-N 3.32Å; K519-M523 WeakPolarHBondContact O-CB 3.38Å; K519-M523 PolarHBondContact O-N 3.31Å
520	R	35.3	Very low	37.2	Very low	152 Å²	152	111.8 Å²	111.8	57%	0.574	57%	0.571	S	S	*	*	H	α-helix	trans	-69	-34.3	177.1	-93.5	-174.3	-173.3	169.3	11	113.3	D516 G517 R524	D516-R520 PolarHBondContact O-N 3.11Å; G517-R520 PolarHBondContact O-N 3.03Å; G517-R520 VanDerWaalsContact O-N 3.15Å; R520-R524 WeakPolarHBondContact O-CG 3.39Å; R520-R524 PolarHBondContact O-N 3.44Å
521	R	34.9	Very low	36.4	Very low	196 Å²	196	115.2 Å²	115.2	74%	0.74	58%	0.577	S	S	*	*	H	α-helix	trans	-72.3	-47.7	176	-118.5	178.9	-168.1	-178.8	3	111.4	G517 D518 M523 R524 T525	G517-R521 PolarHBondContact O-N 3.25Å; G517-R521 VanDerWaalsContact O-N 3.12Å; D518-R521 PolarHBondContact O-N 3.09Å; R521-M523 PolarHBondContact O-N 3.4Å; R521-R524 PolarHBondContact O-N 3.01Å; R521-T525 PolarHBondContact O-OG1 3.28Å
522	A	33.1	Very low	35.6	Very low	66 Å²	66	121 Å²	121	55%	0.545	61%	0.608	S	S	.	*	H	α-helix	trans	-62	-30.9	177	0	0	0	0	0	113.1	D518	D518-A522 VanDerWaalsContact O-CB 3.3Å; D518-A522 WeakPolarHBondContact O-CB 3.25Å; D518-A522 PolarHBondContact O-N 2.83Å
523	M	30.8	Very low	35	Very low	146 Å²	146	130.4 Å²	130.4	72%	0.719	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-14.3	-179.9	-158.9	166.5	-168.5	0	0	113.9	K519 R521	K519-M523 WeakPolarHBondContact O-CB 3.38Å; K519-M523 PolarHBondContact O-N 3.31Å; R521-M523 PolarHBondContact O-N 3.4Å
524	R	35.7	Very low	34.2	Very low	209 Å²	209	128.9 Å²	128.9	79%	0.789	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-18.8	175.2	-77.6	178.9	178	150.2	-4.9	113.7	R520 R521	R520-R524 WeakPolarHBondContact O-CG 3.39Å; R520-R524 PolarHBondContact O-N 3.44Å; R521-R524 PolarHBondContact O-N 3.01Å
525	T	33	Very low	33.6	Very low	121 Å²	121	131 Å²	131	74%	0.742	64%	0.643	S	S	*	*	S	Bend	trans	-111.6	1.8	-171.3	-16.5	0	0	0	0	114.9	R521	R521-T525 PolarHBondContact O-OG1 3.28Å
526	A	26.7	Very low	33.1	Very low	63 Å²	63	128.8 Å²	128.8	52%	0.521	65%	0.647	S	S	.	*	S	Bend	trans	-100.3	133.6	-178	0	0	0	0	0	112.8
527	P	37.9	Very low	33	Very low	105 Å²	105	130.4 Å²	130.4	68%	0.682	66%	0.655	S	S	*	*			trans	-68.8	143.1	178.5	27.5	-32.3	0	0	0	111.7	K529 L530	P527-K529 PolarHBondContact O-N 2.91Å; P527-L530 PolarHBondContact O-N 2.84Å; P527-L530 VanDerWaalsContact O-N 3.07Å
528	Q	35.4	Very low	32.8	Very low	170 Å²	170	134 Å²	134	79%	0.794	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-55.9	-18.3	-166.7	-158.7	164	3.3	0	0	115.7
529	K	32.3	Very low	32.4	Very low	210 Å²	210	131.6 Å²	131.6	91%	0.913	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-78.6	-15.5	178	-88.7	179.9	174.8	176.2	0	114.9	P527	P527-K529 PolarHBondContact O-N 2.91Å
530	L	30.1	Very low	32.2	Very low	133 Å²	133	133.9 Å²	133.9	70%	0.696	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-97	14.2	178.6	-139.1	90.6	0	0	0	113.7	P527 S534	P527-L530 PolarHBondContact O-N 2.84Å; P527-L530 VanDerWaalsContact O-N 3.07Å; L530-S534 PolarHBondContact O-OG 3.49Å
531	R	30.2	Very low	32.3	Very low	154 Å²	154	132.7 Å²	132.7	58%	0.581	68%	0.679	S	S	*	*	S	Bend	trans	-95.5	-17.8	-175.5	-175.5	170.1	150.9	-174.4	-7.8	114.1	N535	R531-N535 PolarHBondContact O-ND2 3Å
532	N	31.3	Very low	32.5	Very low	144 Å²	144	128.1 Å²	128.1	77%	0.77	67%	0.668	S	S	*	*	S	Bend	trans	-99.8	-10.7	-175.1	-73.6	-1.1	0	0	0	114.5
533	R	32.4	Very low	32.6	Very low	239 Å²	239	134.1 Å²	134.1	90%	0.902	69%	0.685	S	S	*	*	S	Bend	trans	-102.4	-16.2	-178.6	-128.1	176.7	-177.3	178	0.1	114.1
534	S	31.1	Very low	32.9	Very low	44 Å²	44	129.7 Å²	129.7	31%	0.308	67%	0.668	S	S	.	*	S	Bend	trans	-94.2	-12.4	-177	34.9	0	0	0	0	114.1	L530 A536 Q538	L530-S534 PolarHBondContact O-OG 3.49Å; S534-A536 VanDerWaalsContact C-N 3.31Å; S534-A536 PolarHBondContact O-N 3.36Å; S534-Q538 WeakPolarHBondContact O-CB 3.23Å; S534-Q538 PolarHBondContact O-N 3.27Å
535	N	31.6	Very low	33.6	Very low	106 Å²	106	122.4 Å²	122.4	57%	0.567	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-18	-176.8	-72.6	-12.9	0	0	0	114.6	R531	R531-N535 PolarHBondContact O-ND2 3Å
536	A	30.9	Very low	34.7	Very low	80 Å²	80	121.5 Å²	121.5	66%	0.661	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-30.6	-180	0	0	0	0	0	113.6	S534	S534-A536 VanDerWaalsContact C-N 3.31Å; S534-A536 PolarHBondContact O-N 3.36Å
537	N	31.9	Very low	36.1	Very low	142 Å²	142	123.8 Å²	123.8	76%	0.759	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-10.8	-176.9	-74	-5.3	0	0	0	113.8
538	Q	28.7	Very low	37.5	Very low	117 Å²	117	120.9 Å²	120.9	55%	0.547	62%	0.621	S	S	.	*	S	Bend	trans	-98.2	-10.4	-176.3	-150.7	157.3	12.6	0	0	113.7	S534 N540 L541 I542	S534-Q538 WeakPolarHBondContact O-CB 3.23Å; S534-Q538 PolarHBondContact O-N 3.27Å; Q538-N540 VanDerWaalsContact C-N 3.3Å; Q538-N540 PolarHBondContact O-N 3.38Å; Q538-L541 PolarHBondContact O-N 3.4Å; Q538-I542 WeakPolarHBondContact O-CD1 3.44Å; Q538-I542 WeakPolarHBondContact O-CG1 3.5Å
539	A	29.4	Very low	39.4	Very low	70 Å²	70	117.5 Å²	117.5	58%	0.579	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-69.1	-24	174.5	0	0	0	0	0	113.4
540	N	33.8	Very low	41.6	Very low	145 Å²	145	107.8 Å²	107.8	78%	0.775	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-83.7	-5.2	179.2	-77.2	-23.6	0	0	0	114.5	Q538	Q538-N540 VanDerWaalsContact C-N 3.3Å; Q538-N540 PolarHBondContact O-N 3.38Å
541	L	36.9	Very low	44	Very low	127 Å²	127	102 Å²	102	67%	0.665	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-100.6	-7.2	177.7	-118.9	102.7	0	0	0	113.8	Q538	Q538-L541 PolarHBondContact O-N 3.4Å
542	I	38.6	Very low	46.4	Very low	99 Å²	99	100.3 Å²	100.3	51%	0.508	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	4.1	-163.9	-67.9	172.9	0	0	0	113.6	Q538	Q538-I542 WeakPolarHBondContact O-CD1 3.44Å; Q538-I542 WeakPolarHBondContact O-CG1 3.5Å
543	Q	35	Very low	48.7	Very low	192 Å²	192	96.8 Å²	96.8	90%	0.897	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.1	58.2	169.2	-140	169.6	6.4	0	0	112.6	S545	Q543-S545 PolarHBondContact O-N 3Å; Q543-S545 VanDerWaalsContact O-N 3.09Å
544	S	37.1	Very low	51	Low	53 Å²	53	85.5 Å²	85.5	37%	0.371	46%	0.456	S	S	.	.			trans	-71.9	109	169.8	61.7	0	0	0	0	108.6
545	S	50.7	Low	53.3	Low	56 Å²	56	84.5 Å²	84.5	39%	0.392	45%	0.453	S	S	.	.			trans	-52.4	148.7	166.5	76.2	0	0	0	0	109.4	Q543 R547 T548 R549	Q543-S545 PolarHBondContact O-N 3Å; Q543-S545 VanDerWaalsContact O-N 3.09Å; S545-R547 PolarHBondContact O-N 2.58Å; S545-T548 WeakPolarHBondContact O-CB 3.46Å; S545-T548 PolarHBondContact O-N 2.88Å; S545-T548 PolarHBondContact O-OG1 2.86Å; S545-T548 PolarHBondContact OG-N 2.86Å; S545-T548 PolarHBondContact OG-OG1 3.48Å; S545-R549 PolarHBondContact O-N 2.86Å
546	P	55.8	Low	55.6	Low	102 Å²	102	87.2 Å²	87.2	66%	0.662	46%	0.455	S	S	*	.	H	α-helix	trans	-48.8	-36.1	178.9	-27.1	32.8	0	0	0	112.3	T548 R549 V550	P546-T548 VanDerWaalsContact C-N 3.35Å; P546-T548 PolarHBondContact O-N 3.41Å; P546-R549 PolarHBondContact O-N 3.13Å; P546-V550 WeakPolarHBondContact O-CG2 3.48Å; P546-V550 PolarHBondContact O-N 3.3Å; P546-V550 VanDerWaalsContact O-N 3.15Å
547	R	56.7	Low	57.7	Low	112 Å²	112	85.4 Å²	85.4	42%	0.423	43%	0.434	S	S	.	.	H	α-helix	trans	-58	-40	175.7	-160.8	177.1	-173.5	174.9	4	113.4	S545 N551	S545-R547 PolarHBondContact O-N 2.58Å; R547-N551 WeakPolarHBondContact O-CB 3.37Å; R547-N551 PolarHBondContact O-N 3.38Å; R547-N551 PolarHBondContact O-ND2 3.36Å; R547-N551 PolarHBondContact O-OD1 3.03Å
548	T	68.1	Low	59.8	Low	44 Å²	44	79.2 Å²	79.2	27%	0.27	40%	0.401	S	S	.	.	H	α-helix	trans	-72.7	-31.7	-179.1	-39	0	0	0	0	112.1	S545 P546 R552	S545-T548 WeakPolarHBondContact O-CB 3.46Å; S545-T548 PolarHBondContact O-N 2.88Å; S545-T548 PolarHBondContact O-OG1 2.86Å; S545-T548 PolarHBondContact OG-N 2.86Å; S545-T548 PolarHBondContact OG-OG1 3.48Å; P546-T548 VanDerWaalsContact C-N 3.35Å; P546-T548 PolarHBondContact O-N 3.41Å; T548-R552 WeakPolarHBondContact O-CB 3.34Å; T548-R552 PolarHBondContact O-N 2.99Å; T548-R552 VanDerWaalsContact O-N 3.09Å
549	R	74.5	Confident	61.9	Low	98 Å²	98	79.9 Å²	79.9	37%	0.37	40%	0.404	S	S	.	.	H	α-helix	trans	-69.8	-45.9	173.9	-178.5	178.7	171	-164.8	-2.8	111.3	D242 S545 P546 N551 R552 Y553	D242-R549 IonicContact OD1-CZ 3.14Å; D242-R549 VanDerWaalsContact OD1-CZ 3.3Å; D242-R549 IonicContact OD1-NH1 3.26Å; D242-R549 PolarHBondContact OD1-NH1 3.4Å; D242-R549 IonicContact OD1-NH2 3.42Å; D242-R549 PolarHBondContact OD1-NH2 3.45Å; D242-R549 IonicContact OD2-CZ 3.07Å; D242-R549 IonicContact OD2-NH1 3.36Å; D242-R549 PolarHBondContact OD2-NH1 3.08Å; S545-R549 PolarHBondContact O-N 2.86Å; P546-R549 PolarHBondContact O-N 3.13Å; R549-N551 VanDerWaalsContact C-N 3.34Å; R549-N551 PolarHBondContact O-N 2.98Å; R549-R552 PolarHBondContact O-N 3.34Å; R549-Y553 PolarHBondContact O-N 2.85Å
550	V	78.5	Confident	63.6	Low	7 Å²	7	79 Å²	79	4%	0.042	40%	0.396	C	S	.	.	H	α-helix	trans	-56.8	-49.7	174.6	174.8	0	0	0	0	110.2	E235 L238 P546 R552 Y553 I554	E235-V550 HydrophobicContact CB-CG1 4.17Å; E235-V550 HydrophobicContact CB-CG2 4.21Å; E235-V550 HydrophobicContact CG-CG2 4.03Å; L238-V550 HydrophobicContact CD1-CB 4.32Å; L238-V550 HydrophobicContact CD1-CG2 3.86Å; P546-V550 WeakPolarHBondContact O-CG2 3.48Å; P546-V550 PolarHBondContact O-N 3.3Å; P546-V550 VanDerWaalsContact O-N 3.15Å; V550-R552 VanDerWaalsContact C-N 3.34Å; V550-R552 PolarHBondContact O-N 3.11Å; V550-Y553 PolarHBondContact O-N 3.18Å; V550-I554 HydrophobicContact CG1-CD1 3.64Å; V550-I554 HydrophobicContact CG1-CG1 4.35Å; V550-I554 WeakPolarHBondContact O-CB 3.31Å; V550-I554 VanDerWaalsContact O-CG1 3.3Å; V550-I554 WeakPolarHBondContact O-CG1 3.11Å; V550-I554 PolarHBondContact O-N 3.48Å
551	N	80.3	Confident	65	Low	10 Å²	10	75.2 Å²	75.2	5%	0.053	37%	0.372	C	S	.	.	H	α-helix	trans	-59.3	-41.8	179.3	-74.3	-4.2	0	0	0	112.7	E36 L40 R547 R549 G555	E36-N551 PolarHBondContact OE2-ND2 2.94Å; L40-N551 HydrophobicContact CD1-CB 3.7Å; R547-N551 WeakPolarHBondContact O-CB 3.37Å; R547-N551 PolarHBondContact O-N 3.38Å; R547-N551 PolarHBondContact O-ND2 3.36Å; R547-N551 PolarHBondContact O-OD1 3.03Å; R549-N551 VanDerWaalsContact C-N 3.34Å; R549-N551 PolarHBondContact O-N 2.98Å; N551-G555 PolarHBondContact O-N 3.28Å
552	R	80.9	Confident	66.2	Low	119 Å²	119	72.5 Å²	72.5	45%	0.449	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-41.6	176.6	-173	-174.4	-64.2	156.7	-0.5	112.3	T548 R549 V550 G555 R556	T548-R552 WeakPolarHBondContact O-CB 3.34Å; T548-R552 PolarHBondContact O-N 2.99Å; T548-R552 VanDerWaalsContact O-N 3.09Å; R549-R552 PolarHBondContact O-N 3.34Å; V550-R552 VanDerWaalsContact C-N 3.34Å; V550-R552 PolarHBondContact O-N 3.11Å; R552-G555 PolarHBondContact O-N 2.95Å; R552-R556 PolarHBondContact O-N 3.19Å; R552-R556 VanDerWaalsContact O-N 3.12Å
553	Y	79.6	Confident	67	Low	71 Å²	71	73.5 Å²	73.5	28%	0.278	37%	0.366	S	S	.	.	H	α-helix	trans	-65.7	-45	178.5	-175.9	-105.7	0	0	0	111.4	I234 L238 R549 V550 G555 R556 L557	I234-Y553 HydrophobicContact CG2-CD1 3.74Å; I234-Y553 HydrophobicContact CG2-CE1 4.04Å; L238-Y553 HydrophobicContact CD1-CD1 4.02Å; L238-Y553 HydrophobicContact CD1-CG 4.28Å; L238-Y553 HydrophobicContact CD2-CD1 4.38Å; L238-Y553 HydrophobicContact CD2-CG 4.48Å; L238-Y553 HydrophobicContact CG-CD1 4.5Å; R549-Y553 PolarHBondContact O-N 2.85Å; V550-Y553 PolarHBondContact O-N 3.18Å; Y553-G555 VanDerWaalsContact C-N 3.3Å; Y553-G555 PolarHBondContact O-N 3.45Å; Y553-R556 PolarHBondContact O-N 2.82Å; Y553-L557 HydrophobicContact CD1-CD1 3.62Å; Y553-L557 HydrophobicContact CD1-CG 4.44Å; Y553-L557 HydrophobicContact CE1-CD1 3.25Å; Y553-L557 HydrophobicContact CE1-CG 4.1Å; Y553-L557 HydrophobicContact CG-CD1 4.5Å; Y553-L557 PolarHBondContact O-N 3.26Å
554	I	81.6	Confident	67.9	Low	1 Å²	1	70.9 Å²	70.9	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-58.2	-43.8	172.8	-68.7	171.5	0	0	0	110.6	L40 R231 I234 V550 R556 L557 I558	L40-I554 HydrophobicContact CD1-CG2 4.4Å; R231-I554 HydrophobicContact CB-CD1 3.96Å; R231-I554 HydrophobicContact CG-CD1 3.64Å; I234-I554 HydrophobicContact CD1-CG1 4.14Å; I234-I554 HydrophobicContact CG2-CG1 4.11Å; V550-I554 HydrophobicContact CG1-CD1 3.64Å; V550-I554 HydrophobicContact CG1-CG1 4.35Å; V550-I554 WeakPolarHBondContact O-CB 3.31Å; V550-I554 VanDerWaalsContact O-CG1 3.3Å; V550-I554 WeakPolarHBondContact O-CG1 3.11Å; V550-I554 PolarHBondContact O-N 3.48Å; I554-R556 VanDerWaalsContact C-N 3.34Å; I554-R556 PolarHBondContact O-N 2.78Å; I554-L557 PolarHBondContact O-N 3.43Å; I554-I558 HydrophobicContact CG2-CD1 3.63Å; I554-I558 HydrophobicContact CG2-CG1 4.25Å; I554-I558 VanDerWaalsContact O-CG1 3.26Å; I554-I558 WeakPolarHBondContact O-CG1 3.33Å; I554-I558 PolarHBondContact O-N 3.31Å
555	G	78.6	Confident	68.7	Low	23 Å²	23	72.7 Å²	72.7	24%	0.237	37%	0.366	C	S	.	.	H	α-helix	trans	-56	-45.1	176	0	0	0	0	0	113.2	N551 R552 Y553 I558 E559	N551-G555 PolarHBondContact O-N 3.28Å; R552-G555 PolarHBondContact O-N 2.95Å; Y553-G555 VanDerWaalsContact C-N 3.3Å; Y553-G555 PolarHBondContact O-N 3.45Å; G555-I558 PolarHBondContact O-N 3.29Å; G555-E559 PolarHBondContact O-N 3.06Å; G555-E559 VanDerWaalsContact O-N 3.08Å
556	R	79.9	Confident	69	Low	163 Å²	163	73 Å²	73	62%	0.615	36%	0.364	S	S	*	.	H	α-helix	trans	-66.9	-39.7	176.7	-68.3	179.4	-173.6	174.1	-0.9	112.9	R552 Y553 I554 I558 E559 A560	R552-R556 PolarHBondContact O-N 3.19Å; R552-R556 VanDerWaalsContact O-N 3.12Å; Y553-R556 PolarHBondContact O-N 2.82Å; I554-R556 VanDerWaalsContact C-N 3.34Å; I554-R556 PolarHBondContact O-N 2.78Å; R556-I558 VanDerWaalsContact C-N 3.35Å; R556-E559 PolarHBondContact O-N 2.69Å; R556-A560 WeakPolarHBondContact O-CB 3.32Å; R556-A560 PolarHBondContact O-N 3.38Å
557	L	75.4	Confident	69.3	Low	43 Å²	43	72 Å²	72	23%	0.225	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-40.5	176.3	-82.8	168.1	0	0	0	111.9	I234 Y553 I554 R561	I234-L557 HydrophobicContact CD1-CD1 4.19Å; Y553-L557 HydrophobicContact CD1-CD1 3.62Å; Y553-L557 HydrophobicContact CD1-CG 4.44Å; Y553-L557 HydrophobicContact CE1-CD1 3.25Å; Y553-L557 HydrophobicContact CE1-CG 4.1Å; Y553-L557 HydrophobicContact CG-CD1 4.5Å; Y553-L557 PolarHBondContact O-N 3.26Å; I554-L557 PolarHBondContact O-N 3.43Å; L557-R561 WeakPolarHBondContact O-CB 3.31Å; L557-R561 WeakPolarHBondContact O-CG 3.43Å; L557-R561 PolarHBondContact O-N 2.64Å
558	I	75.1	Confident	69.5	Low	12 Å²	12	69.1 Å²	69.1	6%	0.062	36%	0.356	C	S	.	.	H	α-helix	trans	-62.5	-45.6	175.4	-68.5	165.5	0	0	0	110	L40 Y44 I554 G555 R556 R561 Q562	L40-I558 HydrophobicContact CD2-CD1 4.5Å; Y44-I558 HydrophobicContact CD2-CG1 4.47Å; I554-I558 HydrophobicContact CG2-CD1 3.63Å; I554-I558 HydrophobicContact CG2-CG1 4.25Å; I554-I558 VanDerWaalsContact O-CG1 3.26Å; I554-I558 WeakPolarHBondContact O-CG1 3.33Å; I554-I558 PolarHBondContact O-N 3.31Å; G555-I558 PolarHBondContact O-N 3.29Å; R556-I558 VanDerWaalsContact C-N 3.35Å; I558-R561 PolarHBondContact O-N 2.93Å; I558-Q562 WeakPolarHBondContact O-CG 3.42Å; I558-Q562 PolarHBondContact O-N 2.63Å
559	E	72.6	Confident	69.8	Low	131 Å²	131	70.4 Å²	70.4	61%	0.612	36%	0.361	S	S	*	.	H	α-helix	trans	-63.2	-45.7	178.9	-172.9	176.4	-170.9	0	0	112.4	G555 R556 R561 Q562	G555-E559 PolarHBondContact O-N 3.06Å; G555-E559 VanDerWaalsContact O-N 3.08Å; R556-E559 PolarHBondContact O-N 2.69Å; E559-R561 VanDerWaalsContact C-N 3.34Å; E559-R561 PolarHBondContact O-N 3.46Å; E559-Q562 PolarHBondContact O-N 3.46Å
560	A	65.1	Low	70.3	Confident	50 Å²	50	66.2 Å²	66.2	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-43.6	176.7	0	0	0	0	0	111.7	R556 Q562 T563 E564	R556-A560 WeakPolarHBondContact O-CB 3.32Å; R556-A560 PolarHBondContact O-N 3.38Å; A560-Q562 PolarHBondContact O-N 3.47Å; A560-T563 PolarHBondContact O-N 3.41Å; A560-T563 VanDerWaalsContact O-N 3.14Å; A560-T563 PolarHBondContact O-OG1 3.38Å; A560-E564 PolarHBondContact O-N 3.25Å
561	R	63.7	Low	70.7	Confident	67 Å²	67	68.9 Å²	68.9	25%	0.253	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-33.7	177.8	-75.9	-178.2	178	-165.7	1.1	113.9	L557 I558 E559 T563 E564	L557-R561 WeakPolarHBondContact O-CB 3.31Å; L557-R561 WeakPolarHBondContact O-CG 3.43Å; L557-R561 PolarHBondContact O-N 2.64Å; I558-R561 PolarHBondContact O-N 2.93Å; E559-R561 VanDerWaalsContact C-N 3.34Å; E559-R561 PolarHBondContact O-N 3.46Å; R561-T563 PolarHBondContact O-N 2.9Å; R561-T563 VanDerWaalsContact O-N 3.09Å; R561-E564 PolarHBondContact O-N 3.29Å
562	Q	62.5	Low	70.8	Confident	69 Å²	69	76.3 Å²	76.3	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-59.1	-24.8	175.2	-75.7	175.5	0.3	0	0	112.2	N43 K47 I558 E559 A560	N43-Q562 PolarHBondContact O-NE2 2.99Å; K47-Q562 HydrophobicContact CD-CG 4.49Å; K47-Q562 PolarHBondContact NZ-O 2.96Å; I558-Q562 WeakPolarHBondContact O-CG 3.42Å; I558-Q562 PolarHBondContact O-N 2.63Å; E559-Q562 PolarHBondContact O-N 3.46Å; A560-Q562 PolarHBondContact O-N 3.47Å
563	T	54.4	Low	70.9	Confident	120 Å²	120	76.4 Å²	76.4	74%	0.736	40%	0.401	S	S	*	.	H	α-helix	trans	-89.8	-24.6	178.6	66.4	0	0	0	0	115	A560 R561	A560-T563 PolarHBondContact O-N 3.41Å; A560-T563 VanDerWaalsContact O-N 3.14Å; A560-T563 PolarHBondContact O-OG1 3.38Å; R561-T563 PolarHBondContact O-N 2.9Å; R561-T563 VanDerWaalsContact O-N 3.09Å
564	E	53.9	Low	71.1	Confident	138 Å²	138	75.2 Å²	75.2	65%	0.645	40%	0.401	S	S	*	.	S	Bend	trans	-85.3	154.3	176.7	-75.7	-173.6	153.6	0	0	112.2	A560 R561 D566	A560-E564 PolarHBondContact O-N 3.25Å; R561-E564 PolarHBondContact O-N 3.29Å; E564-D566 PolarHBondContact O-N 3.26Å
565	S	55.9	Low	71.4	Confident	90 Å²	90	75.6 Å²	75.6	63%	0.629	40%	0.403	S	S	*	.			trans	-77.2	87.9	-179.4	57.4	0	0	0	0	110.6	T567 A568	S565-T567 PolarHBondContact O-N 3.15Å; S565-A568 PolarHBondContact O-N 2.88Å
566	D	56.2	Low	71.8	Confident	62 Å²	62	78.1 Å²	78.1	33%	0.332	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-12.7	178.9	-63.5	-54.8	0	0	0	115.8	K47 E564 L799	K47-D566 IonicContact NZ-OD2 3.5Å; K47-D566 PolarHBondContact NZ-OD2 2.78Å; E564-D566 PolarHBondContact O-N 3.26Å; D566-L799 HydrophobicContact CB-CD2 4.32Å; D566-L799 WeakPolarHBondContact O-CD2 3.42Å
567	T	61.5	Low	72.3	Confident	82 Å²	82	70.9 Å²	70.9	50%	0.503	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	2.9	-179.1	58.4	0	0	0	0	115	S565 D569 L570	S565-T567 PolarHBondContact O-N 3.15Å; T567-D569 VanDerWaalsContact C-N 3.27Å; T567-D569 PolarHBondContact O-N 3.13Å; T567-L570 PolarHBondContact O-N 3.5Å
568	A	61.9	Low	72.8	Confident	51 Å²	51	75.4 Å²	75.4	42%	0.421	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.7	-174.4	0	0	0	0	0	113.7	S565 K578	S565-A568 PolarHBondContact O-N 2.88Å; A568-K578 VanDerWaalsContact O-CE 3.29Å; A568-K578 WeakPolarHBondContact O-CE 3.44Å; A568-K578 PolarHBondContact O-NZ 2.72Å
569	D	73.9	Confident	73.4	Confident	71 Å²	71	77.5 Å²	77.5	38%	0.38	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.4	-179.2	-82.7	0.1	0	0	0	114.2	T567 K578 R582 L802	T567-D569 VanDerWaalsContact C-N 3.27Å; T567-D569 PolarHBondContact O-N 3.13Å; D569-K578 PolarHBondContact O-N 2.71Å; D569-R582 IonicContact OD2-NH1 2.76Å; D569-R582 PolarHBondContact OD2-NH1 3.42Å; D569-L802 HydrophobicContact CB-CD2 4.34Å
570	L	85.4	Confident	74.1	Confident	10 Å²	10	76 Å²	76	5%	0.052	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-108	142.1	-176.2	-67.4	160.1	0	0	0	110.6	T567 L575 Y577 L795 R798 L799	T567-L570 PolarHBondContact O-N 3.5Å; L570-L575 VanDerWaalsContact CD2-O 3.26Å; L570-L575 WeakPolarHBondContact CD2-O 3.25Å; L570-Y577 HydrophobicContact CD2-CD1 3.66Å; L570-Y577 HydrophobicContact CD2-CE1 3.64Å; L570-Y577 HydrophobicContact CD2-CG 4.36Å; L570-Y577 HydrophobicContact CG-CD1 4.44Å; L570-Y577 HydrophobicContact CG-CE1 4.46Å; L570-L795 HydrophobicContact CD1-CD1 3.83Å; L570-R798 HydrophobicContact CD2-CB 4.36Å; L570-L799 HydrophobicContact CD1-CD2 3.97Å
571	N	85.4	Confident	75.2	Confident	64 Å²	64	78.7 Å²	78.7	34%	0.342	42%	0.424	S	S	.	.			trans	-72.5	130.4	169.5	-71.5	-41	0	0	0	110.2	L573 T574 L575 M576	N571-L573 VanDerWaalsContact C-N 3.31Å; N571-L573 PolarHBondContact O-N 2.88Å; N571-T574 VanDerWaalsContact CB-OG1 3.3Å; N571-T574 WeakPolarHBondContact CB-OG1 3.42Å; N571-L575 WeakPolarHBondContact O-CA 3.17Å; N571-L575 PolarHBondContact O-N 3.39Å; N571-M576 PolarHBondContact N-O 3.09Å; N571-M576 PolarHBondContact ND2-O 2.93Å
572	F	82.9	Confident	76.2	Confident	165 Å²	165	77.8 Å²	77.8	72%	0.724	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-40.2	-174.7	178.2	-100	0	0	0	113.8
573	L	82.5	Confident	77.5	Confident	121 Å²	121	74.9 Å²	74.9	63%	0.634	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-60.7	-177.9	-156.8	87.7	0	0	0	110.8	N571 L575 W736	N571-L573 VanDerWaalsContact C-N 3.31Å; N571-L573 PolarHBondContact O-N 2.88Å; L573-L575 VanDerWaalsContact C-N 3.33Å; L573-L575 PolarHBondContact O-N 3.24Å; L573-W736 WeakPolarHBondContact O-CZ2 3.41Å; L573-W736 PolarHBondContact O-NE1 3.43Å
574	T	84.8	Confident	79	Confident	46 Å²	46	74.8 Å²	74.8	28%	0.282	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-18.4	-171.9	58.9	0	0	0	0	113.8	N571 M576 L737	N571-T574 VanDerWaalsContact CB-OG1 3.3Å; N571-T574 WeakPolarHBondContact CB-OG1 3.42Å; T574-M576 PolarHBondContact O-N 3.42Å; T574-M576 VanDerWaalsContact O-N 3.12Å; T574-M576 PolarHBondContact OG1-N 2.93Å; T574-L737 HydrophobicContact CG2-CD1 4.13Å
575	L	87.3	Confident	80.6	Confident	9 Å²	9	73.2 Å²	73.2	5%	0.047	39%	0.386	C	S	.	.			trans	56.7	11	-167.2	-59.1	-179.2	0	0	0	114	L570 N571 L573 W736 R791 D794 L795 R798	L570-L575 VanDerWaalsContact CD2-O 3.26Å; L570-L575 WeakPolarHBondContact CD2-O 3.25Å; N571-L575 WeakPolarHBondContact O-CA 3.17Å; N571-L575 PolarHBondContact O-N 3.39Å; L573-L575 VanDerWaalsContact C-N 3.33Å; L573-L575 PolarHBondContact O-N 3.24Å; L575-W736 HydrophobicContact CD1-CG 4.38Å; L575-R791 HydrophobicContact CD1-CG 4.1Å; L575-D794 HydrophobicContact CD1-CB 4.4Å; L575-L795 HydrophobicContact CD1-CB 4.24Å; L575-L795 HydrophobicContact CD2-CD1 4.25Å; L575-R798 WeakPolarHBondContact O-CD 3.49Å; L575-R798 VanDerWaalsContact O-CZ 3.26Å; L575-R798 PolarHBondContact O-NE 3.47Å; L575-R798 PolarHBondContact O-NH1 3.34Å
576	M	87.9	Confident	82.1	Confident	77 Å²	77	69.7 Å²	69.7	38%	0.379	36%	0.359	S	S	.	.			trans	-73	149.6	172.9	-65.3	-175.4	73.8	0	0	110.1	N571 T574 E583	N571-M576 PolarHBondContact N-O 3.09Å; N571-M576 PolarHBondContact ND2-O 2.93Å; T574-M576 PolarHBondContact O-N 3.42Å; T574-M576 VanDerWaalsContact O-N 3.12Å; T574-M576 PolarHBondContact OG1-N 2.93Å; M576-E583 WeakPolarHBondContact CA-OE2 3.36Å; M576-E583 HydrophobicContact CE-CG 3.52Å
577	Y	89.6	Confident	83.5	Confident	10 Å²	10	70 Å²	70	4%	0.039	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-65.3	143	172.6	-62.3	-72.1	0	0	0	110.2	L570 C579 R582 E583 Y586 R798 F801 L802	L570-Y577 HydrophobicContact CD2-CD1 3.66Å; L570-Y577 HydrophobicContact CD2-CE1 3.64Å; L570-Y577 HydrophobicContact CD2-CG 4.36Å; L570-Y577 HydrophobicContact CG-CD1 4.44Å; L570-Y577 HydrophobicContact CG-CE1 4.46Å; Y577-C579 PolarHBondContact O-N 3.41Å; Y577-R582 HydrophobicContact CD2-CB 4.44Å; Y577-R582 HydrophobicContact CG-CB 4.31Å; Y577-E583 HydrophobicContact CD2-CB 4.33Å; Y577-E583 WeakPolarHBondContact CD2-OE2 3.34Å; Y577-E583 PolarHBondContact N-OE2 3.22Å; Y577-Y586 HydrophobicContact CE2-CD1 4.46Å; Y577-Y586 HydrophobicContact CE2-CD2 4.4Å; Y577-Y586 HydrophobicContact CE2-CG 4.01Å; Y577-R798 HydrophobicContact CE2-CG 4.48Å; Y577-R798 VanDerWaalsContact OH-C 3.28Å; Y577-R798 WeakPolarHBondContact OH-CA 3.16Å; Y577-R798 VanDerWaalsContact OH-CB 3.3Å; Y577-R798 WeakPolarHBondContact OH-CB 3.46Å; Y577-R798 PolarHBondContact OH-O 3.09Å; Y577-F801 HydrophobicContact CE2-CD1 4.08Å; Y577-F801 HydrophobicContact CE2-CE1 4.3Å; Y577-F801 AromaticContact CZ-CD1 3.89Å; Y577-F801 WeakPolarHBondContact OH-CD1 3.14Å; Y577-L802 HydrophobicContact CE1-CB 4.24Å; Y577-L802 HydrophobicContact CE1-CD1 4.35Å
578	K	87.2	Confident	84.5	Confident	138 Å²	138	72.5 Å²	72.5	60%	0.6	36%	0.364	S	S	*	.	S	Bend	trans	-63.6	-33	172.8	-71.7	176.3	176.3	172.3	0	112.1	A568 D569	A568-K578 VanDerWaalsContact O-CE 3.29Å; A568-K578 WeakPolarHBondContact O-CE 3.44Å; A568-K578 PolarHBondContact O-NZ 2.72Å; D569-K578 PolarHBondContact O-N 2.71Å
579	C	86.2	Confident	85.5	Confident	57 Å²	57	72.1 Å²	72.1	39%	0.385	36%	0.356	S	S	.	.	S	Bend	trans	-85.2	120.3	175.9	-176.9	0	0	0	0	111	Y577 E581 R582 E583	Y577-C579 PolarHBondContact O-N 3.41Å; C579-E581 PolarHBondContact O-N 3.28Å; C579-R582 HydrophobicContact CB-CB 4.26Å; C579-R582 HydrophobicContact CB-CG 4.22Å; C579-R582 PolarHBondContact O-N 3.25Å; C579-E583 PolarHBondContact O-N 3.37Å
580	S	87.1	Confident	85.8	Confident	98 Å²	98	73.2 Å²	73.2	69%	0.685	37%	0.367	S	S	*	.	H	α-helix	trans	-61.1	-39.6	-178.9	-172.1	0	0	0	0	113	R582 E583 Q584	S580-R582 PolarHBondContact O-N 3.23Å; S580-E583 PolarHBondContact O-N 3.28Å; S580-Q584 PolarHBondContact O-N 2.96Å
581	E	87.9	Confident	85.6	Confident	108 Å²	108	73.4 Å²	73.4	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-42.6	-179.2	-169.1	-174.3	165.6	0	0	112	C579 E583 Q584 R585	C579-E581 PolarHBondContact O-N 3.28Å; E581-E583 VanDerWaalsContact C-N 3.33Å; E581-E583 PolarHBondContact O-N 3.09Å; E581-Q584 PolarHBondContact O-N 3.14Å; E581-R585 WeakPolarHBondContact O-CG 3.46Å; E581-R585 PolarHBondContact O-N 2.97Å; E581-R585 IonicContact OE1-CZ 3.16Å; E581-R585 IonicContact OE1-NE 3.97Å; E581-R585 IonicContact OE1-NH2 3.3Å; E581-R585 PolarHBondContact OE1-NH2 3.12Å
582	R	86.3	Confident	85.4	Confident	47 Å²	47	75 Å²	75	18%	0.177	37%	0.374	C	S	.	.	H	α-helix	trans	-63.5	-38.9	176.7	-71.5	-177.1	171.2	-179.2	-6	111.7	D569 Y577 C579 S580 R585 Y586 E809	D569-R582 IonicContact OD2-NH1 2.76Å; D569-R582 PolarHBondContact OD2-NH1 3.42Å; Y577-R582 HydrophobicContact CD2-CB 4.44Å; Y577-R582 HydrophobicContact CG-CB 4.31Å; C579-R582 HydrophobicContact CB-CB 4.26Å; C579-R582 HydrophobicContact CB-CG 4.22Å; C579-R582 PolarHBondContact O-N 3.25Å; S580-R582 PolarHBondContact O-N 3.23Å; R582-R585 PolarHBondContact O-N 2.7Å; R582-Y586 PolarHBondContact O-N 3.39Å; R582-E809 IonicContact NH2-OE1 3.96Å; R582-E809 IonicContact NH2-OE2 2.96Å; R582-E809 PolarHBondContact NH2-OE2 2.61Å
583	E	88.9	Confident	85.6	Confident	8 Å²	8	69.6 Å²	69.6	4%	0.037	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-41.8	174.7	-170.5	73.5	-157.4	0	0	111.8	M576 Y577 C579 S580 E581 R585 Y586 H587 R798	M576-E583 WeakPolarHBondContact CA-OE2 3.36Å; M576-E583 HydrophobicContact CE-CG 3.52Å; Y577-E583 HydrophobicContact CD2-CB 4.33Å; Y577-E583 WeakPolarHBondContact CD2-OE2 3.34Å; Y577-E583 PolarHBondContact N-OE2 3.22Å; C579-E583 PolarHBondContact O-N 3.37Å; S580-E583 PolarHBondContact O-N 3.28Å; E581-E583 VanDerWaalsContact C-N 3.33Å; E581-E583 PolarHBondContact O-N 3.09Å; E583-R585 PolarHBondContact O-N 2.98Å; E583-Y586 WeakPolarHBondContact O-CB 3.5Å; E583-Y586 PolarHBondContact O-N 3.2Å; E583-H587 PolarHBondContact O-CD2 3.21Å; E583-H587 PolarHBondContact O-N 3.34Å; E583-H587 IonicContact OE1-CE1 3.92Å; E583-H587 PolarHBondContact OE1-CE1 3.33Å; E583-H587 IonicContact OE1-ND1 2.74Å; E583-H587 IonicContact OE1-NE2 2.65Å; E583-H587 PolarHBondContact OE1-NE2 3.38Å; E583-R798 IonicContact OE1-CZ 3.57Å; E583-R798 IonicContact OE1-NH1 3.96Å; E583-R798 PolarHBondContact OE1-NH1 3.09Å; E583-R798 VanDerWaalsContact OE1-NH1 3.15Å; E583-R798 IonicContact OE1-NH2 3.86Å; E583-R798 PolarHBondContact OE1-NH2 3.47Å; E583-R798 IonicContact OE2-CZ 2.77Å; E583-R798 IonicContact OE2-NH1 3.51Å; E583-R798 PolarHBondContact OE2-NH1 3.41Å; E583-R798 IonicContact OE2-NH2 2.65Å
584	Q	86.8	Confident	85.8	Confident	118 Å²	118	64 Å²	64	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-62.2	-42.7	176.4	-169.9	176.5	2.4	0	0	111.7	S580 E581 H587 Q588	S580-Q584 PolarHBondContact O-N 2.96Å; E581-Q584 PolarHBondContact O-N 3.14Å; Q584-H587 PolarHBondContact O-N 3.41Å; Q584-Q588 WeakPolarHBondContact O-CG 3.17Å; Q584-Q588 PolarHBondContact O-N 3.08Å
585	R	87.1	Confident	86	Confident	106 Å²	106	63.1 Å²	63.1	40%	0.4	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-41.4	173.5	-68.5	-173.1	-165.1	179.5	5.1	111.8	E581 R582 E583 H587 Q588 V589 F801	E581-R585 WeakPolarHBondContact O-CG 3.46Å; E581-R585 PolarHBondContact O-N 2.97Å; E581-R585 IonicContact OE1-CZ 3.16Å; E581-R585 IonicContact OE1-NE 3.97Å; E581-R585 IonicContact OE1-NH2 3.3Å; E581-R585 PolarHBondContact OE1-NH2 3.12Å; R582-R585 PolarHBondContact O-N 2.7Å; E583-R585 PolarHBondContact O-N 2.98Å; R585-H587 VanDerWaalsContact C-N 3.31Å; R585-H587 PolarHBondContact O-N 3.29Å; R585-Q588 PolarHBondContact O-N 3.43Å; R585-Q588 VanDerWaalsContact O-N 3.13Å; R585-V589 WeakPolarHBondContact O-CG2 3.49Å; R585-V589 PolarHBondContact O-N 3.5Å; R585-F801 HydrophobicContact CB-CZ 4.04Å
586	Y	87.4	Confident	86.2	Confident	16 Å²	16	65.3 Å²	65.3	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-60.1	-39.8	175.2	-178.8	-110.2	0	0	0	112.2	Y577 R582 E583 Q588 V589 R798 F801	Y577-Y586 HydrophobicContact CE2-CD1 4.46Å; Y577-Y586 HydrophobicContact CE2-CD2 4.4Å; Y577-Y586 HydrophobicContact CE2-CG 4.01Å; R582-Y586 PolarHBondContact O-N 3.39Å; E583-Y586 WeakPolarHBondContact O-CB 3.5Å; E583-Y586 PolarHBondContact O-N 3.2Å; Y586-Q588 VanDerWaalsContact C-N 3.26Å; Y586-Q588 PolarHBondContact O-N 3.26Å; Y586-V589 WeakPolarHBondContact O-CG2 3.25Å; Y586-V589 PolarHBondContact O-N 3.02Å; Y586-R798 HydrophobicContact CE1-CG 4.11Å; Y586-R798 HydrophobicContact CE2-CG 4.16Å; Y586-F801 HydrophobicContact CD2-CB 4.01Å; Y586-F801 AromaticContact CD2-CD1 3.84Å; Y586-F801 HydrophobicContact CD2-CD1 3.84Å; Y586-F801 HydrophobicContact CD2-CD2 4.07Å; Y586-F801 HydrophobicContact CD2-CE1 4.27Å; Y586-F801 AromaticContact CD2-CG 3.69Å; Y586-F801 HydrophobicContact CD2-CG 3.69Å; Y586-F801 HydrophobicContact CE2-CB 4.22Å; Y586-F801 HydrophobicContact CE2-CG 4.39Å; Y586-F801 HydrophobicContact CG-CD1 4.44Å
587	H	84.9	Confident	86.3	Confident	68 Å²	68	61.8 Å²	61.8	32%	0.315	31%	0.313	S	S	.	.	H	α-helix	trans	-67.8	-23.2	176.6	-70.1	-29.2	0	0	0	114.2	E583 Q584 R585 I654	E583-H587 PolarHBondContact O-CD2 3.21Å; E583-H587 PolarHBondContact O-N 3.34Å; E583-H587 IonicContact OE1-CE1 3.92Å; E583-H587 PolarHBondContact OE1-CE1 3.33Å; E583-H587 IonicContact OE1-ND1 2.74Å; E583-H587 IonicContact OE1-NE2 2.65Å; E583-H587 PolarHBondContact OE1-NE2 3.38Å; Q584-H587 PolarHBondContact O-N 3.41Å; R585-H587 VanDerWaalsContact C-N 3.31Å; R585-H587 PolarHBondContact O-N 3.29Å; H587-I654 HydrophobicContact CB-CG2 4.14Å; H587-I654 VanDerWaalsContact ND1-CD1 3.29Å; H587-I654 WeakPolarHBondContact ND1-CD1 3.43Å
588	Q	83.4	Confident	86.5	Confident	134 Å²	134	61.3 Å²	61.3	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-82.6	-13.5	176.5	-69.2	173	5	0	0	113	Q584 R585 Y586 P590	Q584-Q588 WeakPolarHBondContact O-CG 3.17Å; Q584-Q588 PolarHBondContact O-N 3.08Å; R585-Q588 PolarHBondContact O-N 3.43Å; R585-Q588 VanDerWaalsContact O-N 3.13Å; Y586-Q588 VanDerWaalsContact C-N 3.26Å; Y586-Q588 PolarHBondContact O-N 3.26Å; Q588-P590 WeakPolarHBondContact O-CD 3.41Å
589	V	82.8	Confident	86.7	Confident	43 Å²	43	57.4 Å²	57.4	26%	0.261	30%	0.299	S	S	.	.	S	Bend	trans	-69.9	119.1	-176.3	-164.1	0	0	0	0	110.6	R585 Y586 R733 F801	R585-V589 WeakPolarHBondContact O-CG2 3.49Å; R585-V589 PolarHBondContact O-N 3.5Å; Y586-V589 WeakPolarHBondContact O-CG2 3.25Å; Y586-V589 PolarHBondContact O-N 3.02Å; V589-R733 PolarHBondContact O-NH1 3.09Å; V589-F801 HydrophobicContact CG2-CD2 3.89Å; V589-F801 HydrophobicContact CG2-CE2 3.46Å; V589-F801 VanDerWaalsContact CG2-CE2 3.46Å; V589-F801 HydrophobicContact CG2-CZ 4.32Å
590	P	79	Confident	87	Confident	94 Å²	94	55.2 Å²	55.2	61%	0.61	28%	0.284	S	S	*	.			trans	-68.8	141.6	-177.1	27.7	-34.8	0	0	0	111.8	Q588 R733	Q588-P590 WeakPolarHBondContact O-CD 3.41Å; P590-R733 PolarHBondContact O-NH1 2.81Å
591	D	82.4	Confident	87.3	Confident	15 Å²	15	50.6 Å²	50.6	8%	0.08	25%	0.251	C	S	.	.			trans	-96.8	99.6	171.5	-170.1	-17.7	0	0	0	110.7	Y593 F594 R657 R733	D591-Y593 PolarHBondContact O-N 3.46Å; D591-Y593 PolarHBondContact OD1-N 3.21Å; D591-F594 HydrophobicContact CB-CB 4.14Å; D591-F594 PolarHBondContact O-N 3.05Å; D591-F594 PolarHBondContact OD1-N 3.4Å; D591-R657 VanDerWaalsContact CG-NH2 3.32Å; D591-R657 IonicContact OD2-CZ 2.98Å; D591-R657 IonicContact OD2-NH2 3Å; D591-R657 PolarHBondContact OD2-NH2 2.83Å; D591-R733 HydrophobicContact CB-CB 4.41Å; D591-R733 WeakPolarHBondContact OD2-CB 3.39Å
592	E	81.1	Confident	87.6	Confident	96 Å²	96	47.3 Å²	47.3	45%	0.449	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19	179	-68.2	173.7	-175.6	0	0	113.1	K225 R644	K225-E592 IonicContact NZ-OE1 2.67Å; K225-E592 PolarHBondContact NZ-OE1 3.08Å; K225-E592 IonicContact NZ-OE2 3.21Å; K225-E592 PolarHBondContact NZ-OE2 2.97Å; E592-R644 VanDerWaalsContact C-NH2 3.29Å; E592-R644 PolarHBondContact O-NH2 3.14Å
593	Y	86.1	Confident	87.9	Confident	53 Å²	53	48 Å²	48	21%	0.208	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-6.9	-174.1	-54.9	-66.9	0	0	0	113.8	L218 D591 T595 S596 A597	L218-Y593 HydrophobicContact CD1-CG 4.28Å; L218-Y593 HydrophobicContact CD2-CD1 3.41Å; L218-Y593 VanDerWaalsContact CD2-CD1 3.41Å; L218-Y593 HydrophobicContact CD2-CD2 4.28Å; L218-Y593 HydrophobicContact CD2-CE1 3.95Å; L218-Y593 HydrophobicContact CD2-CG 3.59Å; L218-Y593 HydrophobicContact CG-CG 4.49Å; D591-Y593 PolarHBondContact O-N 3.46Å; D591-Y593 PolarHBondContact OD1-N 3.21Å; Y593-T595 VanDerWaalsContact C-N 3.33Å; Y593-T595 PolarHBondContact O-N 3.4Å; Y593-S596 WeakPolarHBondContact O-CA 3.48Å; Y593-S596 WeakPolarHBondContact O-CB 3.4Å; Y593-S596 PolarHBondContact O-N 3.34Å; Y593-A597 PolarHBondContact O-N 3.37Å
594	F	88.7	Confident	88	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-55.3	-43.7	-178.7	-171	-105.6	0	0	0	113.3	D591 S596 A597 V598 L640 L652 R657 L660 F731	D591-F594 HydrophobicContact CB-CB 4.14Å; D591-F594 PolarHBondContact O-N 3.05Å; D591-F594 PolarHBondContact OD1-N 3.4Å; F594-S596 VanDerWaalsContact C-N 3.31Å; F594-S596 PolarHBondContact O-N 3.02Å; F594-A597 WeakPolarHBondContact O-CB 3.37Å; F594-A597 PolarHBondContact O-N 3.23Å; F594-V598 HydrophobicContact CE1-CG2 4.33Å; F594-V598 WeakPolarHBondContact O-CG2 3.44Å; F594-V598 PolarHBondContact O-N 2.91Å; F594-V598 VanDerWaalsContact O-N 3.14Å; F594-L640 HydrophobicContact CD1-CD1 3.78Å; F594-L640 HydrophobicContact CD1-CD2 3.87Å; F594-L640 HydrophobicContact CE1-CD1 3.86Å; F594-L640 HydrophobicContact CE1-CD2 3.96Å; F594-L652 HydrophobicContact CD1-CD2 4.33Å; F594-R657 HydrophobicContact CE1-CG 4.43Å; F594-R657 HydrophobicContact CE2-CB 4.14Å; F594-R657 HydrophobicContact CZ-CB 4.14Å; F594-R657 HydrophobicContact CZ-CG 4.36Å; F594-L660 HydrophobicContact CE1-CD2 3.62Å; F594-L660 HydrophobicContact CZ-CB 4.23Å; F594-L660 HydrophobicContact CZ-CD2 3.84Å; F594-F731 AromaticContact CD2-CD1 3.89Å; F594-F731 HydrophobicContact CD2-CD1 3.89Å; F594-F731 HydrophobicContact CD2-CE1 4.32Å; F594-F731 AromaticContact CE2-CD1 3.56Å; F594-F731 HydrophobicContact CE2-CD1 3.56Å; F594-F731 AromaticContact CE2-CE1 3.85Å; F594-F731 HydrophobicContact CE2-CE1 3.85Å; F594-F731 HydrophobicContact CZ-CD1 4.45Å; F594-F731 HydrophobicContact CZ-CE1 4.33Å
595	T	88.6	Confident	88.2	Confident	28 Å²	28	42.3 Å²	42.3	17%	0.172	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-38.1	176	-48.5	0	0	0	0	112.1	Y593 A597 V598 V599 L640 R644	Y593-T595 VanDerWaalsContact C-N 3.33Å; Y593-T595 PolarHBondContact O-N 3.4Å; T595-A597 VanDerWaalsContact C-N 3.31Å; T595-A597 PolarHBondContact O-N 2.98Å; T595-V598 PolarHBondContact O-N 3.36Å; T595-V599 WeakPolarHBondContact O-CG2 2.89Å; T595-V599 PolarHBondContact O-N 3.06Å; T595-L640 HydrophobicContact CG2-CB 4.39Å; T595-R644 PolarHBondContact OG1-NH2 3.28Å
596	S	89.9	Confident	88.3	Confident	56 Å²	56	39.4 Å²	39.4	39%	0.392	22%	0.217	S	C	.	.	H	α-helix	trans	-67.3	-35.4	177.8	-59.8	0	0	0	0	111.2	Y593 F594 V599 L600	Y593-S596 WeakPolarHBondContact O-CA 3.48Å; Y593-S596 WeakPolarHBondContact O-CB 3.4Å; Y593-S596 PolarHBondContact O-N 3.34Å; F594-S596 VanDerWaalsContact C-N 3.31Å; F594-S596 PolarHBondContact O-N 3.02Å; S596-V599 PolarHBondContact O-N 3.26Å; S596-L600 PolarHBondContact O-N 3.44Å
597	A	91.3	Very high	88.4	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-44.1	174.8	0	0	0	0	0	111.7	F214 Y593 F594 T595 L600 S601 L730 F731	F214-A597 HydrophobicContact CE1-CB 4.04Å; F214-A597 HydrophobicContact CZ-CB 4.4Å; Y593-A597 PolarHBondContact O-N 3.37Å; F594-A597 WeakPolarHBondContact O-CB 3.37Å; F594-A597 PolarHBondContact O-N 3.23Å; T595-A597 VanDerWaalsContact C-N 3.31Å; T595-A597 PolarHBondContact O-N 2.98Å; A597-L600 WeakPolarHBondContact O-CB 3.41Å; A597-L600 PolarHBondContact O-N 2.88Å; A597-S601 PolarHBondContact O-N 3.17Å; A597-S601 PolarHBondContact O-OG 3.38Å; A597-S601 VanDerWaalsContact O-OG 3.1Å; A597-L730 HydrophobicContact CB-CB 4.2Å; A597-L730 WeakPolarHBondContact CB-O 3.37Å; A597-F731 HydrophobicContact CB-CD1 3.99Å; A597-F731 HydrophobicContact CB-CE1 3.99Å
598	V	92.8	Very high	88.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-41.8	177.1	-178.6	0	0	0	0	111.9	F594 T595 L600 S601 L602 L633 C636 I637 L640 I664 F731	F594-V598 HydrophobicContact CE1-CG2 4.33Å; F594-V598 WeakPolarHBondContact O-CG2 3.44Å; F594-V598 PolarHBondContact O-N 2.91Å; F594-V598 VanDerWaalsContact O-N 3.14Å; T595-V598 PolarHBondContact O-N 3.36Å; V598-L600 VanDerWaalsContact C-N 3.26Å; V598-L600 PolarHBondContact O-N 2.83Å; V598-S601 WeakPolarHBondContact O-CB 3.41Å; V598-S601 PolarHBondContact O-N 3.4Å; V598-L602 PolarHBondContact O-N 3.03Å; V598-L633 HydrophobicContact CG1-CD2 4.08Å; V598-C636 HydrophobicContact CG1-CB 4.09Å; V598-I637 HydrophobicContact CB-CG1 4.43Å; V598-I637 HydrophobicContact CG1-CD1 4.42Å; V598-I637 HydrophobicContact CG1-CG1 3.76Å; V598-L640 HydrophobicContact CB-CD1 4.45Å; V598-L640 HydrophobicContact CG2-CD1 3.89Å; V598-I664 HydrophobicContact CG1-CD1 4.06Å; V598-I664 HydrophobicContact CG2-CD1 3.86Å; V598-F731 HydrophobicContact CG2-CE1 4.05Å
599	V	92.5	Very high	88.6	Confident	56 Å²	56	31.6 Å²	31.6	34%	0.339	18%	0.183	S	C	.	.	H	α-helix	trans	-60.1	-39.9	174.3	171.8	0	0	0	0	110.8	T595 S596 L602 I603 I637	T595-V599 WeakPolarHBondContact O-CG2 2.89Å; T595-V599 PolarHBondContact O-N 3.06Å; S596-V599 PolarHBondContact O-N 3.26Å; V599-L602 WeakPolarHBondContact O-CB 3.43Å; V599-L602 PolarHBondContact O-N 2.9Å; V599-I603 HydrophobicContact CG1-CD1 4.41Å; V599-I603 WeakPolarHBondContact O-CG1 3.42Å; V599-I603 PolarHBondContact O-N 3.26Å; V599-I603 VanDerWaalsContact O-N 3.13Å; V599-I637 HydrophobicContact CG2-CD1 3.86Å; V599-I637 HydrophobicContact CG2-CG1 4.09Å; V599-I637 HydrophobicContact CG2-CG2 4.49Å
600	L	92.4	Very high	88.8	Confident	12 Å²	12	33.2 Å²	33.2	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-39.4	176.9	-164.4	63.6	0	0	0	112.4	L210 F214 S596 A597 V598 L602 I603 L604 L730	L210-L600 HydrophobicContact CD1-CD1 3.98Å; L210-L600 HydrophobicContact CD2-CD1 3.63Å; L210-L600 HydrophobicContact CG-CD1 3.63Å; F214-L600 HydrophobicContact CB-CD2 3.34Å; F214-L600 HydrophobicContact CD1-CD2 3.56Å; F214-L600 HydrophobicContact CD2-CD2 3.75Å; F214-L600 HydrophobicContact CE1-CD2 4.18Å; F214-L600 HydrophobicContact CE2-CD2 4.38Å; F214-L600 HydrophobicContact CG-CD2 3.28Å; S596-L600 PolarHBondContact O-N 3.44Å; A597-L600 WeakPolarHBondContact O-CB 3.41Å; A597-L600 PolarHBondContact O-N 2.88Å; V598-L600 VanDerWaalsContact C-N 3.26Å; V598-L600 PolarHBondContact O-N 2.83Å; L600-L602 PolarHBondContact O-N 2.88Å; L600-I603 HydrophobicContact CD1-CD1 4.21Å; L600-I603 PolarHBondContact O-N 3.2Å; L600-I603 VanDerWaalsContact O-N 3.13Å; L600-L604 WeakPolarHBondContact O-CG 3.44Å; L600-L604 PolarHBondContact O-N 3.18Å; L600-L730 HydrophobicContact CB-CD1 4.22Å; L600-L730 HydrophobicContact CD2-CD1 4.08Å; L600-L730 HydrophobicContact CD2-CD2 3.78Å; L600-L730 HydrophobicContact CG-CD1 4.22Å
601	S	92.6	Very high	89.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-37.2	171.8	-59.4	0	0	0	0	112.1	A597 V598 L604 A605	A597-S601 PolarHBondContact O-N 3.17Å; A597-S601 PolarHBondContact O-OG 3.38Å; A597-S601 VanDerWaalsContact O-OG 3.1Å; V598-S601 WeakPolarHBondContact O-CB 3.41Å; V598-S601 PolarHBondContact O-N 3.4Å; S601-L604 PolarHBondContact O-N 2.78Å; S601-A605 WeakPolarHBondContact O-CB 3.29Å; S601-A605 PolarHBondContact O-N 2.98Å
602	L	93.6	Very high	89.2	Confident	39 Å²	39	28.5 Å²	28.5	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-44.2	173.2	176	66.8	0	0	0	112.4	V598 V599 L600 L604 A605 A606 I630 L633 V634 I637	V598-L602 PolarHBondContact O-N 3.03Å; V599-L602 WeakPolarHBondContact O-CB 3.43Å; V599-L602 PolarHBondContact O-N 2.9Å; L600-L602 PolarHBondContact O-N 2.88Å; L602-L604 VanDerWaalsContact C-N 3.33Å; L602-L604 PolarHBondContact O-N 3.27Å; L602-A605 PolarHBondContact O-N 3.02Å; L602-A606 PolarHBondContact O-N 2.99Å; L602-I630 HydrophobicContact CD1-CB 4.5Å; L602-I630 HydrophobicContact CD1-CG1 4.48Å; L602-I630 HydrophobicContact CD1-CG2 4.07Å; L602-L633 HydrophobicContact CB-CB 4.29Å; L602-L633 HydrophobicContact CB-CD1 4.28Å; L602-L633 HydrophobicContact CD1-CB 3.96Å; L602-L633 HydrophobicContact CD1-CD1 4.26Å; L602-V634 HydrophobicContact CD1-CG2 4.42Å; L602-V634 HydrophobicContact CD2-CG2 4.21Å; L602-I637 HydrophobicContact CD2-CD1 3.82Å
603	I	92.7	Very high	89.4	Confident	62 Å²	62	28.5 Å²	28.5	32%	0.318	16%	0.161	S	C	.	.	H	α-helix	trans	-61.6	-44.5	176.3	-64.8	167.2	0	0	0	110.2	L210 V599 L600 A606 L607	L210-I603 HydrophobicContact CD2-CG2 3.8Å; V599-I603 HydrophobicContact CG1-CD1 4.41Å; V599-I603 WeakPolarHBondContact O-CG1 3.42Å; V599-I603 PolarHBondContact O-N 3.26Å; V599-I603 VanDerWaalsContact O-N 3.13Å; L600-I603 HydrophobicContact CD1-CD1 4.21Å; L600-I603 PolarHBondContact O-N 3.2Å; L600-I603 VanDerWaalsContact O-N 3.13Å; I603-A606 PolarHBondContact O-N 2.86Å; I603-L607 HydrophobicContact CG2-CD1 4.3Å; I603-L607 WeakPolarHBondContact O-CG 3.27Å; I603-L607 PolarHBondContact O-N 2.91Å
604	L	90.9	Very high	89.2	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-41.1	177.9	-66.6	170.6	0	0	0	112.2	S211 L600 S601 L602 A606 L607 F608 T727 L730	S211-L604 VanDerWaalsContact OG-CD1 3.28Å; S211-L604 WeakPolarHBondContact OG-CD1 3.46Å; L600-L604 WeakPolarHBondContact O-CG 3.44Å; L600-L604 PolarHBondContact O-N 3.18Å; S601-L604 PolarHBondContact O-N 2.78Å; L602-L604 VanDerWaalsContact C-N 3.33Å; L602-L604 PolarHBondContact O-N 3.27Å; L604-A606 VanDerWaalsContact C-N 3.32Å; L604-A606 PolarHBondContact O-N 2.81Å; L604-L607 HydrophobicContact CD2-CD1 4.45Å; L604-L607 PolarHBondContact O-N 3.13Å; L604-F608 HydrophobicContact CB-CE2 4.4Å; L604-F608 WeakPolarHBondContact O-CD2 3.28Å; L604-F608 WeakPolarHBondContact O-CG 3.31Å; L604-F608 PolarHBondContact O-N 3.28Å; L604-T727 HydrophobicContact CD1-CG2 3.98Å; L604-L730 HydrophobicContact CD1-CD1 3.75Å
605	A	91	Very high	88.7	Confident	4 Å²	4	30.5 Å²	30.5	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-40.7	174.6	0	0	0	0	0	111.9	S601 L602 F608 G609 L633 I668	S601-A605 WeakPolarHBondContact O-CB 3.29Å; S601-A605 PolarHBondContact O-N 2.98Å; L602-A605 PolarHBondContact O-N 3.02Å; A605-F608 PolarHBondContact O-N 3.31Å; A605-G609 PolarHBondContact O-N 3.2Å; A605-L633 HydrophobicContact CB-CD1 3.98Å; A605-I668 HydrophobicContact CB-CG1 4.41Å
606	A	90.7	Very high	88.1	Confident	46 Å²	46	29.6 Å²	29.6	38%	0.38	17%	0.168	S	C	.	.	H	α-helix	trans	-65.1	-42.5	174.7	0	0	0	0	0	112.2	L602 I603 L604 F608 G609 I610	L602-A606 PolarHBondContact O-N 2.99Å; I603-A606 PolarHBondContact O-N 2.86Å; L604-A606 VanDerWaalsContact C-N 3.32Å; L604-A606 PolarHBondContact O-N 2.81Å; A606-F608 VanDerWaalsContact C-N 3.35Å; A606-F608 PolarHBondContact O-N 2.89Å; A606-G609 WeakPolarHBondContact O-CA 3.38Å; A606-G609 PolarHBondContact O-N 3.1Å; A606-G609 VanDerWaalsContact O-N 3.15Å; A606-I610 WeakPolarHBondContact O-CG1 3.46Å; A606-I610 PolarHBondContact O-N 3.36Å; A606-I610 VanDerWaalsContact O-N 3.09Å
607	L	89.3	Confident	87.3	Confident	31 Å²	31	30 Å²	30	16%	0.162	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-41.1	174.8	-70.6	176.1	0	0	0	111.8	V203 I603 L604 G609 I610 V611	V203-L607 HydrophobicContact CG1-CB 3.89Å; V203-L607 HydrophobicContact CG1-CD2 4.27Å; V203-L607 WeakPolarHBondContact CG1-O 3.38Å; I603-L607 HydrophobicContact CG2-CD1 4.3Å; I603-L607 WeakPolarHBondContact O-CG 3.27Å; I603-L607 PolarHBondContact O-N 2.91Å; L604-L607 HydrophobicContact CD2-CD1 4.45Å; L604-L607 PolarHBondContact O-N 3.13Å; L607-G609 VanDerWaalsContact C-N 3.33Å; L607-G609 PolarHBondContact O-N 2.91Å; L607-I610 HydrophobicContact CD2-CD1 4.33Å; L607-I610 WeakPolarHBondContact O-CB 3.33Å; L607-I610 PolarHBondContact O-N 3.48Å; L607-V611 PolarHBondContact O-N 3.5Å
608	F	85.5	Confident	86.7	Confident	18 Å²	18	37.7 Å²	37.7	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-37.7	172.8	-67	-44.9	0	0	0	112.6	L604 A605 A606 I610 V611 Y612 I668 V723	L604-F608 HydrophobicContact CB-CE2 4.4Å; L604-F608 WeakPolarHBondContact O-CD2 3.28Å; L604-F608 WeakPolarHBondContact O-CG 3.31Å; L604-F608 PolarHBondContact O-N 3.28Å; A605-F608 PolarHBondContact O-N 3.31Å; A606-F608 VanDerWaalsContact C-N 3.35Å; A606-F608 PolarHBondContact O-N 2.89Å; F608-I610 VanDerWaalsContact C-N 3.25Å; F608-I610 PolarHBondContact O-N 3.2Å; F608-V611 PolarHBondContact O-N 3.46Å; F608-V611 VanDerWaalsContact O-N 3.16Å; F608-Y612 PolarHBondContact O-N 2.97Å; F608-I668 HydrophobicContact CD2-CG2 4.01Å; F608-I668 HydrophobicContact CE2-CG2 3.93Å; F608-V723 HydrophobicContact CE1-CB 3.85Å; F608-V723 HydrophobicContact CE1-CG1 3.66Å; F608-V723 HydrophobicContact CZ-CB 3.88Å; F608-V723 HydrophobicContact CZ-CG1 3.55Å
609	G	86.8	Confident	85.9	Confident	5 Å²	5	39.2 Å²	39.2	5%	0.052	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-38.2	171.9	0	0	0	0	0	112.8	A605 A606 L607 Y612 L613	A605-G609 PolarHBondContact O-N 3.2Å; A606-G609 WeakPolarHBondContact O-CA 3.38Å; A606-G609 PolarHBondContact O-N 3.1Å; A606-G609 VanDerWaalsContact O-N 3.15Å; L607-G609 VanDerWaalsContact C-N 3.33Å; L607-G609 PolarHBondContact O-N 2.91Å; G609-Y612 PolarHBondContact O-N 3.28Å; G609-L613 VanDerWaalsContact O-CG 3.32Å; G609-L613 WeakPolarHBondContact O-CG 3.45Å; G609-L613 PolarHBondContact O-N 2.92Å
610	I	87.6	Confident	85.5	Confident	77 Å²	77	41.9 Å²	41.9	40%	0.395	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-43.2	175.9	-64	168.7	0	0	0	111.1	V203 A606 L607 F608 Y612 L613 L614	V203-I610 HydrophobicContact CG2-CG2 4.34Å; A606-I610 WeakPolarHBondContact O-CG1 3.46Å; A606-I610 PolarHBondContact O-N 3.36Å; A606-I610 VanDerWaalsContact O-N 3.09Å; L607-I610 HydrophobicContact CD2-CD1 4.33Å; L607-I610 WeakPolarHBondContact O-CB 3.33Å; L607-I610 PolarHBondContact O-N 3.48Å; F608-I610 VanDerWaalsContact C-N 3.25Å; F608-I610 PolarHBondContact O-N 3.2Å; I610-Y612 VanDerWaalsContact C-N 3.32Å; I610-Y612 PolarHBondContact O-N 3.41Å; I610-L613 PolarHBondContact O-N 3.15Å; I610-L614 HydrophobicContact CG2-CD1 3.67Å; I610-L614 HydrophobicContact CG2-CG 4.37Å; I610-L614 WeakPolarHBondContact O-CB 3.32Å; I610-L614 VanDerWaalsContact O-CG 3.24Å; I610-L614 WeakPolarHBondContact O-CG 3.41Å; I610-L614 PolarHBondContact O-N 3.15Å
611	V	85.2	Confident	85.1	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-43	176.4	177.5	0	0	0	0	111	V203 L607 F608 L614 I615	V203-V611 HydrophobicContact CB-CG2 3.9Å; V203-V611 HydrophobicContact CG1-CG2 3.53Å; L607-V611 PolarHBondContact O-N 3.5Å; F608-V611 PolarHBondContact O-N 3.46Å; F608-V611 VanDerWaalsContact O-N 3.16Å; V611-L614 PolarHBondContact O-N 3.44Å; V611-I615 HydrophobicContact CG1-CD1 4.42Å; V611-I615 PolarHBondContact O-N 2.97Å; V611-I615 VanDerWaalsContact O-N 3.14Å
612	Y	84.6	Confident	84.7	Confident	9 Å²	9	46.4 Å²	46.4	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-50.6	175.9	166.8	-103.9	0	0	0	111.9	F608 G609 I610 L614 I616 G619 V622 C675	F608-Y612 PolarHBondContact O-N 2.97Å; G609-Y612 PolarHBondContact O-N 3.28Å; I610-Y612 VanDerWaalsContact C-N 3.32Å; I610-Y612 PolarHBondContact O-N 3.41Å; Y612-L614 PolarHBondContact O-N 2.74Å; Y612-I616 HydrophobicContact CD2-CB 3.84Å; Y612-I616 HydrophobicContact CD2-CD1 4.45Å; Y612-I616 HydrophobicContact CD2-CG2 3.69Å; Y612-I616 HydrophobicContact CE2-CB 4.27Å; Y612-I616 HydrophobicContact CE2-CG2 3.74Å; Y612-I616 WeakPolarHBondContact O-CB 3.44Å; Y612-I616 PolarHBondContact O-N 2.94Å; Y612-I616 VanDerWaalsContact O-N 3.15Å; Y612-G619 PolarHBondContact OH-N 3.46Å; Y612-G619 VanDerWaalsContact OH-N 3.09Å; Y612-G619 PolarHBondContact OH-O 3.03Å; Y612-V622 HydrophobicContact CD1-CG1 4.43Å; Y612-V622 HydrophobicContact CD2-CB 4.41Å; Y612-V622 HydrophobicContact CD2-CG1 3.61Å; Y612-V622 HydrophobicContact CE1-CG1 4.19Å; Y612-V622 HydrophobicContact CE2-CB 3.62Å; Y612-V622 HydrophobicContact CE2-CG1 3.32Å; Y612-V622 HydrophobicContact CE2-CG2 4.13Å; Y612-V622 HydrophobicContact CG-CG1 4.16Å; Y612-C675 HydrophobicContact CD2-CB 4.5Å; Y612-C675 VanDerWaalsContact CD2-SG 3.55Å
613	L	85.4	Confident	84.4	Confident	97 Å²	97	48.7 Å²	48.7	51%	0.508	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-26.1	-178.6	-70.4	171.1	0	0	0	113.9	G609 I610	G609-L613 VanDerWaalsContact O-CG 3.32Å; G609-L613 WeakPolarHBondContact O-CG 3.45Å; G609-L613 PolarHBondContact O-N 2.92Å; I610-L613 PolarHBondContact O-N 3.15Å
614	L	81.4	Confident	84.3	Confident	60 Å²	60	50.5 Å²	50.5	31%	0.314	29%	0.291	S	S	.	.	H	α-helix	trans	-92.2	-38.4	-173.8	-71	172.8	0	0	0	114.4	V199 I610 V611 Y612	V199-L614 HydrophobicContact CB-CD1 4.29Å; V199-L614 HydrophobicContact CG1-CD1 3.45Å; V199-L614 VanDerWaalsContact CG1-CD1 3.45Å; I610-L614 HydrophobicContact CG2-CD1 3.67Å; I610-L614 HydrophobicContact CG2-CG 4.37Å; I610-L614 WeakPolarHBondContact O-CB 3.32Å; I610-L614 VanDerWaalsContact O-CG 3.24Å; I610-L614 WeakPolarHBondContact O-CG 3.41Å; I610-L614 PolarHBondContact O-N 3.15Å; V611-L614 PolarHBondContact O-N 3.44Å; Y612-L614 PolarHBondContact O-N 2.74Å
615	I	77.6	Confident	84.2	Confident	36 Å²	36	53 Å²	53	19%	0.185	30%	0.304	C	S	.	.	H	α-helix	trans	-108.5	-36.5	-171.4	-69.9	173	0	0	0	112.7	A200 V611 G713 Y716	A200-I615 HydrophobicContact CB-CD1 3.08Å; A200-I615 HydrophobicContact CB-CG1 4.16Å; V611-I615 HydrophobicContact CG1-CD1 4.42Å; V611-I615 PolarHBondContact O-N 2.97Å; V611-I615 VanDerWaalsContact O-N 3.14Å; I615-G713 VanDerWaalsContact CG2-CA 3.44Å; I615-Y716 HydrophobicContact CD1-CD1 3.99Å; I615-Y716 HydrophobicContact CD1-CD2 4.05Å; I615-Y716 HydrophobicContact CD1-CE1 4.42Å; I615-Y716 HydrophobicContact CD1-CE2 4.5Å; I615-Y716 HydrophobicContact CD1-CG 3.79Å
616	I	76.1	Confident	84.2	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.051	31%	0.306	C	S	.	.	S	Bend	trans	-97.5	139.3	-163.3	-62	-174.7	0	0	0	109.9	Y612 Q618 C675 A717	Y612-I616 HydrophobicContact CD2-CB 3.84Å; Y612-I616 HydrophobicContact CD2-CD1 4.45Å; Y612-I616 HydrophobicContact CD2-CG2 3.69Å; Y612-I616 HydrophobicContact CE2-CB 4.27Å; Y612-I616 HydrophobicContact CE2-CG2 3.74Å; Y612-I616 WeakPolarHBondContact O-CB 3.44Å; Y612-I616 PolarHBondContact O-N 2.94Å; Y612-I616 VanDerWaalsContact O-N 3.15Å; I616-Q618 PolarHBondContact O-N 2.69Å; I616-C675 HydrophobicContact CD1-CB 3.57Å; I616-A717 HydrophobicContact CD1-CB 3.95Å
617	P	73.9	Confident	84.2	Confident	63 Å²	63	55 Å²	55	41%	0.409	31%	0.31	S	S	.	.			trans	-57.4	138.8	175.8	23	-33.9	0	0	0	111.8	G619	P617-G619 PolarHBondContact O-N 3.45Å
618	Q	77.6	Confident	84.4	Confident	165 Å²	165	59.3 Å²	59.3	77%	0.771	33%	0.328	S	S	*	.			trans	-72.1	93.6	-173.2	-66.4	179.7	-10	0	0	111.4	I616	I616-Q618 PolarHBondContact O-N 2.69Å
619	G	77.3	Confident	84.8	Confident	31 Å²	31	58.5 Å²	58.5	32%	0.32	32%	0.324	S	S	.	.			trans	-93.5	128.4	170.1	0	0	0	0	0	113	Y612 P617 V621 V622 L623	Y612-G619 PolarHBondContact OH-N 3.46Å; Y612-G619 VanDerWaalsContact OH-N 3.09Å; Y612-G619 PolarHBondContact OH-O 3.03Å; P617-G619 PolarHBondContact O-N 3.45Å; G619-V621 VanDerWaalsContact C-N 3.28Å; G619-V621 PolarHBondContact O-N 3.29Å; G619-V622 PolarHBondContact O-N 3.34Å; G619-L623 PolarHBondContact O-N 3.19Å
620	T	82.8	Confident	85.1	Confident	113 Å²	113	61 Å²	61	69%	0.693	34%	0.336	S	S	*	.	H	α-helix	trans	-57.1	-37.6	-179.5	52.2	0	0	0	0	113.4	V622 L623 V624	T620-V622 PolarHBondContact O-N 3.48Å; T620-L623 PolarHBondContact O-N 3.15Å; T620-V624 WeakPolarHBondContact O-CG2 2.76Å; T620-V624 PolarHBondContact O-N 2.99Å; T620-V624 VanDerWaalsContact O-N 3.08Å
621	V	84.1	Confident	85.5	Confident	99 Å²	99	60.8 Å²	60.8	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-61.7	-43.4	179.3	178	0	0	0	0	111.9	G619 V624 L625	G619-V621 VanDerWaalsContact C-N 3.28Å; G619-V621 PolarHBondContact O-N 3.29Å; V621-V624 PolarHBondContact O-N 2.94Å; V621-L625 HydrophobicContact CG1-CD1 4.09Å; V621-L625 WeakPolarHBondContact O-CG 3.38Å; V621-L625 PolarHBondContact O-N 2.99Å
622	V	84.5	Confident	85.9	Confident	7 Å²	7	63 Å²	63	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-68.8	-39	-178.5	-175.7	0	0	0	0	110.9	Y612 G619 T620 L625 L626 A674 C675	Y612-V622 HydrophobicContact CD1-CG1 4.43Å; Y612-V622 HydrophobicContact CD2-CB 4.41Å; Y612-V622 HydrophobicContact CD2-CG1 3.61Å; Y612-V622 HydrophobicContact CE1-CG1 4.19Å; Y612-V622 HydrophobicContact CE2-CB 3.62Å; Y612-V622 HydrophobicContact CE2-CG1 3.32Å; Y612-V622 HydrophobicContact CE2-CG2 4.13Å; Y612-V622 HydrophobicContact CG-CG1 4.16Å; G619-V622 PolarHBondContact O-N 3.34Å; T620-V622 PolarHBondContact O-N 3.48Å; V622-L625 PolarHBondContact O-N 3.44Å; V622-L626 WeakPolarHBondContact O-CB 3.45Å; V622-L626 PolarHBondContact O-N 2.94Å; V622-A674 HydrophobicContact CG2-CB 3.93Å; V622-A674 WeakPolarHBondContact CG2-O 2.9Å; V622-C675 WeakPolarHBondContact CG1-SG 3.49Å
623	L	86.9	Confident	86.3	Confident	88 Å²	88	62.7 Å²	62.7	46%	0.461	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-44.9	175.7	-176	65.5	0	0	0	111.9	G619 T620 L626 V627	G619-L623 PolarHBondContact O-N 3.19Å; T620-L623 PolarHBondContact O-N 3.15Å; L623-L626 PolarHBondContact O-N 2.89Å; L623-V627 WeakPolarHBondContact O-CG2 3.49Å; L623-V627 PolarHBondContact O-N 3.19Å
624	V	90.4	Very high	86.8	Confident	100 Å²	100	61 Å²	61	61%	0.606	34%	0.343	S	S	*	.	H	α-helix	trans	-61.7	-44.8	176.9	171.8	0	0	0	0	111	T620 V621 L626 V627 F628	T620-V624 WeakPolarHBondContact O-CG2 2.76Å; T620-V624 PolarHBondContact O-N 2.99Å; T620-V624 VanDerWaalsContact O-N 3.08Å; V621-V624 PolarHBondContact O-N 2.94Å; V624-L626 PolarHBondContact O-N 3Å; V624-V627 PolarHBondContact O-N 3.28Å; V624-F628 WeakPolarHBondContact O-CB 3.35Å; V624-F628 PolarHBondContact O-N 3.05Å
625	L	89.8	Confident	87.3	Confident	54 Å²	54	60.7 Å²	60.7	28%	0.283	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-40	176.8	-74.1	171	0	0	0	112.4	V621 V622 F628 C629 V671 A674	V621-L625 HydrophobicContact CG1-CD1 4.09Å; V621-L625 WeakPolarHBondContact O-CG 3.38Å; V621-L625 PolarHBondContact O-N 2.99Å; V622-L625 PolarHBondContact O-N 3.44Å; L625-F628 PolarHBondContact O-N 2.91Å; L625-C629 VanDerWaalsContact O-CB 3.31Å; L625-C629 WeakPolarHBondContact O-CB 3.48Å; L625-C629 PolarHBondContact O-N 3.05Å; L625-V671 HydrophobicContact CB-CG2 4.16Å; L625-A674 HydrophobicContact CD1-CB 3.69Å
626	L	89.8	Confident	88	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-45.9	176.8	180	68.3	0	0	0	111.7	V622 L623 V624 C629 I630 V671	V622-L626 WeakPolarHBondContact O-CB 3.45Å; V622-L626 PolarHBondContact O-N 2.94Å; L623-L626 PolarHBondContact O-N 2.89Å; V624-L626 PolarHBondContact O-N 3Å; L626-C629 WeakPolarHBondContact O-CB 3.34Å; L626-C629 PolarHBondContact O-N 3.19Å; L626-I630 HydrophobicContact CD1-CD1 4.34Å; L626-I630 HydrophobicContact CG-CD1 4.2Å; L626-I630 WeakPolarHBondContact O-CG1 3.44Å; L626-I630 PolarHBondContact O-N 3.06Å; L626-V671 HydrophobicContact CB-CG1 4.25Å; L626-V671 HydrophobicContact CD1-CG1 4Å
627	V	92.2	Very high	88.7	Confident	79 Å²	79	60.7 Å²	60.7	48%	0.479	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-45.2	176.8	172.3	0	0	0	0	110.5	L623 V624 C629 I630 C631	L623-V627 WeakPolarHBondContact O-CG2 3.49Å; L623-V627 PolarHBondContact O-N 3.19Å; V624-V627 PolarHBondContact O-N 3.28Å; V627-C629 VanDerWaalsContact C-N 3.32Å; V627-C629 PolarHBondContact O-N 2.75Å; V627-I630 PolarHBondContact O-N 3.09Å; V627-C631 WeakPolarHBondContact O-CB 3.43Å; V627-C631 PolarHBondContact O-N 3.19Å; V627-C631 PolarHBondContact O-SG 3.47Å
628	F	93.7	Very high	89.5	Confident	120 Å²	120	63.2 Å²	63.2	53%	0.526	36%	0.357	S	S	.	.	H	α-helix	trans	-59.7	-42.4	175.5	178.8	-100.7	0	0	0	111.8	V624 L625 I630 C631 F632 L667	V624-F628 WeakPolarHBondContact O-CB 3.35Å; V624-F628 PolarHBondContact O-N 3.05Å; L625-F628 PolarHBondContact O-N 2.91Å; F628-I630 PolarHBondContact O-N 3.46Å; F628-C631 PolarHBondContact O-N 3.04Å; F628-F632 VanDerWaalsContact O-CB 3.28Å; F628-F632 WeakPolarHBondContact O-CB 3.42Å; F628-F632 PolarHBondContact O-N 3.44Å; F628-L667 HydrophobicContact CD1-CD1 3.8Å; F628-L667 HydrophobicContact CD1-CD2 4.16Å; F628-L667 HydrophobicContact CE1-CD1 3.95Å; F628-L667 HydrophobicContact CE1-CD2 4.07Å
629	C	93.6	Very high	90	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.007	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-48	175.6	-176.4	0	0	0	0	112.7	L625 L626 V627 F632 L633 L667 V671	L625-C629 VanDerWaalsContact O-CB 3.31Å; L625-C629 WeakPolarHBondContact O-CB 3.48Å; L625-C629 PolarHBondContact O-N 3.05Å; L626-C629 WeakPolarHBondContact O-CB 3.34Å; L626-C629 PolarHBondContact O-N 3.19Å; V627-C629 VanDerWaalsContact C-N 3.32Å; V627-C629 PolarHBondContact O-N 2.75Å; C629-F632 PolarHBondContact O-N 2.97Å; C629-L633 WeakPolarHBondContact O-CG 3.3Å; C629-L633 PolarHBondContact O-N 2.99Å; C629-L667 HydrophobicContact CB-CD1 4.41Å; C629-L667 HydrophobicContact CB-CD2 4.03Å; C629-L667 HydrophobicContact CB-CG 3.84Å; C629-V671 HydrophobicContact CB-CG2 3.91Å
630	I	93.4	Very high	90.4	Very high	57 Å²	57	58.5 Å²	58.5	29%	0.292	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-47.8	178.4	-69.1	169.8	0	0	0	110.8	L602 L626 V627 F628 F632 L633 V634	L602-I630 HydrophobicContact CD1-CB 4.5Å; L602-I630 HydrophobicContact CD1-CG1 4.48Å; L602-I630 HydrophobicContact CD1-CG2 4.07Å; L626-I630 HydrophobicContact CD1-CD1 4.34Å; L626-I630 HydrophobicContact CG-CD1 4.2Å; L626-I630 WeakPolarHBondContact O-CG1 3.44Å; L626-I630 PolarHBondContact O-N 3.06Å; V627-I630 PolarHBondContact O-N 3.09Å; F628-I630 PolarHBondContact O-N 3.46Å; I630-F632 VanDerWaalsContact C-N 3.33Å; I630-F632 PolarHBondContact O-N 3.02Å; I630-L633 PolarHBondContact O-N 3.23Å; I630-V634 WeakPolarHBondContact O-CG2 3.46Å; I630-V634 PolarHBondContact O-N 3.47Å
631	C	94.6	Very high	90.5	Very high	74 Å²	74	58.4 Å²	58.4	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-43.4	178.1	-71.4	0	0	0	0	111.9	V627 F628 V634 A635	V627-C631 WeakPolarHBondContact O-CB 3.43Å; V627-C631 PolarHBondContact O-N 3.19Å; V627-C631 PolarHBondContact O-SG 3.47Å; F628-C631 PolarHBondContact O-N 3.04Å; C631-V634 PolarHBondContact O-N 3.44Å; C631-A635 WeakPolarHBondContact O-CB 3.28Å; C631-A635 PolarHBondContact O-N 3.23Å
632	F	94.9	Very high	90.5	Very high	47 Å²	47	57.5 Å²	57.5	21%	0.206	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-44.6	177.1	179.7	-100.2	0	0	0	112	F628 C629 I630 V634 A635 C636 L660 L663 I664 L667	F628-F632 VanDerWaalsContact O-CB 3.28Å; F628-F632 WeakPolarHBondContact O-CB 3.42Å; F628-F632 PolarHBondContact O-N 3.44Å; C629-F632 PolarHBondContact O-N 2.97Å; I630-F632 VanDerWaalsContact C-N 3.33Å; I630-F632 PolarHBondContact O-N 3.02Å; F632-V634 PolarHBondContact O-N 2.99Å; F632-A635 PolarHBondContact O-N 2.54Å; F632-C636 WeakPolarHBondContact CE1-SG 3.22Å; F632-C636 WeakPolarHBondContact CZ-SG 3.32Å; F632-C636 PolarHBondContact O-N 3.08Å; F632-C636 PolarHBondContact O-SG 2.7Å; F632-L660 HydrophobicContact CZ-CD1 4.29Å; F632-L663 HydrophobicContact CE1-CD2 4Å; F632-L663 HydrophobicContact CE1-CG 3.96Å; F632-L663 HydrophobicContact CE2-CD2 3.75Å; F632-L663 HydrophobicContact CE2-CG 4.49Å; F632-L663 HydrophobicContact CZ-CD2 3.25Å; F632-L663 HydrophobicContact CZ-CG 3.75Å; F632-I664 HydrophobicContact CE1-CG1 3.94Å; F632-L667 HydrophobicContact CB-CD2 3.84Å; F632-L667 HydrophobicContact CD1-CD2 3.67Å; F632-L667 HydrophobicContact CG-CD2 3.91Å
633	L	93.3	Very high	90.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-40.2	177.2	-74.4	169.5	0	0	0	112.4	V598 L602 A605 C629 I630 C636 I637 I664	V598-L633 HydrophobicContact CG1-CD2 4.08Å; L602-L633 HydrophobicContact CB-CB 4.29Å; L602-L633 HydrophobicContact CB-CD1 4.28Å; L602-L633 HydrophobicContact CD1-CB 3.96Å; L602-L633 HydrophobicContact CD1-CD1 4.26Å; A605-L633 HydrophobicContact CB-CD1 3.98Å; C629-L633 WeakPolarHBondContact O-CG 3.3Å; C629-L633 PolarHBondContact O-N 2.99Å; I630-L633 PolarHBondContact O-N 3.23Å; L633-C636 WeakPolarHBondContact O-CB 3.23Å; L633-C636 PolarHBondContact O-N 3Å; L633-I637 VanDerWaalsContact O-CG1 3.31Å; L633-I637 WeakPolarHBondContact O-CG1 3.41Å; L633-I637 PolarHBondContact O-N 2.9Å; L633-I664 HydrophobicContact CD2-CB 4.37Å; L633-I664 HydrophobicContact CD2-CD1 4.05Å; L633-I664 HydrophobicContact CD2-CG1 3.82Å; L633-I664 HydrophobicContact CD2-CG2 3.75Å
634	V	94.3	Very high	89.7	Confident	62 Å²	62	60.1 Å²	60.1	38%	0.376	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-44.3	174.4	172.8	0	0	0	0	110.9	L602 I630 C631 F632 C636 I637 M638	L602-V634 HydrophobicContact CD1-CG2 4.42Å; L602-V634 HydrophobicContact CD2-CG2 4.21Å; I630-V634 WeakPolarHBondContact O-CG2 3.46Å; I630-V634 PolarHBondContact O-N 3.47Å; C631-V634 PolarHBondContact O-N 3.44Å; F632-V634 PolarHBondContact O-N 2.99Å; V634-C636 VanDerWaalsContact C-N 3.33Å; V634-C636 PolarHBondContact O-N 3.2Å; V634-I637 PolarHBondContact O-N 3.36Å; V634-M638 HydrophobicContact CG1-SD 4.45Å; V634-M638 WeakPolarHBondContact O-CG 3.36Å; V634-M638 PolarHBondContact O-N 3.5Å
635	A	93.4	Very high	89.2	Confident	54 Å²	54	60.1 Å²	60.1	45%	0.446	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-40.7	175.3	0	0	0	0	0	112.2	C631 F632 I637 M638 Y639	C631-A635 WeakPolarHBondContact O-CB 3.28Å; C631-A635 PolarHBondContact O-N 3.23Å; F632-A635 PolarHBondContact O-N 2.54Å; A635-I637 PolarHBondContact O-N 2.54Å; A635-M638 PolarHBondContact O-N 2.95Å; A635-Y639 WeakPolarHBondContact O-CB 3.08Å; A635-Y639 PolarHBondContact O-N 2.97Å
636	C	91.4	Very high	88.3	Confident	7 Å²	7	63.2 Å²	63.2	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-44	173.9	-67.8	0	0	0	0	112.1	V598 F632 L633 V634 M638 Y639 L640 L660	V598-C636 HydrophobicContact CG1-CB 4.09Å; F632-C636 WeakPolarHBondContact CE1-SG 3.22Å; F632-C636 WeakPolarHBondContact CZ-SG 3.32Å; F632-C636 PolarHBondContact O-N 3.08Å; F632-C636 PolarHBondContact O-SG 2.7Å; L633-C636 WeakPolarHBondContact O-CB 3.23Å; L633-C636 PolarHBondContact O-N 3Å; V634-C636 VanDerWaalsContact C-N 3.33Å; V634-C636 PolarHBondContact O-N 3.2Å; C636-M638 VanDerWaalsContact C-N 3.35Å; C636-Y639 PolarHBondContact O-N 2.83Å; C636-L640 WeakPolarHBondContact O-CB 3.18Å; C636-L640 VanDerWaalsContact O-CG 3.25Å; C636-L640 WeakPolarHBondContact O-CG 3.34Å; C636-L640 PolarHBondContact O-N 3.13Å; C636-L660 HydrophobicContact CB-CD2 4.36Å
637	I	91.6	Very high	86.9	Confident	38 Å²	38	67.3 Å²	67.3	20%	0.195	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-44	177.6	-67.5	162.3	0	0	0	110.2	V598 V599 L602 L633 V634 A635 L640 H641	V598-I637 HydrophobicContact CB-CG1 4.43Å; V598-I637 HydrophobicContact CG1-CD1 4.42Å; V598-I637 HydrophobicContact CG1-CG1 3.76Å; V599-I637 HydrophobicContact CG2-CD1 3.86Å; V599-I637 HydrophobicContact CG2-CG1 4.09Å; V599-I637 HydrophobicContact CG2-CG2 4.49Å; L602-I637 HydrophobicContact CD2-CD1 3.82Å; L633-I637 VanDerWaalsContact O-CG1 3.31Å; L633-I637 WeakPolarHBondContact O-CG1 3.41Å; L633-I637 PolarHBondContact O-N 2.9Å; V634-I637 PolarHBondContact O-N 3.36Å; A635-I637 PolarHBondContact O-N 2.54Å; I637-L640 PolarHBondContact O-N 3.45Å; I637-H641 WeakPolarHBondContact O-CB 3.31Å; I637-H641 PolarHBondContact O-N 3.31Å
638	M	89.6	Confident	85.4	Confident	117 Å²	117	69.7 Å²	69.7	58%	0.576	36%	0.358	S	S	*	.	H	α-helix	trans	-60.8	-48.2	176.3	-70.3	-177	66.8	0	0	111.7	V634 A635 C636 L640 H641 I642	V634-M638 HydrophobicContact CG1-SD 4.45Å; V634-M638 WeakPolarHBondContact O-CG 3.36Å; V634-M638 PolarHBondContact O-N 3.5Å; A635-M638 PolarHBondContact O-N 2.95Å; C636-M638 VanDerWaalsContact C-N 3.35Å; M638-L640 PolarHBondContact O-N 3.32Å; M638-H641 PolarHBondContact O-N 3.5Å; M638-H641 VanDerWaalsContact O-N 3.14Å; M638-I642 VanDerWaalsContact O-CG1 3.27Å; M638-I642 WeakPolarHBondContact O-CG1 3.3Å; M638-I642 PolarHBondContact O-N 2.84Å
639	Y	88.3	Confident	83.6	Confident	94 Å²	94	70.2 Å²	70.2	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-57.4	-46.2	176.2	174.6	-100.6	0	0	0	112.3	A635 C636 H641 I642 T643 C651 L652	A635-Y639 WeakPolarHBondContact O-CB 3.08Å; A635-Y639 PolarHBondContact O-N 2.97Å; C636-Y639 PolarHBondContact O-N 2.83Å; Y639-H641 VanDerWaalsContact C-N 3.3Å; Y639-H641 PolarHBondContact O-N 3.43Å; Y639-I642 PolarHBondContact O-N 3.07Å; Y639-T643 HydrophobicContact CD2-CG2 4.4Å; Y639-T643 HydrophobicContact CE1-CG2 4.1Å; Y639-T643 HydrophobicContact CE2-CG2 3.98Å; Y639-T643 WeakPolarHBondContact O-CG2 3.22Å; Y639-T643 PolarHBondContact O-N 3.42Å; Y639-T643 PolarHBondContact O-OG1 3.2Å; Y639-C651 PolarHBondContact OH-SG 2.95Å; Y639-L652 HydrophobicContact CE1-CD1 3.97Å
640	L	86.2	Confident	81.9	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.016	40%	0.404	C	S	.	.	H	α-helix	trans	-66	-32.4	177.5	-71	172.6	0	0	0	112.5	F594 T595 V598 C636 I637 M638 T643 R644 L652 L660	F594-L640 HydrophobicContact CD1-CD1 3.78Å; F594-L640 HydrophobicContact CD1-CD2 3.87Å; F594-L640 HydrophobicContact CE1-CD1 3.86Å; F594-L640 HydrophobicContact CE1-CD2 3.96Å; T595-L640 HydrophobicContact CG2-CB 4.39Å; V598-L640 HydrophobicContact CB-CD1 4.45Å; V598-L640 HydrophobicContact CG2-CD1 3.89Å; C636-L640 WeakPolarHBondContact O-CB 3.18Å; C636-L640 VanDerWaalsContact O-CG 3.25Å; C636-L640 WeakPolarHBondContact O-CG 3.34Å; C636-L640 PolarHBondContact O-N 3.13Å; I637-L640 PolarHBondContact O-N 3.45Å; M638-L640 PolarHBondContact O-N 3.32Å; L640-T643 WeakPolarHBondContact CA-OG1 3.24Å; L640-T643 PolarHBondContact O-OG1 3.1Å; L640-T643 VanDerWaalsContact O-OG1 3.05Å; L640-R644 WeakPolarHBondContact O-CG 3.49Å; L640-R644 PolarHBondContact O-N 2.83Å; L640-L652 HydrophobicContact CD2-CD1 3.61Å; L640-L652 HydrophobicContact CD2-CD2 3.86Å; L640-L652 HydrophobicContact CD2-CG 4.41Å; L640-L660 HydrophobicContact CD1-CD2 4.35Å
641	H	84.8	Confident	80.2	Confident	111 Å²	111	72.7 Å²	72.7	51%	0.514	41%	0.405	S	S	.	.	H	α-helix	trans	-72.8	-43.2	176.7	-162.5	15.7	0	0	0	111.6	I637 M638 Y639 R644 V645	I637-H641 WeakPolarHBondContact O-CB 3.31Å; I637-H641 PolarHBondContact O-N 3.31Å; M638-H641 PolarHBondContact O-N 3.5Å; M638-H641 VanDerWaalsContact O-N 3.14Å; Y639-H641 VanDerWaalsContact C-N 3.3Å; Y639-H641 PolarHBondContact O-N 3.43Å; H641-R644 PolarHBondContact O-N 3.42Å; H641-V645 WeakPolarHBondContact O-CG2 3.4Å; H641-V645 PolarHBondContact O-N 3.33Å
642	I	84.6	Confident	79	Confident	80 Å²	80	71.9 Å²	71.9	41%	0.41	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-49.5	177.2	-68.7	165.6	0	0	0	110.5	M638 Y639 R644 V645 Q646	M638-I642 VanDerWaalsContact O-CG1 3.27Å; M638-I642 WeakPolarHBondContact O-CG1 3.3Å; M638-I642 PolarHBondContact O-N 2.84Å; Y639-I642 PolarHBondContact O-N 3.07Å; I642-R644 VanDerWaalsContact C-N 3.26Å; I642-R644 PolarHBondContact O-N 3.28Å; I642-V645 PolarHBondContact O-N 2.81Å; I642-V645 VanDerWaalsContact O-N 3.1Å; I642-Q646 HydrophobicContact CG2-CG 4.3Å; I642-Q646 VanDerWaalsContact CG2-OE1 3.27Å; I642-Q646 WeakPolarHBondContact O-CB 3.36Å; I642-Q646 PolarHBondContact O-N 2.75Å
643	T	79.6	Confident	78.2	Confident	23 Å²	23	72.3 Å²	72.3	14%	0.141	40%	0.402	C	S	.	.	H	α-helix	trans	-60.9	-32.8	178.9	48.7	0	0	0	0	112.9	Y639 L640	Y639-T643 HydrophobicContact CD2-CG2 4.4Å; Y639-T643 HydrophobicContact CE1-CG2 4.1Å; Y639-T643 HydrophobicContact CE2-CG2 3.98Å; Y639-T643 WeakPolarHBondContact O-CG2 3.22Å; Y639-T643 PolarHBondContact O-N 3.42Å; Y639-T643 PolarHBondContact O-OG1 3.2Å; L640-T643 WeakPolarHBondContact CA-OG1 3.24Å; L640-T643 PolarHBondContact O-OG1 3.1Å; L640-T643 VanDerWaalsContact O-OG1 3.05Å
644	R	75.1	Confident	77.7	Confident	126 Å²	126	73.8 Å²	73.8	48%	0.475	41%	0.41	S	S	.	.	H	α-helix	trans	-71.8	-37.7	172.9	-78.1	-159.9	-173.5	-168.4	3.6	113.9	E592 T595 L640 H641 I642	E592-R644 VanDerWaalsContact C-NH2 3.29Å; E592-R644 PolarHBondContact O-NH2 3.14Å; T595-R644 PolarHBondContact OG1-NH2 3.28Å; L640-R644 WeakPolarHBondContact O-CG 3.49Å; L640-R644 PolarHBondContact O-N 2.83Å; H641-R644 PolarHBondContact O-N 3.42Å; I642-R644 VanDerWaalsContact C-N 3.26Å; I642-R644 PolarHBondContact O-N 3.28Å
645	V	78.3	Confident	77.2	Confident	101 Å²	101	78.2 Å²	78.2	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-78.3	-38.1	-176.8	173.7	0	0	0	0	111.5	H641 I642 C647	H641-V645 WeakPolarHBondContact O-CG2 3.4Å; H641-V645 PolarHBondContact O-N 3.33Å; I642-V645 PolarHBondContact O-N 2.81Å; I642-V645 VanDerWaalsContact O-N 3.1Å; V645-C647 VanDerWaalsContact C-N 3.29Å; V645-C647 PolarHBondContact O-N 2.71Å
646	Q	72.9	Confident	76.8	Confident	118 Å²	118	78.8 Å²	78.8	55%	0.551	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.5	-177.9	-66.8	178.9	-20	0	0	113.8	I642 F648	I642-Q646 HydrophobicContact CG2-CG 4.3Å; I642-Q646 VanDerWaalsContact CG2-OE1 3.27Å; I642-Q646 WeakPolarHBondContact O-CB 3.36Å; I642-Q646 PolarHBondContact O-N 2.75Å; Q646-F648 HydrophobicContact CB-CD2 3.72Å; Q646-F648 HydrophobicContact CB-CE2 3.66Å; Q646-F648 HydrophobicContact CG-CE2 4.48Å; Q646-F648 PolarHBondContact O-N 3.25Å
647	C	59.6	Low	76.6	Confident	101 Å²	101	79 Å²	79	68%	0.682	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	35.9	173.4	-71.3	0	0	0	0	115.6	V645 P649	V645-C647 VanDerWaalsContact C-N 3.29Å; V645-C647 PolarHBondContact O-N 2.71Å; C647-P649 WeakPolarHBondContact O-CD 3.33Å; C647-P649 VanDerWaalsContact O-N 3.16Å
648	F	61.3	Low	76.5	Confident	129 Å²	129	78.1 Å²	78.1	57%	0.566	42%	0.417	S	S	*	.			trans	-69.7	106.6	173.1	-75.2	-74.5	0	0	0	110.2	Q646 G650 C651	Q646-F648 HydrophobicContact CB-CD2 3.72Å; Q646-F648 HydrophobicContact CB-CE2 3.66Å; Q646-F648 HydrophobicContact CG-CE2 4.48Å; Q646-F648 PolarHBondContact O-N 3.25Å; F648-G650 PolarHBondContact O-N 3.47Å; F648-C651 HydrophobicContact CB-CB 4.01Å
649	P	54.6	Low	76.5	Confident	130 Å²	130	75.2 Å²	75.2	84%	0.844	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	126.6	179.5	-5.8	23.5	0	0	0	108.3	C647	C647-P649 WeakPolarHBondContact O-CD 3.33Å; C647-P649 VanDerWaalsContact O-N 3.16Å
650	G	58.9	Low	76.6	Confident	63 Å²	63	72 Å²	72	65%	0.649	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-2.6	175.6	0	0	0	0	0	116.9	F648 L652 T653	F648-G650 PolarHBondContact O-N 3.47Å; G650-L652 VanDerWaalsContact C-N 3.33Å; G650-L652 PolarHBondContact O-N 3.27Å; G650-T653 WeakPolarHBondContact O-CG2 3.39Å
651	C	57.7	Low	76.9	Confident	47 Å²	47	71.9 Å²	71.9	32%	0.318	40%	0.4	S	S	.	.	S	Bend	trans	-70.8	-23.3	-178.6	-172.7	0	0	0	0	114.1	Y639 F648 I656	Y639-C651 PolarHBondContact OH-SG 2.95Å; F648-C651 HydrophobicContact CB-CB 4.01Å; C651-I656 WeakPolarHBondContact O-CD1 3.49Å
652	L	68.8	Low	77.2	Confident	57 Å²	57	69 Å²	69	30%	0.298	39%	0.388	S	S	.	.	S	Bend	trans	-111.2	61.9	-178.3	-151	84	0	0	0	111.9	F594 Y639 L640 G650 I656 R657	F594-L652 HydrophobicContact CD1-CD2 4.33Å; Y639-L652 HydrophobicContact CE1-CD1 3.97Å; L640-L652 HydrophobicContact CD2-CD1 3.61Å; L640-L652 HydrophobicContact CD2-CD2 3.86Å; L640-L652 HydrophobicContact CD2-CG 4.41Å; G650-L652 VanDerWaalsContact C-N 3.33Å; G650-L652 PolarHBondContact O-N 3.27Å; L652-I656 HydrophobicContact CD1-CG2 4.35Å; L652-R657 HydrophobicContact CD2-CG 3.72Å; L652-R657 HydrophobicContact CG-CG 3.7Å
653	T	78.1	Confident	77.6	Confident	57 Å²	57	69 Å²	69	35%	0.35	39%	0.389	S	S	.	.			trans	-59.6	157.7	176.9	66.3	0	0	0	0	111.6	G650 Q655 I656 R657	G650-T653 WeakPolarHBondContact O-CG2 3.39Å; T653-Q655 PolarHBondContact O-N 3.35Å; T653-Q655 VanDerWaalsContact O-N 3.15Å; T653-I656 PolarHBondContact O-N 3.17Å; T653-I656 VanDerWaalsContact O-N 3.11Å; T653-I656 PolarHBondContact OG1-N 3.43Å; T653-R657 WeakPolarHBondContact O-CG 3.38Å; T653-R657 PolarHBondContact O-N 2.86Å
654	I	81.8	Confident	78.3	Confident	32 Å²	32	68 Å²	68	16%	0.164	38%	0.383	C	S	.	.	H	α-helix	trans	-56.1	-31.4	175.7	-164.3	165.6	0	0	0	112.4	H587 R657 T658	H587-I654 HydrophobicContact CB-CG2 4.14Å; H587-I654 VanDerWaalsContact ND1-CD1 3.29Å; H587-I654 WeakPolarHBondContact ND1-CD1 3.43Å; I654-R657 PolarHBondContact O-N 3.21Å; I654-T658 VanDerWaalsContact O-CB 3.3Å; I654-T658 WeakPolarHBondContact O-CB 3.23Å; I654-T658 PolarHBondContact O-N 3.32Å; I654-T658 PolarHBondContact O-OG1 3.42Å
655	Q	84	Confident	79.1	Confident	154 Å²	154	62 Å²	62	72%	0.72	36%	0.36	S	S	*	.	H	α-helix	trans	-64.2	-48.4	176.3	-68.1	-179.6	-15	0	0	111.5	T653 R657 T658 A659	T653-Q655 PolarHBondContact O-N 3.35Å; T653-Q655 VanDerWaalsContact O-N 3.15Å; Q655-R657 VanDerWaalsContact C-N 3.34Å; Q655-R657 PolarHBondContact O-N 3.15Å; Q655-T658 PolarHBondContact O-N 2.91Å; Q655-A659 WeakPolarHBondContact O-CB 3.3Å; Q655-A659 PolarHBondContact O-N 3.13Å
656	I	85.6	Confident	79.8	Confident	67 Å²	67	60.8 Å²	60.8	34%	0.344	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-42.4	178.3	-66.6	166.6	0	0	0	110.4	C651 L652 T653 T658 A659 L660	C651-I656 WeakPolarHBondContact O-CD1 3.49Å; L652-I656 HydrophobicContact CD1-CG2 4.35Å; T653-I656 PolarHBondContact O-N 3.17Å; T653-I656 VanDerWaalsContact O-N 3.11Å; T653-I656 PolarHBondContact OG1-N 3.43Å; I656-T658 VanDerWaalsContact C-N 3.33Å; I656-T658 PolarHBondContact O-N 3.46Å; I656-A659 PolarHBondContact O-N 3.01Å; I656-L660 WeakPolarHBondContact O-CB 3.34Å; I656-L660 PolarHBondContact O-N 3.33Å
657	R	87.3	Confident	80.7	Confident	11 Å²	11	56.1 Å²	56.1	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-40.6	176.8	-66.3	179.1	59.2	-135.9	-17.6	112.4	D591 F594 L652 T653 I654 Q655 C661 R733	D591-R657 VanDerWaalsContact CG-NH2 3.32Å; D591-R657 IonicContact OD2-CZ 2.98Å; D591-R657 IonicContact OD2-NH2 3Å; D591-R657 PolarHBondContact OD2-NH2 2.83Å; F594-R657 HydrophobicContact CE1-CG 4.43Å; F594-R657 HydrophobicContact CE2-CB 4.14Å; F594-R657 HydrophobicContact CZ-CB 4.14Å; F594-R657 HydrophobicContact CZ-CG 4.36Å; L652-R657 HydrophobicContact CD2-CG 3.72Å; L652-R657 HydrophobicContact CG-CG 3.7Å; T653-R657 WeakPolarHBondContact O-CG 3.38Å; T653-R657 PolarHBondContact O-N 2.86Å; I654-R657 PolarHBondContact O-N 3.21Å; Q655-R657 VanDerWaalsContact C-N 3.34Å; Q655-R657 PolarHBondContact O-N 3.15Å; R657-C661 VanDerWaalsContact O-CB 3.24Å; R657-C661 WeakPolarHBondContact O-CB 3.27Å; R657-C661 PolarHBondContact O-N 3.18Å; R657-R733 PolarHBondContact NH1-O 2.87Å; R657-R733 PolarHBondContact NH2-O 3.5Å
658	T	89.1	Confident	82.2	Confident	19 Å²	19	51.5 Å²	51.5	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-47.3	176.5	-57.3	0	0	0	0	110.1	I654 Q655 I656 L660 C661 L662 V734 P738	I654-T658 VanDerWaalsContact O-CB 3.3Å; I654-T658 WeakPolarHBondContact O-CB 3.23Å; I654-T658 PolarHBondContact O-N 3.32Å; I654-T658 PolarHBondContact O-OG1 3.42Å; Q655-T658 PolarHBondContact O-N 2.91Å; I656-T658 VanDerWaalsContact C-N 3.33Å; I656-T658 PolarHBondContact O-N 3.46Å; T658-L660 PolarHBondContact O-N 3.4Å; T658-C661 WeakPolarHBondContact O-CB 3.48Å; T658-C661 PolarHBondContact O-N 2.98Å; T658-L662 HydrophobicContact CG2-CD1 4.13Å; T658-L662 HydrophobicContact CG2-CG 4.38Å; T658-L662 VanDerWaalsContact O-CG 3.26Å; T658-L662 WeakPolarHBondContact O-CG 3.46Å; T658-L662 PolarHBondContact O-N 3.1Å; T658-V734 HydrophobicContact CG2-CG1 3.97Å; T658-P738 HydrophobicContact CG2-CB 3.97Å; T658-P738 HydrophobicContact CG2-CG 4.02Å
659	A	90.6	Very high	83.6	Confident	57 Å²	57	45.4 Å²	45.4	47%	0.471	27%	0.27	S	S	.	.	H	α-helix	trans	-58.6	-46.1	176.4	0	0	0	0	0	112	Q655 I656 L662 L663	Q655-A659 WeakPolarHBondContact O-CB 3.3Å; Q655-A659 PolarHBondContact O-N 3.13Å; I656-A659 PolarHBondContact O-N 3.01Å; A659-L662 PolarHBondContact O-N 3.29Å; A659-L663 WeakPolarHBondContact O-CB 3.46Å; A659-L663 PolarHBondContact O-N 3.41Å
660	L	90.6	Very high	85.4	Confident	27 Å²	27	41.1 Å²	41.1	14%	0.141	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-42.9	177.9	-159.3	78.8	0	0	0	111.8	F594 F632 C636 L640 I656 T658 L663 I664	F594-L660 HydrophobicContact CE1-CD2 3.62Å; F594-L660 HydrophobicContact CZ-CB 4.23Å; F594-L660 HydrophobicContact CZ-CD2 3.84Å; F632-L660 HydrophobicContact CZ-CD1 4.29Å; C636-L660 HydrophobicContact CB-CD2 4.36Å; L640-L660 HydrophobicContact CD1-CD2 4.35Å; I656-L660 WeakPolarHBondContact O-CB 3.34Å; I656-L660 PolarHBondContact O-N 3.33Å; T658-L660 PolarHBondContact O-N 3.4Å; L660-L663 PolarHBondContact O-N 3.48Å; L660-I664 HydrophobicContact CD2-CD1 4.23Å; L660-I664 HydrophobicContact CG-CD1 3.96Å; L660-I664 WeakPolarHBondContact O-CB 3.44Å; L660-I664 WeakPolarHBondContact O-CG1 3.35Å; L660-I664 PolarHBondContact O-N 2.88Å
661	C	91.5	Very high	86.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-50.4	174.5	174.5	0	0	0	0	111.4	R657 T658 L663 I664 V665 F731 V734	R657-C661 VanDerWaalsContact O-CB 3.24Å; R657-C661 WeakPolarHBondContact O-CB 3.27Å; R657-C661 PolarHBondContact O-N 3.18Å; T658-C661 WeakPolarHBondContact O-CB 3.48Å; T658-C661 PolarHBondContact O-N 2.98Å; C661-L663 VanDerWaalsContact C-N 3.35Å; C661-L663 PolarHBondContact O-N 3.33Å; C661-I664 PolarHBondContact O-N 3.3Å; C661-V665 WeakPolarHBondContact O-CG2 3.38Å; C661-V665 PolarHBondContact O-N 3.26Å; C661-V665 VanDerWaalsContact O-N 3.1Å; C661-F731 HydrophobicContact CB-CD1 4.33Å; C661-F731 HydrophobicContact CB-CD2 4.33Å; C661-F731 HydrophobicContact CB-CG 4.16Å; C661-F731 WeakPolarHBondContact SG-CD2 3.31Å; C661-F731 WeakPolarHBondContact SG-CG 3.15Å; C661-V734 HydrophobicContact CB-CG2 4.13Å
662	L	92	Very high	88.3	Confident	50 Å²	50	36.7 Å²	36.7	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-61.6	-44.1	-179.7	-66.7	175.5	0	0	0	111.1	T658 A659 L666 P738 L742	T658-L662 HydrophobicContact CG2-CD1 4.13Å; T658-L662 HydrophobicContact CG2-CG 4.38Å; T658-L662 VanDerWaalsContact O-CG 3.26Å; T658-L662 WeakPolarHBondContact O-CG 3.46Å; T658-L662 PolarHBondContact O-N 3.1Å; A659-L662 PolarHBondContact O-N 3.29Å; L662-L666 WeakPolarHBondContact O-CB 3.44Å; L662-L666 PolarHBondContact O-N 3.12Å; L662-P738 HydrophobicContact CD1-CB 4.37Å; L662-P738 HydrophobicContact CD2-CB 4.32Å; L662-L742 HydrophobicContact CD2-CB 3.89Å; L662-L742 HydrophobicContact CD2-CD2 3.6Å; L662-L742 HydrophobicContact CD2-CG 4.26Å
663	L	92.8	Very high	89.2	Confident	81 Å²	81	34.5 Å²	34.5	42%	0.424	19%	0.193	S	C	.	.	H	α-helix	trans	-66	-42.4	-179.9	-174.9	59.2	0	0	0	112.4	F632 A659 L660 C661 L667	F632-L663 HydrophobicContact CE1-CD2 4Å; F632-L663 HydrophobicContact CE1-CG 3.96Å; F632-L663 HydrophobicContact CE2-CD2 3.75Å; F632-L663 HydrophobicContact CE2-CG 4.49Å; F632-L663 HydrophobicContact CZ-CD2 3.25Å; F632-L663 HydrophobicContact CZ-CG 3.75Å; A659-L663 WeakPolarHBondContact O-CB 3.46Å; A659-L663 PolarHBondContact O-N 3.41Å; L660-L663 PolarHBondContact O-N 3.48Å; C661-L663 VanDerWaalsContact C-N 3.35Å; C661-L663 PolarHBondContact O-N 3.33Å; L663-L667 VanDerWaalsContact O-CB 3.25Å; L663-L667 WeakPolarHBondContact O-CB 3.47Å; L663-L667 PolarHBondContact O-N 3.01Å
664	I	92.9	Very high	89.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-49.9	176.7	-73.2	168.6	0	0	0	110.9	V598 F632 L633 L660 C661 L667 I668 F731	V598-I664 HydrophobicContact CG1-CD1 4.06Å; V598-I664 HydrophobicContact CG2-CD1 3.86Å; F632-I664 HydrophobicContact CE1-CG1 3.94Å; L633-I664 HydrophobicContact CD2-CB 4.37Å; L633-I664 HydrophobicContact CD2-CD1 4.05Å; L633-I664 HydrophobicContact CD2-CG1 3.82Å; L633-I664 HydrophobicContact CD2-CG2 3.75Å; L660-I664 HydrophobicContact CD2-CD1 4.23Å; L660-I664 HydrophobicContact CG-CD1 3.96Å; L660-I664 WeakPolarHBondContact O-CB 3.44Å; L660-I664 WeakPolarHBondContact O-CG1 3.35Å; L660-I664 PolarHBondContact O-N 2.88Å; C661-I664 PolarHBondContact O-N 3.3Å; I664-L667 PolarHBondContact O-N 3.09Å; I664-I668 HydrophobicContact CG2-CD1 3.96Å; I664-I668 WeakPolarHBondContact O-CG1 3.31Å; I664-I668 PolarHBondContact O-N 3.03Å; I664-F731 HydrophobicContact CB-CZ 4.47Å; I664-F731 HydrophobicContact CD1-CZ 4.16Å; I664-F731 HydrophobicContact CG2-CE2 4.41Å; I664-F731 HydrophobicContact CG2-CZ 4.12Å
665	V	92.4	Very high	89.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-43	-177.8	175.2	0	0	0	0	110.7	C661 L667 I668 Y669 L728 F731 L742 L746	C661-V665 WeakPolarHBondContact O-CG2 3.38Å; C661-V665 PolarHBondContact O-N 3.26Å; C661-V665 VanDerWaalsContact O-N 3.1Å; V665-L667 VanDerWaalsContact C-N 3.28Å; V665-L667 PolarHBondContact O-N 2.87Å; V665-I668 PolarHBondContact O-N 3.29Å; V665-Y669 VanDerWaalsContact O-CB 3.29Å; V665-Y669 WeakPolarHBondContact O-CB 3.5Å; V665-Y669 PolarHBondContact O-N 3.09Å; V665-L728 HydrophobicContact CB-CD1 4.46Å; V665-L728 HydrophobicContact CG1-CB 4.43Å; V665-L728 HydrophobicContact CG1-CD1 4.33Å; V665-L728 HydrophobicContact CG2-CB 4.39Å; V665-L728 HydrophobicContact CG2-CD1 3.92Å; V665-F731 HydrophobicContact CG2-CD2 4.43Å; V665-F731 HydrophobicContact CG2-CE2 4.06Å; V665-L742 HydrophobicContact CB-CD2 4.01Å; V665-L742 HydrophobicContact CG1-CD2 3.86Å; V665-L746 HydrophobicContact CG1-CD1 4.22Å
666	L	93	Very high	89.6	Confident	76 Å²	76	24.1 Å²	24.1	40%	0.398	14%	0.144	S	C	.	.	H	α-helix	trans	-58.8	-41.5	176.1	-176	69.1	0	0	0	111.5	L662 Y669 A670 L746	L662-L666 WeakPolarHBondContact O-CB 3.44Å; L662-L666 PolarHBondContact O-N 3.12Å; L666-Y669 PolarHBondContact O-N 3.37Å; L666-A670 WeakPolarHBondContact O-CB 3.4Å; L666-A670 PolarHBondContact O-N 3.16Å; L666-L746 HydrophobicContact CD1-CD2 3.98Å
667	L	92	Very high	89.5	Confident	19 Å²	19	23.7 Å²	23.7	10%	0.099	14%	0.144	C	C	.	.	H	α-helix	trans	-69.8	-44.2	-178.1	-173.8	57.2	0	0	0	112.5	F628 C629 F632 L663 I664 V665 Y669 A670 V671	F628-L667 HydrophobicContact CD1-CD1 3.8Å; F628-L667 HydrophobicContact CD1-CD2 4.16Å; F628-L667 HydrophobicContact CE1-CD1 3.95Å; F628-L667 HydrophobicContact CE1-CD2 4.07Å; C629-L667 HydrophobicContact CB-CD1 4.41Å; C629-L667 HydrophobicContact CB-CD2 4.03Å; C629-L667 HydrophobicContact CB-CG 3.84Å; F632-L667 HydrophobicContact CB-CD2 3.84Å; F632-L667 HydrophobicContact CD1-CD2 3.67Å; F632-L667 HydrophobicContact CG-CD2 3.91Å; L663-L667 VanDerWaalsContact O-CB 3.25Å; L663-L667 WeakPolarHBondContact O-CB 3.47Å; L663-L667 PolarHBondContact O-N 3.01Å; I664-L667 PolarHBondContact O-N 3.09Å; V665-L667 VanDerWaalsContact C-N 3.28Å; V665-L667 PolarHBondContact O-N 2.87Å; L667-Y669 VanDerWaalsContact C-N 3.29Å; L667-Y669 PolarHBondContact O-N 3.1Å; L667-A670 PolarHBondContact O-N 3.04Å; L667-V671 WeakPolarHBondContact O-CG2 3.49Å; L667-V671 PolarHBondContact O-N 3.11Å; L667-V671 VanDerWaalsContact O-N 3.12Å
668	I	90.9	Very high	89	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-41.8	174.6	-66.5	171.4	0	0	0	110.3	A605 F608 I664 V665 V671 A672 T727	A605-I668 HydrophobicContact CB-CG1 4.41Å; F608-I668 HydrophobicContact CD2-CG2 4.01Å; F608-I668 HydrophobicContact CE2-CG2 3.93Å; I664-I668 HydrophobicContact CG2-CD1 3.96Å; I664-I668 WeakPolarHBondContact O-CG1 3.31Å; I664-I668 PolarHBondContact O-N 3.03Å; V665-I668 PolarHBondContact O-N 3.29Å; I668-V671 PolarHBondContact O-N 2.66Å; I668-A672 PolarHBondContact O-N 2.66Å; I668-T727 HydrophobicContact CD1-CG2 4.11Å; I668-T727 HydrophobicContact CG2-CG2 4.28Å
669	Y	91.7	Very high	88.3	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-39.1	176.9	-172.9	-96	0	0	0	112.6	V665 L666 L667 V671 A672 Q673 C721 T725 L746 L749 Y750	V665-Y669 VanDerWaalsContact O-CB 3.29Å; V665-Y669 WeakPolarHBondContact O-CB 3.5Å; V665-Y669 PolarHBondContact O-N 3.09Å; L666-Y669 PolarHBondContact O-N 3.37Å; L667-Y669 VanDerWaalsContact C-N 3.29Å; L667-Y669 PolarHBondContact O-N 3.1Å; Y669-V671 VanDerWaalsContact C-N 3.32Å; Y669-V671 PolarHBondContact O-N 2.93Å; Y669-A672 PolarHBondContact O-N 3.09Å; Y669-Q673 HydrophobicContact CD1-CG 3.72Å; Y669-Q673 HydrophobicContact CE1-CB 4.5Å; Y669-Q673 HydrophobicContact CE1-CG 3.25Å; Y669-Q673 HydrophobicContact CE2-CG 4.36Å; Y669-Q673 HydrophobicContact CG-CG 4.49Å; Y669-Q673 WeakPolarHBondContact O-CB 3.4Å; Y669-Q673 PolarHBondContact O-N 3.37Å; Y669-Q673 PolarHBondContact OH-NE2 2.82Å; Y669-C721 HydrophobicContact CE2-CB 4.08Å; Y669-T725 HydrophobicContact CD2-CG2 4.01Å; Y669-T725 HydrophobicContact CE2-CG2 3.89Å; Y669-L746 HydrophobicContact CD1-CB 4.49Å; Y669-L746 HydrophobicContact CD1-CD1 4.43Å; Y669-L746 HydrophobicContact CD1-CD2 3.54Å; Y669-L746 HydrophobicContact CD1-CG 4.33Å; Y669-L746 HydrophobicContact CD2-CD1 4.06Å; Y669-L746 HydrophobicContact CE1-CB 4.1Å; Y669-L746 HydrophobicContact CE1-CD2 3.82Å; Y669-L746 HydrophobicContact CE1-CG 4.41Å; Y669-L746 HydrophobicContact CE2-CB 4.22Å; Y669-L746 HydrophobicContact CG-CD1 3.99Å; Y669-L746 HydrophobicContact CG-CD2 3.93Å; Y669-L746 HydrophobicContact CG-CG 4.38Å; Y669-L746 PolarHBondContact OH-O 2.82Å; Y669-L749 HydrophobicContact CE1-CD2 3.97Å; Y669-L749 HydrophobicContact CE1-CG 4.44Å; Y669-Y750 VanDerWaalsContact OH-CB 3.32Å; Y669-Y750 WeakPolarHBondContact OH-CB 3.29Å
670	A	90.8	Very high	87.5	Confident	39 Å²	39	22.3 Å²	22.3	32%	0.322	14%	0.139	S	C	.	.	H	α-helix	trans	-61.7	-39.7	176.5	0	0	0	0	0	111.9	L666 L667 Q673 A674	L666-A670 WeakPolarHBondContact O-CB 3.4Å; L666-A670 PolarHBondContact O-N 3.16Å; L667-A670 PolarHBondContact O-N 3.04Å; A670-Q673 PolarHBondContact O-N 3.47Å; A670-A674 VanDerWaalsContact O-CB 3.28Å; A670-A674 WeakPolarHBondContact O-CB 3.43Å; A670-A674 PolarHBondContact O-N 2.8Å
671	V	89.8	Confident	86.3	Confident	11 Å²	11	22.8 Å²	22.8	7%	0.067	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-47.2	173	176.1	0	0	0	0	110.5	L625 L626 C629 L667 I668 Y669 A674 C675	L625-V671 HydrophobicContact CB-CG2 4.16Å; L626-V671 HydrophobicContact CB-CG1 4.25Å; L626-V671 HydrophobicContact CD1-CG1 4Å; C629-V671 HydrophobicContact CB-CG2 3.91Å; L667-V671 WeakPolarHBondContact O-CG2 3.49Å; L667-V671 PolarHBondContact O-N 3.11Å; L667-V671 VanDerWaalsContact O-N 3.12Å; I668-V671 PolarHBondContact O-N 2.66Å; Y669-V671 VanDerWaalsContact C-N 3.32Å; Y669-V671 PolarHBondContact O-N 2.93Å; V671-A674 PolarHBondContact O-N 3.15Å; V671-C675 PolarHBondContact O-N 2.69Å; V671-C675 PolarHBondContact O-SG 3.15Å
672	A	88.1	Confident	85.2	Confident	6 Å²	6	27.6 Å²	27.6	5%	0.05	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-42.3	178.8	0	0	0	0	0	112.6	I668 Y669 C675 V676 C721	I668-A672 PolarHBondContact O-N 2.66Å; Y669-A672 PolarHBondContact O-N 3.09Å; A672-C675 VanDerWaalsContact O-CB 3.22Å; A672-C675 WeakPolarHBondContact O-CB 3.48Å; A672-C675 PolarHBondContact O-N 2.84Å; A672-V676 PolarHBondContact O-N 3.14Å; A672-C721 HydrophobicContact CB-CB 4.44Å; A672-C721 PolarHBondContact O-SG 3.42Å
673	Q	87.7	Confident	83.5	Confident	11 Å²	11	30.7 Å²	30.7	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-39.2	176.3	-81.2	-65.3	-15.8	0	0	112.5	Y669 A670 C675 V676 V677 C721	Y669-Q673 HydrophobicContact CD1-CG 3.72Å; Y669-Q673 HydrophobicContact CE1-CB 4.5Å; Y669-Q673 HydrophobicContact CE1-CG 3.25Å; Y669-Q673 HydrophobicContact CE2-CG 4.36Å; Y669-Q673 HydrophobicContact CG-CG 4.49Å; Y669-Q673 WeakPolarHBondContact O-CB 3.4Å; Y669-Q673 PolarHBondContact O-N 3.37Å; Y669-Q673 PolarHBondContact OH-NE2 2.82Å; A670-Q673 PolarHBondContact O-N 3.47Å; Q673-C675 PolarHBondContact O-N 2.77Å; Q673-V676 WeakPolarHBondContact O-CA 3.46Å; Q673-V676 WeakPolarHBondContact O-CB 3.17Å; Q673-V676 PolarHBondContact O-N 2.73Å; Q673-V677 WeakPolarHBondContact O-CG2 3.49Å; Q673-V677 PolarHBondContact O-N 3.11Å; Q673-C721 PolarHBondContact NE2-SG 3.38Å
674	A	86.4	Confident	81.5	Confident	17 Å²	17	37.8 Å²	37.8	14%	0.14	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-31.7	174.8	0	0	0	0	0	111.8	V622 L625 A670 V671 V677 G678	V622-A674 HydrophobicContact CG2-CB 3.93Å; V622-A674 WeakPolarHBondContact CG2-O 2.9Å; L625-A674 HydrophobicContact CD1-CB 3.69Å; A670-A674 VanDerWaalsContact O-CB 3.28Å; A670-A674 WeakPolarHBondContact O-CB 3.43Å; A670-A674 PolarHBondContact O-N 2.8Å; V671-A674 PolarHBondContact O-N 3.15Å; A674-V677 PolarHBondContact O-N 3.1Å; A674-G678 PolarHBondContact O-N 3.15Å
675	C	83.4	Confident	79.3	Confident	8 Å²	8	40.4 Å²	40.4	5%	0.054	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-38.5	171.9	-61.8	0	0	0	0	112.7	Y612 I616 V622 V671 A672 Q673 C679	Y612-C675 HydrophobicContact CD2-CB 4.5Å; Y612-C675 VanDerWaalsContact CD2-SG 3.55Å; I616-C675 HydrophobicContact CD1-CB 3.57Å; V622-C675 WeakPolarHBondContact CG1-SG 3.49Å; V671-C675 PolarHBondContact O-N 2.69Å; V671-C675 PolarHBondContact O-SG 3.15Å; A672-C675 VanDerWaalsContact O-CB 3.22Å; A672-C675 WeakPolarHBondContact O-CB 3.48Å; A672-C675 PolarHBondContact O-N 2.84Å; Q673-C675 PolarHBondContact O-N 2.77Å; C675-C679 PolarHBondContact O-N 2.77Å
676	V	84.1	Confident	77.1	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-45.5	174.1	177.9	0	0	0	0	110	A672 Q673 G678 C679 M680 A717 F718 V753	A672-V676 PolarHBondContact O-N 3.14Å; Q673-V676 WeakPolarHBondContact O-CA 3.46Å; Q673-V676 WeakPolarHBondContact O-CB 3.17Å; Q673-V676 PolarHBondContact O-N 2.73Å; V676-G678 VanDerWaalsContact C-N 3.31Å; V676-G678 PolarHBondContact O-N 2.96Å; V676-C679 PolarHBondContact O-N 3.17Å; V676-C679 VanDerWaalsContact O-N 3.09Å; V676-M680 HydrophobicContact CG1-CG 4.39Å; V676-M680 WeakPolarHBondContact O-CG 3.36Å; V676-M680 PolarHBondContact O-N 3.05Å; V676-A717 HydrophobicContact CB-CB 4.4Å; V676-A717 HydrophobicContact CG2-CB 3.73Å; V676-F718 HydrophobicContact CG1-CD1 4.11Å; V676-F718 HydrophobicContact CG1-CE1 3.5Å; V676-F718 VanDerWaalsContact CG1-CE1 3.5Å; V676-F718 HydrophobicContact CG1-CE2 4.35Å; V676-F718 HydrophobicContact CG1-CZ 3.62Å; V676-F718 HydrophobicContact CG2-CD1 4.21Å; V676-F718 HydrophobicContact CG2-CE1 4.41Å; V676-V753 HydrophobicContact CG1-CG1 3.86Å
677	V	82.6	Confident	74.7	Confident	59 Å²	59	45.9 Å²	45.9	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-58.4	-41.6	178.9	165.8	0	0	0	0	112.6	Q673 A674 C679 W682	Q673-V677 WeakPolarHBondContact O-CG2 3.49Å; Q673-V677 PolarHBondContact O-N 3.11Å; A674-V677 PolarHBondContact O-N 3.1Å; V677-C679 VanDerWaalsContact C-N 3.29Å; V677-C679 PolarHBondContact O-N 2.63Å; V677-W682 HydrophobicContact CB-CZ2 3.63Å; V677-W682 HydrophobicContact CG1-CH2 4.46Å; V677-W682 HydrophobicContact CG1-CZ2 3.44Å; V677-W682 VanDerWaalsContact CG1-CZ2 3.44Å; V677-W682 HydrophobicContact CG2-CH2 3.91Å; V677-W682 HydrophobicContact CG2-CZ2 3.47Å; V677-W682 VanDerWaalsContact CG2-CZ2 3.47Å; V677-W682 PolarHBondContact O-NE1 3.38Å
678	G	76.1	Confident	72.3	Confident	44 Å²	44	52.7 Å²	52.7	45%	0.454	31%	0.311	S	S	.	.	H	α-helix	trans	-72.6	-16.6	177.6	0	0	0	0	0	115	A674 V676	A674-G678 PolarHBondContact O-N 3.15Å; V676-G678 VanDerWaalsContact C-N 3.31Å; V676-G678 PolarHBondContact O-N 2.96Å
679	C	74.9	Confident	69.9	Low	2 Å²	2	58 Å²	58	1%	0.014	34%	0.344	C	S	.	.	H	α-helix	trans	-92.6	-13.4	-179.2	-86.5	0	0	0	0	114.2	C675 V676 V677 C711	C675-C679 PolarHBondContact O-N 2.77Å; V676-C679 PolarHBondContact O-N 3.17Å; V676-C679 VanDerWaalsContact O-N 3.09Å; V677-C679 VanDerWaalsContact C-N 3.29Å; V677-C679 PolarHBondContact O-N 2.63Å; C679-C711 HydrophobicContact CB-CB 4.37Å; C679-C711 WeakPolarHBondContact O-CB 3.19Å; C679-C711 PolarHBondContact O-N 3.3Å; C679-C711 PolarHBondContact O-SG 3.47Å; C679-C711 VanDerWaalsContact O-SG 3.42Å
680	M	73.9	Confident	67.5	Low	11 Å²	11	66.4 Å²	66.4	5%	0.054	39%	0.389	C	S	.	.	S	Bend	trans	-111.5	136.5	-168.3	-64.8	-64.9	147.8	0	0	113	V676 W682 P710 A714 F718 F759	V676-M680 HydrophobicContact CG1-CG 4.39Å; V676-M680 WeakPolarHBondContact O-CG 3.36Å; V676-M680 PolarHBondContact O-N 3.05Å; M680-W682 PolarHBondContact O-N 3.39Å; M680-W682 PolarHBondContact O-NE1 3.14Å; M680-P710 HydrophobicContact SD-CB 4.15Å; M680-A714 HydrophobicContact CE-CB 3.2Å; M680-F718 HydrophobicContact CE-CD2 4.46Å; M680-F718 HydrophobicContact CE-CE2 3.64Å; M680-F718 HydrophobicContact CE-CZ 4.22Å; M680-F759 HydrophobicContact CE-CD2 3.99Å; M680-F759 HydrophobicContact CE-CE2 4.45Å; M680-F759 HydrophobicContact SD-CB 4.3Å; M680-F759 HydrophobicContact SD-CD2 3.93Å
681	P	64.6	Low	65.2	Low	38 Å²	38	69.1 Å²	69.1	25%	0.247	41%	0.406	C	S	.	.			trans	-73.1	119.7	165.7	18.7	-13.9	0	0	0	109.5	E708	P681-E708 HydrophobicContact CB-CB 3.91Å; P681-E708 HydrophobicContact CG-CB 4.28Å; P681-E708 WeakPolarHBondContact CG-O 3.42Å
682	W	68.8	Low	63	Low	100 Å²	100	72 Å²	72	38%	0.379	43%	0.426	S	S	.	.			trans	-81.5	135.3	-174	-71.3	81.1	0	0	0	111.7	V677 M680 W684 G685 L756	V677-W682 HydrophobicContact CB-CZ2 3.63Å; V677-W682 HydrophobicContact CG1-CH2 4.46Å; V677-W682 HydrophobicContact CG1-CZ2 3.44Å; V677-W682 VanDerWaalsContact CG1-CZ2 3.44Å; V677-W682 HydrophobicContact CG2-CH2 3.91Å; V677-W682 HydrophobicContact CG2-CZ2 3.47Å; V677-W682 VanDerWaalsContact CG2-CZ2 3.47Å; V677-W682 PolarHBondContact O-NE1 3.38Å; M680-W682 PolarHBondContact O-N 3.39Å; M680-W682 PolarHBondContact O-NE1 3.14Å; W682-W684 PolarHBondContact O-N 3.07Å; W682-G685 PolarHBondContact O-N 3.4Å; W682-G685 VanDerWaalsContact O-N 3.08Å; W682-L756 HydrophobicContact CZ3-CB 4.2Å
683	M	55.8	Low	60.9	Low	115 Å²	115	78.3 Å²	78.3	57%	0.567	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-56	-18.9	177.3	-90.4	179	59.3	0	0	114.1
684	W	50.9	Low	58.8	Low	230 Å²	230	83.5 Å²	83.5	87%	0.871	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-79.6	-13.8	-179.6	-147.1	-66.1	0	0	0	114	W682 S686	W682-W684 PolarHBondContact O-N 3.07Å; W684-S686 PolarHBondContact O-N 3.12Å; W684-S686 VanDerWaalsContact O-N 3.1Å
685	G	48	Very low	56.7	Low	56 Å²	56	89.7 Å²	89.7	58%	0.577	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-69.4	-6.5	-174	0	0	0	0	0	116.1	W682 A687	W682-G685 PolarHBondContact O-N 3.4Å; W682-G685 VanDerWaalsContact O-N 3.08Å; G685-A687 VanDerWaalsContact C-N 3.31Å; G685-A687 PolarHBondContact O-N 3.22Å
686	S	45.1	Very low	54.8	Low	118 Å²	118	96 Å²	96	83%	0.825	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-85.9	16.2	-171.2	-166.1	0	0	0	0	115.5	W684	W684-S686 PolarHBondContact O-N 3.12Å; W684-S686 VanDerWaalsContact O-N 3.1Å
687	A	42.6	Very low	52.6	Low	74 Å²	74	101.3 Å²	101.3	61%	0.612	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-105.8	-14.4	-174.2	0	0	0	0	0	117	G685	G685-A687 VanDerWaalsContact C-N 3.31Å; G685-A687 PolarHBondContact O-N 3.22Å
688	N	41.8	Very low	51.1	Low	161 Å²	161	105 Å²	105	86%	0.861	60%	0.596	S	S	*	*	S	Bend	trans	-166.1	25.7	178	-111.9	-8.9	0	0	0	121.7
689	T	40.1	Very low	49.7	Very low	116 Å²	116	110.1 Å²	110.1	71%	0.712	61%	0.613	S	S	*	*			trans	-137.3	117.4	171	46.7	0	0	0	0	113.1	S691	T689-S691 VanDerWaalsContact C-N 3.27Å; T689-S691 PolarHBondContact O-N 3.06Å
690	N	42.5	Very low	48.3	Very low	179 Å²	179	120.1 Å²	120.1	96%	0.957	65%	0.651	S	S	*	*			trans	-67.5	72.8	175.6	-72.8	-20.3	0	0	0	112.2
691	S	43	Very low	46.8	Very low	96 Å²	96	124 Å²	124	67%	0.671	69%	0.694	S	S	*	*			trans	-129.7	62.6	166.5	53	0	0	0	0	110.1	T689	T689-S691 VanDerWaalsContact C-N 3.27Å; T689-S691 PolarHBondContact O-N 3.06Å
692	S	41.9	Very low	45.5	Very low	72 Å²	72	125.8 Å²	125.8	50%	0.503	71%	0.711	S	S	.	*			trans	-82.6	120.7	160.2	47.3	0	0	0	0	108.5	I694	S692-I694 PolarHBondContact O-N 3.4Å
693	I	44.3	Very low	44.1	Very low	137 Å²	137	128.7 Å²	128.7	70%	0.703	73%	0.734	S	S	*	*			trans	-69.3	113.9	171.8	-67.4	172.2	0	0	0	107.6	I695	I693-I695 HydrophobicContact CG2-CG1 4.28Å
694	I	43.2	Very low	43.2	Very low	121 Å²	121	133.7 Å²	133.7	62%	0.621	75%	0.747	S	S	*	*			trans	-94.3	115.2	173.7	-57.6	173	0	0	0	107.5	S692 I696	S692-I694 PolarHBondContact O-N 3.4Å; I694-I696 HydrophobicContact CG2-CG1 4.42Å
695	I	43.2	Very low	42.6	Very low	147 Å²	147	128.4 Å²	128.4	75%	0.754	74%	0.74	S	S	*	*			trans	-94.8	118.4	166.4	-58.6	177.2	0	0	0	107	I693 D697	I693-I695 HydrophobicContact CG2-CG1 4.28Å; I695-D697 PolarHBondContact O-N 3.45Å
696	I	42.5	Very low	42.1	Very low	141 Å²	141	133 Å²	133	72%	0.723	75%	0.748	S	S	*	*			trans	-82.2	107.5	170.9	-57.7	173.5	0	0	0	106.9	I694	I694-I696 HydrophobicContact CG2-CG1 4.42Å
697	D	38.8	Very low	42.2	Very low	110 Å²	110	131.3 Å²	131.3	59%	0.588	74%	0.742	S	S	*	*			trans	-79.4	118.2	167.2	-167.9	15.8	0	0	0	108.3	I695 D699	I695-D697 PolarHBondContact O-N 3.45Å; D697-D699 PolarHBondContact O-N 3.05Å
698	V	51.6	Low	42.6	Very low	136 Å²	136	134.7 Å²	134.7	82%	0.824	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-10.2	-171.7	174.5	0	0	0	0	112.4
699	D	45.8	Very low	43.2	Very low	152 Å²	152	133.2 Å²	133.2	81%	0.813	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-2.5	-172.9	-120.6	6.5	0	0	0	116	D697	D697-D699 PolarHBondContact O-N 3.05Å
700	R	46.5	Very low	44.2	Very low	213 Å²	213	129.5 Å²	129.5	80%	0.804	71%	0.714	S	S	*	*	S	Bend	trans	-159.1	111.6	170	-109.6	171.1	-169.1	-174.4	2.8	110.9	A702	R700-A702 PolarHBondContact O-N 3.2Å
701	G	42	Very low	45.3	Very low	93 Å²	93	123.4 Å²	123.4	96%	0.959	69%	0.685	S	S	*	*			trans	-62.9	86.5	179.5	0	0	0	0	0	114.1
702	A	37.8	Very low	46.4	Very low	74 Å²	74	125.4 Å²	125.4	61%	0.612	69%	0.688	S	S	*	*			trans	-140.9	113.5	167.4	0	0	0	0	0	111.2	R700 R704	R700-A702 PolarHBondContact O-N 3.2Å; A702-R704 PolarHBondContact O-N 2.96Å
703	N	38.3	Very low	47.9	Very low	162 Å²	162	122.1 Å²	122.1	87%	0.866	67%	0.666	S	S	*	*			trans	-72.6	110.3	173.5	-67.4	-18.2	0	0	0	109.9
704	R	36.5	Very low	49.5	Very low	219 Å²	219	115.9 Å²	115.9	83%	0.826	64%	0.635	S	S	*	*			trans	-112.9	119.6	168.7	-75	-174.2	174.8	170	-0.2	110.5	A702	A702-R704 PolarHBondContact O-N 2.96Å
705	T	38.4	Very low	51.3	Low	120 Å²	120	114.4 Å²	114.4	74%	0.736	62%	0.621	S	S	*	*			trans	-80.2	114.6	166.3	40.5	0	0	0	0	108.9
706	M	39.3	Very low	53.3	Low	151 Å²	151	107.7 Å²	107.7	74%	0.744	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-97.8	136.4	168.9	-69.5	-154.7	95.6	0	0	110.3
707	A	46.9	Very low	55.3	Low	84 Å²	84	101 Å²	101	69%	0.694	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-63	144.2	166	0	0	0	0	0	109.9	L709	A707-L709 PolarHBondContact O-N 3.35Å
708	E	49.9	Very low	57.6	Low	145 Å²	145	96 Å²	96	68%	0.678	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-48.2	124	174.4	-101.1	176	157.8	0	0	110.8	P681	P681-E708 HydrophobicContact CB-CB 3.91Å; P681-E708 HydrophobicContact CG-CB 4.28Å; P681-E708 WeakPolarHBondContact CG-O 3.42Å
709	L	55.7	Low	59.3	Low	130 Å²	130	90.3 Å²	90.3	68%	0.681	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-73.4	144.8	176.7	-92.2	83.6	0	0	0	110.5	A707	A707-L709 PolarHBondContact O-N 3.35Å
710	P	60.9	Low	61.3	Low	37 Å²	37	83.4 Å²	83.4	24%	0.24	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-59.4	145.1	172.6	23.4	-31.1	0	0	0	111.6	M680	M680-P710 HydrophobicContact SD-CB 4.15Å
711	C	65.8	Low	63.3	Low	52 Å²	52	73.3 Å²	73.3	35%	0.351	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-58.6	145.8	179.3	-68	0	0	0	0	111.5	C679 G713 A714	C679-C711 HydrophobicContact CB-CB 4.37Å; C679-C711 WeakPolarHBondContact O-CB 3.19Å; C679-C711 PolarHBondContact O-N 3.3Å; C679-C711 PolarHBondContact O-SG 3.47Å; C679-C711 VanDerWaalsContact O-SG 3.42Å; C711-G713 PolarHBondContact O-N 2.98Å; C711-A714 VanDerWaalsContact O-CB 3.28Å; C711-A714 WeakPolarHBondContact O-CB 3.45Å; C711-A714 PolarHBondContact O-N 2.93Å
712	D	65.3	Low	65.5	Low	138 Å²	138	68.9 Å²	68.9	74%	0.738	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-21.2	175.4	-95.6	-38.9	0	0	0	113.7	K193	K193-D712 IonicContact NZ-OD1 2.92Å; K193-D712 PolarHBondContact NZ-OD1 3.44Å; K193-D712 IonicContact NZ-OD2 2.66Å; K193-D712 PolarHBondContact NZ-OD2 3.49Å
713	G	73.3	Confident	67.9	Low	3 Å²	3	65.4 Å²	65.4	3%	0.031	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.5	-179.9	0	0	0	0	0	116.6	I615 C711 R715 Y716 A717	I615-G713 VanDerWaalsContact CG2-CA 3.44Å; C711-G713 PolarHBondContact O-N 2.98Å; G713-R715 PolarHBondContact O-N 2.85Å; G713-Y716 PolarHBondContact O-N 2.91Å; G713-A717 PolarHBondContact O-N 3.48Å
714	A	78.4	Confident	70.2	Confident	6 Å²	6	57.7 Å²	57.7	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-46.4	-50.5	-175.6	0	0	0	0	0	115.2	M680 C711 Y716 A717 F718 F759	M680-A714 HydrophobicContact CE-CB 3.2Å; C711-A714 VanDerWaalsContact O-CB 3.28Å; C711-A714 WeakPolarHBondContact O-CB 3.45Å; C711-A714 PolarHBondContact O-N 2.93Å; A714-Y716 PolarHBondContact O-N 3.45Å; A714-A717 WeakPolarHBondContact O-CB 3.38Å; A714-A717 PolarHBondContact O-N 3.34Å; A714-F718 VanDerWaalsContact O-CD2 3.23Å; A714-F718 WeakPolarHBondContact O-CD2 3.5Å; A714-F718 PolarHBondContact O-N 3.16Å; A714-F759 HydrophobicContact CB-CD2 4.46Å; A714-F759 HydrophobicContact CB-CE2 3.92Å
715	R	81.4	Confident	72.7	Confident	89 Å²	89	47.4 Å²	47.4	34%	0.336	26%	0.262	S	S	.	.	H	α-helix	trans	-69.7	-33.7	-175.2	-65.7	179.8	-178	172.9	10	112.7	S142 E144 G713 A717 F718 L719 F759	S142-R715 PolarHBondContact OG-NH1 2.81Å; E144-R715 HydrophobicContact CG-CB 4.19Å; E144-R715 VanDerWaalsContact OE1-CD 3.31Å; E144-R715 WeakPolarHBondContact OE1-CD 3.32Å; E144-R715 IonicContact OE1-CZ 3.84Å; E144-R715 IonicContact OE1-NE 2.63Å; E144-R715 IonicContact OE1-NH1 3.76Å; E144-R715 PolarHBondContact OE1-NH1 3.38Å; G713-R715 PolarHBondContact O-N 2.85Å; R715-A717 VanDerWaalsContact C-N 3.34Å; R715-F718 PolarHBondContact O-N 3.09Å; R715-L719 WeakPolarHBondContact O-CB 3.39Å; R715-L719 PolarHBondContact O-N 2.88Å; R715-F759 HydrophobicContact CG-CZ 4.21Å
716	Y	84.6	Confident	75.1	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.027	23%	0.227	C	C	.	.	H	α-helix	trans	-69.5	-31.8	174.6	-75.5	-81.6	0	0	0	112.4	E144 T197 A200 N201 L204 I615 G713 A714 S720	E144-Y716 HydrophobicContact CB-CE2 4.06Å; T197-Y716 HydrophobicContact CG2-CE2 4.32Å; A200-Y716 HydrophobicContact CB-CD1 4.33Å; A200-Y716 HydrophobicContact CB-CE1 4.21Å; N201-Y716 VanDerWaalsContact OD1-CE1 3.31Å; N201-Y716 WeakPolarHBondContact OD1-CE1 3.42Å; N201-Y716 PolarHBondContact OD1-OH 3.21Å; L204-Y716 HydrophobicContact CD1-CD1 4.04Å; L204-Y716 HydrophobicContact CD1-CE1 4.39Å; I615-Y716 HydrophobicContact CD1-CD1 3.99Å; I615-Y716 HydrophobicContact CD1-CD2 4.05Å; I615-Y716 HydrophobicContact CD1-CE1 4.42Å; I615-Y716 HydrophobicContact CD1-CE2 4.5Å; I615-Y716 HydrophobicContact CD1-CG 3.79Å; G713-Y716 PolarHBondContact O-N 2.91Å; A714-Y716 PolarHBondContact O-N 3.45Å; Y716-S720 WeakPolarHBondContact O-CB 3.36Å; Y716-S720 PolarHBondContact O-N 2.6Å; Y716-S720 PolarHBondContact O-OG 3.02Å
717	A	84.9	Confident	77.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.1	-46.3	174.2	0	0	0	0	0	111.4	I616 V676 G713 A714 R715 L719 S720 C721	I616-A717 HydrophobicContact CD1-CB 3.95Å; V676-A717 HydrophobicContact CB-CB 4.4Å; V676-A717 HydrophobicContact CG2-CB 3.73Å; G713-A717 PolarHBondContact O-N 3.48Å; A714-A717 WeakPolarHBondContact O-CB 3.38Å; A714-A717 PolarHBondContact O-N 3.34Å; R715-A717 VanDerWaalsContact C-N 3.34Å; A717-L719 PolarHBondContact O-N 3.23Å; A717-S720 WeakPolarHBondContact O-CB 3.22Å; A717-S720 PolarHBondContact O-N 2.84Å; A717-C721 PolarHBondContact O-N 2.95Å; A717-C721 VanDerWaalsContact O-N 3.17Å
718	F	86.4	Confident	79.5	Confident	5 Å²	5	30.5 Å²	30.5	2%	0.022	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-43.3	174.3	-77.6	-59.5	0	0	0	112.6	V676 M680 A714 R715 S720 C721 V722 Y750 L754 F759	V676-F718 HydrophobicContact CG1-CD1 4.11Å; V676-F718 HydrophobicContact CG1-CE1 3.5Å; V676-F718 VanDerWaalsContact CG1-CE1 3.5Å; V676-F718 HydrophobicContact CG1-CE2 4.35Å; V676-F718 HydrophobicContact CG1-CZ 3.62Å; V676-F718 HydrophobicContact CG2-CD1 4.21Å; V676-F718 HydrophobicContact CG2-CE1 4.41Å; M680-F718 HydrophobicContact CE-CD2 4.46Å; M680-F718 HydrophobicContact CE-CE2 3.64Å; M680-F718 HydrophobicContact CE-CZ 4.22Å; A714-F718 VanDerWaalsContact O-CD2 3.23Å; A714-F718 WeakPolarHBondContact O-CD2 3.5Å; A714-F718 PolarHBondContact O-N 3.16Å; R715-F718 PolarHBondContact O-N 3.09Å; F718-S720 VanDerWaalsContact C-N 3.31Å; F718-S720 PolarHBondContact O-N 2.92Å; F718-C721 WeakPolarHBondContact O-CB 3.35Å; F718-C721 PolarHBondContact O-N 3.3Å; F718-V722 PolarHBondContact O-N 3.23Å; F718-Y750 WeakPolarHBondContact CB-OH 3.42Å; F718-Y750 HydrophobicContact CD1-CE1 4.3Å; F718-Y750 AromaticContact CD1-CE2 3.88Å; F718-Y750 HydrophobicContact CD1-CE2 3.88Å; F718-Y750 AromaticContact CD1-CZ 3.65Å; F718-L754 HydrophobicContact CD1-CD1 4.29Å; F718-L754 HydrophobicContact CE1-CB 4.15Å; F718-L754 HydrophobicContact CE1-CD1 3.54Å; F718-L754 HydrophobicContact CE1-CG 4.44Å; F718-L754 HydrophobicContact CE2-CD1 3.82Å; F718-L754 HydrophobicContact CZ-CB 4.47Å; F718-L754 HydrophobicContact CZ-CD1 3.29Å; F718-L754 HydrophobicContact CZ-CG 4.46Å; F718-F759 HydrophobicContact CE2-CD1 4.29Å; F718-F759 HydrophobicContact CE2-CD2 4.15Å; F718-F759 HydrophobicContact CE2-CE2 4.39Å; F718-F759 HydrophobicContact CE2-CG 4.1Å
719	L	87.5	Confident	81.4	Confident	16 Å²	16	23.8 Å²	23.8	8%	0.084	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-36.7	176.2	-169.5	59.5	0	0	0	112.3	V147 W148 I151 L204 R715 A717 C721 V722 V723	V147-L719 HydrophobicContact CB-CD2 3.92Å; V147-L719 HydrophobicContact CG1-CD2 3.48Å; V147-L719 VanDerWaalsContact CG1-CD2 3.48Å; W148-L719 HydrophobicContact CB-CD1 3.65Å; I151-L719 HydrophobicContact CD1-CD1 4.08Å; I151-L719 HydrophobicContact CD1-CD2 4.21Å; I151-L719 HydrophobicContact CD1-CG 4.24Å; L204-L719 HydrophobicContact CD1-CD2 3.54Å; L204-L719 HydrophobicContact CD1-CG 4.12Å; R715-L719 WeakPolarHBondContact O-CB 3.39Å; R715-L719 PolarHBondContact O-N 2.88Å; A717-L719 PolarHBondContact O-N 3.23Å; L719-C721 VanDerWaalsContact C-N 3.31Å; L719-C721 PolarHBondContact O-N 3.35Å; L719-V722 WeakPolarHBondContact O-CB 3.46Å; L719-V722 PolarHBondContact O-N 3.21Å; L719-V723 WeakPolarHBondContact O-CG2 3.34Å; L719-V723 PolarHBondContact O-N 3.46Å
720	S	87.6	Confident	83.1	Confident	8 Å²	8	17.6 Å²	17.6	6%	0.056	10%	0.095	C	C	.	.	H	α-helix	trans	-63.3	-35.8	175.5	-60.1	0	0	0	0	112.1	Y716 A717 F718 G724	Y716-S720 WeakPolarHBondContact O-CB 3.36Å; Y716-S720 PolarHBondContact O-N 2.6Å; Y716-S720 PolarHBondContact O-OG 3.02Å; A717-S720 WeakPolarHBondContact O-CB 3.22Å; A717-S720 PolarHBondContact O-N 2.84Å; F718-S720 VanDerWaalsContact C-N 3.31Å; F718-S720 PolarHBondContact O-N 2.92Å; S720-G724 PolarHBondContact O-N 2.95Å
721	C	88.6	Confident	84.5	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.7	-42.7	172	-69.8	0	0	0	0	112.2	Y669 A672 Q673 A717 F718 L719 G724 T725 Y750	Y669-C721 HydrophobicContact CE2-CB 4.08Å; A672-C721 HydrophobicContact CB-CB 4.44Å; A672-C721 PolarHBondContact O-SG 3.42Å; Q673-C721 PolarHBondContact NE2-SG 3.38Å; A717-C721 PolarHBondContact O-N 2.95Å; A717-C721 VanDerWaalsContact O-N 3.17Å; F718-C721 WeakPolarHBondContact O-CB 3.35Å; F718-C721 PolarHBondContact O-N 3.3Å; L719-C721 VanDerWaalsContact C-N 3.31Å; L719-C721 PolarHBondContact O-N 3.35Å; C721-G724 PolarHBondContact O-N 3.31Å; C721-T725 PolarHBondContact O-N 2.62Å; C721-Y750 HydrophobicContact CB-CD2 3.88Å; C721-Y750 HydrophobicContact CB-CE2 3.76Å
722	V	88.7	Confident	85.5	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-48.4	177	175.8	0	0	0	0	110.7	F718 L719 G724 T725 Y750 F782	F718-V722 PolarHBondContact O-N 3.23Å; L719-V722 WeakPolarHBondContact O-CB 3.46Å; L719-V722 PolarHBondContact O-N 3.21Å; V722-G724 VanDerWaalsContact C-N 3.28Å; V722-G724 PolarHBondContact O-N 2.91Å; V722-T725 PolarHBondContact O-N 3.35Å; V722-T725 VanDerWaalsContact O-N 3.14Å; V722-T725 PolarHBondContact O-OG1 2.89Å; V722-Y750 HydrophobicContact CG2-CE2 4.31Å; V722-F782 HydrophobicContact CG1-CB 3.9Å; V722-F782 HydrophobicContact CG1-CD1 3.82Å; V722-F782 HydrophobicContact CG1-CD2 3.32Å; V722-F782 HydrophobicContact CG1-CE1 4.12Å; V722-F782 HydrophobicContact CG1-CE2 3.64Å; V722-F782 HydrophobicContact CG1-CG 3.39Å; V722-F782 HydrophobicContact CG1-CZ 4.02Å
723	V	87.9	Confident	86.4	Confident	2 Å²	2	10.3 Å²	10.3	1%	0.012	5%	0.045	C	C	.	.	H	α-helix	trans	-65.4	-32.9	176.3	-173.6	0	0	0	0	111.2	I151 L204 F608 L719 T725 L726	I151-V723 HydrophobicContact CD1-CG2 3.95Å; I151-V723 HydrophobicContact CG2-CG2 4.27Å; L204-V723 HydrophobicContact CD2-CG2 4.11Å; F608-V723 HydrophobicContact CE1-CB 3.85Å; F608-V723 HydrophobicContact CE1-CG1 3.66Å; F608-V723 HydrophobicContact CZ-CB 3.88Å; F608-V723 HydrophobicContact CZ-CG1 3.55Å; L719-V723 WeakPolarHBondContact O-CG2 3.34Å; L719-V723 PolarHBondContact O-N 3.46Å; V723-T725 PolarHBondContact O-N 2.93Å; V723-L726 HydrophobicContact CB-CD1 4.4Å; V723-L726 HydrophobicContact CG1-CD1 4.01Å; V723-L726 VanDerWaalsContact O-CB 3.25Å; V723-L726 WeakPolarHBondContact O-CB 3.28Å; V723-L726 PolarHBondContact O-N 3.29Å
724	G	87.1	Confident	87	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-56.3	-36.5	172.8	0	0	0	0	0	113.1	S720 C721 V722 L726 T727	S720-G724 PolarHBondContact O-N 2.95Å; C721-G724 PolarHBondContact O-N 3.31Å; V722-G724 VanDerWaalsContact C-N 3.28Å; V722-G724 PolarHBondContact O-N 2.91Å; G724-L726 VanDerWaalsContact C-N 3.28Å; G724-L726 PolarHBondContact O-N 3.18Å; G724-T727 WeakPolarHBondContact O-CG2 3.44Å; G724-T727 PolarHBondContact O-N 2.94Å; G724-T727 PolarHBondContact O-OG1 3.4Å
725	T	88.4	Confident	87.5	Confident	2 Å²	2	11.4 Å²	11.4	1%	0.012	5%	0.052	C	C	.	.	H	α-helix	trans	-68.3	-23.1	175.4	69.8	0	0	0	0	113.9	Y669 C721 V722 V723 T727 L728 M743 L746 L786	Y669-T725 HydrophobicContact CD2-CG2 4.01Å; Y669-T725 HydrophobicContact CE2-CG2 3.89Å; C721-T725 PolarHBondContact O-N 2.62Å; V722-T725 PolarHBondContact O-N 3.35Å; V722-T725 VanDerWaalsContact O-N 3.14Å; V722-T725 PolarHBondContact O-OG1 2.89Å; V723-T725 PolarHBondContact O-N 2.93Å; T725-T727 PolarHBondContact O-N 3.38Å; T725-L728 WeakPolarHBondContact O-CB 3.46Å; T725-L728 PolarHBondContact O-N 3.32Å; T725-M743 HydrophobicContact CG2-CE 4.42Å; T725-L746 HydrophobicContact CG2-CD1 4.41Å; T725-L786 WeakPolarHBondContact OG1-CD1 3.44Å
726	L	88.3	Confident	87.9	Confident	1 Å²	1	8.8 Å²	8.8	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-65.9	-22.3	177.4	-65	171.7	0	0	0	112.8	I151 F155 V208 V723 G724 L728 A729 F782 L786	I151-L726 HydrophobicContact CG2-CD1 4.18Å; F155-L726 HydrophobicContact CB-CD2 4.5Å; F155-L726 HydrophobicContact CD1-CD2 4.17Å; F155-L726 HydrophobicContact CD2-CD2 3.73Å; F155-L726 HydrophobicContact CE1-CD2 4.35Å; F155-L726 HydrophobicContact CE2-CD2 3.92Å; F155-L726 HydrophobicContact CG-CD2 3.86Å; F155-L726 HydrophobicContact CZ-CD2 4.23Å; V208-L726 HydrophobicContact CB-CD1 4.45Å; V208-L726 HydrophobicContact CG2-CD1 4.09Å; V723-L726 HydrophobicContact CB-CD1 4.4Å; V723-L726 HydrophobicContact CG1-CD1 4.01Å; V723-L726 VanDerWaalsContact O-CB 3.25Å; V723-L726 WeakPolarHBondContact O-CB 3.28Å; V723-L726 PolarHBondContact O-N 3.29Å; G724-L726 VanDerWaalsContact C-N 3.28Å; G724-L726 PolarHBondContact O-N 3.18Å; L726-L728 PolarHBondContact O-N 3.25Å; L726-L728 VanDerWaalsContact O-N 3.1Å; L726-A729 WeakPolarHBondContact O-CB 3.46Å; L726-A729 PolarHBondContact O-N 2.94Å; L726-F782 HydrophobicContact CD1-CE1 4.32Å; L726-F782 HydrophobicContact CD2-CD1 4.01Å; L726-F782 HydrophobicContact CD2-CE1 4.03Å; L726-F782 HydrophobicContact CG-CE1 4.46Å; L726-L786 HydrophobicContact CD2-CD1 4.12Å; L726-L786 HydrophobicContact CD2-CD2 4.08Å; L726-L786 HydrophobicContact CD2-CG 4.25Å
727	T	88.9	Confident	88.2	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.5	176.7	61.2	0	0	0	0	112.7	L604 I668 G724 T725 A729 L730	L604-T727 HydrophobicContact CD1-CG2 3.98Å; I668-T727 HydrophobicContact CD1-CG2 4.11Å; I668-T727 HydrophobicContact CG2-CG2 4.28Å; G724-T727 WeakPolarHBondContact O-CG2 3.44Å; G724-T727 PolarHBondContact O-N 2.94Å; G724-T727 PolarHBondContact O-OG1 3.4Å; T725-T727 PolarHBondContact O-N 3.38Å; T727-A729 VanDerWaalsContact C-N 3.28Å; T727-A729 PolarHBondContact O-N 3.07Å; T727-L730 WeakPolarHBondContact O-CB 3.23Å; T727-L730 WeakPolarHBondContact O-CG 3Å; T727-L730 PolarHBondContact O-N 3.43Å
728	L	90.8	Very high	88.5	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-64.6	-29.5	174.6	-166.2	66.7	0	0	0	113.1	V665 T725 L726 L730 K739 L742 M743	V665-L728 HydrophobicContact CB-CD1 4.46Å; V665-L728 HydrophobicContact CG1-CB 4.43Å; V665-L728 HydrophobicContact CG1-CD1 4.33Å; V665-L728 HydrophobicContact CG2-CB 4.39Å; V665-L728 HydrophobicContact CG2-CD1 3.92Å; T725-L728 WeakPolarHBondContact O-CB 3.46Å; T725-L728 PolarHBondContact O-N 3.32Å; L726-L728 PolarHBondContact O-N 3.25Å; L726-L728 VanDerWaalsContact O-N 3.1Å; L728-L730 PolarHBondContact O-N 2.93Å; L728-K739 HydrophobicContact CD1-CB 4.43Å; L728-K739 HydrophobicContact CD1-CG 3.96Å; L728-K739 HydrophobicContact CD2-CB 3.87Å; L728-K739 HydrophobicContact CD2-CG 4.21Å; L728-K739 HydrophobicContact CG-CB 4.31Å; L728-K739 HydrophobicContact CG-CD 4.36Å; L728-K739 HydrophobicContact CG-CG 4.09Å; L728-L742 HydrophobicContact CD1-CD2 4.14Å; L728-M743 HydrophobicContact CD2-CG 3.38Å; L728-M743 HydrophobicContact CD2-SD 3.49Å; L728-M743 WeakPolarHBondContact CD2-SD 3.47Å
729	A	89.9	Confident	88.8	Confident	3 Å²	3	13.5 Å²	13.5	3%	0.025	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-69.5	-20.8	179.8	0	0	0	0	0	112.9	F155 V215 L726 T727 F731 L786	F155-A729 HydrophobicContact CE2-CB 4.04Å; F155-A729 HydrophobicContact CZ-CB 4.1Å; V215-A729 HydrophobicContact CG2-CB 4.06Å; V215-A729 WeakPolarHBondContact CG2-O 3.32Å; L726-A729 WeakPolarHBondContact O-CB 3.46Å; L726-A729 PolarHBondContact O-N 2.94Å; T727-A729 VanDerWaalsContact C-N 3.28Å; T727-A729 PolarHBondContact O-N 3.07Å; A729-F731 VanDerWaalsContact C-N 3.26Å; A729-F731 PolarHBondContact O-N 3.49Å; A729-L786 HydrophobicContact CB-CD2 4.02Å
730	L	90.8	Very high	89	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-69.9	-21.6	-177.5	-55.8	-177.7	0	0	0	113.5	F214 V215 A597 L600 L604 T727 L728 L732	F214-L730 HydrophobicContact CD1-CD2 3.92Å; V215-L730 HydrophobicContact CG2-CD2 4.12Å; A597-L730 HydrophobicContact CB-CB 4.2Å; A597-L730 WeakPolarHBondContact CB-O 3.37Å; L600-L730 HydrophobicContact CB-CD1 4.22Å; L600-L730 HydrophobicContact CD2-CD1 4.08Å; L600-L730 HydrophobicContact CD2-CD2 3.78Å; L600-L730 HydrophobicContact CG-CD1 4.22Å; L604-L730 HydrophobicContact CD1-CD1 3.75Å; T727-L730 WeakPolarHBondContact O-CB 3.23Å; T727-L730 WeakPolarHBondContact O-CG 3Å; T727-L730 PolarHBondContact O-N 3.43Å; L728-L730 PolarHBondContact O-N 2.93Å; L730-L732 VanDerWaalsContact O-CD1 3.31Å; L730-L732 WeakPolarHBondContact O-CD1 3.46Å; L730-L732 PolarHBondContact O-N 3.39Å
731	F	91.1	Very high	89.3	Confident	1 Å²	1	18 Å²	18	0%	0.004	10%	0.101	C	C	.	.			trans	-96.1	92.9	-175.7	-61.9	-77	0	0	0	110.8	F594 A597 V598 C661 I664 V665 A729 V734 K739	F594-F731 AromaticContact CD2-CD1 3.89Å; F594-F731 HydrophobicContact CD2-CD1 3.89Å; F594-F731 HydrophobicContact CD2-CE1 4.32Å; F594-F731 AromaticContact CE2-CD1 3.56Å; F594-F731 HydrophobicContact CE2-CD1 3.56Å; F594-F731 AromaticContact CE2-CE1 3.85Å; F594-F731 HydrophobicContact CE2-CE1 3.85Å; F594-F731 HydrophobicContact CZ-CD1 4.45Å; F594-F731 HydrophobicContact CZ-CE1 4.33Å; A597-F731 HydrophobicContact CB-CD1 3.99Å; A597-F731 HydrophobicContact CB-CE1 3.99Å; V598-F731 HydrophobicContact CG2-CE1 4.05Å; C661-F731 HydrophobicContact CB-CD1 4.33Å; C661-F731 HydrophobicContact CB-CD2 4.33Å; C661-F731 HydrophobicContact CB-CG 4.16Å; C661-F731 WeakPolarHBondContact SG-CD2 3.31Å; C661-F731 WeakPolarHBondContact SG-CG 3.15Å; I664-F731 HydrophobicContact CB-CZ 4.47Å; I664-F731 HydrophobicContact CD1-CZ 4.16Å; I664-F731 HydrophobicContact CG2-CE2 4.41Å; I664-F731 HydrophobicContact CG2-CZ 4.12Å; V665-F731 HydrophobicContact CG2-CD2 4.43Å; V665-F731 HydrophobicContact CG2-CE2 4.06Å; A729-F731 VanDerWaalsContact C-N 3.26Å; A729-F731 PolarHBondContact O-N 3.49Å; F731-V734 HydrophobicContact CB-CG2 4.26Å; F731-K739 WeakPolarHBondContact O-CE 3.34Å; F731-K739 PolarHBondContact O-NZ 2.96Å
732	L	84.8	Confident	89.5	Confident	6 Å²	6	18.7 Å²	18.7	3%	0.031	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-55.7	-172	-75.7	73.3	0	0	0	113.2	L218 L730 V734 L793 L797	L218-L732 HydrophobicContact CB-CD1 3.92Å; L218-L732 HydrophobicContact CB-CD2 3.69Å; L218-L732 HydrophobicContact CB-CG 4.47Å; L218-L732 HydrophobicContact CD1-CD1 3.52Å; L218-L732 HydrophobicContact CG-CD1 4.4Å; L730-L732 VanDerWaalsContact O-CD1 3.31Å; L730-L732 WeakPolarHBondContact O-CD1 3.46Å; L730-L732 PolarHBondContact O-N 3.39Å; L732-V734 VanDerWaalsContact C-N 3.31Å; L732-V734 PolarHBondContact O-N 3.36Å; L732-V734 VanDerWaalsContact O-N 3.15Å; L732-L793 HydrophobicContact CB-CD2 4.3Å; L732-L793 HydrophobicContact CD2-CD1 4.49Å; L732-L793 HydrophobicContact CG-CD1 4.44Å; L732-L793 HydrophobicContact CG-CD2 4.08Å; L732-L797 HydrophobicContact CB-CD1 4.15Å
733	R	84.6	Confident	89.7	Confident	66 Å²	66	18.8 Å²	18.8	25%	0.249	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	50	-172.6	-63.4	-178.2	173.4	-168.4	0.5	114.1	V589 P590 D591 R657 L797	V589-R733 PolarHBondContact O-NH1 3.09Å; P590-R733 PolarHBondContact O-NH1 2.81Å; D591-R733 HydrophobicContact CB-CB 4.41Å; D591-R733 WeakPolarHBondContact OD2-CB 3.39Å; R657-R733 PolarHBondContact NH1-O 2.87Å; R657-R733 PolarHBondContact NH2-O 3.5Å; R733-L797 HydrophobicContact CG-CD1 4.07Å
734	V	86.8	Confident	89.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-120.8	133.4	168.2	173.3	0	0	0	0	107	T658 C661 F731 L732 K739	T658-V734 HydrophobicContact CG2-CG1 3.97Å; C661-V734 HydrophobicContact CB-CG2 4.13Å; F731-V734 HydrophobicContact CB-CG2 4.26Å; L732-V734 VanDerWaalsContact C-N 3.31Å; L732-V734 PolarHBondContact O-N 3.36Å; L732-V734 VanDerWaalsContact O-N 3.15Å; V734-K739 HydrophobicContact CG1-CG 4.29Å; V734-K739 WeakPolarHBondContact O-CE 3.36Å; V734-K739 PolarHBondContact O-NZ 3.11Å
735	S	88.6	Confident	90.2	Very high	33 Å²	33	29.6 Å²	29.6	23%	0.231	16%	0.162	C	C	.	.			trans	-57.5	148.8	-176.5	53.7	0	0	0	0	111.7	L737 P738	S735-L737 VanDerWaalsContact C-N 3.31Å; S735-L737 PolarHBondContact O-N 3.29Å; S735-P738 WeakPolarHBondContact O-CD 3.01Å; S735-P738 WeakPolarHBondContact OG-CD 3.45Å; S735-P738 WeakPolarHBondContact OG-CG 3.3Å
736	W	90.6	Very high	90.4	Very high	34 Å²	34	29.6 Å²	29.6	13%	0.129	16%	0.161	C	C	.	.	H	α-helix	trans	-70.2	-26.6	-175.6	81.1	-76.3	0	0	0	113.1	L573 L575 K739 M740 R791 D794	L573-W736 WeakPolarHBondContact O-CZ2 3.41Å; L573-W736 PolarHBondContact O-NE1 3.43Å; L575-W736 HydrophobicContact CD1-CG 4.38Å; W736-K739 WeakPolarHBondContact O-CB 3.3Å; W736-K739 PolarHBondContact O-N 3.32Å; W736-M740 HydrophobicContact CD2-CG 4.37Å; W736-M740 HydrophobicContact CE3-CB 4.45Å; W736-M740 HydrophobicContact CE3-CG 3.28Å; W736-M740 HydrophobicContact CE3-SD 4.25Å; W736-M740 HydrophobicContact CZ3-CB 4.44Å; W736-M740 HydrophobicContact CZ3-CG 3.43Å; W736-M740 VanDerWaalsContact CZ3-CG 3.43Å; W736-M740 HydrophobicContact CZ3-SD 4.31Å; W736-M740 VanDerWaalsContact O-CG 3.3Å; W736-M740 WeakPolarHBondContact O-CG 3.29Å; W736-M740 PolarHBondContact O-N 3.36Å; W736-R791 HydrophobicContact CD2-CB 4.24Å; W736-R791 HydrophobicContact CD2-CG 4.15Å; W736-R791 HydrophobicContact CE3-CB 4.01Å; W736-R791 HydrophobicContact CE3-CG 4.2Å; W736-R791 HydrophobicContact CG-CB 4.44Å; W736-R791 HydrophobicContact CG-CG 4.46Å; W736-D794 HydrophobicContact CB-CB 4.27Å; W736-D794 PolarHBondContact N-OD2 3.01Å; W736-D794 VanDerWaalsContact N-OD2 3.13Å
737	L	90.8	Very high	90.6	Very high	73 Å²	73	30 Å²	30	38%	0.382	17%	0.166	S	C	.	.	H	α-helix	trans	-62.9	-53.8	-177.6	-76.1	174.9	0	0	0	113.9	T574 S735 K739 M740 A741	T574-L737 HydrophobicContact CG2-CD1 4.13Å; S735-L737 VanDerWaalsContact C-N 3.31Å; S735-L737 PolarHBondContact O-N 3.29Å; L737-K739 PolarHBondContact O-N 3.28Å; L737-M740 PolarHBondContact O-N 2.93Å; L737-M740 VanDerWaalsContact O-N 3.15Å; L737-A741 PolarHBondContact O-N 2.92Å
738	P	91.3	Very high	90.7	Very high	35 Å²	35	33.9 Å²	33.9	23%	0.227	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-35.7	174.2	-24.3	33.5	0	0	0	113	T658 L662 S735 A741 L742	T658-P738 HydrophobicContact CG2-CB 3.97Å; T658-P738 HydrophobicContact CG2-CG 4.02Å; L662-P738 HydrophobicContact CD1-CB 4.37Å; L662-P738 HydrophobicContact CD2-CB 4.32Å; S735-P738 WeakPolarHBondContact O-CD 3.01Å; S735-P738 WeakPolarHBondContact OG-CD 3.45Å; S735-P738 WeakPolarHBondContact OG-CG 3.3Å; P738-A741 PolarHBondContact O-N 2.91Å; P738-L742 WeakPolarHBondContact O-CB 3.46Å; P738-L742 PolarHBondContact O-N 3.25Å
739	K	91.9	Very high	90.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-45.1	174.7	-69.1	179.6	176	161.6	0	111.1	L728 F731 V734 W736 L737 L742 M743	L728-K739 HydrophobicContact CD1-CB 4.43Å; L728-K739 HydrophobicContact CD1-CG 3.96Å; L728-K739 HydrophobicContact CD2-CB 3.87Å; L728-K739 HydrophobicContact CD2-CG 4.21Å; L728-K739 HydrophobicContact CG-CB 4.31Å; L728-K739 HydrophobicContact CG-CD 4.36Å; L728-K739 HydrophobicContact CG-CG 4.09Å; F731-K739 WeakPolarHBondContact O-CE 3.34Å; F731-K739 PolarHBondContact O-NZ 2.96Å; V734-K739 HydrophobicContact CG1-CG 4.29Å; V734-K739 WeakPolarHBondContact O-CE 3.36Å; V734-K739 PolarHBondContact O-NZ 3.11Å; W736-K739 WeakPolarHBondContact O-CB 3.3Å; W736-K739 PolarHBondContact O-N 3.32Å; L737-K739 PolarHBondContact O-N 3.28Å; K739-L742 PolarHBondContact O-N 2.98Å; K739-M743 WeakPolarHBondContact O-CB 2.97Å; K739-M743 VanDerWaalsContact O-CG 3.24Å; K739-M743 WeakPolarHBondContact O-CG 3.47Å; K739-M743 PolarHBondContact O-N 3.42Å
740	M	92.4	Very high	90.8	Very high	55 Å²	55	37.3 Å²	37.3	27%	0.271	21%	0.207	S	C	.	.	H	α-helix	trans	-65.6	-43.9	177.8	-73.3	-56.4	-63	0	0	113	W736 L737 L742 M743 L744 A787	W736-M740 HydrophobicContact CD2-CG 4.37Å; W736-M740 HydrophobicContact CE3-CB 4.45Å; W736-M740 HydrophobicContact CE3-CG 3.28Å; W736-M740 HydrophobicContact CE3-SD 4.25Å; W736-M740 HydrophobicContact CZ3-CB 4.44Å; W736-M740 HydrophobicContact CZ3-CG 3.43Å; W736-M740 VanDerWaalsContact CZ3-CG 3.43Å; W736-M740 HydrophobicContact CZ3-SD 4.31Å; W736-M740 VanDerWaalsContact O-CG 3.3Å; W736-M740 WeakPolarHBondContact O-CG 3.29Å; W736-M740 PolarHBondContact O-N 3.36Å; L737-M740 PolarHBondContact O-N 2.93Å; L737-M740 VanDerWaalsContact O-N 3.15Å; M740-L742 VanDerWaalsContact C-N 3.3Å; M740-L742 PolarHBondContact O-N 2.73Å; M740-M743 PolarHBondContact O-N 3.06Å; M740-L744 WeakPolarHBondContact O-CB 3.27Å; M740-L744 PolarHBondContact O-N 3.39Å; M740-A787 HydrophobicContact CE-CB 3.53Å; M740-A787 VanDerWaalsContact SD-CA 3.59Å; M740-A787 HydrophobicContact SD-CB 3.27Å; M740-A787 WeakPolarHBondContact SD-CB 3.26Å
741	A	92.9	Very high	90.7	Very high	64 Å²	64	40 Å²	40	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-59.8	-43.4	176.1	0	0	0	0	0	111.1	L737 P738 L744 L745	L737-A741 PolarHBondContact O-N 2.92Å; P738-A741 PolarHBondContact O-N 2.91Å; A741-L744 PolarHBondContact O-N 3.49Å; A741-L745 WeakPolarHBondContact O-CB 3.39Å; A741-L745 PolarHBondContact O-N 3.41Å
742	L	93.1	Very high	90.6	Very high	14 Å²	14	42.7 Å²	42.7	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-48.3	174.6	-177	63.1	0	0	0	111.4	L662 V665 L728 P738 K739 M740 L744 L745 L746	L662-L742 HydrophobicContact CD2-CB 3.89Å; L662-L742 HydrophobicContact CD2-CD2 3.6Å; L662-L742 HydrophobicContact CD2-CG 4.26Å; V665-L742 HydrophobicContact CB-CD2 4.01Å; V665-L742 HydrophobicContact CG1-CD2 3.86Å; L728-L742 HydrophobicContact CD1-CD2 4.14Å; P738-L742 WeakPolarHBondContact O-CB 3.46Å; P738-L742 PolarHBondContact O-N 3.25Å; K739-L742 PolarHBondContact O-N 2.98Å; M740-L742 VanDerWaalsContact C-N 3.3Å; M740-L742 PolarHBondContact O-N 2.73Å; L742-L744 VanDerWaalsContact C-N 3.29Å; L742-L744 PolarHBondContact O-N 3.12Å; L742-L745 HydrophobicContact CD1-CD2 4.5Å; L742-L745 WeakPolarHBondContact O-CB 3.29Å; L742-L745 PolarHBondContact O-N 3.29Å; L742-L745 VanDerWaalsContact O-N 3.12Å; L742-L746 HydrophobicContact CD1-CD1 4.34Å; L742-L746 HydrophobicContact CD1-CD2 4.05Å; L742-L746 HydrophobicContact CD1-CG 4.02Å; L742-L746 HydrophobicContact CG-CD1 4.1Å; L742-L746 HydrophobicContact CG-CG 4.14Å; L742-L746 VanDerWaalsContact O-CG 3.28Å; L742-L746 WeakPolarHBondContact O-CG 3.08Å; L742-L746 PolarHBondContact O-N 2.98Å
743	M	91.9	Very high	90.7	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-38.7	179	-73.7	-60.9	-65.3	0	0	112.8	T725 L728 K739 M740 G747 V783 L786	T725-M743 HydrophobicContact CG2-CE 4.42Å; L728-M743 HydrophobicContact CD2-CG 3.38Å; L728-M743 HydrophobicContact CD2-SD 3.49Å; L728-M743 WeakPolarHBondContact CD2-SD 3.47Å; K739-M743 WeakPolarHBondContact O-CB 2.97Å; K739-M743 VanDerWaalsContact O-CG 3.24Å; K739-M743 WeakPolarHBondContact O-CG 3.47Å; K739-M743 PolarHBondContact O-N 3.42Å; M740-M743 PolarHBondContact O-N 3.06Å; M743-G747 PolarHBondContact O-N 3.17Å; M743-V783 HydrophobicContact CB-CG1 4.42Å; M743-V783 HydrophobicContact CE-CB 4.17Å; M743-V783 HydrophobicContact CE-CG1 4.26Å; M743-V783 HydrophobicContact CE-CG2 3.8Å; M743-L786 HydrophobicContact CE-CB 4.04Å; M743-L786 HydrophobicContact CE-CD1 3.54Å; M743-L786 HydrophobicContact CE-CG 4.45Å; M743-L786 HydrophobicContact SD-CD1 4.39Å
744	L	93	Very high	90.7	Very high	124 Å²	124	40.2 Å²	40.2	65%	0.649	23%	0.23	S	C	*	.	H	α-helix	trans	-64.1	-47	174.1	-176.5	68.5	0	0	0	111.1	M740 A741 L742 G747 V748	M740-L744 WeakPolarHBondContact O-CB 3.27Å; M740-L744 PolarHBondContact O-N 3.39Å; A741-L744 PolarHBondContact O-N 3.49Å; L742-L744 VanDerWaalsContact C-N 3.29Å; L742-L744 PolarHBondContact O-N 3.12Å; L744-G747 PolarHBondContact O-N 3.25Å; L744-V748 WeakPolarHBondContact O-CG2 3.46Å; L744-V748 PolarHBondContact O-N 2.73Å
745	L	93.7	Very high	90.5	Very high	105 Å²	105	43.3 Å²	43.3	55%	0.55	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-49.1	177.2	178.7	69.2	0	0	0	111.7	A741 L742 G747 V748 L749	A741-L745 WeakPolarHBondContact O-CB 3.39Å; A741-L745 PolarHBondContact O-N 3.41Å; L742-L745 HydrophobicContact CD1-CD2 4.5Å; L742-L745 WeakPolarHBondContact O-CB 3.29Å; L742-L745 PolarHBondContact O-N 3.29Å; L742-L745 VanDerWaalsContact O-N 3.12Å; L745-G747 VanDerWaalsContact C-N 3.3Å; L745-G747 PolarHBondContact O-N 3.06Å; L745-V748 PolarHBondContact O-N 2.84Å; L745-L749 WeakPolarHBondContact O-CB 3.03Å; L745-L749 PolarHBondContact O-N 2.97Å
746	L	92.3	Very high	90.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-38.5	178.9	-61.1	-172.2	0	0	0	111.2	V665 L666 Y669 T725 L742 L749 Y750	V665-L746 HydrophobicContact CG1-CD1 4.22Å; L666-L746 HydrophobicContact CD1-CD2 3.98Å; Y669-L746 HydrophobicContact CD1-CB 4.49Å; Y669-L746 HydrophobicContact CD1-CD1 4.43Å; Y669-L746 HydrophobicContact CD1-CD2 3.54Å; Y669-L746 HydrophobicContact CD1-CG 4.33Å; Y669-L746 HydrophobicContact CD2-CD1 4.06Å; Y669-L746 HydrophobicContact CE1-CB 4.1Å; Y669-L746 HydrophobicContact CE1-CD2 3.82Å; Y669-L746 HydrophobicContact CE1-CG 4.41Å; Y669-L746 HydrophobicContact CE2-CB 4.22Å; Y669-L746 HydrophobicContact CG-CD1 3.99Å; Y669-L746 HydrophobicContact CG-CD2 3.93Å; Y669-L746 HydrophobicContact CG-CG 4.38Å; Y669-L746 PolarHBondContact OH-O 2.82Å; T725-L746 HydrophobicContact CG2-CD1 4.41Å; L742-L746 HydrophobicContact CD1-CD1 4.34Å; L742-L746 HydrophobicContact CD1-CD2 4.05Å; L742-L746 HydrophobicContact CD1-CG 4.02Å; L742-L746 HydrophobicContact CG-CD1 4.1Å; L742-L746 HydrophobicContact CG-CG 4.14Å; L742-L746 VanDerWaalsContact O-CG 3.28Å; L742-L746 WeakPolarHBondContact O-CG 3.08Å; L742-L746 PolarHBondContact O-N 2.98Å; L746-L749 PolarHBondContact O-N 3.03Å; L746-Y750 WeakPolarHBondContact O-CB 3.23Å; L746-Y750 PolarHBondContact O-N 2.97Å
747	G	91.5	Very high	89.6	Confident	9 Å²	9	44.7 Å²	44.7	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-44.3	177.2	0	0	0	0	0	113.3	M743 L744 L745 L749 Y750 I751	M743-G747 PolarHBondContact O-N 3.17Å; L744-G747 PolarHBondContact O-N 3.25Å; L745-G747 VanDerWaalsContact C-N 3.3Å; L745-G747 PolarHBondContact O-N 3.06Å; G747-L749 VanDerWaalsContact C-N 3.34Å; G747-L749 PolarHBondContact O-N 3.38Å; G747-Y750 WeakPolarHBondContact O-CB 3.31Å; G747-Y750 PolarHBondContact O-N 2.64Å; G747-I751 WeakPolarHBondContact O-CG1 3.21Å; G747-I751 PolarHBondContact O-N 3.4Å; G747-I751 VanDerWaalsContact O-N 3.07Å
748	V	92.6	Very high	88.7	Confident	83 Å²	83	41.6 Å²	41.6	50%	0.503	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-45.8	173.7	172.2	0	0	0	0	110.3	L744 L745 Y750 I751 T752	L744-V748 WeakPolarHBondContact O-CG2 3.46Å; L744-V748 PolarHBondContact O-N 2.73Å; L745-V748 PolarHBondContact O-N 2.84Å; V748-Y750 VanDerWaalsContact C-N 3.3Å; V748-Y750 PolarHBondContact O-N 3.34Å; V748-I751 PolarHBondContact O-N 2.94Å; V748-T752 HydrophobicContact CG1-CG2 4.31Å; V748-T752 WeakPolarHBondContact O-CG2 3.4Å; V748-T752 PolarHBondContact O-N 3.42Å; V748-T752 PolarHBondContact O-OG1 2.9Å
749	L	91.4	Very high	88	Confident	74 Å²	74	40.5 Å²	40.5	39%	0.387	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-37.5	177.2	-178.3	59.7	0	0	0	112.4	Y669 L745 L746 G747 T752 V753	Y669-L749 HydrophobicContact CE1-CD2 3.97Å; Y669-L749 HydrophobicContact CE1-CG 4.44Å; L745-L749 WeakPolarHBondContact O-CB 3.03Å; L745-L749 PolarHBondContact O-N 2.97Å; L746-L749 PolarHBondContact O-N 3.03Å; G747-L749 VanDerWaalsContact C-N 3.34Å; G747-L749 PolarHBondContact O-N 3.38Å; L749-T752 WeakPolarHBondContact CA-OG1 3.28Å; L749-T752 PolarHBondContact O-OG1 2.84Å; L749-V753 HydrophobicContact CD1-CG2 4.16Å; L749-V753 WeakPolarHBondContact O-CB 3.48Å; L749-V753 VanDerWaalsContact O-CG2 3.25Å; L749-V753 WeakPolarHBondContact O-CG2 3.49Å; L749-V753 PolarHBondContact O-N 2.95Å; L749-V753 VanDerWaalsContact O-N 3.08Å
750	Y	90.6	Very high	87.2	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-48.7	175.3	-172.8	-84.9	0	0	0	111.7	Y669 F718 C721 V722 L746 G747 V748 V753 L754 P775 L779	Y669-Y750 VanDerWaalsContact OH-CB 3.32Å; Y669-Y750 WeakPolarHBondContact OH-CB 3.29Å; F718-Y750 WeakPolarHBondContact CB-OH 3.42Å; F718-Y750 HydrophobicContact CD1-CE1 4.3Å; F718-Y750 AromaticContact CD1-CE2 3.88Å; F718-Y750 HydrophobicContact CD1-CE2 3.88Å; F718-Y750 AromaticContact CD1-CZ 3.65Å; C721-Y750 HydrophobicContact CB-CD2 3.88Å; C721-Y750 HydrophobicContact CB-CE2 3.76Å; V722-Y750 HydrophobicContact CG2-CE2 4.31Å; L746-Y750 WeakPolarHBondContact O-CB 3.23Å; L746-Y750 PolarHBondContact O-N 2.97Å; G747-Y750 WeakPolarHBondContact O-CB 3.31Å; G747-Y750 PolarHBondContact O-N 2.64Å; V748-Y750 VanDerWaalsContact C-N 3.3Å; V748-Y750 PolarHBondContact O-N 3.34Å; Y750-V753 PolarHBondContact O-N 3.3Å; Y750-L754 WeakPolarHBondContact O-CB 3.1Å; Y750-L754 PolarHBondContact O-N 3.1Å; Y750-P775 HydrophobicContact CE1-CB 4.33Å; Y750-L779 HydrophobicContact CD1-CB 4.34Å; Y750-L779 HydrophobicContact CD1-CD1 4.33Å; Y750-L779 HydrophobicContact CD1-CD2 3.57Å; Y750-L779 HydrophobicContact CD1-CG 4.29Å; Y750-L779 HydrophobicContact CD2-CD1 4.25Å; Y750-L779 HydrophobicContact CE1-CB 4.21Å; Y750-L779 HydrophobicContact CE1-CD2 4.26Å; Y750-L779 HydrophobicContact CG-CD1 4.05Å; Y750-L779 HydrophobicContact CG-CD2 3.85Å; Y750-L779 HydrophobicContact CG-CG 4.45Å
751	I	89.4	Confident	86.1	Confident	56 Å²	56	48 Å²	48	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-42.1	-177.1	-65.3	167.7	0	0	0	110.1	G747 V748 L754 E755 L779	G747-I751 WeakPolarHBondContact O-CG1 3.21Å; G747-I751 PolarHBondContact O-N 3.4Å; G747-I751 VanDerWaalsContact O-N 3.07Å; V748-I751 PolarHBondContact O-N 2.94Å; I751-L754 PolarHBondContact O-N 3.36Å; I751-E755 HydrophobicContact CG2-CG 4.33Å; I751-E755 WeakPolarHBondContact O-CG 3.12Å; I751-E755 PolarHBondContact O-N 3.32Å; I751-L779 HydrophobicContact CD1-CD2 4.23Å; I751-L779 HydrophobicContact CG1-CD2 3.92Å
752	T	88.6	Confident	84.7	Confident	59 Å²	59	48.4 Å²	48.4	36%	0.362	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-47.1	177.6	55.6	0	0	0	0	111.4	V748 L749 L754 E755 L756	V748-T752 HydrophobicContact CG1-CG2 4.31Å; V748-T752 WeakPolarHBondContact O-CG2 3.4Å; V748-T752 PolarHBondContact O-N 3.42Å; V748-T752 PolarHBondContact O-OG1 2.9Å; L749-T752 WeakPolarHBondContact CA-OG1 3.28Å; L749-T752 PolarHBondContact O-OG1 2.84Å; T752-L754 VanDerWaalsContact C-N 3.3Å; T752-L754 PolarHBondContact O-N 3.45Å; T752-E755 PolarHBondContact O-N 3.03Å; T752-L756 WeakPolarHBondContact O-CB 3.33Å; T752-L756 WeakPolarHBondContact O-CD1 3.45Å; T752-L756 PolarHBondContact O-N 2.67Å
753	V	86.9	Confident	83.2	Confident	17 Å²	17	49.9 Å²	49.9	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-42.4	176.7	172.2	0	0	0	0	111.2	V676 L749 Y750 S757	V676-V753 HydrophobicContact CG1-CG1 3.86Å; L749-V753 HydrophobicContact CD1-CG2 4.16Å; L749-V753 WeakPolarHBondContact O-CB 3.48Å; L749-V753 VanDerWaalsContact O-CG2 3.25Å; L749-V753 WeakPolarHBondContact O-CG2 3.49Å; L749-V753 PolarHBondContact O-N 2.95Å; L749-V753 VanDerWaalsContact O-N 3.08Å; Y750-V753 PolarHBondContact O-N 3.3Å; V753-S757 VanDerWaalsContact O-CB 3.25Å; V753-S757 WeakPolarHBondContact O-CB 3.29Å; V753-S757 PolarHBondContact O-N 3.46Å; V753-S757 PolarHBondContact O-OG 2.97Å
754	L	84.3	Confident	81.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-46.1	176.6	-178.2	71.7	0	0	0	112.2	F718 Y750 I751 T752 S757 F759 P775 I776	F718-L754 HydrophobicContact CD1-CD1 4.29Å; F718-L754 HydrophobicContact CE1-CB 4.15Å; F718-L754 HydrophobicContact CE1-CD1 3.54Å; F718-L754 HydrophobicContact CE1-CG 4.44Å; F718-L754 HydrophobicContact CE2-CD1 3.82Å; F718-L754 HydrophobicContact CZ-CB 4.47Å; F718-L754 HydrophobicContact CZ-CD1 3.29Å; F718-L754 HydrophobicContact CZ-CG 4.46Å; Y750-L754 WeakPolarHBondContact O-CB 3.1Å; Y750-L754 PolarHBondContact O-N 3.1Å; I751-L754 PolarHBondContact O-N 3.36Å; T752-L754 VanDerWaalsContact C-N 3.3Å; T752-L754 PolarHBondContact O-N 3.45Å; L754-S757 PolarHBondContact O-OG 2.92Å; L754-F759 HydrophobicContact CD1-CB 4.23Å; L754-F759 HydrophobicContact CD1-CD1 3.81Å; L754-F759 HydrophobicContact CD1-CG 4.3Å; L754-P775 HydrophobicContact CD1-CB 4.49Å; L754-P775 HydrophobicContact CD2-CB 4.26Å; L754-I776 HydrophobicContact CD2-CD1 3.85Å; L754-I776 HydrophobicContact CD2-CG1 3.37Å
755	E	83.6	Confident	79.4	Confident	65 Å²	65	48.2 Å²	48.2	30%	0.304	28%	0.282	S	S	.	.	H	α-helix	trans	-68.4	-43	179.7	-69.5	-66	148.7	0	0	112.6	I751 T752 S757 G758 R760	I751-E755 HydrophobicContact CG2-CG 4.33Å; I751-E755 WeakPolarHBondContact O-CG 3.12Å; I751-E755 PolarHBondContact O-N 3.32Å; T752-E755 PolarHBondContact O-N 3.03Å; E755-S757 VanDerWaalsContact C-N 3.32Å; E755-S757 PolarHBondContact O-N 3.24Å; E755-G758 PolarHBondContact O-N 3.43Å; E755-R760 VanDerWaalsContact CD-NH1 3.25Å; E755-R760 IonicContact OE1-CZ 3.68Å; E755-R760 IonicContact OE1-NH1 3.39Å; E755-R760 PolarHBondContact OE1-NH1 3.26Å; E755-R760 IonicContact OE1-NH2 2.69Å; E755-R760 IonicContact OE2-CZ 3.38Å; E755-R760 IonicContact OE2-NE 3.85Å; E755-R760 IonicContact OE2-NH1 3.03Å; E755-R760 PolarHBondContact OE2-NH1 3.01Å; E755-R760 IonicContact OE2-NH2 2.76Å; E755-R760 PolarHBondContact OE2-NH2 3.49Å
756	L	83.1	Confident	77.5	Confident	93 Å²	93	45.5 Å²	45.5	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-68.4	-29.2	178.8	-86.3	95.2	0	0	0	113	W682 T752 G758	W682-L756 HydrophobicContact CZ3-CB 4.2Å; T752-L756 WeakPolarHBondContact O-CB 3.33Å; T752-L756 WeakPolarHBondContact O-CD1 3.45Å; T752-L756 PolarHBondContact O-N 2.67Å; L756-G758 PolarHBondContact O-N 2.98Å
757	S	76.8	Confident	75.5	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.021	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.3	179.5	71.7	0	0	0	0	114.2	V753 L754 E755 F759	V753-S757 VanDerWaalsContact O-CB 3.25Å; V753-S757 WeakPolarHBondContact O-CB 3.29Å; V753-S757 PolarHBondContact O-N 3.46Å; V753-S757 PolarHBondContact O-OG 2.97Å; L754-S757 PolarHBondContact O-OG 2.92Å; E755-S757 VanDerWaalsContact C-N 3.32Å; E755-S757 PolarHBondContact O-N 3.24Å; S757-F759 PolarHBondContact O-N 3.48Å; S757-F759 VanDerWaalsContact O-N 3.08Å; S757-F759 VanDerWaalsContact OG-CB 3.32Å; S757-F759 WeakPolarHBondContact OG-CB 3.33Å; S757-F759 PolarHBondContact OG-N 3Å
758	G	71.9	Confident	73.7	Confident	9 Å²	9	58.5 Å²	58.5	9%	0.093	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	3.9	-174.8	0	0	0	0	0	114.6	E755 L756 R760 K761 T762	E755-G758 PolarHBondContact O-N 3.43Å; L756-G758 PolarHBondContact O-N 2.98Å; G758-R760 PolarHBondContact O-N 2.87Å; G758-R760 VanDerWaalsContact O-N 3.16Å; G758-K761 WeakPolarHBondContact O-CB 3.49Å; G758-K761 PolarHBondContact O-N 3.15Å; G758-T762 PolarHBondContact O-N 3.01Å; G758-T762 VanDerWaalsContact O-N 3.14Å; G758-T762 PolarHBondContact O-OG1 3.1Å
759	F	76.7	Confident	72.2	Confident	12 Å²	12	60.1 Å²	60.1	5%	0.053	35%	0.347	C	S	.	.	H	α-helix	trans	-52.4	-39.5	-177.8	-179.1	-97.6	0	0	0	112.9	M680 A714 R715 F718 L754 S757 K761 T762 A763 P775	M680-F759 HydrophobicContact CE-CD2 3.99Å; M680-F759 HydrophobicContact CE-CE2 4.45Å; M680-F759 HydrophobicContact SD-CB 4.3Å; M680-F759 HydrophobicContact SD-CD2 3.93Å; A714-F759 HydrophobicContact CB-CD2 4.46Å; A714-F759 HydrophobicContact CB-CE2 3.92Å; R715-F759 HydrophobicContact CG-CZ 4.21Å; F718-F759 HydrophobicContact CE2-CD1 4.29Å; F718-F759 HydrophobicContact CE2-CD2 4.15Å; F718-F759 HydrophobicContact CE2-CE2 4.39Å; F718-F759 HydrophobicContact CE2-CG 4.1Å; L754-F759 HydrophobicContact CD1-CB 4.23Å; L754-F759 HydrophobicContact CD1-CD1 3.81Å; L754-F759 HydrophobicContact CD1-CG 4.3Å; S757-F759 PolarHBondContact O-N 3.48Å; S757-F759 VanDerWaalsContact O-N 3.08Å; S757-F759 VanDerWaalsContact OG-CB 3.32Å; S757-F759 WeakPolarHBondContact OG-CB 3.33Å; S757-F759 PolarHBondContact OG-N 3Å; F759-K761 VanDerWaalsContact C-N 3.34Å; F759-K761 PolarHBondContact O-N 3.47Å; F759-T762 WeakPolarHBondContact CA-OG1 3.47Å; F759-T762 PolarHBondContact O-N 2.97Å; F759-T762 PolarHBondContact O-OG1 3.33Å; F759-T762 VanDerWaalsContact O-OG1 3.11Å; F759-A763 HydrophobicContact CD1-CB 4.46Å; F759-A763 HydrophobicContact CE1-CB 4.2Å; F759-A763 HydrophobicContact CZ-CB 4.28Å; F759-A763 WeakPolarHBondContact O-CB 3.43Å; F759-A763 PolarHBondContact O-N 3.4Å; F759-P775 HydrophobicContact CE1-CG 4.27Å
760	R	73.8	Confident	71	Confident	71 Å²	71	59 Å²	59	27%	0.268	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-36.6	177.3	-170.5	179.6	65.1	-157.1	-7.8	112.8	E755 G758	E755-R760 VanDerWaalsContact CD-NH1 3.25Å; E755-R760 IonicContact OE1-CZ 3.68Å; E755-R760 IonicContact OE1-NH1 3.39Å; E755-R760 PolarHBondContact OE1-NH1 3.26Å; E755-R760 IonicContact OE1-NH2 2.69Å; E755-R760 IonicContact OE2-CZ 3.38Å; E755-R760 IonicContact OE2-NE 3.85Å; E755-R760 IonicContact OE2-NH1 3.03Å; E755-R760 PolarHBondContact OE2-NH1 3.01Å; E755-R760 IonicContact OE2-NH2 2.76Å; E755-R760 PolarHBondContact OE2-NH2 3.49Å; G758-R760 PolarHBondContact O-N 2.87Å; G758-R760 VanDerWaalsContact O-N 3.16Å
761	K	69.1	Low	69.7	Low	144 Å²	144	65.9 Å²	65.9	63%	0.626	37%	0.367	S	S	*	.	H	α-helix	trans	-74.6	-30.7	179.9	-67.6	179.1	-179.8	172	0	112	G758 F759	G758-K761 WeakPolarHBondContact O-CB 3.49Å; G758-K761 PolarHBondContact O-N 3.15Å; F759-K761 VanDerWaalsContact C-N 3.34Å; F759-K761 PolarHBondContact O-N 3.47Å
762	T	64.2	Low	68.8	Low	72 Å²	72	63.3 Å²	63.3	44%	0.442	35%	0.354	S	S	.	.	H	α-helix	trans	-88	-32.2	-180	55.2	0	0	0	0	112.9	G758 F759	G758-T762 PolarHBondContact O-N 3.01Å; G758-T762 VanDerWaalsContact O-N 3.14Å; G758-T762 PolarHBondContact O-OG1 3.1Å; F759-T762 WeakPolarHBondContact CA-OG1 3.47Å; F759-T762 PolarHBondContact O-N 2.97Å; F759-T762 PolarHBondContact O-OG1 3.33Å; F759-T762 VanDerWaalsContact O-OG1 3.11Å
763	A	61.3	Low	68.4	Low	44 Å²	44	65.3 Å²	65.3	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-82.4	-12.8	-178.1	0	0	0	0	0	114.8	F759	F759-A763 HydrophobicContact CD1-CB 4.46Å; F759-A763 HydrophobicContact CE1-CB 4.2Å; F759-A763 HydrophobicContact CZ-CB 4.28Å; F759-A763 WeakPolarHBondContact O-CB 3.43Å; F759-A763 PolarHBondContact O-N 3.4Å
764	G	54.2	Low	68	Low	7 Å²	7	67.3 Å²	67.3	7%	0.072	36%	0.364	C	S	.	.	S	Bend	trans	-145.2	124.8	177.5	0	0	0	0	0	111.1	G766	G764-G766 PolarHBondContact O-N 3.19Å
765	G	51.3	Low	68	Low	86 Å²	86	68.2 Å²	68.2	89%	0.887	37%	0.37	S	S	*	.	S	Bend	trans	-69.6	58.2	-177.2	0	0	0	0	0	114.8
766	G	53.2	Low	68.2	Low	47 Å²	47	66.3 Å²	66.3	49%	0.485	36%	0.362	S	S	.	.	S	Bend	trans	147	161.6	176.4	0	0	0	0	0	114	G764 F768	G764-G766 PolarHBondContact O-N 3.19Å; G766-F768 PolarHBondContact O-N 2.79Å; G766-F768 VanDerWaalsContact O-N 3.09Å
767	S	51.7	Low	68.4	Low	93 Å²	93	63.6 Å²	63.6	65%	0.65	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.5	-174.1	-166.9	0	0	0	0	115.9
768	F	53.6	Low	69	Low	190 Å²	190	63.8 Å²	63.8	83%	0.833	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	16.6	-172.5	-74.3	-80.4	0	0	0	114.4	G766 I770	G766-F768 PolarHBondContact O-N 2.79Å; G766-F768 VanDerWaalsContact O-N 3.09Å; F768-I770 PolarHBondContact O-N 3.02Å
769	H	61.2	Low	69.8	Low	117 Å²	117	63.5 Å²	63.5	54%	0.542	35%	0.345	S	S	.	.			trans	-81.9	116.3	175.7	-102.2	36.9	0	0	0	112.5	R771 G772	H769-R771 PolarHBondContact O-N 3.12Å; H769-G772 PolarHBondContact O-N 3.22Å
770	I	65.8	Low	70.5	Confident	52 Å²	52	67.6 Å²	67.6	27%	0.267	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-59.1	-30.2	-174.7	-67	162.4	0	0	0	113.1	V70 L73 F768 G772 Y773	V70-I770 HydrophobicContact CG1-CG2 3.69Å; L73-I770 HydrophobicContact CB-CD1 3.48Å; L73-I770 VanDerWaalsContact CB-CD1 3.48Å; L73-I770 WeakPolarHBondContact O-CD1 3.27Å; F768-I770 PolarHBondContact O-N 3.02Å; I770-G772 PolarHBondContact O-N 3.12Å; I770-Y773 PolarHBondContact O-N 2.86Å; I770-Y773 VanDerWaalsContact O-N 3.07Å
771	R	63.8	Low	71.3	Confident	144 Å²	144	64.3 Å²	64.3	54%	0.543	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-63.3	-23.3	-178.4	-156.4	171.2	-172.4	172.6	2	113.9	H769 Y773	H769-R771 PolarHBondContact O-N 3.12Å; R771-Y773 VanDerWaalsContact C-N 3.3Å; R771-Y773 PolarHBondContact O-N 3.32Å
772	G	70.1	Confident	72.3	Confident	2 Å²	2	57.4 Å²	57.4	2%	0.021	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-74.6	-15.6	175.6	0	0	0	0	0	114.6	H769 I770	H769-G772 PolarHBondContact O-N 3.22Å; I770-G772 PolarHBondContact O-N 3.12Å
773	Y	79	Confident	73.6	Confident	101 Å²	101	55.4 Å²	55.4	40%	0.396	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-94.1	-4.8	-178	-71.4	-86.5	0	0	0	113.8	I770 R771 I776 L777	I770-Y773 PolarHBondContact O-N 2.86Å; I770-Y773 VanDerWaalsContact O-N 3.07Å; R771-Y773 VanDerWaalsContact C-N 3.3Å; R771-Y773 PolarHBondContact O-N 3.32Å; Y773-I776 HydrophobicContact CD1-CD1 4.09Å; Y773-I776 PolarHBondContact O-N 3Å; Y773-I776 VanDerWaalsContact O-N 3.16Å; Y773-L777 PolarHBondContact O-N 2.91Å
774	E	79.6	Confident	75	Confident	60 Å²	60	55.4 Å²	55.4	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-55.8	-44.2	-178.5	-171	-175	177.1	0	0	113.7	W148 I776 L777 S778	W148-E774 HydrophobicContact CZ2-CG 4.47Å; W148-E774 PolarHBondContact NE1-OE1 2.89Å; E774-I776 VanDerWaalsContact C-N 3.32Å; E774-I776 PolarHBondContact O-N 2.97Å; E774-L777 PolarHBondContact O-N 3.05Å; E774-S778 PolarHBondContact O-N 2.88Å
775	P	85.1	Confident	76.7	Confident	20 Å²	20	55 Å²	55	13%	0.13	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-33.4	178.2	-21.1	34.1	0	0	0	113.4	Y750 L754 F759 S778 L779	Y750-P775 HydrophobicContact CE1-CB 4.33Å; L754-P775 HydrophobicContact CD1-CB 4.49Å; L754-P775 HydrophobicContact CD2-CB 4.26Å; F759-P775 HydrophobicContact CE1-CG 4.27Å; P775-S778 PolarHBondContact O-OG 2.95Å; P775-L779 PolarHBondContact O-N 3.33Å; P775-L779 VanDerWaalsContact O-N 3.08Å
776	I	87.4	Confident	78.7	Confident	26 Å²	26	51 Å²	51	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-44.8	177.7	-60	176.3	0	0	0	109.7	L754 Y773 E774 S778 L779 L780	L754-I776 HydrophobicContact CD2-CD1 3.85Å; L754-I776 HydrophobicContact CD2-CG1 3.37Å; Y773-I776 HydrophobicContact CD1-CD1 4.09Å; Y773-I776 PolarHBondContact O-N 3Å; Y773-I776 VanDerWaalsContact O-N 3.16Å; E774-I776 VanDerWaalsContact C-N 3.32Å; E774-I776 PolarHBondContact O-N 2.97Å; I776-S778 VanDerWaalsContact C-N 3.34Å; I776-S778 PolarHBondContact O-N 3.41Å; I776-L779 PolarHBondContact O-N 3.47Å; I776-L780 HydrophobicContact CG2-CD1 4.07Å; I776-L780 HydrophobicContact CG2-CG 4.46Å; I776-L780 WeakPolarHBondContact O-CG 3.48Å; I776-L780 PolarHBondContact O-N 2.92Å
777	L	87.5	Confident	80.5	Confident	36 Å²	36	49.5 Å²	49.5	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-46.4	175.5	179.4	62.6	0	0	0	111.1	T66 V70 W148 Y773 E774 L779 L780 L781	T66-L777 HydrophobicContact CG2-CD1 4.43Å; V70-L777 HydrophobicContact CG2-CD2 4.14Å; W148-L777 HydrophobicContact CH2-CD2 4.46Å; Y773-L777 PolarHBondContact O-N 2.91Å; E774-L777 PolarHBondContact O-N 3.05Å; L777-L779 VanDerWaalsContact C-N 3.34Å; L777-L779 PolarHBondContact O-N 2.83Å; L777-L780 PolarHBondContact O-N 2.84Å; L777-L781 HydrophobicContact CD1-CD1 4.03Å; L777-L781 HydrophobicContact CD1-CG 4.26Å; L777-L781 HydrophobicContact CG-CD1 4.01Å; L777-L781 WeakPolarHBondContact O-CG 3.42Å; L777-L781 PolarHBondContact O-N 3.19Å; L777-L781 VanDerWaalsContact O-N 3.08Å
778	S	87.7	Confident	82.3	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-45.6	177.9	77.8	0	0	0	0	111.7	E774 P775 I776 L781 F782	E774-S778 PolarHBondContact O-N 2.88Å; P775-S778 PolarHBondContact O-OG 2.95Å; I776-S778 VanDerWaalsContact C-N 3.34Å; I776-S778 PolarHBondContact O-N 3.41Å; S778-L781 PolarHBondContact O-N 3.04Å; S778-F782 WeakPolarHBondContact O-CD2 3.4Å; S778-F782 PolarHBondContact O-N 3.48Å
779	L	90.4	Very high	84.1	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-49.4	177.9	178.5	77.4	0	0	0	111.7	Y750 I751 P775 I776 L777 L781 F782 V783	Y750-L779 HydrophobicContact CD1-CB 4.34Å; Y750-L779 HydrophobicContact CD1-CD1 4.33Å; Y750-L779 HydrophobicContact CD1-CD2 3.57Å; Y750-L779 HydrophobicContact CD1-CG 4.29Å; Y750-L779 HydrophobicContact CD2-CD1 4.25Å; Y750-L779 HydrophobicContact CE1-CB 4.21Å; Y750-L779 HydrophobicContact CE1-CD2 4.26Å; Y750-L779 HydrophobicContact CG-CD1 4.05Å; Y750-L779 HydrophobicContact CG-CD2 3.85Å; Y750-L779 HydrophobicContact CG-CG 4.45Å; I751-L779 HydrophobicContact CD1-CD2 4.23Å; I751-L779 HydrophobicContact CG1-CD2 3.92Å; P775-L779 PolarHBondContact O-N 3.33Å; P775-L779 VanDerWaalsContact O-N 3.08Å; I776-L779 PolarHBondContact O-N 3.47Å; L777-L779 VanDerWaalsContact C-N 3.34Å; L777-L779 PolarHBondContact O-N 2.83Å; L779-L781 VanDerWaalsContact C-N 3.3Å; L779-L781 PolarHBondContact O-N 2.83Å; L779-F782 PolarHBondContact O-N 2.82Å; L779-V783 HydrophobicContact CD1-CG2 3.97Å; L779-V783 HydrophobicContact CG-CG2 4.02Å; L779-V783 WeakPolarHBondContact O-CB 3.29Å; L779-V783 WeakPolarHBondContact O-CG2 3.13Å; L779-V783 PolarHBondContact O-N 2.87Å
780	L	90.2	Very high	85.5	Confident	98 Å²	98	33.9 Å²	33.9	51%	0.513	17%	0.168	S	C	.	.	H	α-helix	trans	-60.5	-40.3	-178	-71.1	172.6	0	0	0	111.9	I776 L777 S784	I776-L780 HydrophobicContact CG2-CD1 4.07Å; I776-L780 HydrophobicContact CG2-CG 4.46Å; I776-L780 WeakPolarHBondContact O-CG 3.48Å; I776-L780 PolarHBondContact O-N 2.92Å; L777-L780 PolarHBondContact O-N 2.84Å; L780-S784 WeakPolarHBondContact O-CB 3.48Å; L780-S784 PolarHBondContact O-N 2.92Å; L780-S784 PolarHBondContact O-OG 3.49Å
781	L	90.7	Very high	86.7	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-42.5	176.4	-69.5	172.8	0	0	0	112.3	F62 T63 W148 L152 L777 S778 L779 S784 A785	F62-L781 HydrophobicContact CD1-CD2 3.24Å; F62-L781 HydrophobicContact CE1-CD2 3.41Å; F62-L781 VanDerWaalsContact CE1-CD2 3.41Å; F62-L781 HydrophobicContact CG-CD2 4.45Å; T63-L781 HydrophobicContact CG2-CD1 4.2Å; W148-L781 HydrophobicContact CH2-CD1 3.84Å; W148-L781 HydrophobicContact CZ3-CD1 3.67Å; L152-L781 HydrophobicContact CD2-CB 3.91Å; L152-L781 HydrophobicContact CD2-CD1 4.49Å; L777-L781 HydrophobicContact CD1-CD1 4.03Å; L777-L781 HydrophobicContact CD1-CG 4.26Å; L777-L781 HydrophobicContact CG-CD1 4.01Å; L777-L781 WeakPolarHBondContact O-CG 3.42Å; L777-L781 PolarHBondContact O-N 3.19Å; L777-L781 VanDerWaalsContact O-N 3.08Å; S778-L781 PolarHBondContact O-N 3.04Å; L779-L781 VanDerWaalsContact C-N 3.3Å; L779-L781 PolarHBondContact O-N 2.83Å; L781-S784 WeakPolarHBondContact CA-OG 3.35Å; L781-S784 PolarHBondContact O-OG 3.01Å; L781-A785 WeakPolarHBondContact O-CB 3.17Å; L781-A785 PolarHBondContact O-N 2.79Å
782	F	91.2	Very high	87.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.7	-44.8	176.2	-93.4	-86.3	0	0	0	112.9	W148 I151 L152 V722 L726 S778 L779 S784 A785 L786	W148-F782 WeakPolarHBondContact O-CE2 3.21Å; I151-F782 HydrophobicContact CB-CZ 3.9Å; I151-F782 HydrophobicContact CG2-CE1 3.87Å; I151-F782 HydrophobicContact CG2-CZ 3.51Å; L152-F782 VanDerWaalsContact CA-CZ 3.45Å; L152-F782 HydrophobicContact CB-CD2 4.36Å; L152-F782 HydrophobicContact CB-CE1 4.28Å; L152-F782 HydrophobicContact CB-CE2 3.67Å; L152-F782 HydrophobicContact CB-CZ 3.62Å; L152-F782 HydrophobicContact CD1-CD1 3.99Å; L152-F782 HydrophobicContact CD1-CD2 4.07Å; L152-F782 HydrophobicContact CD1-CE1 4.06Å; L152-F782 HydrophobicContact CD1-CE2 4.15Å; L152-F782 HydrophobicContact CD1-CG 4.01Å; L152-F782 HydrophobicContact CD1-CZ 4.15Å; L152-F782 HydrophobicContact CG-CE2 4.41Å; L152-F782 HydrophobicContact CG-CZ 4.5Å; L152-F782 VanDerWaalsContact N-CZ 3.3Å; V722-F782 HydrophobicContact CG1-CB 3.9Å; V722-F782 HydrophobicContact CG1-CD1 3.82Å; V722-F782 HydrophobicContact CG1-CD2 3.32Å; V722-F782 HydrophobicContact CG1-CE1 4.12Å; V722-F782 HydrophobicContact CG1-CE2 3.64Å; V722-F782 HydrophobicContact CG1-CG 3.39Å; V722-F782 HydrophobicContact CG1-CZ 4.02Å; L726-F782 HydrophobicContact CD1-CE1 4.32Å; L726-F782 HydrophobicContact CD2-CD1 4.01Å; L726-F782 HydrophobicContact CD2-CE1 4.03Å; L726-F782 HydrophobicContact CG-CE1 4.46Å; S778-F782 WeakPolarHBondContact O-CD2 3.4Å; S778-F782 PolarHBondContact O-N 3.48Å; L779-F782 PolarHBondContact O-N 2.82Å; F782-S784 VanDerWaalsContact C-N 3.32Å; F782-S784 PolarHBondContact O-N 2.85Å; F782-A785 PolarHBondContact O-N 2.8Å; F782-L786 WeakPolarHBondContact O-CB 3.49Å; F782-L786 WeakPolarHBondContact O-CG 3.44Å; F782-L786 PolarHBondContact O-N 3.4Å
783	V	91.3	Very high	88.7	Confident	29 Å²	29	30 Å²	30	18%	0.176	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-44.3	178.1	172.1	0	0	0	0	110.1	M743 L779 L786 A787	M743-V783 HydrophobicContact CB-CG1 4.42Å; M743-V783 HydrophobicContact CE-CB 4.17Å; M743-V783 HydrophobicContact CE-CG1 4.26Å; M743-V783 HydrophobicContact CE-CG2 3.8Å; L779-V783 HydrophobicContact CD1-CG2 3.97Å; L779-V783 HydrophobicContact CG-CG2 4.02Å; L779-V783 WeakPolarHBondContact O-CB 3.29Å; L779-V783 WeakPolarHBondContact O-CG2 3.13Å; L779-V783 PolarHBondContact O-N 2.87Å; V783-L786 PolarHBondContact O-N 3.43Å; V783-A787 WeakPolarHBondContact O-CB 3.4Å; V783-A787 PolarHBondContact O-N 2.91Å
784	S	89.7	Confident	89.1	Confident	44 Å²	44	25.2 Å²	25.2	31%	0.308	13%	0.132	S	C	.	.	H	α-helix	trans	-65.7	-42.7	177.4	60.5	0	0	0	0	112.6	L780 L781 F782 A787 L788	L780-S784 WeakPolarHBondContact O-CB 3.48Å; L780-S784 PolarHBondContact O-N 2.92Å; L780-S784 PolarHBondContact O-OG 3.49Å; L781-S784 WeakPolarHBondContact CA-OG 3.35Å; L781-S784 PolarHBondContact O-OG 3.01Å; F782-S784 VanDerWaalsContact C-N 3.32Å; F782-S784 PolarHBondContact O-N 2.85Å; S784-A787 PolarHBondContact O-N 3.03Å; S784-L788 WeakPolarHBondContact O-CG 3.29Å; S784-L788 PolarHBondContact O-N 2.99Å
785	A	91.1	Very high	89.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-44.9	175.5	0	0	0	0	0	112.3	V59 L152 L781 F782 L788 H789	V59-A785 HydrophobicContact CG1-CB 4.12Å; L152-A785 HydrophobicContact CD1-CB 3.97Å; L781-A785 WeakPolarHBondContact O-CB 3.17Å; L781-A785 PolarHBondContact O-N 2.79Å; F782-A785 PolarHBondContact O-N 2.8Å; A785-L788 PolarHBondContact O-N 3.31Å; A785-H789 WeakPolarHBondContact O-CB 3.4Å; A785-H789 PolarHBondContact O-N 2.83Å
786	L	91.6	Very high	89.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.2	-37.5	176.6	-82.7	163.2	0	0	0	112.6	F155 T725 L726 A729 M743 F782 V783 S790	F155-L786 HydrophobicContact CE1-CD2 4.05Å; F155-L786 HydrophobicContact CE1-CG 4.28Å; F155-L786 HydrophobicContact CE2-CD2 4.45Å; F155-L786 HydrophobicContact CZ-CD2 3.68Å; F155-L786 HydrophobicContact CZ-CG 4.4Å; T725-L786 WeakPolarHBondContact OG1-CD1 3.44Å; L726-L786 HydrophobicContact CD2-CD1 4.12Å; L726-L786 HydrophobicContact CD2-CD2 4.08Å; L726-L786 HydrophobicContact CD2-CG 4.25Å; A729-L786 HydrophobicContact CB-CD2 4.02Å; M743-L786 HydrophobicContact CE-CB 4.04Å; M743-L786 HydrophobicContact CE-CD1 3.54Å; M743-L786 HydrophobicContact CE-CG 4.45Å; M743-L786 HydrophobicContact SD-CD1 4.39Å; F782-L786 WeakPolarHBondContact O-CB 3.49Å; F782-L786 WeakPolarHBondContact O-CG 3.44Å; F782-L786 PolarHBondContact O-N 3.4Å; V783-L786 PolarHBondContact O-N 3.43Å; L786-S790 VanDerWaalsContact O-CB 3.27Å; L786-S790 WeakPolarHBondContact O-CB 3.24Å; L786-S790 PolarHBondContact O-N 3.44Å; L786-S790 PolarHBondContact O-OG 3.43Å
787	A	91.2	Very high	89.5	Confident	16 Å²	16	24.2 Å²	24.2	13%	0.132	13%	0.126	C	C	.	.	H	α-helix	trans	-63.3	-48.7	175.1	0	0	0	0	0	111.7	M740 V783 S784 S790 R791	M740-A787 HydrophobicContact CE-CB 3.53Å; M740-A787 VanDerWaalsContact SD-CA 3.59Å; M740-A787 HydrophobicContact SD-CB 3.27Å; M740-A787 WeakPolarHBondContact SD-CB 3.26Å; V783-A787 WeakPolarHBondContact O-CB 3.4Å; V783-A787 PolarHBondContact O-N 2.91Å; S784-A787 PolarHBondContact O-N 3.03Å; A787-S790 PolarHBondContact O-N 2.82Å; A787-R791 WeakPolarHBondContact O-CB 3.47Å; A787-R791 PolarHBondContact O-N 3.1Å
788	L	90.6	Very high	89.6	Confident	64 Å²	64	22.7 Å²	22.7	34%	0.335	12%	0.118	S	C	.	.	H	α-helix	trans	-61.4	-44.5	177	-72.4	173.1	0	0	0	111.4	V59 S784 A785 Q792	V59-L788 HydrophobicContact CG2-CD1 3.68Å; S784-L788 WeakPolarHBondContact O-CG 3.29Å; S784-L788 PolarHBondContact O-N 2.99Å; A785-L788 PolarHBondContact O-N 3.31Å; L788-Q792 VanDerWaalsContact O-CB 3.22Å; L788-Q792 WeakPolarHBondContact O-CB 3.45Å; L788-Q792 PolarHBondContact O-N 2.77Å
789	H	90.7	Very high	89.4	Confident	7 Å²	7	23.6 Å²	23.6	3%	0.032	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-48.8	175.8	177.6	68.1	0	0	0	111.9	A159 L160 A785 R791 Q792 L793	A159-H789 PolarHBondContact O-ND1 2.68Å; L160-H789 HydrophobicContact CD2-CB 4.02Å; A785-H789 WeakPolarHBondContact O-CB 3.4Å; A785-H789 PolarHBondContact O-N 2.83Å; H789-R791 PolarHBondContact O-N 3.5Å; H789-Q792 PolarHBondContact O-N 3.31Å; H789-L793 VanDerWaalsContact O-CB 3.31Å; H789-L793 WeakPolarHBondContact O-CB 3.44Å; H789-L793 PolarHBondContact O-N 2.74Å
790	S	91.1	Very high	89.2	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.014	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-44.5	-178.8	-64.2	0	0	0	0	112.2	L786 A787 D794	L786-S790 VanDerWaalsContact O-CB 3.27Å; L786-S790 WeakPolarHBondContact O-CB 3.24Å; L786-S790 PolarHBondContact O-N 3.44Å; L786-S790 PolarHBondContact O-OG 3.43Å; A787-S790 PolarHBondContact O-N 2.82Å; S790-D794 PolarHBondContact O-N 3.34Å
791	R	90.4	Very high	89.1	Confident	90 Å²	90	20.6 Å²	20.6	34%	0.34	11%	0.105	S	C	.	.	H	α-helix	trans	-65.8	-42	176.6	-173.9	-179.7	176.3	-158.1	1.5	111.7	L575 W736 A787 H789 L795	L575-R791 HydrophobicContact CD1-CG 4.1Å; W736-R791 HydrophobicContact CD2-CB 4.24Å; W736-R791 HydrophobicContact CD2-CG 4.15Å; W736-R791 HydrophobicContact CE3-CB 4.01Å; W736-R791 HydrophobicContact CE3-CG 4.2Å; W736-R791 HydrophobicContact CG-CB 4.44Å; W736-R791 HydrophobicContact CG-CG 4.46Å; A787-R791 WeakPolarHBondContact O-CB 3.47Å; A787-R791 PolarHBondContact O-N 3.1Å; H789-R791 PolarHBondContact O-N 3.5Å; R791-L795 WeakPolarHBondContact O-CB 3.36Å; R791-L795 PolarHBondContact O-N 3.36Å; R791-L795 VanDerWaalsContact O-N 3.12Å
792	Q	87.4	Confident	88.8	Confident	18 Å²	18	21.9 Å²	21.9	8%	0.084	11%	0.112	C	C	.	.	H	α-helix	trans	-65.5	-43	179.5	179.5	178.2	-18.5	0	0	112.3	S52 K55 L788 H789 L795 K796	S52-Q792 PolarHBondContact OG-NE2 3Å; K55-Q792 VanDerWaalsContact CD-OE1 3.24Å; L788-Q792 VanDerWaalsContact O-CB 3.22Å; L788-Q792 WeakPolarHBondContact O-CB 3.45Å; L788-Q792 PolarHBondContact O-N 2.77Å; H789-Q792 PolarHBondContact O-N 3.31Å; Q792-L795 PolarHBondContact O-N 2.65Å; Q792-K796 VanDerWaalsContact O-CB 3.25Å; Q792-K796 WeakPolarHBondContact O-CB 3.19Å; Q792-K796 PolarHBondContact O-N 3.37Å
793	L	88.4	Confident	88.3	Confident	7 Å²	7	22.5 Å²	22.5	4%	0.037	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-44	179.6	-179.9	63.3	0	0	0	111.8	T219 L732 H789 K796 L797	T219-L793 HydrophobicContact CG2-CD1 4.07Å; L732-L793 HydrophobicContact CB-CD2 4.3Å; L732-L793 HydrophobicContact CD2-CD1 4.49Å; L732-L793 HydrophobicContact CG-CD1 4.44Å; L732-L793 HydrophobicContact CG-CD2 4.08Å; H789-L793 VanDerWaalsContact O-CB 3.31Å; H789-L793 WeakPolarHBondContact O-CB 3.44Å; H789-L793 PolarHBondContact O-N 2.74Å; L793-K796 PolarHBondContact O-N 3.18Å; L793-L797 HydrophobicContact CD1-CD1 4.19Å; L793-L797 HydrophobicContact CD1-CG 4.4Å; L793-L797 HydrophobicContact CG-CD1 4.1Å; L793-L797 VanDerWaalsContact O-CG 3.31Å; L793-L797 WeakPolarHBondContact O-CG 3.27Å; L793-L797 PolarHBondContact O-N 3.09Å
794	D	88.6	Confident	88	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-44.8	177.4	-165.7	19.5	0	0	0	111.2	L575 W736 S790 K796 L797 R798	L575-D794 HydrophobicContact CD1-CB 4.4Å; W736-D794 HydrophobicContact CB-CB 4.27Å; W736-D794 PolarHBondContact N-OD2 3.01Å; W736-D794 VanDerWaalsContact N-OD2 3.13Å; S790-D794 PolarHBondContact O-N 3.34Å; D794-K796 VanDerWaalsContact C-N 3.32Å; D794-K796 PolarHBondContact O-N 3.48Å; D794-L797 PolarHBondContact O-N 3.07Å; D794-R798 WeakPolarHBondContact O-CB 3.28Å; D794-R798 VanDerWaalsContact O-CG 3.31Å; D794-R798 WeakPolarHBondContact O-CG 3.44Å; D794-R798 PolarHBondContact O-N 2.98Å; D794-R798 IonicContact OD1-NE 2.83Å; D794-R798 PolarHBondContact OD1-NE 3.04Å; D794-R798 IonicContact OD2-NE 2.84Å
795	L	87.1	Confident	87.8	Confident	39 Å²	39	20.6 Å²	20.6	20%	0.204	10%	0.103	C	C	.	.	H	α-helix	trans	-57	-46.9	173.8	177.4	64.2	0	0	0	111.5	L570 L575 R791 Q792 R798 L799	L570-L795 HydrophobicContact CD1-CD1 3.83Å; L575-L795 HydrophobicContact CD1-CB 4.24Å; L575-L795 HydrophobicContact CD2-CD1 4.25Å; R791-L795 WeakPolarHBondContact O-CB 3.36Å; R791-L795 PolarHBondContact O-N 3.36Å; R791-L795 VanDerWaalsContact O-N 3.12Å; Q792-L795 PolarHBondContact O-N 2.65Å; L795-R798 PolarHBondContact O-N 3.13Å; L795-L799 HydrophobicContact CD1-CD1 4.1Å; L795-L799 HydrophobicContact CD1-CG 4.21Å; L795-L799 HydrophobicContact CG-CD1 4.03Å; L795-L799 HydrophobicContact CG-CG 4.49Å; L795-L799 WeakPolarHBondContact O-CG 3.43Å; L795-L799 PolarHBondContact O-N 3.18Å
796	K	85.7	Confident	87.5	Confident	31 Å²	31	23.3 Å²	23.3	14%	0.135	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-46.9	-178.3	-174.8	172.1	179.9	176.1	0	112.1	T219 Q792 L793 D794 R798 L799 D800	T219-K796 HydrophobicContact CG2-CD 4.31Å; Q792-K796 VanDerWaalsContact O-CB 3.25Å; Q792-K796 WeakPolarHBondContact O-CB 3.19Å; Q792-K796 PolarHBondContact O-N 3.37Å; L793-K796 PolarHBondContact O-N 3.18Å; D794-K796 VanDerWaalsContact C-N 3.32Å; D794-K796 PolarHBondContact O-N 3.48Å; K796-R798 VanDerWaalsContact C-N 3.31Å; K796-R798 PolarHBondContact O-N 3.47Å; K796-L799 PolarHBondContact O-N 3.2Å; K796-D800 PolarHBondContact O-N 3.06Å
797	L	87.2	Confident	87.1	Confident	14 Å²	14	23.5 Å²	23.5	7%	0.073	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-34.8	177.9	-70	168.3	0	0	0	112.6	A222 L732 R733 L793 D794 F801	A222-L797 HydrophobicContact CB-CD2 4.24Å; L732-L797 HydrophobicContact CB-CD1 4.15Å; R733-L797 HydrophobicContact CG-CD1 4.07Å; L793-L797 HydrophobicContact CD1-CD1 4.19Å; L793-L797 HydrophobicContact CD1-CG 4.4Å; L793-L797 HydrophobicContact CG-CD1 4.1Å; L793-L797 VanDerWaalsContact O-CG 3.31Å; L793-L797 WeakPolarHBondContact O-CG 3.27Å; L793-L797 PolarHBondContact O-N 3.09Å; D794-L797 PolarHBondContact O-N 3.07Å; L797-F801 WeakPolarHBondContact O-CB 3.28Å; L797-F801 PolarHBondContact O-N 3.45Å; L797-F801 VanDerWaalsContact O-N 3.09Å
798	R	88.9	Confident	86.9	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-70.3	-44.7	175.9	-73.9	176.7	175.1	-90	3.7	111.9	L570 L575 Y577 E583 Y586 D794 L795 K796 D800 F801 L802	L570-R798 HydrophobicContact CD2-CB 4.36Å; L575-R798 WeakPolarHBondContact O-CD 3.49Å; L575-R798 VanDerWaalsContact O-CZ 3.26Å; L575-R798 PolarHBondContact O-NE 3.47Å; L575-R798 PolarHBondContact O-NH1 3.34Å; Y577-R798 HydrophobicContact CE2-CG 4.48Å; Y577-R798 VanDerWaalsContact OH-C 3.28Å; Y577-R798 WeakPolarHBondContact OH-CA 3.16Å; Y577-R798 VanDerWaalsContact OH-CB 3.3Å; Y577-R798 WeakPolarHBondContact OH-CB 3.46Å; Y577-R798 PolarHBondContact OH-O 3.09Å; E583-R798 IonicContact OE1-CZ 3.57Å; E583-R798 IonicContact OE1-NH1 3.96Å; E583-R798 PolarHBondContact OE1-NH1 3.09Å; E583-R798 VanDerWaalsContact OE1-NH1 3.15Å; E583-R798 IonicContact OE1-NH2 3.86Å; E583-R798 PolarHBondContact OE1-NH2 3.47Å; E583-R798 IonicContact OE2-CZ 2.77Å; E583-R798 IonicContact OE2-NH1 3.51Å; E583-R798 PolarHBondContact OE2-NH1 3.41Å; E583-R798 IonicContact OE2-NH2 2.65Å; Y586-R798 HydrophobicContact CE1-CG 4.11Å; Y586-R798 HydrophobicContact CE2-CG 4.16Å; D794-R798 WeakPolarHBondContact O-CB 3.28Å; D794-R798 VanDerWaalsContact O-CG 3.31Å; D794-R798 WeakPolarHBondContact O-CG 3.44Å; D794-R798 PolarHBondContact O-N 2.98Å; D794-R798 IonicContact OD1-NE 2.83Å; D794-R798 PolarHBondContact OD1-NE 3.04Å; D794-R798 IonicContact OD2-NE 2.84Å; L795-R798 PolarHBondContact O-N 3.13Å; K796-R798 VanDerWaalsContact C-N 3.31Å; K796-R798 PolarHBondContact O-N 3.47Å; R798-D800 VanDerWaalsContact C-N 3.35Å; R798-D800 PolarHBondContact O-N 3.27Å; R798-F801 PolarHBondContact O-N 2.76Å; R798-L802 WeakPolarHBondContact O-CB 3.48Å; R798-L802 PolarHBondContact O-N 2.86Å
799	L	84.9	Confident	86.8	Confident	26 Å²	26	27 Å²	27	14%	0.136	13%	0.129	C	C	.	.	H	α-helix	trans	-60.9	-43.2	175.2	-68.3	173.7	0	0	0	112.2	L48 D566 L570 L795 K796 F801 L802 W803	L48-L799 HydrophobicContact CD2-CD1 4.13Å; D566-L799 HydrophobicContact CB-CD2 4.32Å; D566-L799 WeakPolarHBondContact O-CD2 3.42Å; L570-L799 HydrophobicContact CD1-CD2 3.97Å; L795-L799 HydrophobicContact CD1-CD1 4.1Å; L795-L799 HydrophobicContact CD1-CG 4.21Å; L795-L799 HydrophobicContact CG-CD1 4.03Å; L795-L799 HydrophobicContact CG-CG 4.49Å; L795-L799 WeakPolarHBondContact O-CG 3.43Å; L795-L799 PolarHBondContact O-N 3.18Å; K796-L799 PolarHBondContact O-N 3.2Å; L799-F801 VanDerWaalsContact C-N 3.31Å; L799-F801 PolarHBondContact O-N 2.94Å; L799-L802 PolarHBondContact O-N 3.06Å; L799-W803 PolarHBondContact O-N 3.02Å
800	D	85.3	Confident	86.5	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.027	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-40.7	175.4	-73.8	-26.7	0	0	0	111.7	Y44 A226 K796 R798 A804	Y44-D800 PolarHBondContact OH-OD1 2.89Å; A226-D800 HydrophobicContact CB-CB 3.94Å; K796-D800 PolarHBondContact O-N 3.06Å; R798-D800 VanDerWaalsContact C-N 3.35Å; R798-D800 PolarHBondContact O-N 3.27Å; D800-A804 PolarHBondContact O-N 3.47Å; D800-A804 VanDerWaalsContact O-N 3.14Å
801	F	87.2	Confident	86.4	Confident	34 Å²	34	32.3 Å²	32.3	15%	0.149	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-47.3	175.6	174.5	-98.1	0	0	0	112.3	Y577 R585 Y586 V589 L797 R798 L799 W803 A804 V805	Y577-F801 HydrophobicContact CE2-CD1 4.08Å; Y577-F801 HydrophobicContact CE2-CE1 4.3Å; Y577-F801 AromaticContact CZ-CD1 3.89Å; Y577-F801 WeakPolarHBondContact OH-CD1 3.14Å; R585-F801 HydrophobicContact CB-CZ 4.04Å; Y586-F801 HydrophobicContact CD2-CB 4.01Å; Y586-F801 AromaticContact CD2-CD1 3.84Å; Y586-F801 HydrophobicContact CD2-CD1 3.84Å; Y586-F801 HydrophobicContact CD2-CD2 4.07Å; Y586-F801 HydrophobicContact CD2-CE1 4.27Å; Y586-F801 AromaticContact CD2-CG 3.69Å; Y586-F801 HydrophobicContact CD2-CG 3.69Å; Y586-F801 HydrophobicContact CE2-CB 4.22Å; Y586-F801 HydrophobicContact CE2-CG 4.39Å; Y586-F801 HydrophobicContact CG-CD1 4.44Å; V589-F801 HydrophobicContact CG2-CD2 3.89Å; V589-F801 HydrophobicContact CG2-CE2 3.46Å; V589-F801 VanDerWaalsContact CG2-CE2 3.46Å; V589-F801 HydrophobicContact CG2-CZ 4.32Å; L797-F801 WeakPolarHBondContact O-CB 3.28Å; L797-F801 PolarHBondContact O-N 3.45Å; L797-F801 VanDerWaalsContact O-N 3.09Å; R798-F801 PolarHBondContact O-N 2.76Å; L799-F801 VanDerWaalsContact C-N 3.31Å; L799-F801 PolarHBondContact O-N 2.94Å; F801-W803 PolarHBondContact O-N 3.46Å; F801-A804 PolarHBondContact O-N 3.12Å; F801-A804 VanDerWaalsContact O-N 3.14Å; F801-V805 HydrophobicContact CD1-CG2 4.12Å; F801-V805 HydrophobicContact CD2-CG2 4.12Å; F801-V805 HydrophobicContact CE1-CG2 3.7Å; F801-V805 HydrophobicContact CE2-CG2 3.67Å; F801-V805 HydrophobicContact CG-CG2 4.35Å; F801-V805 HydrophobicContact CZ-CG2 3.46Å; F801-V805 VanDerWaalsContact CZ-CG2 3.46Å; F801-V805 WeakPolarHBondContact O-CG2 3.4Å; F801-V805 PolarHBondContact O-N 3.15Å
802	L	85.6	Confident	86.3	Confident	28 Å²	28	31.3 Å²	31.3	15%	0.147	15%	0.153	C	C	.	.	H	α-helix	trans	-56.9	-41.4	178.9	-178.3	63.9	0	0	0	110.9	D569 Y577 R798 L799 Q806	D569-L802 HydrophobicContact CB-CD2 4.34Å; Y577-L802 HydrophobicContact CE1-CB 4.24Å; Y577-L802 HydrophobicContact CE1-CD1 4.35Å; R798-L802 WeakPolarHBondContact O-CB 3.48Å; R798-L802 PolarHBondContact O-N 2.86Å; L799-L802 PolarHBondContact O-N 3.06Å; L802-Q806 WeakPolarHBondContact O-CB 3.49Å; L802-Q806 PolarHBondContact O-N 3.46Å
803	W	81.1	Confident	86.3	Confident	13 Å²	13	32.3 Å²	32.3	5%	0.049	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-48.7	175.4	-178.5	18.4	0	0	0	112.6	Y44 F227 A230 L799 F801 V805 Q806 A807	Y44-W803 HydrophobicContact CD1-CZ3 4.21Å; Y44-W803 HydrophobicContact CD2-CE3 4.08Å; Y44-W803 AromaticContact CD2-CH2 3.78Å; Y44-W803 HydrophobicContact CD2-CH2 3.78Å; Y44-W803 AromaticContact CD2-CZ3 3.49Å; Y44-W803 HydrophobicContact CD2-CZ3 3.49Å; Y44-W803 VanDerWaalsContact CD2-CZ3 3.49Å; Y44-W803 HydrophobicContact CE1-CE3 4.34Å; Y44-W803 AromaticContact CE1-CZ3 3.9Å; Y44-W803 HydrophobicContact CE1-CZ3 3.9Å; Y44-W803 HydrophobicContact CE2-CD2 4.08Å; Y44-W803 AromaticContact CE2-CE3 3.26Å; Y44-W803 HydrophobicContact CE2-CE3 3.26Å; Y44-W803 AromaticContact CE2-CH2 3.84Å; Y44-W803 HydrophobicContact CE2-CH2 3.84Å; Y44-W803 AromaticContact CE2-CZ3 3.12Å; Y44-W803 HydrophobicContact CE2-CZ3 3.12Å; Y44-W803 HydrophobicContact CG-CH2 4.33Å; Y44-W803 HydrophobicContact CG-CZ3 4.03Å; Y44-W803 AromaticContact CZ-CE3 3.42Å; Y44-W803 VanDerWaalsContact CZ-CE3 3.42Å; Y44-W803 AromaticContact CZ-CZ3 3.36Å; F227-W803 HydrophobicContact CB-CZ3 4.15Å; F227-W803 AromaticContact CD2-CH2 3.35Å; F227-W803 HydrophobicContact CD2-CH2 3.35Å; F227-W803 AromaticContact CD2-CZ3 3.57Å; F227-W803 HydrophobicContact CD2-CZ3 3.57Å; F227-W803 AromaticContact CE2-CH2 3.78Å; F227-W803 HydrophobicContact CE2-CH2 3.78Å; F227-W803 HydrophobicContact CE2-CZ3 4.41Å; F227-W803 HydrophobicContact CG-CH2 4.27Å; F227-W803 HydrophobicContact CG-CZ3 4.27Å; A230-W803 HydrophobicContact CB-CD2 3.77Å; A230-W803 HydrophobicContact CB-CE3 4.07Å; A230-W803 HydrophobicContact CB-CG 4.23Å; A230-W803 HydrophobicContact CB-CH2 4.25Å; A230-W803 HydrophobicContact CB-CZ2 3.93Å; A230-W803 HydrophobicContact CB-CZ3 4.29Å; L799-W803 PolarHBondContact O-N 3.02Å; F801-W803 PolarHBondContact O-N 3.46Å; W803-V805 VanDerWaalsContact C-N 3.27Å; W803-V805 PolarHBondContact O-N 3.38Å; W803-Q806 PolarHBondContact O-N 3.17Å; W803-A807 WeakPolarHBondContact O-CB 3.48Å; W803-A807 PolarHBondContact O-N 3.31Å
804	A	84.6	Confident	86.2	Confident	21 Å²	21	33 Å²	33	17%	0.174	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-43	-179.9	0	0	0	0	0	111.4	D800 F801 A807 E808	D800-A804 PolarHBondContact O-N 3.47Å; D800-A804 VanDerWaalsContact O-N 3.14Å; F801-A804 PolarHBondContact O-N 3.12Å; F801-A804 VanDerWaalsContact O-N 3.14Å; A804-A807 PolarHBondContact O-N 2.77Å; A804-E808 WeakPolarHBondContact O-CB 3.33Å; A804-E808 PolarHBondContact O-N 3.38Å; A804-E808 VanDerWaalsContact O-N 3.08Å
805	V	85	Confident	86.1	Confident	11 Å²	11	37.3 Å²	37.3	7%	0.067	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-44.6	177.5	173.4	0	0	0	0	111.8	F801 W803 A807 E808 E809	F801-V805 HydrophobicContact CD1-CG2 4.12Å; F801-V805 HydrophobicContact CD2-CG2 4.12Å; F801-V805 HydrophobicContact CE1-CG2 3.7Å; F801-V805 HydrophobicContact CE2-CG2 3.67Å; F801-V805 HydrophobicContact CG-CG2 4.35Å; F801-V805 HydrophobicContact CZ-CG2 3.46Å; F801-V805 VanDerWaalsContact CZ-CG2 3.46Å; F801-V805 WeakPolarHBondContact O-CG2 3.4Å; F801-V805 PolarHBondContact O-N 3.15Å; W803-V805 VanDerWaalsContact C-N 3.27Å; W803-V805 PolarHBondContact O-N 3.38Å; V805-A807 VanDerWaalsContact C-N 3.3Å; V805-A807 PolarHBondContact O-N 3.28Å; V805-E808 WeakPolarHBondContact O-CB 3Å; V805-E808 PolarHBondContact O-N 2.84Å; V805-E808 VanDerWaalsContact O-N 3.11Å; V805-E809 HydrophobicContact CG1-CG 4.18Å; V805-E809 WeakPolarHBondContact CG1-OE1 3.4Å; V805-E809 WeakPolarHBondContact O-CG 3.3Å; V805-E809 PolarHBondContact O-N 3.23Å
806	Q	84.6	Confident	86.1	Confident	58 Å²	58	42.2 Å²	42.2	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-60.1	-42	177.8	-176.9	64.9	32.6	0	0	111.8	L802 W803 E808 E809 E810	L802-Q806 WeakPolarHBondContact O-CB 3.49Å; L802-Q806 PolarHBondContact O-N 3.46Å; W803-Q806 PolarHBondContact O-N 3.17Å; Q806-E808 VanDerWaalsContact C-N 3.29Å; Q806-E808 PolarHBondContact O-N 3.07Å; Q806-E809 PolarHBondContact O-N 3.45Å; Q806-E810 PolarHBondContact NE2-OE1 3.16Å; Q806-E810 WeakPolarHBondContact O-CG 3.5Å; Q806-E810 PolarHBondContact O-N 3.22Å
807	A	84.2	Confident	85.9	Confident	3 Å²	3	43.6 Å²	43.6	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-32.9	176.9	0	0	0	0	0	112.3	A230 C233 I234 W803 A804 V805 R811	A230-A807 HydrophobicContact CB-CB 4.34Å; C233-A807 HydrophobicContact CB-CB 4.05Å; I234-A807 HydrophobicContact CG1-CB 4.22Å; W803-A807 WeakPolarHBondContact O-CB 3.48Å; W803-A807 PolarHBondContact O-N 3.31Å; A804-A807 PolarHBondContact O-N 2.77Å; V805-A807 VanDerWaalsContact C-N 3.3Å; V805-A807 PolarHBondContact O-N 3.28Å; A807-R811 WeakPolarHBondContact O-CB 3.39Å; A807-R811 PolarHBondContact O-N 3.46Å
808	E	86.8	Confident	85.7	Confident	86 Å²	86	44.7 Å²	44.7	40%	0.402	23%	0.226	S	C	.	.	H	α-helix	trans	-72	-45.8	174.3	-176.1	161.5	-142.2	0	0	111.9	A804 V805 Q806 E810 R811 D812	A804-E808 WeakPolarHBondContact O-CB 3.33Å; A804-E808 PolarHBondContact O-N 3.38Å; A804-E808 VanDerWaalsContact O-N 3.08Å; V805-E808 WeakPolarHBondContact O-CB 3Å; V805-E808 PolarHBondContact O-N 2.84Å; V805-E808 VanDerWaalsContact O-N 3.11Å; Q806-E808 VanDerWaalsContact C-N 3.29Å; Q806-E808 PolarHBondContact O-N 3.07Å; E808-E810 VanDerWaalsContact C-N 3.34Å; E808-E810 PolarHBondContact O-N 2.65Å; E808-R811 WeakPolarHBondContact O-CB 3.49Å; E808-R811 PolarHBondContact O-N 3.15Å; E808-R811 VanDerWaalsContact O-N 3.13Å; E808-R811 IonicContact OE1-NH2 3.57Å; E808-R811 PolarHBondContact OE1-NH2 2.89Å; E808-D812 WeakPolarHBondContact O-CB 3.4Å; E808-D812 VanDerWaalsContact O-CG 3.24Å; E808-D812 PolarHBondContact O-N 3.22Å
809	E	87.4	Confident	85.5	Confident	69 Å²	69	48.2 Å²	48.2	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-43.5	176.2	-73.5	175.2	179.6	0	0	111.6	R582 V805 Q806 D812 G813	R582-E809 IonicContact NH2-OE1 3.96Å; R582-E809 IonicContact NH2-OE2 2.96Å; R582-E809 PolarHBondContact NH2-OE2 2.61Å; V805-E809 HydrophobicContact CG1-CG 4.18Å; V805-E809 WeakPolarHBondContact CG1-OE1 3.4Å; V805-E809 WeakPolarHBondContact O-CG 3.3Å; V805-E809 PolarHBondContact O-N 3.23Å; Q806-E809 PolarHBondContact O-N 3.45Å; E809-D812 PolarHBondContact O-N 2.87Å; E809-G813 PolarHBondContact O-N 3.46Å
810	E	84.6	Confident	85.4	Confident	72 Å²	72	48.4 Å²	48.4	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-66.7	-35.6	175.6	-74.6	175.5	-162.2	0	0	113	Q806 E808 M814	Q806-E810 PolarHBondContact NE2-OE1 3.16Å; Q806-E810 WeakPolarHBondContact O-CG 3.5Å; Q806-E810 PolarHBondContact O-N 3.22Å; E808-E810 VanDerWaalsContact C-N 3.34Å; E808-E810 PolarHBondContact O-N 2.65Å; E810-M814 PolarHBondContact O-N 3.44Å; E810-M814 VanDerWaalsContact O-N 3.15Å
811	R	88.6	Confident	85.2	Confident	47 Å²	47	48.3 Å²	48.3	18%	0.177	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-49.8	174.8	-179.5	-158.1	68.8	-172.7	-10.2	110.5	E236 R237 M240 A807 E808 G813 M814 E815	E236-R811 HydrophobicContact CB-CG 4.41Å; E236-R811 WeakPolarHBondContact OE2-CD 3.49Å; E236-R811 IonicContact OE2-NH1 3.8Å; E236-R811 PolarHBondContact OE2-NH1 2.65Å; R237-R811 HydrophobicContact CB-CB 4.17Å; R237-R811 HydrophobicContact CB-CG 4.37Å; M240-R811 HydrophobicContact CE-CB 4.49Å; M240-R811 HydrophobicContact CE-CG 3.39Å; M240-R811 WeakPolarHBondContact CE-O 3.26Å; A807-R811 WeakPolarHBondContact O-CB 3.39Å; A807-R811 PolarHBondContact O-N 3.46Å; E808-R811 WeakPolarHBondContact O-CB 3.49Å; E808-R811 PolarHBondContact O-N 3.15Å; E808-R811 VanDerWaalsContact O-N 3.13Å; E808-R811 IonicContact OE1-NH2 3.57Å; E808-R811 PolarHBondContact OE1-NH2 2.89Å; R811-G813 VanDerWaalsContact C-N 3.31Å; R811-G813 PolarHBondContact O-N 3Å; R811-M814 WeakPolarHBondContact O-CB 3.28Å; R811-M814 PolarHBondContact O-N 3.13Å; R811-M814 VanDerWaalsContact O-N 3.15Å; R811-E815 PolarHBondContact O-N 3.1Å
812	D	89.3	Confident	84.9	Confident	69 Å²	69	51 Å²	51	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-37.3	-177.5	-65.3	-3.5	0	0	0	110.8	E808 E809 M814 E815 K816	E808-D812 WeakPolarHBondContact O-CB 3.4Å; E808-D812 VanDerWaalsContact O-CG 3.24Å; E808-D812 PolarHBondContact O-N 3.22Å; E809-D812 PolarHBondContact O-N 2.87Å; D812-M814 PolarHBondContact O-N 2.95Å; D812-E815 PolarHBondContact O-N 2.85Å; D812-K816 PolarHBondContact O-N 3.25Å
813	G	86.8	Confident	84.7	Confident	39 Å²	39	57.4 Å²	57.4	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-44.4	170.7	0	0	0	0	0	112.9	E809 R811 K816 V817	E809-G813 PolarHBondContact O-N 3.46Å; R811-G813 VanDerWaalsContact C-N 3.31Å; R811-G813 PolarHBondContact O-N 3Å; G813-K816 PolarHBondContact O-N 2.74Å; G813-V817 WeakPolarHBondContact O-CG2 3.48Å; G813-V817 PolarHBondContact O-N 2.56Å
814	M	86.5	Confident	84.7	Confident	23 Å²	23	56.9 Å²	56.9	11%	0.113	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-37.1	175.7	-178.9	59.9	68.9	0	0	112.4	R237 M240 E241 N244 E810 R811 D812 K816 V817 K818	R237-M814 HydrophobicContact CG-CB 4.1Å; R237-M814 HydrophobicContact CG-CG 4.43Å; M240-M814 HydrophobicContact CB-CG 3.78Å; E241-M814 HydrophobicContact CB-CE 3.82Å; E241-M814 HydrophobicContact CB-SD 4.15Å; E241-M814 HydrophobicContact CG-CE 3.85Å; N244-M814 HydrophobicContact CB-SD 4.32Å; E810-M814 PolarHBondContact O-N 3.44Å; E810-M814 VanDerWaalsContact O-N 3.15Å; R811-M814 WeakPolarHBondContact O-CB 3.28Å; R811-M814 PolarHBondContact O-N 3.13Å; R811-M814 VanDerWaalsContact O-N 3.15Å; D812-M814 PolarHBondContact O-N 2.95Å; M814-K816 VanDerWaalsContact C-N 3.33Å; M814-K816 PolarHBondContact O-N 3.28Å; M814-V817 PolarHBondContact O-N 3.28Å; M814-K818 WeakPolarHBondContact O-CB 3.44Å; M814-K818 PolarHBondContact O-N 3.49Å
815	E	86.6	Confident	84.5	Confident	91 Å²	91	55.9 Å²	55.9	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-43.5	175.5	-176.1	170.3	-158.5	0	0	111.4	M240 R811 D812 K818 L819	M240-E815 HydrophobicContact CE-CB 4.09Å; M240-E815 HydrophobicContact SD-CB 3.82Å; M240-E815 HydrophobicContact SD-CG 4.19Å; R811-E815 PolarHBondContact O-N 3.1Å; D812-E815 PolarHBondContact O-N 2.85Å; E815-K818 PolarHBondContact O-N 2.68Å; E815-L819 HydrophobicContact CG-CD1 4.24Å; E815-L819 HydrophobicContact CG-CG 4.47Å; E815-L819 WeakPolarHBondContact O-CG 3.46Å; E815-L819 PolarHBondContact O-N 3Å
816	K	86.9	Confident	84.2	Confident	142 Å²	142	57.9 Å²	57.9	62%	0.617	28%	0.275	S	S	*	.	H	α-helix	trans	-59	-49.8	175.5	-172.4	176.4	-178.9	179.7	0	111.6	D812 G813 M814 K818 L819 D820	D812-K816 PolarHBondContact O-N 3.25Å; G813-K816 PolarHBondContact O-N 2.74Å; M814-K816 VanDerWaalsContact C-N 3.33Å; M814-K816 PolarHBondContact O-N 3.28Å; K816-K818 VanDerWaalsContact C-N 3.28Å; K816-K818 PolarHBondContact O-N 2.91Å; K816-L819 PolarHBondContact O-N 3.3Å; K816-L819 VanDerWaalsContact O-N 3.13Å; K816-D820 WeakPolarHBondContact O-CB 3.16Å; K816-D820 VanDerWaalsContact O-CG 3.25Å; K816-D820 PolarHBondContact O-N 3.33Å
817	V	82.6	Confident	84.1	Confident	60 Å²	60	56.4 Å²	56.4	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-40.6	177.9	173.7	0	0	0	0	111.8	G813 M814 D820 N821	G813-V817 WeakPolarHBondContact O-CG2 3.48Å; G813-V817 PolarHBondContact O-N 2.56Å; M814-V817 PolarHBondContact O-N 3.28Å; V817-D820 PolarHBondContact O-N 3.08Å; V817-N821 WeakPolarHBondContact O-CB 3.44Å; V817-N821 PolarHBondContact O-N 2.69Å
818	K	82.4	Confident	83.9	Confident	38 Å²	38	57 Å²	57	17%	0.165	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-43	176.3	179.7	-167.7	174.3	-170.8	0	112.3	M240 E243 N244 Q247 M814 E815 K816 D820 R822	M240-K818 HydrophobicContact CB-CD 4.25Å; M240-K818 HydrophobicContact CG-CD 4.18Å; M240-K818 HydrophobicContact SD-CD 4.44Å; E243-K818 WeakPolarHBondContact OE2-CE 3.37Å; E243-K818 IonicContact OE2-NZ 2.92Å; E243-K818 PolarHBondContact OE2-NZ 2.99Å; N244-K818 HydrophobicContact CB-CB 4.44Å; N244-K818 WeakPolarHBondContact OD1-CA 3.34Å; Q247-K818 PolarHBondContact OE1-O 3.43Å; M814-K818 WeakPolarHBondContact O-CB 3.44Å; M814-K818 PolarHBondContact O-N 3.49Å; E815-K818 PolarHBondContact O-N 2.68Å; K816-K818 VanDerWaalsContact C-N 3.28Å; K816-K818 PolarHBondContact O-N 2.91Å; K818-D820 VanDerWaalsContact C-N 3.31Å; K818-R822 VanDerWaalsContact O-CB 3.25Å; K818-R822 WeakPolarHBondContact O-CB 3.49Å; K818-R822 PolarHBondContact O-N 3.35Å
819	L	84.3	Confident	83.4	Confident	78 Å²	78	53.1 Å²	53.1	41%	0.408	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-40.4	177.3	-72.9	174.6	0	0	0	111.3	E815 K816 R822 R823	E815-L819 HydrophobicContact CG-CD1 4.24Å; E815-L819 HydrophobicContact CG-CG 4.47Å; E815-L819 WeakPolarHBondContact O-CG 3.46Å; E815-L819 PolarHBondContact O-N 3Å; K816-L819 PolarHBondContact O-N 3.3Å; K816-L819 VanDerWaalsContact O-N 3.13Å; L819-R822 PolarHBondContact O-N 3.21Å; L819-R823 WeakPolarHBondContact O-CG 3.36Å; L819-R823 PolarHBondContact O-N 3.22Å
820	D	83.2	Confident	83.1	Confident	30 Å²	30	50 Å²	50	16%	0.16	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-51.1	175.7	-73.5	-13.5	0	0	0	111.4	L268 K816 V817 K818 R822 R823 I824	L268-D820 HydrophobicContact CD1-CB 4.15Å; L268-D820 HydrophobicContact CD2-CB 3.53Å; L268-D820 VanDerWaalsContact CD2-CG 3.42Å; L268-D820 HydrophobicContact CG-CB 4.5Å; K816-D820 WeakPolarHBondContact O-CB 3.16Å; K816-D820 VanDerWaalsContact O-CG 3.25Å; K816-D820 PolarHBondContact O-N 3.33Å; V817-D820 PolarHBondContact O-N 3.08Å; K818-D820 VanDerWaalsContact C-N 3.31Å; D820-R822 VanDerWaalsContact C-N 3.29Å; D820-R822 PolarHBondContact O-N 2.87Å; D820-R823 PolarHBondContact O-N 2.86Å; D820-I824 WeakPolarHBondContact O-CG1 3.31Å; D820-I824 PolarHBondContact O-N 3.41Å
821	N	80.9	Confident	82.6	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-37.2	174.7	-84.8	-8.5	0	0	0	112.5	N244 Q247 K264 V817 I824 L825	N244-N821 PolarHBondContact OD1-ND2 3.39Å; Q247-N821 HydrophobicContact CB-CB 4.33Å; K264-N821 VanDerWaalsContact CE-OD1 3.29Å; K264-N821 WeakPolarHBondContact CE-OD1 3.49Å; K264-N821 PolarHBondContact NZ-OD1 2.88Å; V817-N821 WeakPolarHBondContact O-CB 3.44Å; V817-N821 PolarHBondContact O-N 2.69Å; N821-I824 PolarHBondContact O-N 3.31Å; N821-L825 WeakPolarHBondContact O-CB 3.43Å; N821-L825 PolarHBondContact O-N 3.3Å
822	R	81.3	Confident	82	Confident	90 Å²	90	48.4 Å²	48.4	34%	0.34	24%	0.242	S	C	.	.	H	α-helix	trans	-65.9	-38.1	176.6	-174.7	176.4	-177.7	-175	-3.6	112.5	K818 L819 D820 L825 F826	K818-R822 VanDerWaalsContact O-CB 3.25Å; K818-R822 WeakPolarHBondContact O-CB 3.49Å; K818-R822 PolarHBondContact O-N 3.35Å; L819-R822 PolarHBondContact O-N 3.21Å; D820-R822 VanDerWaalsContact C-N 3.29Å; D820-R822 PolarHBondContact O-N 2.87Å; R822-L825 PolarHBondContact O-N 3.28Å; R822-F826 HydrophobicContact CG-CD2 3.87Å; R822-F826 HydrophobicContact CG-CE2 3.41Å; R822-F826 VanDerWaalsContact CG-CE2 3.41Å; R822-F826 HydrophobicContact CG-CZ 4.08Å; R822-F826 WeakPolarHBondContact O-CD2 3.12Å; R822-F826 WeakPolarHBondContact O-CG 2.96Å; R822-F826 PolarHBondContact O-N 2.92Å; R822-F826 VanDerWaalsContact O-N 3.12Å
823	R	81.5	Confident	81.4	Confident	162 Å²	162	45.1 Å²	45.1	61%	0.611	22%	0.224	S	C	*	.	H	α-helix	trans	-63.2	-46.6	175.6	-74.4	176.3	-177.2	-176	1.2	111.3	F267 L819 D820 L825 F826 N827	F267-R823 HydrophobicContact CE1-CB 4.03Å; F267-R823 HydrophobicContact CZ-CB 4.46Å; L819-R823 WeakPolarHBondContact O-CG 3.36Å; L819-R823 PolarHBondContact O-N 3.22Å; D820-R823 PolarHBondContact O-N 2.86Å; R823-L825 VanDerWaalsContact C-N 3.3Å; R823-L825 PolarHBondContact O-N 2.92Å; R823-F826 PolarHBondContact O-N 2.74Å; R823-N827 PolarHBondContact O-N 2.97Å; R823-N827 VanDerWaalsContact O-N 3.14Å
824	I	81.8	Confident	80.8	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-43.7	177.5	-62.7	168.1	0	0	0	110.6	L251 K264 F267 W398 D820 N821 F826 N827 L828	L251-I824 HydrophobicContact CD1-CG2 3.61Å; L251-I824 HydrophobicContact CD2-CG2 3.97Å; L251-I824 HydrophobicContact CG-CG2 4.44Å; K264-I824 HydrophobicContact CB-CD1 3.94Å; K264-I824 HydrophobicContact CD-CD1 4.18Å; K264-I824 HydrophobicContact CG-CD1 3.64Å; F267-I824 HydrophobicContact CD1-CD1 4.38Å; F267-I824 HydrophobicContact CD1-CG1 3.7Å; F267-I824 HydrophobicContact CE1-CG1 4.06Å; F267-I824 HydrophobicContact CG-CG1 4.3Å; W398-I824 HydrophobicContact CZ3-CG2 4.25Å; D820-I824 WeakPolarHBondContact O-CG1 3.31Å; D820-I824 PolarHBondContact O-N 3.41Å; N821-I824 PolarHBondContact O-N 3.31Å; I824-F826 VanDerWaalsContact C-N 3.34Å; I824-F826 PolarHBondContact O-N 2.85Å; I824-N827 WeakPolarHBondContact O-CB 3.49Å; I824-N827 PolarHBondContact O-N 3.27Å; I824-N827 VanDerWaalsContact O-N 3.07Å; I824-L828 PolarHBondContact O-N 3.21Å
825	L	79.1	Confident	80	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-41.3	178.2	178.9	66.1	0	0	0	112.9	L250 N821 R822 R823 N827 L828 L829 A834 L838	L250-L825 HydrophobicContact CB-CD1 4.28Å; L250-L825 HydrophobicContact CD2-CD1 3.33Å; L250-L825 HydrophobicContact CD2-CD2 3.51Å; L250-L825 HydrophobicContact CD2-CG 4.03Å; L250-L825 HydrophobicContact CG-CD1 3.61Å; N821-L825 WeakPolarHBondContact O-CB 3.43Å; N821-L825 PolarHBondContact O-N 3.3Å; R822-L825 PolarHBondContact O-N 3.28Å; R823-L825 VanDerWaalsContact C-N 3.3Å; R823-L825 PolarHBondContact O-N 2.92Å; L825-N827 PolarHBondContact O-N 3.38Å; L825-L828 PolarHBondContact O-N 2.54Å; L825-L829 HydrophobicContact CD1-CD1 4.23Å; L825-L829 PolarHBondContact O-N 3.06Å; L825-A834 HydrophobicContact CD2-CB 4.36Å; L825-A834 HydrophobicContact CG-CB 4.45Å; L825-L838 HydrophobicContact CD2-CD1 3.77Å; L825-L838 HydrophobicContact CD2-CD2 4.36Å; L825-L838 HydrophobicContact CD2-CG 4.33Å
826	F	79.9	Confident	79.3	Confident	54 Å²	54	44.5 Å²	44.5	24%	0.237	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-18.2	176.9	-70.3	-46.6	0	0	0	113.3	R822 R823 I824 L828 L829 A831 A834	R822-F826 HydrophobicContact CG-CD2 3.87Å; R822-F826 HydrophobicContact CG-CE2 3.41Å; R822-F826 VanDerWaalsContact CG-CE2 3.41Å; R822-F826 HydrophobicContact CG-CZ 4.08Å; R822-F826 WeakPolarHBondContact O-CD2 3.12Å; R822-F826 WeakPolarHBondContact O-CG 2.96Å; R822-F826 PolarHBondContact O-N 2.92Å; R822-F826 VanDerWaalsContact O-N 3.12Å; R823-F826 PolarHBondContact O-N 2.74Å; I824-F826 VanDerWaalsContact C-N 3.34Å; I824-F826 PolarHBondContact O-N 2.85Å; F826-L828 VanDerWaalsContact C-N 3.27Å; F826-L829 CarbonylContact C-O 3.55Å; F826-A831 HydrophobicContact CD1-CB 4.05Å; F826-A831 HydrophobicContact CE1-CB 4.08Å; F826-A834 HydrophobicContact CD1-CB 3.72Å; F826-A834 HydrophobicContact CE1-CB 3.58Å
827	N	82.3	Confident	78.4	Confident	26 Å²	26	38.4 Å²	38.4	14%	0.139	18%	0.184	C	C	.	.	H	α-helix	trans	-72.1	-24.7	168.7	-160.5	33.7	0	0	0	112.2	L395 R396 K397 W398 R823 I824 L825	L395-N827 PolarHBondContact O-ND2 2.89Å; L395-N827 PolarHBondContact O-OD1 3.05Å; R396-N827 WeakPolarHBondContact CA-OD1 3.23Å; K397-N827 WeakPolarHBondContact CA-O 3.34Å; K397-N827 PolarHBondContact N-O 3.38Å; W398-N827 VanDerWaalsContact CD2-ND2 3.25Å; W398-N827 WeakPolarHBondContact CZ2-ND2 3.43Å; R823-N827 PolarHBondContact O-N 2.97Å; R823-N827 VanDerWaalsContact O-N 3.14Å; I824-N827 WeakPolarHBondContact O-CB 3.49Å; I824-N827 PolarHBondContact O-N 3.27Å; I824-N827 VanDerWaalsContact O-N 3.07Å; L825-N827 PolarHBondContact O-N 3.38Å
828	L	78.3	Confident	77.6	Confident	17 Å²	17	38 Å²	38	9%	0.089	18%	0.179	C	C	.	.	H	α-helix	trans	-91	-40.9	-179.5	-65.5	167.9	0	0	0	113.2	L251 L254 L255 W398 I824 L825 F826	L251-L828 HydrophobicContact CD1-CD1 3.39Å; L254-L828 HydrophobicContact CB-CD1 4.13Å; L254-L828 HydrophobicContact CD1-CB 3.79Å; L254-L828 HydrophobicContact CD1-CD1 3.69Å; L254-L828 HydrophobicContact CD1-CG 4.29Å; L255-L828 HydrophobicContact CD1-CD2 4.11Å; L255-L828 HydrophobicContact CG-CD2 4.33Å; W398-L828 HydrophobicContact CB-CD2 3.68Å; W398-L828 WeakPolarHBondContact O-CD2 3.16Å; I824-L828 PolarHBondContact O-N 3.21Å; L825-L828 PolarHBondContact O-N 2.54Å; F826-L828 VanDerWaalsContact C-N 3.27Å
829	L	77.7	Confident	76.3	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	20%	0.203	C	C	.	.	S	Bend	trans	-121.4	144.9	-175.7	-64.5	174.6	0	0	0	110.9	L254 F508 L825 F826 A834	L254-L829 HydrophobicContact CD1-CD1 4.28Å; L254-L829 HydrophobicContact CD1-CG 4.19Å; F508-L829 HydrophobicContact CZ-CD1 3.9Å; L825-L829 HydrophobicContact CD1-CD1 4.23Å; L825-L829 PolarHBondContact O-N 3.06Å; F826-L829 CarbonylContact C-O 3.55Å; L829-A834 HydrophobicContact CB-CB 4.19Å
830	P	81.3	Confident	74.8	Confident	2 Å²	2	42 Å²	42	1%	0.013	21%	0.206	C	C	.	.			trans	-55.2	143.3	171.5	-20.2	30.1	0	0	0	111.3	H832 V833 A834 Y999	P830-H832 VanDerWaalsContact C-N 3.29Å; P830-H832 VanDerWaalsContact CB-CE1 3.5Å; P830-H832 WeakPolarHBondContact CB-CE1 3.4Å; P830-H832 PolarHBondContact O-N 2.81Å; P830-V833 HydrophobicContact CB-CB 4.43Å; P830-V833 HydrophobicContact CB-CG2 3.96Å; P830-V833 HydrophobicContact CG-CG2 4.06Å; P830-V833 WeakPolarHBondContact O-CB 3.27Å; P830-V833 PolarHBondContact O-N 3.19Å; P830-A834 PolarHBondContact O-N 3.45Å; P830-Y999 HydrophobicContact CG-CD1 3.54Å; P830-Y999 HydrophobicContact CG-CD2 4.05Å; P830-Y999 HydrophobicContact CG-CE1 3.66Å; P830-Y999 HydrophobicContact CG-CE2 4.15Å; P830-Y999 HydrophobicContact CG-CG 3.73Å
831	A	73.8	Confident	72.9	Confident	49 Å²	49	43.5 Å²	43.5	41%	0.405	21%	0.214	S	C	.	.	H	α-helix	trans	-58.7	-38.7	-170.1	0	0	0	0	0	113.5	F826 Q835	F826-A831 HydrophobicContact CD1-CB 4.05Å; F826-A831 HydrophobicContact CE1-CB 4.08Å; A831-Q835 WeakPolarHBondContact O-CB 3.39Å; A831-Q835 VanDerWaalsContact O-CG 3.24Å; A831-Q835 WeakPolarHBondContact O-CG 3.45Å; A831-Q835 PolarHBondContact O-N 2.89Å
832	H	75.3	Confident	71	Confident	38 Å²	38	47 Å²	47	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-34.4	178.5	61.3	-89.9	0	0	0	112.3	P830 H836 Y863	P830-H832 VanDerWaalsContact C-N 3.29Å; P830-H832 VanDerWaalsContact CB-CE1 3.5Å; P830-H832 WeakPolarHBondContact CB-CE1 3.4Å; P830-H832 PolarHBondContact O-N 2.81Å; H832-H836 PolarHBondContact O-N 3.23Å; H832-H836 VanDerWaalsContact O-N 3.08Å; H832-Y863 AromaticContact CD2-CZ 3.76Å; H832-Y863 PolarHBondContact CD2-OH 2.98Å; H832-Y863 AromaticContact NE2-CZ 3.94Å; H832-Y863 PolarHBondContact NE2-OH 3Å
833	V	76.3	Confident	69.1	Low	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-70.5	-48.3	176	-178.1	0	0	0	0	110.6	P830 Q835 H836 F837 Y863 V991 Y999	P830-V833 HydrophobicContact CB-CB 4.43Å; P830-V833 HydrophobicContact CB-CG2 3.96Å; P830-V833 HydrophobicContact CG-CG2 4.06Å; P830-V833 WeakPolarHBondContact O-CB 3.27Å; P830-V833 PolarHBondContact O-N 3.19Å; V833-Q835 VanDerWaalsContact C-N 3.29Å; V833-Q835 PolarHBondContact O-N 2.81Å; V833-H836 WeakPolarHBondContact O-CB 3.41Å; V833-H836 PolarHBondContact O-N 3.45Å; V833-H836 VanDerWaalsContact O-N 3.14Å; V833-F837 HydrophobicContact CG1-CD2 3.96Å; V833-F837 HydrophobicContact CG1-CE2 3.68Å; V833-F837 VanDerWaalsContact O-CD2 3.23Å; V833-F837 WeakPolarHBondContact O-CD2 3.43Å; V833-F837 PolarHBondContact O-N 2.82Å; V833-Y863 HydrophobicContact CG1-CD1 4.23Å; V833-Y863 HydrophobicContact CG1-CG 4.36Å; V833-Y863 HydrophobicContact CG2-CD1 4Å; V833-Y863 HydrophobicContact CG2-CE1 3.62Å; V833-Y863 HydrophobicContact CG2-CE2 4.35Å; V833-V991 HydrophobicContact CG1-CG2 3.44Å; V833-V991 VanDerWaalsContact CG1-CG2 3.44Å; V833-Y999 HydrophobicContact CG2-CD2 3.74Å; V833-Y999 HydrophobicContact CG2-CE2 3.86Å
834	A	74.3	Confident	66.8	Low	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-38.4	177.6	0	0	0	0	0	111.7	L825 F826 L829 P830 F837 L838	L825-A834 HydrophobicContact CD2-CB 4.36Å; L825-A834 HydrophobicContact CG-CB 4.45Å; F826-A834 HydrophobicContact CD1-CB 3.72Å; F826-A834 HydrophobicContact CE1-CB 3.58Å; L829-A834 HydrophobicContact CB-CB 4.19Å; P830-A834 PolarHBondContact O-N 3.45Å; A834-F837 PolarHBondContact O-N 3.47Å; A834-L838 VanDerWaalsContact O-CB 3.31Å; A834-L838 WeakPolarHBondContact O-CB 3.36Å; A834-L838 WeakPolarHBondContact O-CG 3.18Å; A834-L838 PolarHBondContact O-N 2.88Å
835	Q	70.8	Confident	64.4	Low	77 Å²	77	59.1 Å²	59.1	36%	0.36	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-41.9	173.3	-75.2	177.7	22.2	0	0	112.4	A831 V833 F837 L838 M839	A831-Q835 WeakPolarHBondContact O-CB 3.39Å; A831-Q835 VanDerWaalsContact O-CG 3.24Å; A831-Q835 WeakPolarHBondContact O-CG 3.45Å; A831-Q835 PolarHBondContact O-N 2.89Å; V833-Q835 VanDerWaalsContact C-N 3.29Å; V833-Q835 PolarHBondContact O-N 2.81Å; Q835-F837 VanDerWaalsContact C-N 3.34Å; Q835-F837 PolarHBondContact O-N 2.84Å; Q835-L838 PolarHBondContact O-N 2.62Å; Q835-M839 HydrophobicContact CB-CE 4.26Å; Q835-M839 HydrophobicContact CB-SD 4.43Å; Q835-M839 HydrophobicContact CG-CE 4.1Å; Q835-M839 WeakPolarHBondContact O-CB 3.39Å; Q835-M839 VanDerWaalsContact O-CG 3.26Å; Q835-M839 WeakPolarHBondContact O-CG 3.48Å; Q835-M839 PolarHBondContact O-N 3.11Å
836	H	71.9	Confident	62.3	Low	63 Å²	63	64.4 Å²	64.4	29%	0.292	34%	0.335	S	S	.	.	H	α-helix	trans	-53.8	-50.6	176.4	-177	-92.8	0	0	0	111.3	H832 V833 S840 D861 Y863	H832-H836 PolarHBondContact O-N 3.23Å; H832-H836 VanDerWaalsContact O-N 3.08Å; V833-H836 WeakPolarHBondContact O-CB 3.41Å; V833-H836 PolarHBondContact O-N 3.45Å; V833-H836 VanDerWaalsContact O-N 3.14Å; H836-S840 WeakPolarHBondContact O-CB 3.33Å; H836-S840 PolarHBondContact O-N 2.82Å; H836-S840 VanDerWaalsContact O-N 3.09Å; H836-S840 PolarHBondContact O-OG 3.35Å; H836-D861 PolarHBondContact CE1-O 3.28Å; H836-Y863 HydrophobicContact CB-CD2 4.27Å
837	F	68.3	Low	60	Low	13 Å²	13	66.4 Å²	66.4	6%	0.057	36%	0.356	C	S	.	.	H	α-helix	trans	-75.6	-26.8	-179.3	-67.4	-70.8	0	0	0	114.9	F508 M512 V833 A834 Q835 S840 V991	F508-F837 HydrophobicContact CD2-CB 4.39Å; F508-F837 AromaticContact CD2-CD1 3.52Å; F508-F837 HydrophobicContact CD2-CD1 3.52Å; F508-F837 AromaticContact CD2-CD2 4Å; F508-F837 HydrophobicContact CD2-CD2 4Å; F508-F837 AromaticContact CD2-CE1 3.65Å; F508-F837 HydrophobicContact CD2-CE1 3.65Å; F508-F837 HydrophobicContact CD2-CE2 4.12Å; F508-F837 AromaticContact CD2-CG 3.7Å; F508-F837 HydrophobicContact CD2-CG 3.7Å; F508-F837 AromaticContact CD2-CZ 3.96Å; F508-F837 HydrophobicContact CD2-CZ 3.96Å; F508-F837 AromaticContact CE2-CD1 3.98Å; F508-F837 HydrophobicContact CE2-CD1 3.98Å; F508-F837 AromaticContact CE2-CD2 3.58Å; F508-F837 HydrophobicContact CE2-CD2 3.58Å; F508-F837 AromaticContact CE2-CE1 3.99Å; F508-F837 HydrophobicContact CE2-CE1 3.99Å; F508-F837 AromaticContact CE2-CE2 3.59Å; F508-F837 HydrophobicContact CE2-CE2 3.59Å; F508-F837 AromaticContact CE2-CG 3.78Å; F508-F837 HydrophobicContact CE2-CG 3.78Å; F508-F837 AromaticContact CE2-CZ 3.8Å; F508-F837 HydrophobicContact CE2-CZ 3.8Å; F508-F837 HydrophobicContact CZ-CD2 4.47Å; M512-F837 WeakPolarHBondContact CE-O 3.24Å; V833-F837 HydrophobicContact CG1-CD2 3.96Å; V833-F837 HydrophobicContact CG1-CE2 3.68Å; V833-F837 VanDerWaalsContact O-CD2 3.23Å; V833-F837 WeakPolarHBondContact O-CD2 3.43Å; V833-F837 PolarHBondContact O-N 2.82Å; A834-F837 PolarHBondContact O-N 3.47Å; Q835-F837 VanDerWaalsContact C-N 3.34Å; Q835-F837 PolarHBondContact O-N 2.84Å; F837-S840 PolarHBondContact O-OG 3.4Å; F837-V991 HydrophobicContact CE2-CB 4.21Å; F837-V991 HydrophobicContact CE2-CG1 4.22Å; F837-V991 HydrophobicContact CE2-CG2 3.92Å; F837-V991 HydrophobicContact CZ-CB 4.16Å; F837-V991 HydrophobicContact CZ-CG1 4.16Å; F837-V991 HydrophobicContact CZ-CG2 4.35Å
838	L	65.3	Low	57.5	Low	51 Å²	51	74 Å²	74	27%	0.267	39%	0.39	S	S	.	.	H	α-helix	trans	-80.7	-31.8	176.1	-69.5	174	0	0	0	112.7	Q247 L250 L825 A834 Q835	Q247-L838 HydrophobicContact CG-CD2 4.06Å; L250-L838 HydrophobicContact CD2-CD2 4.33Å; L825-L838 HydrophobicContact CD2-CD1 3.77Å; L825-L838 HydrophobicContact CD2-CD2 4.36Å; L825-L838 HydrophobicContact CD2-CG 4.33Å; A834-L838 VanDerWaalsContact O-CB 3.31Å; A834-L838 WeakPolarHBondContact O-CB 3.36Å; A834-L838 WeakPolarHBondContact O-CG 3.18Å; A834-L838 PolarHBondContact O-N 2.88Å; Q835-L838 PolarHBondContact O-N 2.62Å
839	M	55.3	Low	55.3	Low	133 Å²	133	77.7 Å²	77.7	66%	0.655	42%	0.423	S	S	*	.	H	α-helix	trans	-91.1	-18.9	-178	-64.6	-174.4	-177.9	0	0	113.5	Q835 N841	Q835-M839 HydrophobicContact CB-CE 4.26Å; Q835-M839 HydrophobicContact CB-SD 4.43Å; Q835-M839 HydrophobicContact CG-CE 4.1Å; Q835-M839 WeakPolarHBondContact O-CB 3.39Å; Q835-M839 VanDerWaalsContact O-CG 3.26Å; Q835-M839 WeakPolarHBondContact O-CG 3.48Å; Q835-M839 PolarHBondContact O-N 3.11Å; M839-N841 PolarHBondContact O-N 2.9Å
840	S	52.1	Low	52.9	Low	69 Å²	69	83.6 Å²	83.6	48%	0.483	45%	0.454	S	S	.	.			trans	-70.4	30.8	-179.8	57.7	0	0	0	0	114.8	H836 F837 P842	H836-S840 WeakPolarHBondContact O-CB 3.33Å; H836-S840 PolarHBondContact O-N 2.82Å; H836-S840 VanDerWaalsContact O-N 3.09Å; H836-S840 PolarHBondContact O-OG 3.35Å; F837-S840 PolarHBondContact O-OG 3.4Å; S840-P842 WeakPolarHBondContact O-CD 3.49Å
841	N	43.8	Very low	50.5	Low	60 Å²	60	92.9 Å²	92.9	32%	0.321	50%	0.495	S	S	.	.			trans	-74.3	120.9	176.9	-152.4	50.1	0	0	0	109.6	K246 M839 R843	K246-N841 PolarHBondContact NZ-OD1 2.88Å; K246-N841 VanDerWaalsContact NZ-OD1 3.14Å; M839-N841 PolarHBondContact O-N 2.9Å; N841-R843 PolarHBondContact O-N 2.87Å
842	P	41.4	Very low	48.2	Very low	78 Å²	78	99.1 Å²	99.1	51%	0.506	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.3	-172.6	-12.8	18.8	0	0	0	115.4	S840	S840-P842 WeakPolarHBondContact O-CD 3.49Å
843	R	40.3	Very low	45.9	Very low	184 Å²	184	100.8 Å²	100.8	69%	0.694	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.1	-170.1	-74.4	-176.8	178.8	160.7	3.2	114.8	E515 N841	E515-R843 IonicContact OE2-NH2 2.99Å; E515-R843 PolarHBondContact OE2-NH2 3.48Å; N841-R843 PolarHBondContact O-N 2.87Å
844	N	32.8	Very low	43.7	Very low	141 Å²	141	105.4 Å²	105.4	75%	0.754	57%	0.567	S	S	*	*	S	Bend	trans	-96.2	-6.8	-174.5	-74	-7.5	0	0	0	115
845	M	32.6	Very low	41.4	Very low	182 Å²	182	116.4 Å²	116.4	90%	0.897	61%	0.609	S	S	*	*	S	Bend	trans	-109.8	2	175.3	-73.6	-166.6	80.8	0	0	114.9	S847	M845-S847 PolarHBondContact O-N 3.46Å
846	V	33.9	Very low	39.3	Very low	111 Å²	111	121.9 Å²	121.9	67%	0.673	63%	0.634	S	S	*	*			trans	-99.7	63.6	174.1	-166.8	0	0	0	0	110.3
847	S	32.4	Very low	37.3	Very low	96 Å²	96	123.8 Å²	123.8	67%	0.671	65%	0.65	S	S	*	*	S	Bend	trans	-106.1	106.4	153.8	65.3	0	0	0	0	108.1	M845	M845-S847 PolarHBondContact O-N 3.46Å
848	H	30.4	Very low	35.6	Very low	187 Å²	187	130.8 Å²	130.8	87%	0.866	69%	0.688	S	S	*	*	S	Bend	trans	61.1	79	163	-62	-80.8	0	0	0	117.7
849	A	31.2	Very low	34.3	Very low	93 Å²	93	133.4 Å²	133.4	77%	0.769	70%	0.699	S	S	*	*	S	Bend		176.9	132.9	128.6	0	0	0	0	0	110.2
850	N	28.5	Very low	33.9	Very low	128 Å²	128	131.1 Å²	131.1	68%	0.684	69%	0.687	S	S	*	*			trans	64.3	82.7	165.6	-96.8	-2.4	0	0	0	119.5	Q852	N850-Q852 VanDerWaalsContact C-N 3.25Å; N850-Q852 PolarHBondContact O-N 3.16Å
851	K	29.3	Very low	34	Very low	197 Å²	197	133.1 Å²	133.1	86%	0.857	69%	0.692	S	S	*	*	S	Bend	trans	-81.1	7.9	168.3	-129.4	174.3	-173.7	177.8	0	114.6
852	Q	26.5	Very low	35.1	Very low	181 Å²	181	132.3 Å²	132.3	85%	0.846	69%	0.688	S	S	*	*	S	Bend	trans	-123.8	-10.1	-170.4	-146.5	126.6	-11.1	0	0	115	N850	N850-Q852 VanDerWaalsContact C-N 3.25Å; N850-Q852 PolarHBondContact O-N 3.16Å
853	A	27.4	Very low	36.7	Very low	72 Å²	72	129.3 Å²	129.3	60%	0.595	67%	0.666	S	S	*	*	S	Bend	trans	-94.8	-20.9	174.7	0	0	0	0	0	113.5	R855	A853-R855 PolarHBondContact O-N 2.84Å
854	C	29.3	Very low	38.5	Very low	98 Å²	98	124.7 Å²	124.7	66%	0.662	65%	0.649	S	S	*	*			trans	-96.9	64.8	-179.1	-64.2	0	0	0	0	112.3
855	R	26.5	Very low	40.8	Very low	231 Å²	231	120.8 Å²	120.8	87%	0.872	63%	0.627	S	S	*	*	S	Bend	trans	-116.1	5.8	167.3	-101.2	-175.2	178.7	174.6	0.3	113.7	A853	A853-R855 PolarHBondContact O-N 2.84Å
856	Q	26.5	Very low	43.2	Very low	191 Å²	191	116 Å²	116	89%	0.893	61%	0.611	S	S	*	*	S	Bend	trans	-133.2	10.8	-176.8	-101.2	172.7	-15.1	0	0	115
857	T	30.4	Very low	45.7	Very low	103 Å²	103	111.7 Å²	111.7	63%	0.632	58%	0.583	S	S	*	*			trans	-141.2	55.4	179.2	-29.2	0	0	0	0	110.4	Q859	T857-Q859 PolarHBondContact O-N 3.23Å
858	D	31.3	Very low	48.1	Very low	161 Å²	161	110.8 Å²	110.8	86%	0.861	58%	0.581	S	S	*	*			trans	-78.2	68.2	166.1	-82.2	-27.4	0	0	0	109.2
859	Q	39.3	Very low	50.8	Low	106 Å²	106	105.6 Å²	105.6	50%	0.495	56%	0.557	S	S	.	*			trans	-104.3	96.4	167.5	-116.8	143.7	17.3	0	0	107.2	T857 D861	T857-Q859 PolarHBondContact O-N 3.23Å; Q859-D861 PolarHBondContact O-N 3.14Å
860	Q	47	Very low	53.6	Low	85 Å²	85	101.2 Å²	101.2	40%	0.397	52%	0.521	S	S	.	.			trans	-65.4	110.8	159	-80.5	172.2	-48	0	0	106.2	I506 N513 L862	I506-Q860 HydrophobicContact CD1-CB 3.81Å; I506-Q860 VanDerWaalsContact CD1-OE1 3.25Å; N513-Q860 PolarHBondContact ND2-NE2 3.43Å; Q860-L862 PolarHBondContact O-N 3.46Å
861	D	53.9	Low	56.7	Low	110 Å²	110	95.2 Å²	95.2	59%	0.588	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-61.9	117.3	-163.8	-67.3	-42.9	0	0	0	112.6	H836 Q859	H836-D861 PolarHBondContact CE1-O 3.28Å; Q859-D861 PolarHBondContact O-N 3.14Å
862	L	65.8	Low	59.8	Low	44 Å²	44	85.9 Å²	85.9	23%	0.23	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-58.8	135.2	162.4	-66.9	168.5	0	0	0	108.1	N313 I506 P507 Q860 Y864	N313-L862 HydrophobicContact CB-CD1 4.41Å; I506-L862 HydrophobicContact CG2-CD2 4.24Å; P507-L862 VanDerWaalsContact CD-CD2 3.44Å; P507-L862 HydrophobicContact CG-CD2 3.88Å; Q860-L862 PolarHBondContact O-N 3.46Å; L862-Y864 VanDerWaalsContact O-CD1 3.31Å; L862-Y864 WeakPolarHBondContact O-CD1 3.32Å; L862-Y864 PolarHBondContact O-N 3.29Å
863	Y	74.9	Confident	63.1	Low	15 Å²	15	77.2 Å²	77.2	6%	0.059	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-76.5	117.4	175.1	179.6	-92.5	0	0	0	110	H832 V833 H836 Q865 G990 V991 Y999	H832-Y863 AromaticContact CD2-CZ 3.76Å; H832-Y863 PolarHBondContact CD2-OH 2.98Å; H832-Y863 AromaticContact NE2-CZ 3.94Å; H832-Y863 PolarHBondContact NE2-OH 3Å; V833-Y863 HydrophobicContact CG1-CD1 4.23Å; V833-Y863 HydrophobicContact CG1-CG 4.36Å; V833-Y863 HydrophobicContact CG2-CD1 4Å; V833-Y863 HydrophobicContact CG2-CE1 3.62Å; V833-Y863 HydrophobicContact CG2-CE2 4.35Å; H836-Y863 HydrophobicContact CB-CD2 4.27Å; Y863-Q865 PolarHBondContact OH-OE1 3.42Å; Y863-G990 VanDerWaalsContact O-CA 3.27Å; Y863-G990 WeakPolarHBondContact O-CA 3.49Å; Y863-V991 HydrophobicContact CD1-CG2 3.82Å; Y863-V991 HydrophobicContact CG-CG2 4.34Å; Y863-V991 PolarHBondContact O-N 3.17Å; Y863-Y999 HydrophobicContact CE1-CD2 4.4Å; Y863-Y999 HydrophobicContact CE1-CE2 4.06Å
864	Y	78.6	Confident	66.4	Low	86 Å²	86	74 Å²	74	34%	0.337	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.1	169.2	65.8	-85.7	0	0	0	109.8	Q306 L862 A989	Q306-Y864 HydrophobicContact CB-CD2 4.02Å; Q306-Y864 HydrophobicContact CB-CE1 4.32Å; Q306-Y864 HydrophobicContact CB-CE2 3.54Å; Q306-Y864 HydrophobicContact CG-CD1 4.47Å; Q306-Y864 HydrophobicContact CG-CE1 3.82Å; Q306-Y864 HydrophobicContact CG-CE2 3.91Å; Q306-Y864 PolarHBondContact OE1-OH 2.74Å; L862-Y864 VanDerWaalsContact O-CD1 3.31Å; L862-Y864 WeakPolarHBondContact O-CD1 3.32Å; L862-Y864 PolarHBondContact O-N 3.29Å; Y864-A989 CarbonylContact C-O 3.59Å; Y864-A989 WeakPolarHBondContact CA-O 3.35Å
865	Q	82.1	Confident	69.6	Low	60 Å²	60	69.4 Å²	69.4	28%	0.28	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	132	176.9	-170.9	165.5	-12.5	0	0	110.3	Y863 Y867 A989	Y863-Q865 PolarHBondContact OH-OE1 3.42Å; Q865-Y867 HydrophobicContact CB-CE2 3.77Å; Q865-Y867 HydrophobicContact CG-CD2 4.34Å; Q865-Y867 HydrophobicContact CG-CE1 4.19Å; Q865-Y867 HydrophobicContact CG-CE2 3.68Å; Q865-Y867 PolarHBondContact NE2-OH 3.22Å; Q865-Y867 PolarHBondContact OE1-OH 2.9Å; Q865-A989 PolarHBondContact N-O 3.46Å; Q865-A989 PolarHBondContact O-N 2.96Å
866	S	82.8	Confident	72.9	Confident	82 Å²	82	58.4 Å²	58.4	57%	0.573	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.3	174	-176.1	0	0	0	0	109.9
867	Y	85.4	Confident	76.1	Confident	20 Å²	20	49.5 Å²	49.5	8%	0.078	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130	177	-60.9	-92	0	0	0	108.9	Q865 V870 L935 P986 V987 A989	Q865-Y867 HydrophobicContact CB-CE2 3.77Å; Q865-Y867 HydrophobicContact CG-CD2 4.34Å; Q865-Y867 HydrophobicContact CG-CE1 4.19Å; Q865-Y867 HydrophobicContact CG-CE2 3.68Å; Q865-Y867 PolarHBondContact NE2-OH 3.22Å; Q865-Y867 PolarHBondContact OE1-OH 2.9Å; Y867-V870 VanDerWaalsContact CB-CG2 3.46Å; Y867-V870 HydrophobicContact CG-CG2 4.12Å; Y867-L935 HydrophobicContact CD1-CD2 4.48Å; Y867-L935 HydrophobicContact CD2-CD2 3.72Å; Y867-L935 VanDerWaalsContact CE1-O 3.29Å; Y867-L935 WeakPolarHBondContact CE1-O 3.12Å; Y867-L935 HydrophobicContact CE2-CD2 3.85Å; Y867-L935 HydrophobicContact CG-CD2 4.06Å; Y867-L935 VanDerWaalsContact CZ-O 3.27Å; Y867-L935 PolarHBondContact OH-O 3.07Å; Y867-P986 CarbonylContact O-C 3.59Å; Y867-P986 VanDerWaalsContact O-CA 3.25Å; Y867-P986 WeakPolarHBondContact O-CA 3.25Å; Y867-V987 HydrophobicContact CD2-CG2 4.37Å; Y867-V987 PolarHBondContact N-O 3.38Å; Y867-V987 PolarHBondContact O-N 3.05Å; Y867-V987 VanDerWaalsContact O-O 3.1Å; Y867-A989 HydrophobicContact CD2-CB 4.17Å; Y867-A989 HydrophobicContact CE2-CB 3.62Å
868	A	83.6	Confident	78.9	Confident	76 Å²	76	45.2 Å²	45.2	63%	0.628	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	-29.3	-175.8	0	0	0	0	0	113.5	G985 P986	A868-G985 CarbonylContact O-C 3.58Å; A868-P986 VanDerWaalsContact O-CA 3.27Å; A868-P986 WeakPolarHBondContact O-CA 3.3Å
869	Q	86	Confident	81.6	Confident	79 Å²	79	39.8 Å²	39.8	37%	0.369	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	100.7	-168.8	-75.1	-85.4	-5	0	0	108.9	V947	Q869-V947 HydrophobicContact CB-CG1 4.48Å; Q869-V947 HydrophobicContact CB-CG2 3.78Å; Q869-V947 HydrophobicContact CG-CG2 3.74Å
870	V	91.1	Very high	84	Confident	1 Å²	1	35 Å²	35	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.1	179.4	173.1	0	0	0	0	108.6	Y867 V872 A932 V933 L935 V984 G985 V987	Y867-V870 VanDerWaalsContact CB-CG2 3.46Å; Y867-V870 HydrophobicContact CG-CG2 4.12Å; V870-V872 HydrophobicContact CG1-CG2 4.1Å; V870-A932 HydrophobicContact CG1-CB 4.01Å; V870-V933 WeakPolarHBondContact CA-O 3.46Å; V870-V933 WeakPolarHBondContact CG1-O 3.35Å; V870-L935 HydrophobicContact CG1-CD2 4.04Å; V870-L935 HydrophobicContact CG1-CG 4.13Å; V870-L935 HydrophobicContact CG2-CD2 3.86Å; V870-L935 HydrophobicContact CG2-CG 4.49Å; V870-V984 WeakPolarHBondContact O-CA 3.39Å; V870-G985 PolarHBondContact N-O 2.93Å; V870-G985 PolarHBondContact O-N 2.84Å; V870-G985 VanDerWaalsContact O-N 3.1Å; V870-V987 HydrophobicContact CB-CG1 4.29Å; V870-V987 HydrophobicContact CB-CG2 3.64Å; V870-V987 HydrophobicContact CG1-CG2 3.93Å; V870-V987 HydrophobicContact CG2-CG2 3.44Å; V870-V987 VanDerWaalsContact CG2-CG2 3.44Å
871	G	93.3	Very high	85.5	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.4	169.5	0	0	0	0	0	109.5	A932 V933	G871-A932 CarbonylContact O-C 3.58Å; G871-A932 WeakPolarHBondContact O-CA 3.12Å; G871-V933 PolarHBondContact N-O 3.15Å; G871-V933 VanDerWaalsContact N-O 3.15Å; G871-V933 PolarHBondContact O-N 3.19Å
872	V	94.8	Very high	86.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.8	-179.3	-177.3	0	0	0	0	109	V870 F874 M930 A932 I982 N983 V987 I1001 T1005 V1006 A1009	V870-V872 HydrophobicContact CG1-CG2 4.1Å; V872-F874 HydrophobicContact CG1-CD2 4.16Å; V872-F874 HydrophobicContact CG1-CE2 3.8Å; V872-M930 HydrophobicContact CG1-CE 4.47Å; V872-A932 HydrophobicContact CG2-CB 4.48Å; V872-I982 WeakPolarHBondContact O-CA 3.48Å; V872-N983 PolarHBondContact N-O 3.16Å; V872-N983 PolarHBondContact O-N 2.75Å; V872-N983 VanDerWaalsContact O-N 3.09Å; V872-V987 HydrophobicContact CG2-CG1 4.33Å; V872-I1001 HydrophobicContact CG2-CD1 4.24Å; V872-T1005 HydrophobicContact CG2-CG2 4.11Å; V872-V1006 HydrophobicContact CG2-CG2 4.28Å; V872-A1009 HydrophobicContact CB-CB 3.97Å; V872-A1009 HydrophobicContact CG1-CB 3.83Å
873	L	96.3	Very high	87.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.8	179.5	173.2	145.1	0	0	0	110.3	A875 M930 A931 I954 A958 M961 V980 G981 I982	L873-A875 HydrophobicContact CD2-CB 3.84Å; L873-M930 WeakPolarHBondContact O-CA 3.46Å; L873-A931 HydrophobicContact CD2-CB 4.33Å; L873-A931 PolarHBondContact N-O 3.36Å; L873-A931 PolarHBondContact O-N 3.33Å; L873-I954 HydrophobicContact CB-CD1 3.52Å; L873-I954 HydrophobicContact CB-CG1 3.82Å; L873-I954 HydrophobicContact CD1-CG1 4Å; L873-A958 HydrophobicContact CD1-CB 3.62Å; L873-M961 HydrophobicContact CD2-SD 4.35Å; L873-V980 HydrophobicContact CD1-CG1 3.74Å; L873-V980 HydrophobicContact CG-CG1 3.87Å; L873-G981 WeakPolarHBondContact CA-O 3.43Å; L873-I982 HydrophobicContact CD1-CD1 4.25Å; L873-I982 HydrophobicContact CD1-CG1 4.24Å
874	F	96.2	Very high	88.3	Confident	5 Å²	5	34.1 Å²	34.1	2%	0.022	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.9	164	-77.4	-98.3	0	0	0	107.8	V872 T928 M930 V980 G981 V1006 A1009 D1013 V1152	V872-F874 HydrophobicContact CG1-CD2 4.16Å; V872-F874 HydrophobicContact CG1-CE2 3.8Å; F874-T928 HydrophobicContact CD1-CG2 3.89Å; F874-M930 HydrophobicContact CD1-CG 4.48Å; F874-M930 HydrophobicContact CE1-CB 4.3Å; F874-M930 HydrophobicContact CE1-CG 4Å; F874-M930 HydrophobicContact CE1-SD 4.06Å; F874-M930 HydrophobicContact CE2-CE 4.32Å; F874-M930 HydrophobicContact CE2-CG 4.31Å; F874-M930 HydrophobicContact CZ-CE 3.93Å; F874-M930 HydrophobicContact CZ-CG 3.91Å; F874-M930 HydrophobicContact CZ-SD 3.78Å; F874-V980 CarbonylContact O-C 3.57Å; F874-V980 VanDerWaalsContact O-CA 3.29Å; F874-V980 WeakPolarHBondContact O-CA 3.23Å; F874-G981 PolarHBondContact N-O 3.36Å; F874-G981 PolarHBondContact O-N 2.92Å; F874-V1006 HydrophobicContact CE2-CG1 4Å; F874-V1006 HydrophobicContact CZ-CG1 3.94Å; F874-A1009 HydrophobicContact CD2-CB 3.77Å; F874-A1009 HydrophobicContact CE2-CB 4.02Å; F874-D1013 HydrophobicContact CB-CB 3.77Å; F874-V1152 HydrophobicContact CD1-CG1 4.13Å; F874-V1152 HydrophobicContact CE1-CG1 3.71Å
875	A	96.3	Very high	88.5	Confident	1 Å²	1	34 Å²	34	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	114.3	176.5	0	0	0	0	0	109.2	L873 T928 Y929 M961 L978 R979 V980	L873-A875 HydrophobicContact CD2-CB 3.84Å; A875-T928 CarbonylContact O-C 3.58Å; A875-T928 WeakPolarHBondContact O-CA 3.37Å; A875-Y929 PolarHBondContact N-O 2.71Å; A875-Y929 PolarHBondContact O-N 2.84Å; A875-M961 HydrophobicContact CB-CE 3.66Å; A875-M961 HydrophobicContact CB-SD 4.28Å; A875-L978 HydrophobicContact CB-CD1 4.17Å; A875-R979 CarbonylContact C-O 3.49Å; A875-R979 WeakPolarHBondContact CA-O 3.41Å; A875-V980 HydrophobicContact CB-CG1 4.42Å; A875-V980 HydrophobicContact CB-CG2 3.9Å
876	S	94.6	Very high	88.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.4	-175.5	-69	0	0	0	0	111.3	P878 T928 R979 D1013	S876-P878 WeakPolarHBondContact O-CD 3.35Å; S876-T928 WeakPolarHBondContact OG-CB 3.41Å; S876-T928 WeakPolarHBondContact OG-CG2 3.28Å; S876-T928 PolarHBondContact OG-OG1 2.91Å; S876-R979 PolarHBondContact N-O 2.92Å; S876-R979 PolarHBondContact O-N 2.93Å; S876-D1013 WeakPolarHBondContact CB-OD2 3.3Å; S876-D1013 PolarHBondContact OG-OD2 3.23Å
877	I	94.5	Very high	88.4	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.015	18%	0.18	C	C	.	.			trans	-110.1	91.6	171.5	-51.6	171.1	0	0	0	107.3	N879 F880 L900 I903 S927 F976 L978	I877-N879 PolarHBondContact O-N 3.38Å; I877-F880 HydrophobicContact CB-CB 4.19Å; I877-F880 HydrophobicContact CG2-CB 3.94Å; I877-F880 WeakPolarHBondContact O-CB 3.45Å; I877-F880 PolarHBondContact O-N 2.8Å; I877-L900 HydrophobicContact CD1-CD1 4.35Å; I877-I903 HydrophobicContact CD1-CD1 4.11Å; I877-I903 HydrophobicContact CD1-CG2 3.84Å; I877-S927 PolarHBondContact N-O 3.21Å; I877-S927 PolarHBondContact O-OG 2.82Å; I877-S927 VanDerWaalsContact O-OG 3.1Å; I877-F976 HydrophobicContact CG2-CB 3.89Å; I877-F976 HydrophobicContact CG2-CD1 3.9Å; I877-F976 HydrophobicContact CG2-CG 4.2Å; I877-L978 HydrophobicContact CG1-CD1 4.11Å
878	P	88.5	Confident	87.7	Confident	13 Å²	13	38.9 Å²	38.9	8%	0.084	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-42	-169.1	-22.7	35.6	0	0	0	112.9	S876 F880 N881 V977 R979 I1149	S876-P878 WeakPolarHBondContact O-CD 3.35Å; P878-F880 PolarHBondContact O-N 2.98Å; P878-N881 PolarHBondContact O-ND2 3.44Å; P878-V977 WeakPolarHBondContact CD-O 3.48Å; P878-R979 HydrophobicContact CG-CB 3.97Å; P878-I1149 HydrophobicContact CB-CD1 4.33Å; P878-I1149 HydrophobicContact CG-CD1 4.49Å
879	N	89.4	Confident	87.1	Confident	47 Å²	47	39.3 Å²	39.3	25%	0.251	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	1.7	-178.3	66.5	-32.4	0	0	0	114	I877 N881 D882 F883 E975 V977	I877-N879 PolarHBondContact O-N 3.38Å; N879-N881 PolarHBondContact O-N 3.27Å; N879-D882 PolarHBondContact O-N 2.72Å; N879-F883 PolarHBondContact O-N 3.18Å; N879-E975 PolarHBondContact ND2-O 2.78Å; N879-V977 PolarHBondContact OD1-N 3.04Å; N879-V977 VanDerWaalsContact OD1-N 3.07Å
880	F	88.3	Confident	86.6	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-30.3	172.5	-173	-94.1	0	0	0	112	I877 P878 D882 F883 Y884 C896 L900 F976	I877-F880 HydrophobicContact CB-CB 4.19Å; I877-F880 HydrophobicContact CG2-CB 3.94Å; I877-F880 WeakPolarHBondContact O-CB 3.45Å; I877-F880 PolarHBondContact O-N 2.8Å; P878-F880 PolarHBondContact O-N 2.98Å; F880-D882 VanDerWaalsContact C-N 3.32Å; F880-D882 PolarHBondContact O-N 3.23Å; F880-F883 HydrophobicContact CD2-CD1 4.05Å; F880-F883 AromaticContact CE2-CD1 3.79Å; F880-F883 HydrophobicContact CE2-CD1 3.79Å; F880-F883 HydrophobicContact CE2-CE1 4.14Å; F880-F883 HydrophobicContact CZ-CD1 4.41Å; F880-F883 WeakPolarHBondContact O-CB 3.41Å; F880-F883 PolarHBondContact O-N 3.01Å; F880-Y884 HydrophobicContact CE1-CD2 4.27Å; F880-Y884 WeakPolarHBondContact O-CB 3.43Å; F880-Y884 PolarHBondContact O-N 3.01Å; F880-C896 HydrophobicContact CZ-CB 4.31Å; F880-L900 HydrophobicContact CD2-CD1 4.38Å; F880-L900 HydrophobicContact CE1-CD2 3.91Å; F880-L900 HydrophobicContact CE2-CB 3.74Å; F880-L900 HydrophobicContact CE2-CD1 4.24Å; F880-L900 HydrophobicContact CE2-CD2 4.47Å; F880-L900 HydrophobicContact CE2-CG 4.36Å; F880-L900 HydrophobicContact CZ-CB 3.67Å; F880-L900 HydrophobicContact CZ-CD1 4.46Å; F880-L900 HydrophobicContact CZ-CD2 3.89Å; F880-L900 HydrophobicContact CZ-CG 4.21Å; F880-F976 AromaticContact CD2-CE1 3.99Å; F880-F976 HydrophobicContact CD2-CE1 3.99Å; F880-F976 HydrophobicContact CD2-CZ 4.46Å
881	N	79.8	Confident	86.2	Confident	51 Å²	51	41.4 Å²	41.4	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-39.2	177.1	-70.8	-56.9	0	0	0	112.5	P878 N879 F883 Y884 Q1148	P878-N881 PolarHBondContact O-ND2 3.44Å; N879-N881 PolarHBondContact O-N 3.27Å; N881-F883 VanDerWaalsContact C-N 3.28Å; N881-Y884 PolarHBondContact O-N 2.97Å; N881-Q1148 WeakPolarHBondContact ND2-CB 3.45Å; N881-Q1148 PolarHBondContact ND2-OE1 3.05Å; N881-Q1148 PolarHBondContact OD1-NE2 2.92Å; N881-Q1148 PolarHBondContact OD1-OE1 3.25Å
882	D	83	Confident	85.6	Confident	105 Å²	105	42.6 Å²	42.6	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-71.5	-29.9	178.3	-53.5	-43.2	0	0	0	111.2	N879 F880	N879-D882 PolarHBondContact O-N 2.72Å; F880-D882 VanDerWaalsContact C-N 3.32Å; F880-D882 PolarHBondContact O-N 3.23Å
883	F	84.8	Confident	85.1	Confident	60 Å²	60	42.6 Å²	42.6	26%	0.263	24%	0.241	S	C	.	.	H	α-helix	trans	-74.6	-29.9	173.1	174.8	-101.6	0	0	0	113.3	N879 F880 N881 I885 C896 L899 F976	N879-F883 PolarHBondContact O-N 3.18Å; F880-F883 HydrophobicContact CD2-CD1 4.05Å; F880-F883 AromaticContact CE2-CD1 3.79Å; F880-F883 HydrophobicContact CE2-CD1 3.79Å; F880-F883 HydrophobicContact CE2-CE1 4.14Å; F880-F883 HydrophobicContact CZ-CD1 4.41Å; F880-F883 WeakPolarHBondContact O-CB 3.41Å; F880-F883 PolarHBondContact O-N 3.01Å; N881-F883 VanDerWaalsContact C-N 3.28Å; F883-I885 PolarHBondContact O-N 3.27Å; F883-I885 VanDerWaalsContact O-N 3.08Å; F883-C896 HydrophobicContact CD1-CB 4.18Å; F883-C896 HydrophobicContact CE1-CB 3.73Å; F883-C896 VanDerWaalsContact CE1-SG 3.51Å; F883-L899 HydrophobicContact CE1-CD2 3.98Å; F883-L899 HydrophobicContact CE2-CD2 4.48Å; F883-L899 HydrophobicContact CZ-CD2 3.67Å; F883-F976 HydrophobicContact CB-CE1 3.94Å; F883-F976 HydrophobicContact CB-CZ 4.48Å; F883-F976 AromaticContact CD1-CE1 3.97Å; F883-F976 HydrophobicContact CD1-CE1 3.97Å; F883-F976 AromaticContact CD1-CZ 3.82Å; F883-F976 HydrophobicContact CD1-CZ 3.82Å; F883-F976 HydrophobicContact CD2-CE1 4.3Å; F883-F976 HydrophobicContact CD2-CZ 4.07Å; F883-F976 AromaticContact CE1-CZ 3.98Å; F883-F976 HydrophobicContact CE1-CZ 3.98Å; F883-F976 HydrophobicContact CE2-CZ 4.23Å; F883-F976 AromaticContact CG-CE1 3.81Å; F883-F976 HydrophobicContact CG-CE1 3.81Å; F883-F976 AromaticContact CG-CZ 3.86Å; F883-F976 HydrophobicContact CG-CZ 3.86Å; F883-F976 HydrophobicContact CZ-CZ 4.2Å
884	Y	84.9	Confident	84.7	Confident	19 Å²	19	44 Å²	44	8%	0.075	25%	0.25	C	C	.	.			trans	-73.8	103.9	-176.2	-178.4	-97	0	0	0	111	F880 N881 E886 C896 L897	F880-Y884 HydrophobicContact CE1-CD2 4.27Å; F880-Y884 WeakPolarHBondContact O-CB 3.43Å; F880-Y884 PolarHBondContact O-N 3.01Å; N881-Y884 PolarHBondContact O-N 2.97Å; Y884-E886 HydrophobicContact CD1-CG 4.49Å; Y884-E886 HydrophobicContact CE1-CG 3.6Å; Y884-E886 WeakPolarHBondContact CE1-OE1 3.22Å; Y884-E886 PolarHBondContact OH-OE1 2.81Å; Y884-C896 HydrophobicContact CD2-CB 3.9Å; Y884-L897 HydrophobicContact CE2-CD2 4.26Å; Y884-L897 HydrophobicContact CE2-CG 4.22Å
885	I	83.1	Confident	84.3	Confident	83 Å²	83	46.9 Å²	46.9	43%	0.426	26%	0.263	S	S	.	.			trans	-122.2	129.8	179.8	57.9	174.4	0	0	0	111.8	F883 L887 N890	F883-I885 PolarHBondContact O-N 3.27Å; F883-I885 VanDerWaalsContact O-N 3.08Å; I885-L887 HydrophobicContact CB-CG 4.46Å; I885-L887 HydrophobicContact CD1-CD1 3.87Å; I885-L887 HydrophobicContact CD1-CG 4.4Å; I885-L887 PolarHBondContact O-N 3.13Å; I885-N890 PolarHBondContact O-ND2 3.3Å
886	E	81.5	Confident	84	Confident	26 Å²	26	46.9 Å²	46.9	12%	0.121	26%	0.263	C	S	.	.			trans	-95.9	68.5	180	-61.4	-174.5	178.8	0	0	111	R387 N405 Y884	R387-E886 IonicContact CZ-OE2 3.16Å; R387-E886 IonicContact NE-OE2 2.69Å; R387-E886 PolarHBondContact NE-OE2 3.46Å; R387-E886 IonicContact NH2-OE2 3.96Å; R387-E886 PolarHBondContact NH2-OE2 2.98Å; N405-E886 PolarHBondContact N-OE1 3.46Å; Y884-E886 HydrophobicContact CD1-CG 4.49Å; Y884-E886 HydrophobicContact CE1-CG 3.6Å; Y884-E886 WeakPolarHBondContact CE1-OE1 3.22Å; Y884-E886 PolarHBondContact OH-OE1 2.81Å
887	L	81.1	Confident	83.8	Confident	105 Å²	105	47 Å²	47	55%	0.55	26%	0.264	S	S	.	.			trans	-103.3	153.2	176.8	-61.9	179.7	0	0	0	112.2	I885 G889 N890 N891 M892	I885-L887 HydrophobicContact CB-CG 4.46Å; I885-L887 HydrophobicContact CD1-CD1 3.87Å; I885-L887 HydrophobicContact CD1-CG 4.4Å; I885-L887 PolarHBondContact O-N 3.13Å; L887-G889 VanDerWaalsContact C-N 3.28Å; L887-G889 PolarHBondContact O-N 3.4Å; L887-N890 HydrophobicContact CB-CB 4.47Å; L887-N890 CarbonylContact O-C 3.59Å; L887-N890 WeakPolarHBondContact O-CA 3.41Å; L887-N890 PolarHBondContact O-N 2.95Å; L887-N891 PolarHBondContact O-N 3.36Å; L887-M892 PolarHBondContact O-N 2.78Å
888	D	71.4	Confident	83.6	Confident	135 Å²	135	50.1 Å²	50.1	72%	0.722	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-58.6	-39.7	178.1	-73.5	-35.8	0	0	0	111.9	N890 N891 M892	D888-N890 PolarHBondContact O-N 2.97Å; D888-N891 PolarHBondContact O-N 3.4Å; D888-M892 HydrophobicContact CB-CE 4.26Å; D888-M892 WeakPolarHBondContact OD1-CE 3.47Å
889	G	69.9	Low	83.7	Confident	85 Å²	85	51.1 Å²	51.1	88%	0.876	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-65.8	-16.2	175.5	0	0	0	0	0	114.6	L887	L887-G889 VanDerWaalsContact C-N 3.28Å; L887-G889 PolarHBondContact O-N 3.4Å
890	N	77	Confident	83.8	Confident	28 Å²	28	49 Å²	49	15%	0.15	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-108.7	21.4	179.8	-168.9	32.8	0	0	0	112.4	I885 L887 D888 M892 G893 V894 E895 C896	I885-N890 PolarHBondContact O-ND2 3.3Å; L887-N890 HydrophobicContact CB-CB 4.47Å; L887-N890 CarbonylContact O-C 3.59Å; L887-N890 WeakPolarHBondContact O-CA 3.41Å; L887-N890 PolarHBondContact O-N 2.95Å; D888-N890 PolarHBondContact O-N 2.97Å; N890-M892 PolarHBondContact O-N 3.3Å; N890-M892 VanDerWaalsContact O-N 3.12Å; N890-G893 PolarHBondContact O-N 3.5Å; N890-V894 PolarHBondContact O-N 3.21Å; N890-E895 WeakPolarHBondContact OD1-CB 3.47Å; N890-E895 WeakPolarHBondContact OD1-CG 3.31Å; N890-C896 PolarHBondContact ND2-SG 2.95Å
891	N	81.4	Confident	84	Confident	96 Å²	96	48.9 Å²	48.9	51%	0.513	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	49.3	39.6	-173.7	-67.6	-31.5	0	0	0	112.4	L887 D888 G893 V894 E895	L887-N891 PolarHBondContact O-N 3.36Å; D888-N891 PolarHBondContact O-N 3.4Å; N891-G893 VanDerWaalsContact C-N 3.3Å; N891-G893 PolarHBondContact O-N 3.26Å; N891-V894 HydrophobicContact CB-CB 4.04Å; N891-V894 VanDerWaalsContact O-CG2 3.3Å; N891-V894 WeakPolarHBondContact O-CG2 3.39Å; N891-V894 PolarHBondContact O-N 2.89Å; N891-E895 HydrophobicContact CB-CG 4.48Å; N891-E895 PolarHBondContact ND2-OE1 3.26Å
892	M	81.8	Confident	84.6	Confident	27 Å²	27	47.6 Å²	47.6	13%	0.133	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	58.7	34.8	-178.8	-51.9	-94.5	92.9	0	0	114.3	R282 L887 D888 N890	R282-M892 VanDerWaalsContact NH1-CG 3.31Å; L887-M892 PolarHBondContact O-N 2.78Å; D888-M892 HydrophobicContact CB-CE 4.26Å; D888-M892 WeakPolarHBondContact OD1-CE 3.47Å; N890-M892 PolarHBondContact O-N 3.3Å; N890-M892 VanDerWaalsContact O-N 3.12Å
893	G	83.3	Confident	85.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	97.6	-2.7	176.1	0	0	0	0	0	114.8	N890 N891 E895 C896 L897	N890-G893 PolarHBondContact O-N 3.5Å; N891-G893 VanDerWaalsContact C-N 3.3Å; N891-G893 PolarHBondContact O-N 3.26Å; G893-E895 VanDerWaalsContact C-N 3.35Å; G893-E895 PolarHBondContact O-N 2.81Å; G893-C896 WeakPolarHBondContact O-CB 3.24Å; G893-C896 PolarHBondContact O-N 2.83Å; G893-L897 PolarHBondContact O-N 3.35Å
894	V	87.6	Confident	85.5	Confident	28 Å²	28	40.1 Å²	40.1	17%	0.17	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-37.3	178.9	173.6	0	0	0	0	112.3	I278 L389 N890 N891 L897 R898	I278-V894 HydrophobicContact CD1-CG1 3.66Å; L389-V894 HydrophobicContact CD1-CG2 3.95Å; L389-V894 HydrophobicContact CD2-CG2 3.91Å; N890-V894 PolarHBondContact O-N 3.21Å; N891-V894 HydrophobicContact CB-CB 4.04Å; N891-V894 VanDerWaalsContact O-CG2 3.3Å; N891-V894 WeakPolarHBondContact O-CG2 3.39Å; N891-V894 PolarHBondContact O-N 2.89Å; V894-L897 PolarHBondContact O-N 2.67Å; V894-R898 PolarHBondContact O-N 2.8Å
895	E	87.4	Confident	85.9	Confident	66 Å²	66	39.2 Å²	39.2	31%	0.308	22%	0.22	S	C	.	.	H	α-helix	trans	-71.7	-32.9	179.5	-39	-75.5	107.1	0	0	111.6	N890 N891 G893 L897 R898 L899	N890-E895 WeakPolarHBondContact OD1-CB 3.47Å; N890-E895 WeakPolarHBondContact OD1-CG 3.31Å; N891-E895 HydrophobicContact CB-CG 4.48Å; N891-E895 PolarHBondContact ND2-OE1 3.26Å; G893-E895 VanDerWaalsContact C-N 3.35Å; G893-E895 PolarHBondContact O-N 2.81Å; E895-L897 VanDerWaalsContact C-N 3.31Å; E895-L897 PolarHBondContact O-N 2.73Å; E895-R898 WeakPolarHBondContact O-CB 3.44Å; E895-R898 PolarHBondContact O-N 3.03Å; E895-R898 VanDerWaalsContact O-N 3.11Å; E895-R898 IonicContact OE1-CZ 3.3Å; E895-R898 IonicContact OE1-NH1 2.7Å; E895-R898 PolarHBondContact OE1-NH1 3.2Å; E895-R898 IonicContact OE1-NH2 3.55Å; E895-R898 PolarHBondContact OE1-NH2 2.66Å; E895-R898 IonicContact OE2-CZ 3.99Å; E895-R898 IonicContact OE2-NH1 3Å; E895-R898 PolarHBondContact OE2-NH1 3.19Å; E895-R898 IonicContact OE2-NH2 3.01Å; E895-L899 PolarHBondContact O-N 3.13Å
896	C	89.9	Confident	86.4	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-43.7	171.2	-68.7	0	0	0	0	111	F880 F883 Y884 N890 G893 R898 L899 L900	F880-C896 HydrophobicContact CZ-CB 4.31Å; F883-C896 HydrophobicContact CD1-CB 4.18Å; F883-C896 HydrophobicContact CE1-CB 3.73Å; F883-C896 VanDerWaalsContact CE1-SG 3.51Å; Y884-C896 HydrophobicContact CD2-CB 3.9Å; N890-C896 PolarHBondContact ND2-SG 2.95Å; G893-C896 WeakPolarHBondContact O-CB 3.24Å; G893-C896 PolarHBondContact O-N 2.83Å; C896-R898 VanDerWaalsContact C-N 3.28Å; C896-R898 PolarHBondContact O-N 3.01Å; C896-L899 PolarHBondContact O-N 3.45Å; C896-L900 PolarHBondContact O-N 3.27Å
897	L	90.5	Very high	87	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-68.1	-27.2	175.6	-64.6	-179.5	0	0	0	112.7	I280 L389 W403 Y884 G893 V894 E895 L900 N901	I280-L897 HydrophobicContact CD1-CB 3.68Å; I280-L897 HydrophobicContact CD1-CD1 3.78Å; I280-L897 HydrophobicContact CD1-CG 4.4Å; L389-L897 HydrophobicContact CB-CD1 4.15Å; L389-L897 HydrophobicContact CD1-CD1 3.63Å; W403-L897 HydrophobicContact CB-CD1 3.92Å; W403-L897 HydrophobicContact CB-CD2 4.17Å; W403-L897 HydrophobicContact CD2-CD1 4.25Å; W403-L897 HydrophobicContact CD2-CD2 4.45Å; W403-L897 HydrophobicContact CE3-CD1 4.27Å; W403-L897 HydrophobicContact CG-CD1 4.12Å; W403-L897 HydrophobicContact CG-CD2 3.95Å; Y884-L897 HydrophobicContact CE2-CD2 4.26Å; Y884-L897 HydrophobicContact CE2-CG 4.22Å; G893-L897 PolarHBondContact O-N 3.35Å; V894-L897 PolarHBondContact O-N 2.67Å; E895-L897 VanDerWaalsContact C-N 3.31Å; E895-L897 PolarHBondContact O-N 2.73Å; L897-L900 HydrophobicContact CD2-CD2 4.23Å; L897-L900 PolarHBondContact O-N 2.83Å; L897-N901 WeakPolarHBondContact O-CB 3.49Å; L897-N901 PolarHBondContact O-N 3.04Å
898	R	90.2	Very high	87.6	Confident	70 Å²	70	31.3 Å²	31.3	26%	0.264	18%	0.179	S	C	.	.	H	α-helix	trans	-66.1	-43.6	171.9	-163.7	175.3	-54.5	103	2.1	111.5	I278 V894 E895 C896 L900 N901 E902	I278-R898 HydrophobicContact CD1-CB 4.02Å; I278-R898 HydrophobicContact CD1-CG 4.27Å; I278-R898 HydrophobicContact CG1-CG 4.46Å; I278-R898 HydrophobicContact CG2-CB 4.41Å; I278-R898 HydrophobicContact CG2-CG 4.05Å; V894-R898 PolarHBondContact O-N 2.8Å; E895-R898 WeakPolarHBondContact O-CB 3.44Å; E895-R898 PolarHBondContact O-N 3.03Å; E895-R898 VanDerWaalsContact O-N 3.11Å; E895-R898 IonicContact OE1-CZ 3.3Å; E895-R898 IonicContact OE1-NH1 2.7Å; E895-R898 PolarHBondContact OE1-NH1 3.2Å; E895-R898 IonicContact OE1-NH2 3.55Å; E895-R898 PolarHBondContact OE1-NH2 2.66Å; E895-R898 IonicContact OE2-CZ 3.99Å; E895-R898 IonicContact OE2-NH1 3Å; E895-R898 PolarHBondContact OE2-NH1 3.19Å; E895-R898 IonicContact OE2-NH2 3.01Å; C896-R898 VanDerWaalsContact C-N 3.28Å; C896-R898 PolarHBondContact O-N 3.01Å; R898-L900 VanDerWaalsContact C-N 3.34Å; R898-N901 VanDerWaalsContact O-CB 3.28Å; R898-N901 WeakPolarHBondContact O-CB 3.44Å; R898-N901 PolarHBondContact O-N 3.47Å; R898-N901 VanDerWaalsContact O-N 3.15Å; R898-E902 PolarHBondContact O-N 3.4Å; R898-E902 VanDerWaalsContact O-N 3.1Å
899	L	90.7	Very high	88.6	Confident	34 Å²	34	29.5 Å²	29.5	18%	0.178	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-41.3	175.4	-173.1	57.3	0	0	0	111.6	F883 E895 C896 N901 E902 I903 I968 F976	F883-L899 HydrophobicContact CE1-CD2 3.98Å; F883-L899 HydrophobicContact CE2-CD2 4.48Å; F883-L899 HydrophobicContact CZ-CD2 3.67Å; E895-L899 PolarHBondContact O-N 3.13Å; C896-L899 PolarHBondContact O-N 3.45Å; L899-N901 VanDerWaalsContact C-N 3.27Å; L899-N901 PolarHBondContact O-N 2.88Å; L899-E902 PolarHBondContact O-N 2.86Å; L899-I903 WeakPolarHBondContact O-CG1 3.45Å; L899-I903 PolarHBondContact O-N 3.18Å; L899-I903 VanDerWaalsContact O-N 3.12Å; L899-I968 HydrophobicContact CD1-CG2 4.43Å; L899-F976 HydrophobicContact CD2-CE2 3.6Å; L899-F976 HydrophobicContact CD2-CZ 3.8Å; L899-F976 HydrophobicContact CG-CE2 4.19Å
900	L	92.3	Very high	89.8	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-38.1	172.3	-175.9	60.9	0	0	0	112.3	L393 I877 F880 C896 L897 R898 I903 I904	L393-L900 HydrophobicContact CD1-CD2 4.17Å; I877-L900 HydrophobicContact CD1-CD1 4.35Å; F880-L900 HydrophobicContact CD2-CD1 4.38Å; F880-L900 HydrophobicContact CE1-CD2 3.91Å; F880-L900 HydrophobicContact CE2-CB 3.74Å; F880-L900 HydrophobicContact CE2-CD1 4.24Å; F880-L900 HydrophobicContact CE2-CD2 4.47Å; F880-L900 HydrophobicContact CE2-CG 4.36Å; F880-L900 HydrophobicContact CZ-CB 3.67Å; F880-L900 HydrophobicContact CZ-CD1 4.46Å; F880-L900 HydrophobicContact CZ-CD2 3.89Å; F880-L900 HydrophobicContact CZ-CG 4.21Å; C896-L900 PolarHBondContact O-N 3.27Å; L897-L900 HydrophobicContact CD2-CD2 4.23Å; L897-L900 PolarHBondContact O-N 2.83Å; R898-L900 VanDerWaalsContact C-N 3.34Å; L900-I903 PolarHBondContact O-N 2.8Å; L900-I904 HydrophobicContact CD1-CD1 4.17Å; L900-I904 HydrophobicContact CD1-CG1 4.41Å; L900-I904 HydrophobicContact CG-CD1 3.9Å; L900-I904 WeakPolarHBondContact O-CG1 3.48Å; L900-I904 PolarHBondContact O-N 3.2Å
901	N	92.8	Very high	90.4	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-42.7	176.2	-172.7	69.5	0	0	0	112	I278 L393 G394 L897 R898 L899 I904 A905	I278-N901 HydrophobicContact CG2-CB 3.58Å; L393-N901 WeakPolarHBondContact CA-OD1 3.42Å; L393-N901 HydrophobicContact CD2-CB 3.94Å; G394-N901 PolarHBondContact N-OD1 3.42Å; L897-N901 WeakPolarHBondContact O-CB 3.49Å; L897-N901 PolarHBondContact O-N 3.04Å; R898-N901 VanDerWaalsContact O-CB 3.28Å; R898-N901 WeakPolarHBondContact O-CB 3.44Å; R898-N901 PolarHBondContact O-N 3.47Å; R898-N901 VanDerWaalsContact O-N 3.15Å; L899-N901 VanDerWaalsContact C-N 3.27Å; L899-N901 PolarHBondContact O-N 2.88Å; N901-I904 PolarHBondContact O-N 3.27Å; N901-A905 VanDerWaalsContact O-CB 3.23Å; N901-A905 WeakPolarHBondContact O-CB 3.37Å; N901-A905 PolarHBondContact O-N 3.42Å
902	E	91.7	Very high	90.8	Very high	25 Å²	25	24.8 Å²	24.8	12%	0.117	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-43.6	176.9	-62.5	-51.9	144.1	0	0	111.1	F275 H276 R898 L899 I904 A905 D906	F275-E902 HydrophobicContact CD1-CG 4.29Å; H276-E902 WeakPolarHBondContact CB-OE1 3.33Å; H276-E902 IonicContact CE1-OE2 2.73Å; H276-E902 IonicContact CG-OE2 3Å; H276-E902 PolarHBondContact N-OE1 2.91Å; H276-E902 IonicContact ND1-OE1 3.86Å; H276-E902 IonicContact ND1-OE2 2.62Å; H276-E902 PolarHBondContact ND1-OE2 3.28Å; R898-E902 PolarHBondContact O-N 3.4Å; R898-E902 VanDerWaalsContact O-N 3.1Å; L899-E902 PolarHBondContact O-N 2.86Å; E902-I904 VanDerWaalsContact C-N 3.33Å; E902-I904 PolarHBondContact O-N 3.21Å; E902-A905 WeakPolarHBondContact O-CB 3.26Å; E902-A905 PolarHBondContact O-N 2.72Å; E902-A905 VanDerWaalsContact O-N 3.11Å; E902-D906 PolarHBondContact O-N 2.86Å
903	I	93.4	Very high	91.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-46.1	175.3	-61.9	165	0	0	0	111.5	I877 L899 L900 A905 D906 F907 L965 I968 F976	I877-I903 HydrophobicContact CD1-CD1 4.11Å; I877-I903 HydrophobicContact CD1-CG2 3.84Å; L899-I903 WeakPolarHBondContact O-CG1 3.45Å; L899-I903 PolarHBondContact O-N 3.18Å; L899-I903 VanDerWaalsContact O-N 3.12Å; L900-I903 PolarHBondContact O-N 2.8Å; I903-A905 VanDerWaalsContact C-N 3.34Å; I903-D906 PolarHBondContact O-N 3.18Å; I903-F907 HydrophobicContact CG2-CD2 4.16Å; I903-F907 HydrophobicContact CG2-CE1 4.28Å; I903-F907 HydrophobicContact CG2-CE2 3.56Å; I903-F907 HydrophobicContact CG2-CZ 3.63Å; I903-F907 VanDerWaalsContact O-CG 3.28Å; I903-F907 WeakPolarHBondContact O-CG 3.37Å; I903-F907 PolarHBondContact O-N 3.11Å; I903-F907 VanDerWaalsContact O-N 3.1Å; I903-L965 HydrophobicContact CD1-CD1 4.15Å; I903-L965 HydrophobicContact CG1-CD1 4.28Å; I903-L965 HydrophobicContact CG2-CD1 3.99Å; I903-I968 HydrophobicContact CB-CD1 4.07Å; I903-I968 HydrophobicContact CG1-CD1 3.7Å; I903-I968 HydrophobicContact CG1-CG2 3.92Å; I903-I968 HydrophobicContact CG2-CD1 4.32Å; I903-F976 HydrophobicContact CD1-CD2 4.02Å; I903-F976 HydrophobicContact CD1-CE2 4.24Å
904	I	94.3	Very high	91.3	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.036	17%	0.17	C	C	.	.	H	α-helix	trans	-67.3	-36.7	178	-66.5	169.4	0	0	0	111.2	L393 L900 N901 E902 F907 D908 T924 Y929	L393-I904 HydrophobicContact CB-CD1 4.39Å; L393-I904 HydrophobicContact CD1-CD1 4.37Å; L900-I904 HydrophobicContact CD1-CD1 4.17Å; L900-I904 HydrophobicContact CD1-CG1 4.41Å; L900-I904 HydrophobicContact CG-CD1 3.9Å; L900-I904 WeakPolarHBondContact O-CG1 3.48Å; L900-I904 PolarHBondContact O-N 3.2Å; N901-I904 PolarHBondContact O-N 3.27Å; E902-I904 VanDerWaalsContact C-N 3.33Å; E902-I904 PolarHBondContact O-N 3.21Å; I904-F907 PolarHBondContact O-N 3.46Å; I904-D908 WeakPolarHBondContact O-CB 3.41Å; I904-D908 PolarHBondContact O-N 2.98Å; I904-T924 HydrophobicContact CD1-CG2 4.13Å; I904-T924 HydrophobicContact CG2-CG2 4.09Å; I904-Y929 HydrophobicContact CG2-CD2 4.44Å; I904-Y929 HydrophobicContact CG2-CE2 4.27Å
905	A	92.5	Very high	91.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-44.9	177.4	0	0	0	0	0	111	L395 N901 E902 I903 F907 D908 E909	L395-A905 HydrophobicContact CD1-CB 3.91Å; L395-A905 HydrophobicContact CD2-CB 4.46Å; L395-A905 HydrophobicContact CG-CB 3.83Å; N901-A905 VanDerWaalsContact O-CB 3.23Å; N901-A905 WeakPolarHBondContact O-CB 3.37Å; N901-A905 PolarHBondContact O-N 3.42Å; E902-A905 WeakPolarHBondContact O-CB 3.26Å; E902-A905 PolarHBondContact O-N 2.72Å; E902-A905 VanDerWaalsContact O-N 3.11Å; I903-A905 VanDerWaalsContact C-N 3.34Å; A905-F907 VanDerWaalsContact C-N 3.33Å; A905-F907 PolarHBondContact O-N 2.67Å; A905-D908 CarbonylContact O-C 3.4Å; A905-D908 WeakPolarHBondContact O-CA 3.49Å; A905-D908 WeakPolarHBondContact O-CB 3.46Å; A905-D908 PolarHBondContact O-N 3.4Å; A905-E909 WeakPolarHBondContact O-CG 3.45Å; A905-E909 PolarHBondContact O-N 2.87Å
906	D	93.5	Very high	91.4	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-36.7	178.1	-68.9	-8.6	0	0	0	111.7	E902 I903 D908 E909 L910 V964 I968	E902-D906 PolarHBondContact O-N 2.86Å; I903-D906 PolarHBondContact O-N 3.18Å; D906-D908 VanDerWaalsContact C-N 3.34Å; D906-E909 PolarHBondContact O-N 2.86Å; D906-L910 WeakPolarHBondContact O-CB 3.24Å; D906-L910 PolarHBondContact O-N 3.38Å; D906-V964 HydrophobicContact CB-CG1 3.59Å; D906-I968 HydrophobicContact CB-CD1 4.14Å; D906-I968 WeakPolarHBondContact OD2-CD1 3.27Å; D906-I968 WeakPolarHBondContact OD2-CG1 3.49Å
907	F	95.3	Very high	91.1	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-36.1	170	-64.9	-17.6	0	0	0	112.8	I903 I904 A905 L910 Y929 Y957 M961 V964 L978	I903-F907 HydrophobicContact CG2-CD2 4.16Å; I903-F907 HydrophobicContact CG2-CE1 4.28Å; I903-F907 HydrophobicContact CG2-CE2 3.56Å; I903-F907 HydrophobicContact CG2-CZ 3.63Å; I903-F907 VanDerWaalsContact O-CG 3.28Å; I903-F907 WeakPolarHBondContact O-CG 3.37Å; I903-F907 PolarHBondContact O-N 3.11Å; I903-F907 VanDerWaalsContact O-N 3.1Å; I904-F907 PolarHBondContact O-N 3.46Å; A905-F907 VanDerWaalsContact C-N 3.33Å; A905-F907 PolarHBondContact O-N 2.67Å; F907-L910 WeakPolarHBondContact O-CB 3.35Å; F907-Y929 HydrophobicContact CB-CD2 4.41Å; F907-Y929 HydrophobicContact CB-CE2 4.07Å; F907-Y929 HydrophobicContact CD2-CD2 4.21Å; F907-Y929 HydrophobicContact CD2-CG 4.45Å; F907-Y957 PolarHBondContact O-OH 2.77Å; F907-M961 HydrophobicContact CB-CE 4.46Å; F907-M961 HydrophobicContact CD1-CB 4.4Å; F907-M961 HydrophobicContact CD1-CE 4.04Å; F907-M961 HydrophobicContact CD1-CG 4.13Å; F907-M961 HydrophobicContact CD2-CE 3.47Å; F907-M961 VanDerWaalsContact CD2-CE 3.47Å; F907-M961 HydrophobicContact CE1-CB 4.03Å; F907-M961 HydrophobicContact CE1-CE 4.08Å; F907-M961 HydrophobicContact CE1-CG 4.24Å; F907-M961 HydrophobicContact CE2-CE 3.51Å; F907-M961 HydrophobicContact CG-CE 3.74Å; F907-M961 HydrophobicContact CZ-CB 4.48Å; F907-M961 HydrophobicContact CZ-CE 3.83Å; F907-V964 HydrophobicContact CD1-CB 4.42Å; F907-V964 HydrophobicContact CD1-CG1 3.94Å; F907-V964 HydrophobicContact CE1-CB 4.24Å; F907-V964 HydrophobicContact CE1-CG1 3.96Å; F907-L978 HydrophobicContact CE2-CD1 4.48Å; F907-L978 HydrophobicContact CZ-CD1 4.29Å
908	D	93.5	Very high	90.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-69.1	-40.2	175.8	-74.1	-16.2	0	0	0	111.6	L395 R396 I904 A905 D906 L910 M911 K921 Y929	L395-D908 HydrophobicContact CB-CB 4.2Å; L395-D908 PolarHBondContact N-OD2 3.46Å; R396-D908 HydrophobicContact CB-CB 4.28Å; R396-D908 HydrophobicContact CG-CB 4.06Å; R396-D908 PolarHBondContact N-OD2 3.44Å; R396-D908 PolarHBondContact NE-O 3.1Å; I904-D908 WeakPolarHBondContact O-CB 3.41Å; I904-D908 PolarHBondContact O-N 2.98Å; A905-D908 CarbonylContact O-C 3.4Å; A905-D908 WeakPolarHBondContact O-CA 3.49Å; A905-D908 WeakPolarHBondContact O-CB 3.46Å; A905-D908 PolarHBondContact O-N 3.4Å; D906-D908 VanDerWaalsContact C-N 3.34Å; D908-L910 VanDerWaalsContact C-N 3.35Å; D908-M911 WeakPolarHBondContact O-CB 3.28Å; D908-M911 PolarHBondContact O-N 3.29Å; D908-K921 VanDerWaalsContact CG-NZ 3.26Å; D908-K921 VanDerWaalsContact OD1-CD 3.29Å; D908-K921 WeakPolarHBondContact OD1-CD 3.15Å; D908-K921 WeakPolarHBondContact OD1-CE 3.33Å; D908-K921 IonicContact OD1-NZ 3.37Å; D908-K921 PolarHBondContact OD1-NZ 3.44Å; D908-K921 IonicContact OD2-NZ 2.88Å; D908-K921 PolarHBondContact OD2-NZ 3.28Å; D908-Y929 WeakPolarHBondContact OD1-CE2 3.45Å; D908-Y929 PolarHBondContact OD1-OH 3.48Å
909	E	92.4	Very high	90.8	Very high	97 Å²	97	39.1 Å²	39.1	45%	0.453	19%	0.193	S	C	.	.	H	α-helix	trans	-66.8	-34.8	174.5	-71.7	-167.6	176.5	0	0	112	H276 L395 A905 D906 M911 D912	H276-E909 IonicContact CE1-OE1 3.65Å; H276-E909 IonicContact NE2-OE1 2.81Å; L395-E909 HydrophobicContact CD1-CG 4.03Å; A905-E909 WeakPolarHBondContact O-CG 3.45Å; A905-E909 PolarHBondContact O-N 2.87Å; D906-E909 PolarHBondContact O-N 2.86Å; E909-M911 PolarHBondContact O-N 3.15Å; E909-D912 VanDerWaalsContact O-CB 3.32Å; E909-D912 WeakPolarHBondContact O-CB 3.24Å; E909-D912 PolarHBondContact O-N 3.39Å
910	L	93.9	Very high	90.8	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-35.1	173.7	-177.5	60.2	0	0	0	111.1	D906 F907 D908 D912 K913 Y916 Y957 E960 M961 V964	D906-L910 WeakPolarHBondContact O-CB 3.24Å; D906-L910 PolarHBondContact O-N 3.38Å; F907-L910 WeakPolarHBondContact O-CB 3.35Å; D908-L910 VanDerWaalsContact C-N 3.35Å; L910-D912 VanDerWaalsContact C-N 3.25Å; L910-D912 PolarHBondContact O-N 2.73Å; L910-K913 HydrophobicContact CD1-CD 3.8Å; L910-K913 VanDerWaalsContact CD1-CE 3.44Å; L910-K913 WeakPolarHBondContact O-CB 2.89Å; L910-K913 WeakPolarHBondContact O-CG 3.43Å; L910-K913 PolarHBondContact O-N 3.07Å; L910-Y916 HydrophobicContact CD1-CD2 4.28Å; L910-Y916 HydrophobicContact CD1-CE2 4.06Å; L910-Y916 HydrophobicContact CG-CD2 4.29Å; L910-Y916 HydrophobicContact CG-CE2 4.38Å; L910-Y916 WeakPolarHBondContact O-CD2 3.23Å; L910-Y957 HydrophobicContact CB-CE2 3.96Å; L910-Y957 HydrophobicContact CD2-CD2 3.7Å; L910-Y957 HydrophobicContact CD2-CE2 3.5Å; L910-Y957 HydrophobicContact CG-CD2 3.84Å; L910-Y957 HydrophobicContact CG-CE2 3.56Å; L910-E960 HydrophobicContact CD1-CB 4.27Å; L910-E960 WeakPolarHBondContact CD1-OE2 3.29Å; L910-E960 HydrophobicContact CD2-CB 4Å; L910-M961 HydrophobicContact CD2-CG 4.02Å; L910-V964 HydrophobicContact CD2-CG2 4.32Å
911	M	90.9	Very high	90.8	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.02	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.7	176.7	-57.8	-177.8	68.1	0	0	114.7	R396 D908 E909 K913 I919 K921 Y929 Y957	R396-M911 PolarHBondContact NH1-O 3.37Å; D908-M911 WeakPolarHBondContact O-CB 3.28Å; D908-M911 PolarHBondContact O-N 3.29Å; E909-M911 PolarHBondContact O-N 3.15Å; M911-K913 VanDerWaalsContact C-N 3.3Å; M911-I919 VanDerWaalsContact CE-C 3.41Å; M911-I919 HydrophobicContact CE-CB 3.85Å; M911-I919 HydrophobicContact CE-CG2 3.65Å; M911-I919 WeakPolarHBondContact CE-O 3.04Å; M911-K921 HydrophobicContact CE-CB 4.37Å; M911-K921 HydrophobicContact SD-CB 4.08Å; M911-Y929 PolarHBondContact SD-OH 2.99Å; M911-Y957 HydrophobicContact CG-CE2 3.62Å; M911-Y957 WeakPolarHBondContact CG-OH 2.87Å
912	D	88.4	Confident	90.6	Very high	99 Å²	99	39.3 Å²	39.3	53%	0.529	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.3	171.6	-81.1	-61.9	0	0	0	112.7	R396 E909 L910	R396-D912 IonicContact CZ-OD1 3.81Å; R396-D912 IonicContact CZ-OD2 4Å; R396-D912 IonicContact NE-OD2 2.63Å; R396-D912 IonicContact NH2-OD1 3.89Å; R396-D912 PolarHBondContact NH2-OD1 3.24Å; R396-D912 IonicContact NH2-OD2 2.58Å; R396-D912 PolarHBondContact NH2-OD2 3.05Å; E909-D912 VanDerWaalsContact O-CB 3.32Å; E909-D912 WeakPolarHBondContact O-CB 3.24Å; E909-D912 PolarHBondContact O-N 3.39Å; L910-D912 VanDerWaalsContact C-N 3.25Å; L910-D912 PolarHBondContact O-N 2.73Å
913	K	90.9	Very high	90.4	Very high	98 Å²	98	38.4 Å²	38.4	43%	0.426	19%	0.189	S	C	.	.	S	Bend	trans	-60.2	139.8	175.9	-64	-176.2	-174.3	173.8	0	110.7	L910 M911 C915 Y916 K917 E960	L910-K913 HydrophobicContact CD1-CD 3.8Å; L910-K913 VanDerWaalsContact CD1-CE 3.44Å; L910-K913 WeakPolarHBondContact O-CB 2.89Å; L910-K913 WeakPolarHBondContact O-CG 3.43Å; L910-K913 PolarHBondContact O-N 3.07Å; M911-K913 VanDerWaalsContact C-N 3.3Å; K913-C915 PolarHBondContact O-N 3.23Å; K913-C915 VanDerWaalsContact O-N 3.13Å; K913-Y916 HydrophobicContact CB-CD2 3.92Å; K913-Y916 HydrophobicContact CD-CD2 4.16Å; K913-Y916 HydrophobicContact CD-CE2 4.04Å; K913-Y916 PolarHBondContact O-N 3.1Å; K913-K917 PolarHBondContact O-N 2.88Å; K913-E960 IonicContact NZ-OE2 3.97Å; K913-E960 PolarHBondContact NZ-OE2 2.88Å
914	E	84.6	Confident	90.2	Very high	157 Å²	157	39 Å²	39	73%	0.734	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-60.1	-29.8	-174.5	-58.9	-145	121.2	0	0	114.3	Y916 K917	E914-Y916 VanDerWaalsContact C-N 3.3Å; E914-Y916 PolarHBondContact O-N 3.12Å; E914-K917 IonicContact OE1-NZ 3.84Å; E914-K917 PolarHBondContact OE1-NZ 2.81Å
915	C	86.9	Confident	89.8	Confident	66 Å²	66	40.4 Å²	40.4	45%	0.446	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-68.1	-26.5	175.8	47.6	0	0	0	0	113.3	K913 T953	K913-C915 PolarHBondContact O-N 3.23Å; K913-C915 VanDerWaalsContact O-N 3.13Å; C915-T953 VanDerWaalsContact O-CG2 3.32Å; C915-T953 WeakPolarHBondContact O-CG2 3.32Å
916	Y	90.4	Very high	89.4	Confident	6 Å²	6	41.1 Å²	41.1	2%	0.024	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-105.4	6.5	-174.1	-56.9	-43	0	0	0	114.2	L910 K913 E914 D918 I919 T953 D956 Y957 E960	L910-Y916 HydrophobicContact CD1-CD2 4.28Å; L910-Y916 HydrophobicContact CD1-CE2 4.06Å; L910-Y916 HydrophobicContact CG-CD2 4.29Å; L910-Y916 HydrophobicContact CG-CE2 4.38Å; L910-Y916 WeakPolarHBondContact O-CD2 3.23Å; K913-Y916 HydrophobicContact CB-CD2 3.92Å; K913-Y916 HydrophobicContact CD-CD2 4.16Å; K913-Y916 HydrophobicContact CD-CE2 4.04Å; K913-Y916 PolarHBondContact O-N 3.1Å; E914-Y916 VanDerWaalsContact C-N 3.3Å; E914-Y916 PolarHBondContact O-N 3.12Å; Y916-D918 PolarHBondContact O-N 3.46Å; Y916-I919 HydrophobicContact CD1-CD1 3.93Å; Y916-I919 HydrophobicContact CG-CD1 4.3Å; Y916-I919 WeakPolarHBondContact O-CB 3.13Å; Y916-I919 PolarHBondContact O-N 2.83Å; Y916-T953 HydrophobicContact CD1-CG2 3.78Å; Y916-T953 HydrophobicContact CE1-CG2 4.3Å; Y916-D956 HydrophobicContact CE1-CB 4Å; Y916-D956 WeakPolarHBondContact OH-CB 3.49Å; Y916-Y957 HydrophobicContact CD1-CD2 4.33Å; Y916-Y957 AromaticContact CD2-CD2 3.99Å; Y916-Y957 HydrophobicContact CD2-CD2 3.99Å; Y916-Y957 HydrophobicContact CE2-CD2 4.39Å; Y916-Y957 AromaticContact CG-CD2 3.99Å; Y916-Y957 HydrophobicContact CG-CD2 3.99Å; Y916-E960 PolarHBondContact OH-OE1 3.03Å
917	K	83.6	Confident	89.2	Confident	120 Å²	120	39.4 Å²	39.4	52%	0.522	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.9	179.7	-76	178.6	175.9	171.4	0	115.1	K913 E914	K913-K917 PolarHBondContact O-N 2.88Å; E914-K917 IonicContact OE1-NZ 3.84Å; E914-K917 PolarHBondContact OE1-NZ 2.81Å
918	D	84.9	Confident	89.1	Confident	45 Å²	45	39.4 Å²	39.4	24%	0.241	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.7	179.1	-63.7	-30.5	0	0	0	113.4	Y916 V933 K945	Y916-D918 PolarHBondContact O-N 3.46Å; D918-V933 HydrophobicContact CB-CG2 4.39Å; D918-K945 WeakPolarHBondContact OD2-CD 3.4Å; D918-K945 VanDerWaalsContact OD2-CE 3.22Å; D918-K945 WeakPolarHBondContact OD2-CE 3.36Å; D918-K945 IonicContact OD2-NZ 2.86Å; D918-K945 PolarHBondContact OD2-NZ 3.45Å
919	I	90.3	Very high	89.1	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.3	171.8	-56.6	-178.3	0	0	0	107.4	M911 Y916 A931 V933 T953 Y957	M911-I919 VanDerWaalsContact CE-C 3.41Å; M911-I919 HydrophobicContact CE-CB 3.85Å; M911-I919 HydrophobicContact CE-CG2 3.65Å; M911-I919 WeakPolarHBondContact CE-O 3.04Å; Y916-I919 HydrophobicContact CD1-CD1 3.93Å; Y916-I919 HydrophobicContact CG-CD1 4.3Å; Y916-I919 WeakPolarHBondContact O-CB 3.13Å; Y916-I919 PolarHBondContact O-N 2.83Å; I919-A931 HydrophobicContact CG2-CB 3.89Å; I919-V933 HydrophobicContact CG1-CB 4.43Å; I919-V933 HydrophobicContact CG1-CG2 4.42Å; I919-T953 HydrophobicContact CD1-CG2 4.09Å; I919-T953 HydrophobicContact CG1-CG2 4.06Å; I919-Y957 VanDerWaalsContact CD1-CB 3.41Å; I919-Y957 HydrophobicContact CD1-CD1 3.97Å; I919-Y957 HydrophobicContact CD1-CD2 3.88Å; I919-Y957 HydrophobicContact CD1-CG 3.48Å; I919-Y957 VanDerWaalsContact CD1-CG 3.48Å
920	E	89.9	Confident	89.2	Confident	33 Å²	33	35.2 Å²	35.2	15%	0.154	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.5	175.7	-170.1	80.9	-169.4	0	0	108.5	K397 I922 A931 A932	K397-E920 WeakPolarHBondContact CE-OE1 3.17Å; K397-E920 IonicContact NZ-OE1 3.76Å; K397-E920 PolarHBondContact NZ-OE1 2.74Å; E920-I922 PolarHBondContact O-N 3.1Å; E920-A931 WeakPolarHBondContact O-CA 3.43Å; E920-A932 PolarHBondContact N-O 2.79Å; E920-A932 PolarHBondContact O-N 2.94Å
921	K	91.9	Very high	89.2	Confident	6 Å²	6	34.9 Å²	34.9	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.1	167.9	179.9	-175.9	-172.1	175.1	0	108.1	R396 K397 D908 M911 Y929	R396-K921 HydrophobicContact CB-CD 4.24Å; R396-K921 WeakPolarHBondContact O-CE 3.28Å; R396-K921 PolarHBondContact O-NZ 3.29Å; K397-K921 HydrophobicContact CB-CD 4.03Å; K397-K921 HydrophobicContact CB-CG 4.33Å; K397-K921 HydrophobicContact CG-CB 4Å; K397-K921 HydrophobicContact CG-CD 4.17Å; K397-K921 HydrophobicContact CG-CG 4.2Å; K397-K921 WeakPolarHBondContact CG-O 3.39Å; D908-K921 VanDerWaalsContact CG-NZ 3.26Å; D908-K921 VanDerWaalsContact OD1-CD 3.29Å; D908-K921 WeakPolarHBondContact OD1-CD 3.15Å; D908-K921 WeakPolarHBondContact OD1-CE 3.33Å; D908-K921 IonicContact OD1-NZ 3.37Å; D908-K921 PolarHBondContact OD1-NZ 3.44Å; D908-K921 IonicContact OD2-NZ 2.88Å; D908-K921 PolarHBondContact OD2-NZ 3.28Å; M911-K921 HydrophobicContact CE-CB 4.37Å; M911-K921 HydrophobicContact SD-CB 4.08Å; K921-Y929 HydrophobicContact CD-CE2 3.96Å; K921-Y929 WeakPolarHBondContact CD-OH 3.05Å; K921-Y929 HydrophobicContact CG-CE1 4.33Å; K921-Y929 HydrophobicContact CG-CE2 4.29Å
922	I	89.4	Confident	89.3	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-56.2	178.2	-56.2	-57.4	0	0	0	109.6	Q399 E920 M930 A932 L935 Y999 I1001	Q399-I922 PolarHBondContact NE2-O 2.98Å; Q399-I922 VanDerWaalsContact NE2-O 3.1Å; E920-I922 PolarHBondContact O-N 3.1Å; I922-M930 HydrophobicContact CB-CE 4.22Å; I922-M930 HydrophobicContact CB-CG 4.04Å; I922-M930 HydrophobicContact CB-SD 3.97Å; I922-M930 HydrophobicContact CG1-CE 4.25Å; I922-M930 HydrophobicContact CG1-CG 4.4Å; I922-M930 HydrophobicContact CG2-CE 3.98Å; I922-M930 HydrophobicContact CG2-SD 3.86Å; I922-M930 PolarHBondContact N-O 2.92Å; I922-A932 HydrophobicContact CD1-CB 4.15Å; I922-A932 HydrophobicContact CG1-CB 4.1Å; I922-L935 HydrophobicContact CD1-CD1 3.69Å; I922-Y999 HydrophobicContact CD1-CE1 4.15Å; I922-I1001 HydrophobicContact CD1-CD1 4.24Å; I922-I1001 HydrophobicContact CD1-CG1 4.46Å; I922-I1001 HydrophobicContact CD1-CG2 4.35Å; I922-I1001 HydrophobicContact CG1-CD1 4.1Å; I922-I1001 HydrophobicContact CG1-CG1 4.37Å; I922-I1001 HydrophobicContact CG2-CG1 4.4Å
923	K	88	Confident	89.5	Confident	7 Å²	7	30 Å²	30	3%	0.03	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	165.1	-178.8	61.6	-174.9	78.4	171.1	0	110.5	L334 I925 M930 D1000	L334-K923 HydrophobicContact CD2-CD 4.43Å; K923-I925 HydrophobicContact CD-CD1 3.98Å; K923-I925 HydrophobicContact CD-CG1 3.98Å; K923-I925 HydrophobicContact CG-CD1 4.31Å; K923-I925 HydrophobicContact CG-CG1 4.09Å; K923-M930 HydrophobicContact CD-SD 4.21Å; K923-M930 HydrophobicContact CG-CB 4.19Å; K923-M930 HydrophobicContact CG-SD 3.9Å; K923-M930 WeakPolarHBondContact O-CB 3.25Å; K923-M930 PolarHBondContact O-N 2.74Å; K923-D1000 WeakPolarHBondContact CE-OD1 3.33Å; K923-D1000 IonicContact NZ-OD1 3.76Å; K923-D1000 PolarHBondContact NZ-OD1 3.29Å; K923-D1000 IonicContact NZ-OD2 2.72Å; K923-D1000 PolarHBondContact NZ-OD2 3.1Å
924	T	88.6	Confident	89.3	Confident	13 Å²	13	26 Å²	26	8%	0.08	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.7	161.7	51.7	0	0	0	0	108.5	K332 I904 T928 Y929	K332-T924 PolarHBondContact NZ-O 3.46Å; I904-T924 HydrophobicContact CD1-CG2 4.13Å; I904-T924 HydrophobicContact CG2-CG2 4.09Å; T924-T928 CarbonylContact C-O 3.52Å; T924-T928 WeakPolarHBondContact CA-O 3.4Å; T924-Y929 HydrophobicContact CG2-CD2 4.07Å
925	I	85.6	Confident	89.2	Confident	35 Å²	35	18.6 Å²	18.6	18%	0.179	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	104.1	176.7	-54.5	166.2	0	0	0	106.6	L334 K923 S927 T928 V1152	L334-I925 HydrophobicContact CD2-CD1 4.17Å; L334-I925 HydrophobicContact CD2-CG1 4.1Å; K923-I925 HydrophobicContact CD-CD1 3.98Å; K923-I925 HydrophobicContact CD-CG1 3.98Å; K923-I925 HydrophobicContact CG-CD1 4.31Å; K923-I925 HydrophobicContact CG-CG1 4.09Å; I925-S927 PolarHBondContact O-N 3.47Å; I925-T928 PolarHBondContact N-O 3.11Å; I925-T928 WeakPolarHBondContact O-CA 3.21Å; I925-T928 VanDerWaalsContact O-CB 3.28Å; I925-T928 WeakPolarHBondContact O-CB 3.49Å; I925-T928 PolarHBondContact O-N 3.22Å; I925-V1152 HydrophobicContact CG2-CG2 4.35Å
926	G	85.3	Confident	88.3	Confident	16 Å²	16	18.5 Å²	18.5	17%	0.165	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-122.9	-171.1	0	0	0	0	0	111.2
927	S	88.8	Confident	86.6	Confident	7 Å²	7	20.2 Å²	20.2	5%	0.049	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	7.2	174.6	64.6	0	0	0	0	114.2	I877 I925 Q1148	I877-S927 PolarHBondContact N-O 3.21Å; I877-S927 PolarHBondContact O-OG 2.82Å; I877-S927 VanDerWaalsContact O-OG 3.1Å; I925-S927 PolarHBondContact O-N 3.47Å; S927-Q1148 PolarHBondContact OG-OE1 3.27Å
928	T	91.8	Very high	85	Confident	4 Å²	4	18.6 Å²	18.6	3%	0.025	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.1	179.8	-53.3	0	0	0	0	111.8	F874 A875 S876 T924 I925	F874-T928 HydrophobicContact CD1-CG2 3.89Å; A875-T928 CarbonylContact O-C 3.58Å; A875-T928 WeakPolarHBondContact O-CA 3.37Å; S876-T928 WeakPolarHBondContact OG-CB 3.41Å; S876-T928 WeakPolarHBondContact OG-CG2 3.28Å; S876-T928 PolarHBondContact OG-OG1 2.91Å; T924-T928 CarbonylContact C-O 3.52Å; T924-T928 WeakPolarHBondContact CA-O 3.4Å; I925-T928 PolarHBondContact N-O 3.11Å; I925-T928 WeakPolarHBondContact O-CA 3.21Å; I925-T928 VanDerWaalsContact O-CB 3.28Å; I925-T928 WeakPolarHBondContact O-CB 3.49Å; I925-T928 PolarHBondContact O-N 3.22Å
929	Y	94.4	Very high	83	Confident	4 Å²	4	23.9 Å²	23.9	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.4	174.4	-164.6	-87.4	0	0	0	110.5	A875 I904 F907 D908 M911 K921 T924 A931 Y957 M961	A875-Y929 PolarHBondContact N-O 2.71Å; A875-Y929 PolarHBondContact O-N 2.84Å; I904-Y929 HydrophobicContact CG2-CD2 4.44Å; I904-Y929 HydrophobicContact CG2-CE2 4.27Å; F907-Y929 HydrophobicContact CB-CD2 4.41Å; F907-Y929 HydrophobicContact CB-CE2 4.07Å; F907-Y929 HydrophobicContact CD2-CD2 4.21Å; F907-Y929 HydrophobicContact CD2-CG 4.45Å; D908-Y929 WeakPolarHBondContact OD1-CE2 3.45Å; D908-Y929 PolarHBondContact OD1-OH 3.48Å; M911-Y929 PolarHBondContact SD-OH 2.99Å; K921-Y929 HydrophobicContact CD-CE2 3.96Å; K921-Y929 WeakPolarHBondContact CD-OH 3.05Å; K921-Y929 HydrophobicContact CG-CE1 4.33Å; K921-Y929 HydrophobicContact CG-CE2 4.29Å; T924-Y929 HydrophobicContact CG2-CD2 4.07Å; Y929-A931 HydrophobicContact CD1-CB 4.34Å; Y929-A931 HydrophobicContact CE1-CB 4.02Å; Y929-Y957 HydrophobicContact CE1-CE1 4.43Å; Y929-M961 HydrophobicContact CD1-CE 4.33Å; Y929-M961 HydrophobicContact CG-CE 4.47Å
930	M	93.8	Very high	80.9	Confident	5 Å²	5	26.1 Å²	26.1	3%	0.025	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.5	179.3	-176.1	-172.1	174.8	0	0	110.9	V872 L873 F874 I922 K923 I1001 V1006	V872-M930 HydrophobicContact CG1-CE 4.47Å; L873-M930 WeakPolarHBondContact O-CA 3.46Å; F874-M930 HydrophobicContact CD1-CG 4.48Å; F874-M930 HydrophobicContact CE1-CB 4.3Å; F874-M930 HydrophobicContact CE1-CG 4Å; F874-M930 HydrophobicContact CE1-SD 4.06Å; F874-M930 HydrophobicContact CE2-CE 4.32Å; F874-M930 HydrophobicContact CE2-CG 4.31Å; F874-M930 HydrophobicContact CZ-CE 3.93Å; F874-M930 HydrophobicContact CZ-CG 3.91Å; F874-M930 HydrophobicContact CZ-SD 3.78Å; I922-M930 HydrophobicContact CB-CE 4.22Å; I922-M930 HydrophobicContact CB-CG 4.04Å; I922-M930 HydrophobicContact CB-SD 3.97Å; I922-M930 HydrophobicContact CG1-CE 4.25Å; I922-M930 HydrophobicContact CG1-CG 4.4Å; I922-M930 HydrophobicContact CG2-CE 3.98Å; I922-M930 HydrophobicContact CG2-SD 3.86Å; I922-M930 PolarHBondContact N-O 2.92Å; K923-M930 HydrophobicContact CD-SD 4.21Å; K923-M930 HydrophobicContact CG-CB 4.19Å; K923-M930 HydrophobicContact CG-SD 3.9Å; K923-M930 WeakPolarHBondContact O-CB 3.25Å; K923-M930 PolarHBondContact O-N 2.74Å; M930-I1001 HydrophobicContact CE-CD1 3.81Å; M930-I1001 HydrophobicContact CE-CG1 3.66Å; M930-V1006 HydrophobicContact CE-CG1 3.69Å
931	A	94.5	Very high	78.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.7	178.5	0	0	0	0	0	111.8	L873 I919 E920 Y929	L873-A931 HydrophobicContact CD2-CB 4.33Å; L873-A931 PolarHBondContact N-O 3.36Å; L873-A931 PolarHBondContact O-N 3.33Å; I919-A931 HydrophobicContact CG2-CB 3.89Å; E920-A931 WeakPolarHBondContact O-CA 3.43Å; Y929-A931 HydrophobicContact CD1-CB 4.34Å; Y929-A931 HydrophobicContact CE1-CB 4.02Å
932	A	93.6	Very high	76.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.4	176.4	0	0	0	0	0	111.9	V870 G871 V872 E920 I922 L935 I1001	V870-A932 HydrophobicContact CG1-CB 4.01Å; G871-A932 CarbonylContact O-C 3.58Å; G871-A932 WeakPolarHBondContact O-CA 3.12Å; V872-A932 HydrophobicContact CG2-CB 4.48Å; E920-A932 PolarHBondContact N-O 2.79Å; E920-A932 PolarHBondContact O-N 2.94Å; I922-A932 HydrophobicContact CD1-CB 4.15Å; I922-A932 HydrophobicContact CG1-CB 4.1Å; A932-L935 HydrophobicContact CB-CD1 3.64Å; A932-L935 HydrophobicContact CB-CG 4.31Å; A932-I1001 HydrophobicContact CB-CD1 3.85Å
933	V	92.1	Very high	74.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.5	-179.2	63.7	0	0	0	0	110.4	V870 G871 D918 I919 H950 I954	V870-V933 WeakPolarHBondContact CA-O 3.46Å; V870-V933 WeakPolarHBondContact CG1-O 3.35Å; G871-V933 PolarHBondContact N-O 3.15Å; G871-V933 VanDerWaalsContact N-O 3.15Å; G871-V933 PolarHBondContact O-N 3.19Å; D918-V933 HydrophobicContact CB-CG2 4.39Å; I919-V933 HydrophobicContact CG1-CB 4.43Å; I919-V933 HydrophobicContact CG1-CG2 4.42Å; V933-H950 HydrophobicContact CG1-CB 3.94Å; V933-H950 WeakPolarHBondContact CG1-O 3.15Å; V933-H950 HydrophobicContact CG2-CB 3.89Å; V933-I954 HydrophobicContact CB-CB 4.5Å; V933-I954 HydrophobicContact CB-CD1 4.41Å; V933-I954 HydrophobicContact CG1-CB 3.87Å; V933-I954 HydrophobicContact CG1-CD1 3.93Å; V933-I954 HydrophobicContact CG1-CG1 4.47Å; V933-I954 HydrophobicContact CG1-CG2 4.09Å
934	G	87.4	Confident	73.3	Confident	15 Å²	15	53 Å²	53	16%	0.155	31%	0.31	C	S	.	.	S	Bend	trans	92.6	15	-177.8	0	0	0	0	0	114.9
935	L	82.1	Confident	72.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	33%	0.325	C	S	.	.			trans	-88.1	-12.2	175.3	-65.7	173.6	0	0	0	113.8	Y867 V870 I922 A932 P937 V987 I1001	Y867-L935 HydrophobicContact CD1-CD2 4.48Å; Y867-L935 HydrophobicContact CD2-CD2 3.72Å; Y867-L935 VanDerWaalsContact CE1-O 3.29Å; Y867-L935 WeakPolarHBondContact CE1-O 3.12Å; Y867-L935 HydrophobicContact CE2-CD2 3.85Å; Y867-L935 HydrophobicContact CG-CD2 4.06Å; Y867-L935 VanDerWaalsContact CZ-O 3.27Å; Y867-L935 PolarHBondContact OH-O 3.07Å; V870-L935 HydrophobicContact CG1-CD2 4.04Å; V870-L935 HydrophobicContact CG1-CG 4.13Å; V870-L935 HydrophobicContact CG2-CD2 3.86Å; V870-L935 HydrophobicContact CG2-CG 4.49Å; I922-L935 HydrophobicContact CD1-CD1 3.69Å; A932-L935 HydrophobicContact CB-CD1 3.64Å; A932-L935 HydrophobicContact CB-CG 4.31Å; L935-P937 WeakPolarHBondContact O-CD 3.09Å; L935-V987 HydrophobicContact CD2-CG2 4Å; L935-I1001 HydrophobicContact CD1-CD1 4.5Å; L935-I1001 HydrophobicContact CD1-CG2 3.91Å; L935-I1001 HydrophobicContact CD2-CG2 4.11Å
936	V	67.3	Low	72.1	Confident	64 Å²	64	57.6 Å²	57.6	39%	0.388	33%	0.334	S	S	.	.	S	Bend	trans	-90.8	115.6	-179.4	-176.3	0	0	0	0	109.5	T938	V936-T938 PolarHBondContact O-N 3Å; V936-T938 VanDerWaalsContact O-N 3.11Å
937	P	56.1	Low	71.9	Confident	43 Å²	43	59 Å²	59	28%	0.279	34%	0.34	S	S	.	.			trans	-65.1	116.1	167.3	25.9	-29.5	0	0	0	107.2	L935 I939	L935-P937 WeakPolarHBondContact O-CD 3.09Å; P937-I939 HydrophobicContact CB-CD1 4.39Å; P937-I939 HydrophobicContact CB-CG1 4.16Å; P937-I939 HydrophobicContact CG-CD1 4.18Å; P937-I939 HydrophobicContact CG-CG1 4.42Å; P937-I939 PolarHBondContact O-N 3.47Å
938	T	48.5	Very low	71.8	Confident	86 Å²	86	61.5 Å²	61.5	53%	0.528	35%	0.348	S	S	.	.			trans	-66.7	73.3	175.1	14.1	0	0	0	0	109.4	V936 G940	V936-T938 PolarHBondContact O-N 3Å; V936-T938 VanDerWaalsContact O-N 3.11Å; T938-G940 VanDerWaalsContact C-N 3.27Å; T938-G940 PolarHBondContact O-N 3.42Å
939	I	42.8	Very low	71.5	Confident	155 Å²	155	64.5 Å²	64.5	80%	0.795	36%	0.364	S	S	*	.			trans	-76.8	87.6	172.7	-60.5	168.5	0	0	0	106	P937	P937-I939 HydrophobicContact CB-CD1 4.39Å; P937-I939 HydrophobicContact CB-CG1 4.16Å; P937-I939 HydrophobicContact CG-CD1 4.18Å; P937-I939 HydrophobicContact CG-CG1 4.42Å; P937-I939 PolarHBondContact O-N 3.47Å
940	G	46.3	Very low	71.2	Confident	51 Å²	51	66.1 Å²	66.1	53%	0.526	37%	0.372	S	S	.	.	S	Bend	trans	108.8	111.6	169.5	0	0	0	0	0	114.8	T938	T938-G940 VanDerWaalsContact C-N 3.27Å; T938-G940 PolarHBondContact O-N 3.42Å
941	T	39.4	Very low	71	Confident	150 Å²	150	66 Å²	66	92%	0.92	37%	0.371	S	S	*	.	S	Bend	trans	86.2	10.1	147.5	64.9	0	0	0	0	122.6
942	K	48.9	Very low	70.9	Confident	177 Å²	177	66.9 Å²	66.9	77%	0.77	38%	0.378	S	S	*	.	S	Bend	trans	-130.9	143.3	160.1	-68.3	-172.7	-179.9	-179.7	0	111.1	K944	K942-K944 PolarHBondContact O-N 3.16Å
943	A	53.9	Low	70.8	Confident	93 Å²	93	67.7 Å²	67.7	77%	0.769	38%	0.383	S	S	*	.			trans	-47	138.2	175.3	0	0	0	0	0	109.6	K945	A943-K945 PolarHBondContact O-N 2.83Å
944	K	58.5	Low	70.9	Confident	195 Å²	195	67.7 Å²	67.7	85%	0.848	38%	0.383	S	S	*	.			trans	-52.5	111.9	176.6	-79.7	-178.2	175.7	-179.8	0	108.2	K942	K942-K944 PolarHBondContact O-N 3.16Å
945	K	68.9	Low	71.3	Confident	90 Å²	90	67 Å²	67	39%	0.391	38%	0.376	S	S	.	.			trans	-57	138.7	172.1	-77.2	-171.6	174.5	-172.9	0	108.7	D918 A943 D949	D918-K945 WeakPolarHBondContact OD2-CD 3.4Å; D918-K945 VanDerWaalsContact OD2-CE 3.22Å; D918-K945 WeakPolarHBondContact OD2-CE 3.36Å; D918-K945 IonicContact OD2-NZ 2.86Å; D918-K945 PolarHBondContact OD2-NZ 3.45Å; A943-K945 PolarHBondContact O-N 2.83Å; K945-D949 HydrophobicContact CB-CB 4.15Å
946	S	80.7	Confident	71.9	Confident	53 Å²	53	68.1 Å²	68.1	37%	0.371	38%	0.382	S	S	.	.			trans	-70.7	160.6	177.6	70.3	0	0	0	0	110.2	Y948 D949 H950	S946-Y948 PolarHBondContact O-N 3.12Å; S946-D949 WeakPolarHBondContact CB-OD2 3.28Å; S946-D949 PolarHBondContact N-OD2 2.82Å; S946-D949 WeakPolarHBondContact O-CB 3.4Å; S946-D949 PolarHBondContact O-N 3.27Å; S946-D949 PolarHBondContact OG-N 3.34Å; S946-D949 PolarHBondContact OG-OD2 2.94Å; S946-H950 PolarHBondContact O-N 3.38Å
947	V	81.1	Confident	73.3	Confident	45 Å²	45	65.1 Å²	65.1	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-56.9	-38.7	173.2	177.9	0	0	0	0	110.7	Q869 D949 H950 L951 V984 M1030	Q869-V947 HydrophobicContact CB-CG1 4.48Å; Q869-V947 HydrophobicContact CB-CG2 3.78Å; Q869-V947 HydrophobicContact CG-CG2 3.74Å; V947-D949 VanDerWaalsContact C-N 3.33Å; V947-D949 PolarHBondContact O-N 2.94Å; V947-H950 PolarHBondContact O-N 2.73Å; V947-L951 WeakPolarHBondContact O-CB 3.45Å; V947-L951 PolarHBondContact O-N 3.11Å; V947-V984 HydrophobicContact CG1-CG2 4.2Å; V947-M1030 HydrophobicContact CG1-SD 3.66Å
948	Y	86.4	Confident	75.2	Confident	60 Å²	60	63 Å²	63	24%	0.235	35%	0.35	C	S	.	.	H	α-helix	trans	-57.2	-45.4	174.3	175.8	-88.1	0	0	0	111.4	S946 H950 L951 S952 M1030 N1034	S946-Y948 PolarHBondContact O-N 3.12Å; Y948-H950 VanDerWaalsContact C-N 3.34Å; Y948-H950 PolarHBondContact O-N 2.86Å; Y948-L951 PolarHBondContact O-N 2.94Å; Y948-S952 WeakPolarHBondContact O-CB 3.3Å; Y948-S952 PolarHBondContact O-N 2.99Å; Y948-M1030 WeakPolarHBondContact CD2-O 3.33Å; Y948-M1030 WeakPolarHBondContact CE2-O 3.2Å; Y948-N1034 WeakPolarHBondContact OH-CB 3.38Å; Y948-N1034 PolarHBondContact OH-ND2 3.32Å
949	D	85.9	Confident	77.4	Confident	67 Å²	67	61 Å²	61	36%	0.358	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-41.8	179.7	-58.7	-43	0	0	0	111.6	K945 S946 V947 T953	K945-D949 HydrophobicContact CB-CB 4.15Å; S946-D949 WeakPolarHBondContact CB-OD2 3.28Å; S946-D949 PolarHBondContact N-OD2 2.82Å; S946-D949 WeakPolarHBondContact O-CB 3.4Å; S946-D949 PolarHBondContact O-N 3.27Å; S946-D949 PolarHBondContact OG-N 3.34Å; S946-D949 PolarHBondContact OG-OD2 2.94Å; V947-D949 VanDerWaalsContact C-N 3.33Å; V947-D949 PolarHBondContact O-N 2.94Å; D949-T953 WeakPolarHBondContact O-CB 3.47Å; D949-T953 PolarHBondContact O-N 2.88Å; D949-T953 PolarHBondContact O-OG1 2.92Å
950	H	86.6	Confident	80	Confident	38 Å²	38	56.1 Å²	56.1	18%	0.176	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-49.1	175.1	-67.7	167	0	0	0	111.2	V933 S946 V947 Y948 T953 I954	V933-H950 HydrophobicContact CG1-CB 3.94Å; V933-H950 WeakPolarHBondContact CG1-O 3.15Å; V933-H950 HydrophobicContact CG2-CB 3.89Å; S946-H950 PolarHBondContact O-N 3.38Å; V947-H950 PolarHBondContact O-N 2.73Å; Y948-H950 VanDerWaalsContact C-N 3.34Å; Y948-H950 PolarHBondContact O-N 2.86Å; H950-T953 WeakPolarHBondContact O-CB 3.16Å; H950-T953 PolarHBondContact O-N 3.38Å; H950-I954 PolarHBondContact O-N 2.79Å
951	L	90.4	Very high	82.4	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-36.5	-177.9	-168.3	62.5	0	0	0	112.5	V947 Y948 I954 A955 I982 V984 A1027 M1030 L1031	V947-L951 WeakPolarHBondContact O-CB 3.45Å; V947-L951 PolarHBondContact O-N 3.11Å; Y948-L951 PolarHBondContact O-N 2.94Å; L951-I954 HydrophobicContact CD1-CG2 4.06Å; L951-I954 WeakPolarHBondContact O-CG2 3.47Å; L951-A955 VanDerWaalsContact O-CB 3.27Å; L951-A955 WeakPolarHBondContact O-CB 3.39Å; L951-A955 PolarHBondContact O-N 2.9Å; L951-I982 HydrophobicContact CD1-CG2 4.04Å; L951-V984 HydrophobicContact CD1-CB 4.14Å; L951-V984 HydrophobicContact CD2-CG1 4.28Å; L951-A1027 HydrophobicContact CD2-CB 4.16Å; L951-M1030 HydrophobicContact CD2-CB 3.71Å; L951-M1030 HydrophobicContact CD2-CE 4.37Å; L951-M1030 HydrophobicContact CD2-SD 4.25Å; L951-L1031 HydrophobicContact CB-CD2 4.33Å; L951-L1031 HydrophobicContact CD2-CD1 4.11Å; L951-L1031 HydrophobicContact CD2-CD2 4.09Å; L951-L1031 HydrophobicContact CD2-CG 3.75Å; L951-L1031 HydrophobicContact CG-CD1 4.01Å; L951-L1031 HydrophobicContact CG-CD2 3.9Å; L951-L1031 HydrophobicContact CG-CG 3.95Å
952	S	91.8	Very high	85	Confident	20 Å²	20	47.7 Å²	47.7	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-42.9	171.8	177.8	0	0	0	0	111	Y948 I954 A955 D956 Y1035	Y948-S952 WeakPolarHBondContact O-CB 3.3Å; Y948-S952 PolarHBondContact O-N 2.99Å; S952-I954 PolarHBondContact O-N 2.97Å; S952-A955 PolarHBondContact O-N 3Å; S952-D956 WeakPolarHBondContact O-CB 3.25Å; S952-D956 PolarHBondContact O-N 3.28Å; S952-Y1035 WeakPolarHBondContact CA-OH 3.4Å; S952-Y1035 WeakPolarHBondContact CB-OH 3.49Å; S952-Y1035 PolarHBondContact O-OH 2.95Å; S952-Y1035 VanDerWaalsContact O-OH 3.08Å; S952-Y1035 PolarHBondContact OG-OH 2.79Å
953	T	92.6	Very high	87.2	Confident	17 Å²	17	44.1 Å²	44.1	10%	0.104	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-44.2	177.9	-56.6	0	0	0	0	111.9	C915 Y916 I919 D949 H950 Y957	C915-T953 VanDerWaalsContact O-CG2 3.32Å; C915-T953 WeakPolarHBondContact O-CG2 3.32Å; Y916-T953 HydrophobicContact CD1-CG2 3.78Å; Y916-T953 HydrophobicContact CE1-CG2 4.3Å; I919-T953 HydrophobicContact CD1-CG2 4.09Å; I919-T953 HydrophobicContact CG1-CG2 4.06Å; D949-T953 WeakPolarHBondContact O-CB 3.47Å; D949-T953 PolarHBondContact O-N 2.88Å; D949-T953 PolarHBondContact O-OG1 2.92Å; H950-T953 WeakPolarHBondContact O-CB 3.16Å; H950-T953 PolarHBondContact O-N 3.38Å; T953-Y957 WeakPolarHBondContact O-CB 3.35Å; T953-Y957 PolarHBondContact O-N 3.36Å
954	I	94	Very high	89.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-74.5	-30.3	179.6	-157.9	166.7	0	0	0	112.5	L873 V933 H950 L951 S952 A958 I982	L873-I954 HydrophobicContact CB-CD1 3.52Å; L873-I954 HydrophobicContact CB-CG1 3.82Å; L873-I954 HydrophobicContact CD1-CG1 4Å; V933-I954 HydrophobicContact CB-CB 4.5Å; V933-I954 HydrophobicContact CB-CD1 4.41Å; V933-I954 HydrophobicContact CG1-CB 3.87Å; V933-I954 HydrophobicContact CG1-CD1 3.93Å; V933-I954 HydrophobicContact CG1-CG1 4.47Å; V933-I954 HydrophobicContact CG1-CG2 4.09Å; H950-I954 PolarHBondContact O-N 2.79Å; L951-I954 HydrophobicContact CD1-CG2 4.06Å; L951-I954 WeakPolarHBondContact O-CG2 3.47Å; S952-I954 PolarHBondContact O-N 2.97Å; I954-A958 WeakPolarHBondContact O-CB 3.29Å; I954-A958 PolarHBondContact O-N 2.83Å; I954-I982 HydrophobicContact CG2-CG2 4.31Å
955	A	95	Very high	90.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-42.3	172	0	0	0	0	0	111.7	L951 S952 A958 I959 L1031 Y1035 L1056	L951-A955 VanDerWaalsContact O-CB 3.27Å; L951-A955 WeakPolarHBondContact O-CB 3.39Å; L951-A955 PolarHBondContact O-N 2.9Å; S952-A955 PolarHBondContact O-N 3Å; A955-A958 WeakPolarHBondContact O-CB 3.24Å; A955-A958 PolarHBondContact O-N 3.49Å; A955-I959 WeakPolarHBondContact O-CG1 3.24Å; A955-I959 PolarHBondContact O-N 3.32Å; A955-L1031 HydrophobicContact CB-CD1 4.21Å; A955-Y1035 HydrophobicContact CB-CE1 4.02Å; A955-L1056 HydrophobicContact CB-CD2 3.92Å
956	D	95.1	Very high	92	Very high	25 Å²	25	32 Å²	32	13%	0.134	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-45.1	175.4	-70.7	-5.6	0	0	0	111.7	Y916 S952 A958 I959 E960 Y1035 K1059	Y916-D956 HydrophobicContact CE1-CB 4Å; Y916-D956 WeakPolarHBondContact OH-CB 3.49Å; S952-D956 WeakPolarHBondContact O-CB 3.25Å; S952-D956 PolarHBondContact O-N 3.28Å; D956-A958 VanDerWaalsContact C-N 3.33Å; D956-A958 PolarHBondContact O-N 3.47Å; D956-I959 PolarHBondContact O-N 3.41Å; D956-E960 PolarHBondContact O-N 3.46Å; D956-Y1035 VanDerWaalsContact CG-OH 3.31Å; D956-Y1035 WeakPolarHBondContact OD1-CE1 3.06Å; D956-Y1035 PolarHBondContact OD1-OH 2.94Å; D956-K1059 VanDerWaalsContact CG-CE 3.44Å; D956-K1059 WeakPolarHBondContact OD1-CE 3.48Å; D956-K1059 IonicContact OD1-NZ 3.46Å; D956-K1059 PolarHBondContact OD1-NZ 2.82Å; D956-K1059 WeakPolarHBondContact OD2-CE 3.24Å; D956-K1059 IonicContact OD2-NZ 2.74Å; D956-K1059 PolarHBondContact OD2-NZ 2.79Å
957	Y	96.1	Very high	92.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.1	-46	174	-178	-103.9	0	0	0	111.2	F907 L910 M911 Y916 I919 Y929 T953 I959 E960 M961	F907-Y957 PolarHBondContact O-OH 2.77Å; L910-Y957 HydrophobicContact CB-CE2 3.96Å; L910-Y957 HydrophobicContact CD2-CD2 3.7Å; L910-Y957 HydrophobicContact CD2-CE2 3.5Å; L910-Y957 HydrophobicContact CG-CD2 3.84Å; L910-Y957 HydrophobicContact CG-CE2 3.56Å; M911-Y957 HydrophobicContact CG-CE2 3.62Å; M911-Y957 WeakPolarHBondContact CG-OH 2.87Å; Y916-Y957 HydrophobicContact CD1-CD2 4.33Å; Y916-Y957 AromaticContact CD2-CD2 3.99Å; Y916-Y957 HydrophobicContact CD2-CD2 3.99Å; Y916-Y957 HydrophobicContact CE2-CD2 4.39Å; Y916-Y957 AromaticContact CG-CD2 3.99Å; Y916-Y957 HydrophobicContact CG-CD2 3.99Å; I919-Y957 VanDerWaalsContact CD1-CB 3.41Å; I919-Y957 HydrophobicContact CD1-CD1 3.97Å; I919-Y957 HydrophobicContact CD1-CD2 3.88Å; I919-Y957 HydrophobicContact CD1-CG 3.48Å; I919-Y957 VanDerWaalsContact CD1-CG 3.48Å; Y929-Y957 HydrophobicContact CE1-CE1 4.43Å; T953-Y957 WeakPolarHBondContact O-CB 3.35Å; T953-Y957 PolarHBondContact O-N 3.36Å; Y957-I959 VanDerWaalsContact C-N 3.32Å; Y957-I959 PolarHBondContact O-N 3.22Å; Y957-E960 PolarHBondContact O-N 3.4Å; Y957-M961 HydrophobicContact CD1-CG 4.23Å; Y957-M961 HydrophobicContact CD1-SD 3.74Å; Y957-M961 HydrophobicContact CE1-CE 4.48Å; Y957-M961 HydrophobicContact CE1-CG 3.97Å; Y957-M961 HydrophobicContact CE1-SD 3.36Å; Y957-M961 WeakPolarHBondContact CE1-SD 3.39Å; Y957-M961 VanDerWaalsContact O-CG 3.28Å; Y957-M961 WeakPolarHBondContact O-CG 3.45Å; Y957-M961 PolarHBondContact O-N 3.02Å
958	A	96.4	Very high	93.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-41.1	176.8	0	0	0	0	0	112.9	L873 I954 A955 D956 M961 F962 V980 I982 I1021	L873-A958 HydrophobicContact CD1-CB 3.62Å; I954-A958 WeakPolarHBondContact O-CB 3.29Å; I954-A958 PolarHBondContact O-N 2.83Å; A955-A958 WeakPolarHBondContact O-CB 3.24Å; A955-A958 PolarHBondContact O-N 3.49Å; D956-A958 VanDerWaalsContact C-N 3.33Å; D956-A958 PolarHBondContact O-N 3.47Å; A958-M961 PolarHBondContact O-N 3.48Å; A958-F962 VanDerWaalsContact O-CD2 3.27Å; A958-F962 WeakPolarHBondContact O-CD2 3.49Å; A958-V980 HydrophobicContact CB-CG1 4.16Å; A958-I982 HydrophobicContact CB-CD1 3.92Å; A958-I1021 HydrophobicContact CB-CD1 3.97Å
959	I	95.5	Very high	93.4	Very high	43 Å²	43	31.5 Å²	31.5	22%	0.221	16%	0.163	C	C	.	.	H	α-helix	trans	-66.2	-48.1	177.1	-67	163.7	0	0	0	110.4	A955 D956 Y957 M961 F962 I1021 Y1035 L1056	A955-I959 WeakPolarHBondContact O-CG1 3.24Å; A955-I959 PolarHBondContact O-N 3.32Å; D956-I959 PolarHBondContact O-N 3.41Å; Y957-I959 VanDerWaalsContact C-N 3.32Å; Y957-I959 PolarHBondContact O-N 3.22Å; I959-M961 VanDerWaalsContact C-N 3.25Å; I959-M961 PolarHBondContact O-N 3.25Å; I959-F962 WeakPolarHBondContact O-CB 3.24Å; I959-F962 PolarHBondContact O-N 3.19Å; I959-F962 VanDerWaalsContact O-N 3.09Å; I959-I1021 HydrophobicContact CG1-CD1 3.83Å; I959-Y1035 HydrophobicContact CD1-CD1 4.39Å; I959-Y1035 HydrophobicContact CD1-CE1 4.22Å; I959-L1056 HydrophobicContact CD1-CD2 4.4Å
960	E	96.1	Very high	93.6	Very high	52 Å²	52	36.2 Å²	36.2	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-27	179.2	-74.4	-169.7	-142.9	0	0	112.9	L910 K913 Y916 D956 Y957 F962 D963 V964	L910-E960 HydrophobicContact CD1-CB 4.27Å; L910-E960 WeakPolarHBondContact CD1-OE2 3.29Å; L910-E960 HydrophobicContact CD2-CB 4Å; K913-E960 IonicContact NZ-OE2 3.97Å; K913-E960 PolarHBondContact NZ-OE2 2.88Å; Y916-E960 PolarHBondContact OH-OE1 3.03Å; D956-E960 PolarHBondContact O-N 3.46Å; Y957-E960 PolarHBondContact O-N 3.4Å; E960-F962 PolarHBondContact O-N 3.46Å; E960-D963 PolarHBondContact O-N 2.96Å; E960-V964 WeakPolarHBondContact O-CG2 3.41Å; E960-V964 PolarHBondContact O-N 3.29Å
961	M	96.1	Very high	93.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-31.4	172.7	-73.9	176.6	78.7	0	0	112.7	L873 A875 F907 L910 Y929 Y957 A958 I959 L965 L978	L873-M961 HydrophobicContact CD2-SD 4.35Å; A875-M961 HydrophobicContact CB-CE 3.66Å; A875-M961 HydrophobicContact CB-SD 4.28Å; F907-M961 HydrophobicContact CB-CE 4.46Å; F907-M961 HydrophobicContact CD1-CB 4.4Å; F907-M961 HydrophobicContact CD1-CE 4.04Å; F907-M961 HydrophobicContact CD1-CG 4.13Å; F907-M961 HydrophobicContact CD2-CE 3.47Å; F907-M961 VanDerWaalsContact CD2-CE 3.47Å; F907-M961 HydrophobicContact CE1-CB 4.03Å; F907-M961 HydrophobicContact CE1-CE 4.08Å; F907-M961 HydrophobicContact CE1-CG 4.24Å; F907-M961 HydrophobicContact CE2-CE 3.51Å; F907-M961 HydrophobicContact CG-CE 3.74Å; F907-M961 HydrophobicContact CZ-CB 4.48Å; F907-M961 HydrophobicContact CZ-CE 3.83Å; L910-M961 HydrophobicContact CD2-CG 4.02Å; Y929-M961 HydrophobicContact CD1-CE 4.33Å; Y929-M961 HydrophobicContact CG-CE 4.47Å; Y957-M961 HydrophobicContact CD1-CG 4.23Å; Y957-M961 HydrophobicContact CD1-SD 3.74Å; Y957-M961 HydrophobicContact CE1-CE 4.48Å; Y957-M961 HydrophobicContact CE1-CG 3.97Å; Y957-M961 HydrophobicContact CE1-SD 3.36Å; Y957-M961 WeakPolarHBondContact CE1-SD 3.39Å; Y957-M961 VanDerWaalsContact O-CG 3.28Å; Y957-M961 WeakPolarHBondContact O-CG 3.45Å; Y957-M961 PolarHBondContact O-N 3.02Å; A958-M961 PolarHBondContact O-N 3.48Å; I959-M961 VanDerWaalsContact C-N 3.25Å; I959-M961 PolarHBondContact O-N 3.25Å; M961-L965 WeakPolarHBondContact O-CB 3.42Å; M961-L965 PolarHBondContact O-N 3.48Å; M961-L978 HydrophobicContact CB-CD2 3.74Å; M961-L978 HydrophobicContact CE-CD2 4.48Å
962	F	95.3	Very high	93.4	Very high	24 Å²	24	41.7 Å²	41.7	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-45.2	173.1	-78.6	-97	0	0	0	111.1	A958 I959 E960 V964 L965 D966 L978 V980 I1021	A958-F962 VanDerWaalsContact O-CD2 3.27Å; A958-F962 WeakPolarHBondContact O-CD2 3.49Å; I959-F962 WeakPolarHBondContact O-CB 3.24Å; I959-F962 PolarHBondContact O-N 3.19Å; I959-F962 VanDerWaalsContact O-N 3.09Å; E960-F962 PolarHBondContact O-N 3.46Å; F962-V964 VanDerWaalsContact C-N 3.27Å; F962-V964 PolarHBondContact O-N 3.29Å; F962-L965 PolarHBondContact O-N 3.29Å; F962-L965 VanDerWaalsContact O-N 3.16Å; F962-D966 WeakPolarHBondContact O-CB 3.46Å; F962-D966 PolarHBondContact O-N 3.08Å; F962-L978 HydrophobicContact CD1-CB 4.03Å; F962-L978 HydrophobicContact CD2-CD2 3.89Å; F962-L978 HydrophobicContact CE1-CB 3.68Å; F962-L978 WeakPolarHBondContact CE1-O 3.35Å; F962-L978 HydrophobicContact CE2-CB 4.29Å; F962-L978 HydrophobicContact CE2-CD2 3.8Å; F962-L978 HydrophobicContact CE2-CG 4.33Å; F962-L978 HydrophobicContact CG-CB 4.48Å; F962-L978 HydrophobicContact CG-CD2 4.31Å; F962-L978 HydrophobicContact CZ-CB 3.82Å; F962-L978 HydrophobicContact CZ-CD2 4.19Å; F962-L978 HydrophobicContact CZ-CG 4.24Å; F962-L978 WeakPolarHBondContact CZ-O 3.43Å; F962-V980 HydrophobicContact CE2-CG2 3.74Å; F962-V980 HydrophobicContact CZ-CG2 4.15Å; F962-I1021 HydrophobicContact CD2-CD1 4.33Å; F962-I1021 HydrophobicContact CD2-CG1 4.39Å; F962-I1021 HydrophobicContact CE2-CD1 3.92Å; F962-I1021 HydrophobicContact CE2-CG1 3.51Å; F962-I1021 HydrophobicContact CZ-CG1 4.12Å
963	D	94.6	Very high	93.3	Very high	102 Å²	102	51 Å²	51	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-59.7	-40.8	178.4	-64.2	-31.4	0	0	0	111.2	E960 D966 E967	E960-D963 PolarHBondContact O-N 2.96Å; D963-D966 PolarHBondContact O-N 3.38Å; D963-E967 PolarHBondContact O-N 2.81Å; D963-E967 VanDerWaalsContact O-N 3.13Å
964	V	94.6	Very high	93.1	Very high	26 Å²	26	52.3 Å²	52.3	16%	0.158	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-45.9	175.2	171.1	0	0	0	0	111.2	D906 F907 L910 E960 F962 D966 E967 I968	D906-V964 HydrophobicContact CB-CG1 3.59Å; F907-V964 HydrophobicContact CD1-CB 4.42Å; F907-V964 HydrophobicContact CD1-CG1 3.94Å; F907-V964 HydrophobicContact CE1-CB 4.24Å; F907-V964 HydrophobicContact CE1-CG1 3.96Å; L910-V964 HydrophobicContact CD2-CG2 4.32Å; E960-V964 WeakPolarHBondContact O-CG2 3.41Å; E960-V964 PolarHBondContact O-N 3.29Å; F962-V964 VanDerWaalsContact C-N 3.27Å; F962-V964 PolarHBondContact O-N 3.29Å; V964-D966 VanDerWaalsContact C-N 3.33Å; V964-D966 PolarHBondContact O-N 3.1Å; V964-E967 PolarHBondContact O-N 3.07Å; V964-I968 HydrophobicContact CG1-CD1 4.27Å; V964-I968 WeakPolarHBondContact O-CG1 3.07Å; V964-I968 PolarHBondContact O-N 3.44Å; V964-I968 VanDerWaalsContact O-N 3.14Å
965	L	94.9	Very high	93	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-37.6	178.8	-172.5	64.8	0	0	0	112.1	I903 M961 F962 E967 I968 N969 F976 L978	I903-L965 HydrophobicContact CD1-CD1 4.15Å; I903-L965 HydrophobicContact CG1-CD1 4.28Å; I903-L965 HydrophobicContact CG2-CD1 3.99Å; M961-L965 WeakPolarHBondContact O-CB 3.42Å; M961-L965 PolarHBondContact O-N 3.48Å; F962-L965 PolarHBondContact O-N 3.29Å; F962-L965 VanDerWaalsContact O-N 3.16Å; L965-E967 VanDerWaalsContact C-N 3.31Å; L965-E967 PolarHBondContact O-N 2.62Å; L965-I968 PolarHBondContact O-N 3Å; L965-N969 WeakPolarHBondContact O-CB 3.3Å; L965-N969 VanDerWaalsContact O-CG 3.31Å; L965-N969 PolarHBondContact O-N 3.11Å; L965-N969 PolarHBondContact O-ND2 2.79Å; L965-F976 HydrophobicContact CD1-CB 3.95Å; L965-F976 HydrophobicContact CD2-CB 4.13Å; L965-F976 WeakPolarHBondContact CD2-O 3.4Å; L965-F976 HydrophobicContact CG-CB 4.28Å; L965-L978 HydrophobicContact CD2-CB 3.71Å; L965-L978 HydrophobicContact CD2-CD1 4.42Å
966	D	93.8	Very high	92.9	Very high	97 Å²	97	60.7 Å²	60.7	52%	0.519	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-38	176.3	-77.1	-13.6	0	0	0	111.7	F962 D963 V964 N969 Y970	F962-D966 WeakPolarHBondContact O-CB 3.46Å; F962-D966 PolarHBondContact O-N 3.08Å; D963-D966 PolarHBondContact O-N 3.38Å; V964-D966 VanDerWaalsContact C-N 3.33Å; V964-D966 PolarHBondContact O-N 3.1Å; D966-N969 PolarHBondContact O-N 2.89Å; D966-Y970 WeakPolarHBondContact O-CB 2.99Å; D966-Y970 PolarHBondContact O-N 3.19Å
967	E	92.6	Very high	92.9	Very high	119 Å²	119	62.1 Å²	62.1	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-63.9	-44.1	173.4	-175.6	168.2	-171.9	0	0	111.6	D963 V964 L965 Y970 Q971	D963-E967 PolarHBondContact O-N 2.81Å; D963-E967 VanDerWaalsContact O-N 3.13Å; V964-E967 PolarHBondContact O-N 3.07Å; L965-E967 VanDerWaalsContact C-N 3.31Å; L965-E967 PolarHBondContact O-N 2.62Å; E967-Y970 WeakPolarHBondContact O-CB 3.14Å; E967-Y970 PolarHBondContact O-N 3.38Å; E967-Q971 VanDerWaalsContact O-CG 3.31Å; E967-Q971 WeakPolarHBondContact O-CG 3.49Å; E967-Q971 PolarHBondContact O-N 2.8Å; E967-Q971 PolarHBondContact OE1-NE2 3.25Å
968	I	90.6	Very high	92.8	Very high	8 Å²	8	62.1 Å²	62.1	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-41.4	176.9	-62.9	170.7	0	0	0	111.3	L899 I903 D906 V964 L965 Y970 Q971 S972	L899-I968 HydrophobicContact CD1-CG2 4.43Å; I903-I968 HydrophobicContact CB-CD1 4.07Å; I903-I968 HydrophobicContact CG1-CD1 3.7Å; I903-I968 HydrophobicContact CG1-CG2 3.92Å; I903-I968 HydrophobicContact CG2-CD1 4.32Å; D906-I968 HydrophobicContact CB-CD1 4.14Å; D906-I968 WeakPolarHBondContact OD2-CD1 3.27Å; D906-I968 WeakPolarHBondContact OD2-CG1 3.49Å; V964-I968 HydrophobicContact CG1-CD1 4.27Å; V964-I968 WeakPolarHBondContact O-CG1 3.07Å; V964-I968 PolarHBondContact O-N 3.44Å; V964-I968 VanDerWaalsContact O-N 3.14Å; L965-I968 PolarHBondContact O-N 3Å; I968-Y970 VanDerWaalsContact C-N 3.3Å; I968-Y970 PolarHBondContact O-N 3.41Å; I968-Q971 PolarHBondContact O-N 3.37Å; I968-S972 VanDerWaalsContact O-CB 3.25Å; I968-S972 WeakPolarHBondContact O-CB 3.31Å; I968-S972 PolarHBondContact O-N 2.9Å; I968-S972 PolarHBondContact O-OG 3.44Å
969	N	93.1	Very high	92.7	Very high	19 Å²	19	62.6 Å²	62.6	10%	0.102	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-46.1	174.9	-81	-22.5	0	0	0	111	L965 D966 Q971 S972 Y973 N974 F976	L965-N969 WeakPolarHBondContact O-CB 3.3Å; L965-N969 VanDerWaalsContact O-CG 3.31Å; L965-N969 PolarHBondContact O-N 3.11Å; L965-N969 PolarHBondContact O-ND2 2.79Å; D966-N969 PolarHBondContact O-N 2.89Å; N969-Q971 PolarHBondContact O-N 3Å; N969-S972 PolarHBondContact O-N 3.28Å; N969-Y973 WeakPolarHBondContact O-CA 3.38Å; N969-Y973 PolarHBondContact O-N 3.1Å; N969-N974 CarbonylContact C-O 3.56Å; N969-N974 WeakPolarHBondContact CA-O 3.2Å; N969-N974 WeakPolarHBondContact CB-O 3.12Å; N969-N974 PolarHBondContact O-N 2.98Å; N969-N974 PolarHBondContact OD1-O 3.4Å; N969-F976 PolarHBondContact ND2-N 2.86Å; N969-F976 PolarHBondContact ND2-O 3.13Å; N969-F976 WeakPolarHBondContact OD1-CB 3.23Å; N969-F976 WeakPolarHBondContact OD1-CD2 3.3Å; N969-F976 PolarHBondContact OD1-N 2.85Å
970	Y	91.1	Very high	92.8	Very high	167 Å²	167	60.6 Å²	60.6	66%	0.655	29%	0.286	S	S	*	.	H	α-helix	trans	-61.6	-42.3	176.1	-179.2	-97.6	0	0	0	112.6	D966 E967 I968	D966-Y970 WeakPolarHBondContact O-CB 2.99Å; D966-Y970 PolarHBondContact O-N 3.19Å; E967-Y970 WeakPolarHBondContact O-CB 3.14Å; E967-Y970 PolarHBondContact O-N 3.38Å; I968-Y970 VanDerWaalsContact C-N 3.3Å; I968-Y970 PolarHBondContact O-N 3.41Å
971	Q	87.3	Confident	92.8	Very high	122 Å²	122	58.1 Å²	58.1	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-74.8	-31.8	-178.9	-69	178.5	10.8	0	0	113.5	E967 I968 N969	E967-Q971 VanDerWaalsContact O-CG 3.31Å; E967-Q971 WeakPolarHBondContact O-CG 3.49Å; E967-Q971 PolarHBondContact O-N 2.8Å; E967-Q971 PolarHBondContact OE1-NE2 3.25Å; I968-Q971 PolarHBondContact O-N 3.37Å; N969-Q971 PolarHBondContact O-N 3Å
972	S	85.4	Confident	92.9	Very high	33 Å²	33	58.1 Å²	58.1	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-98.4	-4.9	-174.6	68.6	0	0	0	0	114.2	I968 N969 N974	I968-S972 VanDerWaalsContact O-CB 3.25Å; I968-S972 WeakPolarHBondContact O-CB 3.31Å; I968-S972 PolarHBondContact O-N 2.9Å; I968-S972 PolarHBondContact O-OG 3.44Å; N969-S972 PolarHBondContact O-N 3.28Å; S972-N974 WeakPolarHBondContact CB-ND2 3.24Å; S972-N974 PolarHBondContact O-N 3.38Å; S972-N974 PolarHBondContact O-ND2 3.47Å; S972-N974 VanDerWaalsContact O-ND2 3.08Å; S972-N974 PolarHBondContact OG-ND2 3.03Å; S972-N974 VanDerWaalsContact OG-ND2 3.1Å
973	Y	88.6	Confident	92.8	Very high	216 Å²	216	57.4 Å²	57.4	85%	0.847	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	35.5	-173.2	-55.3	-83.7	0	0	0	113.2	N969	N969-Y973 WeakPolarHBondContact O-CA 3.38Å; N969-Y973 PolarHBondContact O-N 3.1Å
974	N	89.3	Confident	92.7	Very high	44 Å²	44	52.7 Å²	52.7	24%	0.235	25%	0.247	C	C	.	.			trans	-115.4	168.3	174.1	-66.3	-69.8	0	0	0	110.5	N969 S972 F976	N969-N974 CarbonylContact C-O 3.56Å; N969-N974 WeakPolarHBondContact CA-O 3.2Å; N969-N974 WeakPolarHBondContact CB-O 3.12Å; N969-N974 PolarHBondContact O-N 2.98Å; N969-N974 PolarHBondContact OD1-O 3.4Å; S972-N974 WeakPolarHBondContact CB-ND2 3.24Å; S972-N974 PolarHBondContact O-N 3.38Å; S972-N974 PolarHBondContact O-ND2 3.47Å; S972-N974 VanDerWaalsContact O-ND2 3.08Å; S972-N974 PolarHBondContact OG-ND2 3.03Å; S972-N974 VanDerWaalsContact OG-ND2 3.1Å; N974-F976 HydrophobicContact CB-CD2 3.86Å; N974-F976 HydrophobicContact CB-CE2 3.52Å; N974-F976 HydrophobicContact CB-CZ 4.04Å
975	E	91.6	Very high	92.5	Very high	169 Å²	169	51.6 Å²	51.6	79%	0.79	24%	0.241	S	C	*	.			trans	-126.6	56.9	178.8	-63.7	-174.1	155.6	0	0	110.3	N879	N879-E975 PolarHBondContact ND2-O 2.78Å
976	F	94	Very high	92.1	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.031	27%	0.266	C	S	.	.			trans	-65.4	136.7	173.8	-63.9	-61.9	0	0	0	110.7	I877 F880 F883 L899 I903 L965 N969 N974	I877-F976 HydrophobicContact CG2-CB 3.89Å; I877-F976 HydrophobicContact CG2-CD1 3.9Å; I877-F976 HydrophobicContact CG2-CG 4.2Å; F880-F976 AromaticContact CD2-CE1 3.99Å; F880-F976 HydrophobicContact CD2-CE1 3.99Å; F880-F976 HydrophobicContact CD2-CZ 4.46Å; F883-F976 HydrophobicContact CB-CE1 3.94Å; F883-F976 HydrophobicContact CB-CZ 4.48Å; F883-F976 AromaticContact CD1-CE1 3.97Å; F883-F976 HydrophobicContact CD1-CE1 3.97Å; F883-F976 AromaticContact CD1-CZ 3.82Å; F883-F976 HydrophobicContact CD1-CZ 3.82Å; F883-F976 HydrophobicContact CD2-CE1 4.3Å; F883-F976 HydrophobicContact CD2-CZ 4.07Å; F883-F976 AromaticContact CE1-CZ 3.98Å; F883-F976 HydrophobicContact CE1-CZ 3.98Å; F883-F976 HydrophobicContact CE2-CZ 4.23Å; F883-F976 AromaticContact CG-CE1 3.81Å; F883-F976 HydrophobicContact CG-CE1 3.81Å; F883-F976 AromaticContact CG-CZ 3.86Å; F883-F976 HydrophobicContact CG-CZ 3.86Å; F883-F976 HydrophobicContact CZ-CZ 4.2Å; L899-F976 HydrophobicContact CD2-CE2 3.6Å; L899-F976 HydrophobicContact CD2-CZ 3.8Å; L899-F976 HydrophobicContact CG-CE2 4.19Å; I903-F976 HydrophobicContact CD1-CD2 4.02Å; I903-F976 HydrophobicContact CD1-CE2 4.24Å; L965-F976 HydrophobicContact CD1-CB 3.95Å; L965-F976 HydrophobicContact CD2-CB 4.13Å; L965-F976 WeakPolarHBondContact CD2-O 3.4Å; L965-F976 HydrophobicContact CG-CB 4.28Å; N969-F976 PolarHBondContact ND2-N 2.86Å; N969-F976 PolarHBondContact ND2-O 3.13Å; N969-F976 WeakPolarHBondContact OD1-CB 3.23Å; N969-F976 WeakPolarHBondContact OD1-CD2 3.3Å; N969-F976 PolarHBondContact OD1-N 2.85Å; N974-F976 HydrophobicContact CB-CD2 3.86Å; N974-F976 HydrophobicContact CB-CE2 3.52Å; N974-F976 HydrophobicContact CB-CZ 4.04Å
977	V	93.4	Very high	91.8	Very high	54 Å²	54	51 Å²	51	33%	0.327	24%	0.242	S	C	.	.			trans	-114.5	126.2	-179.5	-178	0	0	0	0	109.3	P878 N879 P1018	P878-V977 WeakPolarHBondContact CD-O 3.48Å; N879-V977 PolarHBondContact OD1-N 3.04Å; N879-V977 VanDerWaalsContact OD1-N 3.07Å; V977-P1018 HydrophobicContact CB-CB 4.42Å; V977-P1018 HydrophobicContact CG1-CB 3.64Å
978	L	94.4	Very high	91.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.222	C	C	.	.			trans	-83.5	141.3	174.9	-161.1	67.8	0	0	0	110.7	A875 I877 F907 M961 F962 L965 V980 G1019	A875-L978 HydrophobicContact CB-CD1 4.17Å; I877-L978 HydrophobicContact CG1-CD1 4.11Å; F907-L978 HydrophobicContact CE2-CD1 4.48Å; F907-L978 HydrophobicContact CZ-CD1 4.29Å; M961-L978 HydrophobicContact CB-CD2 3.74Å; M961-L978 HydrophobicContact CE-CD2 4.48Å; F962-L978 HydrophobicContact CD1-CB 4.03Å; F962-L978 HydrophobicContact CD2-CD2 3.89Å; F962-L978 HydrophobicContact CE1-CB 3.68Å; F962-L978 WeakPolarHBondContact CE1-O 3.35Å; F962-L978 HydrophobicContact CE2-CB 4.29Å; F962-L978 HydrophobicContact CE2-CD2 3.8Å; F962-L978 HydrophobicContact CE2-CG 4.33Å; F962-L978 HydrophobicContact CG-CB 4.48Å; F962-L978 HydrophobicContact CG-CD2 4.31Å; F962-L978 HydrophobicContact CZ-CB 3.82Å; F962-L978 HydrophobicContact CZ-CD2 4.19Å; F962-L978 HydrophobicContact CZ-CG 4.24Å; F962-L978 WeakPolarHBondContact CZ-O 3.43Å; L965-L978 HydrophobicContact CD2-CB 3.71Å; L965-L978 HydrophobicContact CD2-CD1 4.42Å; L978-V980 HydrophobicContact CD2-CG2 3.7Å; L978-V980 HydrophobicContact CG-CG2 3.81Å; L978-G1019 VanDerWaalsContact O-CA 3.3Å; L978-G1019 WeakPolarHBondContact O-CA 3.42Å; L978-G1019 PolarHBondContact O-N 3.13Å
979	R	95.3	Very high	91.2	Very high	10 Å²	10	46 Å²	46	4%	0.038	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.7	169.6	-177.1	175.9	67.7	174.1	13.1	108.7	A875 S876 P878 D1013 S1014 G1016 I1149	A875-R979 CarbonylContact C-O 3.49Å; A875-R979 WeakPolarHBondContact CA-O 3.41Å; S876-R979 PolarHBondContact N-O 2.92Å; S876-R979 PolarHBondContact O-N 2.93Å; P878-R979 HydrophobicContact CG-CB 3.97Å; R979-D1013 VanDerWaalsContact CD-O 3.24Å; R979-D1013 WeakPolarHBondContact CD-O 3.21Å; R979-D1013 WeakPolarHBondContact CG-OD1 3.47Å; R979-D1013 IonicContact CZ-OD1 3.82Å; R979-D1013 PolarHBondContact NE-O 3.31Å; R979-D1013 IonicContact NE-OD1 3.56Å; R979-D1013 PolarHBondContact NE-OD1 2.99Å; R979-D1013 PolarHBondContact NH2-O 2.63Å; R979-D1013 IonicContact NH2-OD1 3Å; R979-S1014 PolarHBondContact NH1-O 3.23Å; R979-G1016 VanDerWaalsContact CD-C 3.42Å; R979-G1016 WeakPolarHBondContact CD-O 3.14Å; R979-G1016 PolarHBondContact NH1-O 3.22Å; R979-I1149 VanDerWaalsContact NH2-CB 3.29Å; R979-I1149 VanDerWaalsContact NH2-CG2 3.33Å
980	V	97.3	Very high	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.7	-173.5	-173.3	0	0	0	0	111.5	L873 F874 A875 A958 F962 L978 I982 K1020 I1021 Q1022	L873-V980 HydrophobicContact CD1-CG1 3.74Å; L873-V980 HydrophobicContact CG-CG1 3.87Å; F874-V980 CarbonylContact O-C 3.57Å; F874-V980 VanDerWaalsContact O-CA 3.29Å; F874-V980 WeakPolarHBondContact O-CA 3.23Å; A875-V980 HydrophobicContact CB-CG1 4.42Å; A875-V980 HydrophobicContact CB-CG2 3.9Å; A958-V980 HydrophobicContact CB-CG1 4.16Å; F962-V980 HydrophobicContact CE2-CG2 3.74Å; F962-V980 HydrophobicContact CZ-CG2 4.15Å; L978-V980 HydrophobicContact CD2-CG2 3.7Å; L978-V980 HydrophobicContact CG-CG2 3.81Å; V980-I982 HydrophobicContact CG1-CD1 4.4Å; V980-I982 HydrophobicContact CG1-CG1 4.02Å; V980-K1020 PolarHBondContact N-O 3.27Å; V980-I1021 HydrophobicContact CB-CB 4.36Å; V980-I1021 HydrophobicContact CB-CG1 4.05Å; V980-I1021 HydrophobicContact CB-CG2 4.16Å; V980-I1021 HydrophobicContact CG1-CG2 4.18Å; V980-I1021 HydrophobicContact CG2-CG1 4.35Å; V980-I1021 CarbonylContact O-C 3.58Å; V980-I1021 WeakPolarHBondContact O-CA 2.93Å; V980-Q1022 PolarHBondContact O-N 3.3Å
981	G	96.6	Very high	90.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.8	170.7	0	0	0	0	0	111.7	L873 F874 Q1022	L873-G981 WeakPolarHBondContact CA-O 3.43Å; F874-G981 PolarHBondContact N-O 3.36Å; F874-G981 PolarHBondContact O-N 2.92Å; G981-Q1022 WeakPolarHBondContact CA-O 3.34Å
982	I	96.5	Very high	89.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.6	178.9	-54.1	176.9	0	0	0	110.4	V872 L873 L951 I954 A958 V980 I1021 Q1022 V1023	V872-I982 WeakPolarHBondContact O-CA 3.48Å; L873-I982 HydrophobicContact CD1-CD1 4.25Å; L873-I982 HydrophobicContact CD1-CG1 4.24Å; L951-I982 HydrophobicContact CD1-CG2 4.04Å; I954-I982 HydrophobicContact CG2-CG2 4.31Å; A958-I982 HydrophobicContact CB-CD1 3.92Å; V980-I982 HydrophobicContact CG1-CD1 4.4Å; V980-I982 HydrophobicContact CG1-CG1 4.02Å; I982-I1021 HydrophobicContact CD1-CG2 3.73Å; I982-I1021 HydrophobicContact CG1-CG2 4.18Å; I982-Q1022 PolarHBondContact N-O 3.05Å; I982-V1023 HydrophobicContact CB-CG1 4.09Å
983	N	94.5	Very high	88.9	Confident	9 Å²	9	29.9 Å²	29.9	5%	0.048	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	163.1	168.5	-173.2	43.4	0	0	0	111	V872 T1005 V1008 A1009 T1024	V872-N983 PolarHBondContact N-O 3.16Å; V872-N983 PolarHBondContact O-N 2.75Å; V872-N983 VanDerWaalsContact O-N 3.09Å; N983-T1005 WeakPolarHBondContact ND2-CA 3.48Å; N983-T1005 PolarHBondContact ND2-O 3.16Å; N983-V1008 HydrophobicContact CB-CG1 4.25Å; N983-A1009 HydrophobicContact CB-CB 3.8Å; N983-T1024 HydrophobicContact CB-CG2 4Å; N983-T1024 WeakPolarHBondContact OD1-CB 3.49Å; N983-T1024 WeakPolarHBondContact OD1-CG2 3.4Å; N983-T1024 PolarHBondContact OD1-OG1 3.48Å
984	V	92.8	Very high	87.5	Confident	3 Å²	3	20 Å²	20	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.2	-178.6	57.9	0	0	0	0	110.2	V870 V947 L951 T1005 E1026 A1027 M1030	V870-V984 WeakPolarHBondContact O-CA 3.39Å; V947-V984 HydrophobicContact CG1-CG2 4.2Å; L951-V984 HydrophobicContact CD1-CB 4.14Å; L951-V984 HydrophobicContact CD2-CG1 4.28Å; V984-T1005 VanDerWaalsContact C-CG2 3.5Å; V984-E1026 HydrophobicContact CG1-CG 4.2Å; V984-A1027 HydrophobicContact CG1-CB 4.23Å; V984-M1030 HydrophobicContact CB-CE 4.31Å; V984-M1030 HydrophobicContact CG1-CE 3.26Å; V984-M1030 HydrophobicContact CG2-CE 4.12Å
985	G	89.8	Confident	86	Confident	3 Å²	3	22.6 Å²	22.6	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.3	-169.3	-179.3	0	0	0	0	0	113.5	A868 V870 T1005	A868-G985 CarbonylContact O-C 3.58Å; V870-G985 PolarHBondContact N-O 2.93Å; V870-G985 PolarHBondContact O-N 2.84Å; V870-G985 VanDerWaalsContact O-N 3.1Å; G985-T1005 WeakPolarHBondContact CA-OG1 3.4Å; G985-T1005 VanDerWaalsContact N-CG2 3.34Å
986	P	87.1	Confident	84.9	Confident	83 Å²	83	17.3 Å²	17.3	54%	0.539	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	144.2	-178.9	29.6	-34.6	0	0	0	112.2	Y867 A868 T1005	Y867-P986 CarbonylContact O-C 3.59Å; Y867-P986 VanDerWaalsContact O-CA 3.25Å; Y867-P986 WeakPolarHBondContact O-CA 3.25Å; A868-P986 VanDerWaalsContact O-CA 3.27Å; A868-P986 WeakPolarHBondContact O-CA 3.3Å; P986-T1005 WeakPolarHBondContact O-CB 3.35Å; P986-T1005 PolarHBondContact O-OG1 3.47Å
987	V	86.7	Confident	83.9	Confident	3 Å²	3	17.2 Å²	17.2	2%	0.018	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.1	175.3	-59.1	0	0	0	0	111.1	Y867 V870 V872 L935 W1002 T1005 V1006	Y867-V987 HydrophobicContact CD2-CG2 4.37Å; Y867-V987 PolarHBondContact N-O 3.38Å; Y867-V987 PolarHBondContact O-N 3.05Å; Y867-V987 VanDerWaalsContact O-O 3.1Å; V870-V987 HydrophobicContact CB-CG1 4.29Å; V870-V987 HydrophobicContact CB-CG2 3.64Å; V870-V987 HydrophobicContact CG1-CG2 3.93Å; V870-V987 HydrophobicContact CG2-CG2 3.44Å; V870-V987 VanDerWaalsContact CG2-CG2 3.44Å; V872-V987 HydrophobicContact CG2-CG1 4.33Å; L935-V987 HydrophobicContact CD2-CG2 4Å; V987-W1002 WeakPolarHBondContact CA-O 3.45Å; V987-T1005 HydrophobicContact CG1-CG2 4.23Å; V987-V1006 HydrophobicContact CG1-CG2 3.97Å
988	V	84.5	Confident	83.1	Confident	22 Å²	22	15.7 Å²	15.7	13%	0.133	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.5	171.6	176.9	0	0	0	0	107.9	A305 V309 I1001 W1002	A305-V988 HydrophobicContact CB-CB 4.23Å; A305-V988 HydrophobicContact CB-CG1 3.55Å; A305-V988 HydrophobicContact CB-CG2 3.62Å; V309-V988 HydrophobicContact CG2-CG1 4.17Å; V988-I1001 CarbonylContact O-C 3.56Å; V988-I1001 VanDerWaalsContact O-CA 3.31Å; V988-I1001 WeakPolarHBondContact O-CA 3.45Å; V988-W1002 PolarHBondContact N-O 2.99Å; V988-W1002 PolarHBondContact O-N 3.29Å
989	A	85.7	Confident	82.7	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	151.4	169.3	0	0	0	0	0	110.5	Y864 Q865 Y867 Y999 D1000 I1001	Y864-A989 CarbonylContact C-O 3.59Å; Y864-A989 WeakPolarHBondContact CA-O 3.35Å; Q865-A989 PolarHBondContact N-O 3.46Å; Q865-A989 PolarHBondContact O-N 2.96Å; Y867-A989 HydrophobicContact CD2-CB 4.17Å; Y867-A989 HydrophobicContact CE2-CB 3.62Å; A989-Y999 HydrophobicContact CB-CE2 3.9Å; A989-D1000 WeakPolarHBondContact CA-O 3.37Å; A989-I1001 HydrophobicContact CB-CG2 3.83Å
990	G	83.3	Confident	82.2	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	170.9	178.9	0	0	0	0	0	112.5	Y863 D1000	Y863-G990 VanDerWaalsContact O-CA 3.27Å; Y863-G990 WeakPolarHBondContact O-CA 3.49Å; G990-D1000 PolarHBondContact N-O 2.82Å; G990-D1000 VanDerWaalsContact N-O 3.1Å; G990-D1000 PolarHBondContact O-N 2.86Å; G990-D1000 VanDerWaalsContact O-N 3.11Å
991	V	81.7	Confident	81.7	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.006	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.8	175.2	175.2	0	0	0	0	108.8	N313 P507 F508 V833 F837 Y863 P997 Q998 Y999	N313-V991 PolarHBondContact ND2-O 3.01Å; P507-V991 HydrophobicContact CB-CG1 4.32Å; F508-V991 HydrophobicContact CE2-CG1 4.13Å; V833-V991 HydrophobicContact CG1-CG2 3.44Å; V833-V991 VanDerWaalsContact CG1-CG2 3.44Å; F837-V991 HydrophobicContact CE2-CB 4.21Å; F837-V991 HydrophobicContact CE2-CG1 4.22Å; F837-V991 HydrophobicContact CE2-CG2 3.92Å; F837-V991 HydrophobicContact CZ-CB 4.16Å; F837-V991 HydrophobicContact CZ-CG1 4.16Å; F837-V991 HydrophobicContact CZ-CG2 4.35Å; Y863-V991 HydrophobicContact CD1-CG2 3.82Å; Y863-V991 HydrophobicContact CG-CG2 4.34Å; Y863-V991 PolarHBondContact O-N 3.17Å; V991-P997 HydrophobicContact CG1-CB 3.47Å; V991-P997 VanDerWaalsContact CG1-CB 3.47Å; V991-Q998 WeakPolarHBondContact CA-O 3.42Å; V991-Y999 HydrophobicContact CG2-CD2 4.24Å
992	I	76.9	Confident	81	Confident	3 Å²	3	17.2 Å²	17.2	2%	0.015	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.2	-177.4	-65.1	-176.1	0	0	0	110.8	L312 N313 F316 I333 P997 Q998 W1002	L312-I992 HydrophobicContact CB-CD1 3.83Å; L312-I992 HydrophobicContact CD1-CD1 3.56Å; L312-I992 HydrophobicContact CG-CD1 4.3Å; N313-I992 VanDerWaalsContact OD1-CA 3.29Å; N313-I992 WeakPolarHBondContact OD1-CA 3.48Å; F316-I992 HydrophobicContact CB-CG2 4.3Å; F316-I992 HydrophobicContact CD2-CG2 3.74Å; I333-I992 HydrophobicContact CD1-CG2 3.79Å; I992-P997 CarbonylContact O-C 3.58Å; I992-P997 VanDerWaalsContact O-CA 3.23Å; I992-P997 WeakPolarHBondContact O-CA 3.41Å; I992-Q998 PolarHBondContact N-O 3.33Å; I992-Q998 PolarHBondContact O-N 2.99Å; I992-W1002 HydrophobicContact CB-CH2 4.48Å; I992-W1002 HydrophobicContact CD1-CH2 3.22Å; I992-W1002 HydrophobicContact CD1-CZ2 3.06Å; I992-W1002 HydrophobicContact CD1-CZ3 4.08Å; I992-W1002 HydrophobicContact CG1-CH2 3.53Å; I992-W1002 HydrophobicContact CG1-CZ2 3.87Å; I992-W1002 HydrophobicContact CG1-CZ3 4.37Å
993	G	67	Low	80.2	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.			trans	106.4	124.5	170.2	0	0	0	0	0	112.5	N313 P507 P997	N313-G993 PolarHBondContact OD1-N 3.24Å; P507-G993 WeakPolarHBondContact CB-O 3.13Å; P507-G993 WeakPolarHBondContact CG-O 3.49Å; G993-P997 VanDerWaalsContact O-CA 3.29Å; G993-P997 WeakPolarHBondContact O-CA 3.33Å; G993-P997 WeakPolarHBondContact O-CB 3.24Å
994	A	59.2	Low	79.5	Confident	9 Å²	9	22.2 Å²	22.2	7%	0.074	12%	0.118	C	C	.	.	S	Bend	trans	-72.1	-49.2	-175	0	0	0	0	0	112.5	E505 F508	E505-A994 HydrophobicContact CB-CB 3.85Å; E505-A994 WeakPolarHBondContact O-CB 3.36Å; F508-A994 PolarHBondContact N-O 3.37Å
995	R	57.8	Low	79.3	Confident	97 Å²	97	22.3 Å²	22.3	37%	0.366	12%	0.119	S	C	.	.	S	Bend	trans	-91	-34.1	-173.1	-67	-178.4	177	176.1	4.9	112.5	T324 E505	T324-R995 PolarHBondContact OG1-NH1 3.35Å; E505-R995 IonicContact OE2-NE 2.97Å; E505-R995 IonicContact OE2-NH2 3.54Å
996	R	68.6	Low	79.2	Confident	59 Å²	59	22.8 Å²	22.8	22%	0.223	12%	0.121	C	C	.	.	S	Bend	trans	-130.9	90.1	172.2	-65.9	-150.3	-164.8	104.6	40.2	109.1	S253 R329 R330	S253-R996 WeakPolarHBondContact O-CD 3.44Å; S253-R996 WeakPolarHBondContact O-CG 3.39Å; R329-R996 VanDerWaalsContact CD-NH2 3.29Å; R329-R996 VanDerWaalsContact NH2-CZ 3.27Å; R330-R996 VanDerWaalsContact CZ-O 3.32Å; R330-R996 PolarHBondContact NH1-O 2.94Å; R330-R996 VanDerWaalsContact NH2-CB 3.26Å; R330-R996 PolarHBondContact NH2-O 2.86Å; R330-R996 PolarHBondContact O-NH1 3.14Å
997	P	72.6	Confident	79.1	Confident	5 Å²	5	20.7 Å²	20.7	3%	0.032	11%	0.105	C	C	.	.			trans	-73.1	137.8	178.2	18.3	-25.8	0	0	0	112	L254 P507 F508 V991 I992 G993	L254-P997 HydrophobicContact CD2-CG 4.39Å; L254-P997 WeakPolarHBondContact CD2-O 3.26Å; P507-P997 HydrophobicContact CB-CB 4.16Å; F508-P997 HydrophobicContact CD1-CB 4.45Å; F508-P997 HydrophobicContact CD1-CG 3.33Å; F508-P997 HydrophobicContact CD2-CB 4.28Å; F508-P997 HydrophobicContact CD2-CG 3.93Å; F508-P997 HydrophobicContact CE1-CB 3.87Å; F508-P997 HydrophobicContact CE1-CG 2.84Å; F508-P997 HydrophobicContact CE2-CB 3.6Å; F508-P997 HydrophobicContact CE2-CG 3.48Å; F508-P997 VanDerWaalsContact CE2-CG 3.48Å; F508-P997 HydrophobicContact CG-CG 3.91Å; F508-P997 HydrophobicContact CZ-CB 3.43Å; F508-P997 VanDerWaalsContact CZ-CB 3.43Å; F508-P997 HydrophobicContact CZ-CG 2.95Å; V991-P997 HydrophobicContact CG1-CB 3.47Å; V991-P997 VanDerWaalsContact CG1-CB 3.47Å; I992-P997 CarbonylContact O-C 3.58Å; I992-P997 VanDerWaalsContact O-CA 3.23Å; I992-P997 WeakPolarHBondContact O-CA 3.41Å; G993-P997 VanDerWaalsContact O-CA 3.29Å; G993-P997 WeakPolarHBondContact O-CA 3.33Å; G993-P997 WeakPolarHBondContact O-CB 3.24Å
998	Q	77.5	Confident	79.1	Confident	21 Å²	21	21 Å²	21	10%	0.098	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.7	177.4	-173.2	171.4	0.3	0	0	108.5	V991 I992	V991-Q998 WeakPolarHBondContact CA-O 3.42Å; I992-Q998 PolarHBondContact N-O 3.33Å; I992-Q998 PolarHBondContact O-N 2.99Å
999	Y	84.6	Confident	79.4	Confident	15 Å²	15	19.9 Å²	19.9	6%	0.059	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.6	169.1	174.1	-96.4	0	0	0	109.1	P830 V833 Y863 I922 A989 V991	P830-Y999 HydrophobicContact CG-CD1 3.54Å; P830-Y999 HydrophobicContact CG-CD2 4.05Å; P830-Y999 HydrophobicContact CG-CE1 3.66Å; P830-Y999 HydrophobicContact CG-CE2 4.15Å; P830-Y999 HydrophobicContact CG-CG 3.73Å; V833-Y999 HydrophobicContact CG2-CD2 3.74Å; V833-Y999 HydrophobicContact CG2-CE2 3.86Å; Y863-Y999 HydrophobicContact CE1-CD2 4.4Å; Y863-Y999 HydrophobicContact CE1-CE2 4.06Å; I922-Y999 HydrophobicContact CD1-CE1 4.15Å; A989-Y999 HydrophobicContact CB-CE2 3.9Å; V991-Y999 HydrophobicContact CG2-CD2 4.24Å
1000	D	85.8	Confident	79.5	Confident	5 Å²	5	20 Å²	20	3%	0.027	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	169.8	-179.3	-165.6	20	0	0	0	111.5	K923 A989 G990 W1002	K923-D1000 WeakPolarHBondContact CE-OD1 3.33Å; K923-D1000 IonicContact NZ-OD1 3.76Å; K923-D1000 PolarHBondContact NZ-OD1 3.29Å; K923-D1000 IonicContact NZ-OD2 2.72Å; K923-D1000 PolarHBondContact NZ-OD2 3.1Å; A989-D1000 WeakPolarHBondContact CA-O 3.37Å; G990-D1000 PolarHBondContact N-O 2.82Å; G990-D1000 VanDerWaalsContact N-O 3.1Å; G990-D1000 PolarHBondContact O-N 2.86Å; G990-D1000 VanDerWaalsContact O-N 3.11Å; D1000-W1002 HydrophobicContact CB-CH2 3.58Å; D1000-W1002 HydrophobicContact CB-CZ2 3.47Å; D1000-W1002 VanDerWaalsContact CB-CZ2 3.47Å; D1000-W1002 HydrophobicContact CB-CZ3 4.4Å; D1000-W1002 VanDerWaalsContact O-CZ3 3.3Å; D1000-W1002 WeakPolarHBondContact O-CZ3 3.35Å
1001	I	86.4	Confident	79.7	Confident	4 Å²	4	20.7 Å²	20.7	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.1	178.7	62.4	171.8	0	0	0	111.5	V872 I922 M930 A932 L935 V988 A989 V1006	V872-I1001 HydrophobicContact CG2-CD1 4.24Å; I922-I1001 HydrophobicContact CD1-CD1 4.24Å; I922-I1001 HydrophobicContact CD1-CG1 4.46Å; I922-I1001 HydrophobicContact CD1-CG2 4.35Å; I922-I1001 HydrophobicContact CG1-CD1 4.1Å; I922-I1001 HydrophobicContact CG1-CG1 4.37Å; I922-I1001 HydrophobicContact CG2-CG1 4.4Å; M930-I1001 HydrophobicContact CE-CD1 3.81Å; M930-I1001 HydrophobicContact CE-CG1 3.66Å; A932-I1001 HydrophobicContact CB-CD1 3.85Å; L935-I1001 HydrophobicContact CD1-CD1 4.5Å; L935-I1001 HydrophobicContact CD1-CG2 3.91Å; L935-I1001 HydrophobicContact CD2-CG2 4.11Å; V988-I1001 CarbonylContact O-C 3.56Å; V988-I1001 VanDerWaalsContact O-CA 3.31Å; V988-I1001 WeakPolarHBondContact O-CA 3.45Å; A989-I1001 HydrophobicContact CB-CG2 3.83Å; I1001-V1006 HydrophobicContact CD1-CG2 3.95Å; I1001-V1006 HydrophobicContact CG1-CG2 3.97Å
1002	W	83.2	Confident	80.3	Confident	19 Å²	19	20.6 Å²	20.6	7%	0.072	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.9	179	-57.7	-87.4	0	0	0	111.5	V987 V988 I992 D1000	V987-W1002 WeakPolarHBondContact CA-O 3.45Å; V988-W1002 PolarHBondContact N-O 2.99Å; V988-W1002 PolarHBondContact O-N 3.29Å; I992-W1002 HydrophobicContact CB-CH2 4.48Å; I992-W1002 HydrophobicContact CD1-CH2 3.22Å; I992-W1002 HydrophobicContact CD1-CZ2 3.06Å; I992-W1002 HydrophobicContact CD1-CZ3 4.08Å; I992-W1002 HydrophobicContact CG1-CH2 3.53Å; I992-W1002 HydrophobicContact CG1-CZ2 3.87Å; I992-W1002 HydrophobicContact CG1-CZ3 4.37Å; D1000-W1002 HydrophobicContact CB-CH2 3.58Å; D1000-W1002 HydrophobicContact CB-CZ2 3.47Å; D1000-W1002 VanDerWaalsContact CB-CZ2 3.47Å; D1000-W1002 HydrophobicContact CB-CZ3 4.4Å; D1000-W1002 VanDerWaalsContact O-CZ3 3.3Å; D1000-W1002 WeakPolarHBondContact O-CZ3 3.35Å
1003	G	78.4	Confident	81	Confident	28 Å²	28	20.5 Å²	20.5	29%	0.289	10%	0.103	S	C	.	.	S	Bend	trans	147.7	165	170.4	0	0	0	0	0	112.4	T1005 V1006 N1007	G1003-T1005 PolarHBondContact O-N 2.94Å; G1003-T1005 VanDerWaalsContact O-N 3.11Å; G1003-V1006 PolarHBondContact O-N 3.49Å; G1003-N1007 PolarHBondContact O-N 3.32Å
1004	N	80.9	Confident	81.9	Confident	87 Å²	87	20.9 Å²	20.9	47%	0.465	11%	0.106	S	C	.	.	H	α-helix	trans	-54.1	-33.3	177.4	179.7	74.5	0	0	0	112.4	V1006 N1007 V1008 K1048	N1004-V1006 VanDerWaalsContact C-N 3.34Å; N1004-V1006 PolarHBondContact O-N 2.94Å; N1004-N1007 PolarHBondContact O-N 3.13Å; N1004-V1008 VanDerWaalsContact O-CG2 3.31Å; N1004-V1008 WeakPolarHBondContact O-CG2 3.44Å; N1004-V1008 PolarHBondContact O-N 3.38Å; N1004-K1048 PolarHBondContact ND2-NZ 2.9Å; N1004-K1048 WeakPolarHBondContact OD1-CE 3.44Å; N1004-K1048 PolarHBondContact OD1-NZ 2.83Å
1005	T	88.4	Confident	83.4	Confident	4 Å²	4	22 Å²	22	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-58.9	-43.8	177.3	-52.4	0	0	0	0	112.5	V872 N983 V984 G985 P986 V987 G1003 A1009	V872-T1005 HydrophobicContact CG2-CG2 4.11Å; N983-T1005 WeakPolarHBondContact ND2-CA 3.48Å; N983-T1005 PolarHBondContact ND2-O 3.16Å; V984-T1005 VanDerWaalsContact C-CG2 3.5Å; G985-T1005 WeakPolarHBondContact CA-OG1 3.4Å; G985-T1005 VanDerWaalsContact N-CG2 3.34Å; P986-T1005 WeakPolarHBondContact O-CB 3.35Å; P986-T1005 PolarHBondContact O-OG1 3.47Å; V987-T1005 HydrophobicContact CG1-CG2 4.23Å; G1003-T1005 PolarHBondContact O-N 2.94Å; G1003-T1005 VanDerWaalsContact O-N 3.11Å; T1005-A1009 WeakPolarHBondContact O-CB 3.2Å; T1005-A1009 PolarHBondContact O-N 2.88Å
1006	V	87.5	Confident	84.9	Confident	13 Å²	13	17.7 Å²	17.7	8%	0.079	10%	0.098	C	C	.	.	H	α-helix	trans	-66.6	-45.5	179.6	-179.2	0	0	0	0	110	V872 F874 M930 V987 I1001 G1003 N1004 V1008 A1009 S1010	V872-V1006 HydrophobicContact CG2-CG2 4.28Å; F874-V1006 HydrophobicContact CE2-CG1 4Å; F874-V1006 HydrophobicContact CZ-CG1 3.94Å; M930-V1006 HydrophobicContact CE-CG1 3.69Å; V987-V1006 HydrophobicContact CG1-CG2 3.97Å; I1001-V1006 HydrophobicContact CD1-CG2 3.95Å; I1001-V1006 HydrophobicContact CG1-CG2 3.97Å; G1003-V1006 PolarHBondContact O-N 3.49Å; N1004-V1006 VanDerWaalsContact C-N 3.34Å; N1004-V1006 PolarHBondContact O-N 2.94Å; V1006-V1008 PolarHBondContact O-N 3.23Å; V1006-A1009 PolarHBondContact O-N 2.88Å; V1006-S1010 PolarHBondContact O-N 3.42Å
1007	N	83.6	Confident	86	Confident	39 Å²	39	17.8 Å²	17.8	21%	0.209	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-46.1	179	-66	7.5	0	0	0	111.1	G1003 N1004 A1009 S1010 R1011 A1156	G1003-N1007 PolarHBondContact O-N 3.32Å; N1004-N1007 PolarHBondContact O-N 3.13Å; N1007-A1009 PolarHBondContact O-N 3.3Å; N1007-S1010 PolarHBondContact O-N 2.97Å; N1007-R1011 WeakPolarHBondContact O-CG 3.41Å; N1007-R1011 PolarHBondContact O-N 3.32Å; N1007-R1011 VanDerWaalsContact O-N 3.08Å; N1007-A1156 HydrophobicContact CB-CB 3.93Å
1008	V	87.6	Confident	87	Confident	9 Å²	9	21 Å²	21	6%	0.055	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-40.1	177.7	173.9	0	0	0	0	111.3	N983 N1004 V1006 S1010 R1011 M1012 T1024 M1051	N983-V1008 HydrophobicContact CB-CG1 4.25Å; N1004-V1008 VanDerWaalsContact O-CG2 3.31Å; N1004-V1008 WeakPolarHBondContact O-CG2 3.44Å; N1004-V1008 PolarHBondContact O-N 3.38Å; V1006-V1008 PolarHBondContact O-N 3.23Å; V1008-S1010 PolarHBondContact O-N 3.16Å; V1008-R1011 WeakPolarHBondContact O-CB 3.28Å; V1008-R1011 PolarHBondContact O-N 3.46Å; V1008-R1011 VanDerWaalsContact O-N 3.15Å; V1008-M1012 WeakPolarHBondContact O-CG 3.5Å; V1008-M1012 PolarHBondContact O-N 3.32Å; V1008-T1024 HydrophobicContact CG1-CG2 3.58Å; V1008-M1051 HydrophobicContact CG1-CE 4.45Å; V1008-M1051 HydrophobicContact CG1-SD 4.27Å
1009	A	91.6	Very high	87.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-45.6	175.3	0	0	0	0	0	111.8	V872 F874 N983 T1005 V1006 N1007 R1011 M1012 D1013	V872-A1009 HydrophobicContact CB-CB 3.97Å; V872-A1009 HydrophobicContact CG1-CB 3.83Å; F874-A1009 HydrophobicContact CD2-CB 3.77Å; F874-A1009 HydrophobicContact CE2-CB 4.02Å; N983-A1009 HydrophobicContact CB-CB 3.8Å; T1005-A1009 WeakPolarHBondContact O-CB 3.2Å; T1005-A1009 PolarHBondContact O-N 2.88Å; V1006-A1009 PolarHBondContact O-N 2.88Å; N1007-A1009 PolarHBondContact O-N 3.3Å; A1009-R1011 VanDerWaalsContact C-N 3.26Å; A1009-R1011 PolarHBondContact O-N 3.08Å; A1009-M1012 WeakPolarHBondContact O-CB 3.44Å; A1009-M1012 PolarHBondContact O-N 2.77Å; A1009-M1012 VanDerWaalsContact O-N 3.12Å; A1009-D1013 PolarHBondContact O-N 3.28Å
1010	S	87.9	Confident	88.2	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-37.1	175	167.2	0	0	0	0	112.2	V1006 N1007 V1008 D1013 S1014 V1152	V1006-S1010 PolarHBondContact O-N 3.42Å; N1007-S1010 PolarHBondContact O-N 2.97Å; V1008-S1010 PolarHBondContact O-N 3.16Å; S1010-D1013 PolarHBondContact O-N 3.06Å; S1010-S1014 PolarHBondContact O-N 3.36Å; S1010-V1152 VanDerWaalsContact OG-CG1 3.23Å; S1010-V1152 WeakPolarHBondContact OG-CG1 3.46Å; S1010-V1152 PolarHBondContact OG-O 3.38Å
1011	R	86.5	Confident	88.8	Confident	13 Å²	13	23.3 Å²	23.3	5%	0.049	14%	0.141	C	C	.	.	H	α-helix	trans	-68.9	-35.3	174.9	-62.7	-66.1	174.2	-164	-19.6	114	N1007 V1008 A1009 D1013 S1014 T1015 V1045 A1153 A1156 D1157	N1007-R1011 WeakPolarHBondContact O-CG 3.41Å; N1007-R1011 PolarHBondContact O-N 3.32Å; N1007-R1011 VanDerWaalsContact O-N 3.08Å; V1008-R1011 WeakPolarHBondContact O-CB 3.28Å; V1008-R1011 PolarHBondContact O-N 3.46Å; V1008-R1011 VanDerWaalsContact O-N 3.15Å; A1009-R1011 VanDerWaalsContact C-N 3.26Å; A1009-R1011 PolarHBondContact O-N 3.08Å; R1011-D1013 PolarHBondContact O-N 2.95Å; R1011-S1014 WeakPolarHBondContact CA-OG 3.38Å; R1011-S1014 PolarHBondContact O-N 3.01Å; R1011-S1014 PolarHBondContact O-OG 3.26Å; R1011-T1015 WeakPolarHBondContact O-CB 3.33Å; R1011-T1015 PolarHBondContact O-N 3.31Å; R1011-T1015 PolarHBondContact O-OG1 3.43Å; R1011-V1045 HydrophobicContact CB-CG1 3.9Å; R1011-V1045 HydrophobicContact CG-CG1 3.81Å; R1011-A1153 VanDerWaalsContact NH1-CA 3.33Å; R1011-A1153 PolarHBondContact NH1-O 3.17Å; R1011-A1153 VanDerWaalsContact NH1-O 3.13Å; R1011-A1153 PolarHBondContact NH2-O 3.43Å; R1011-A1156 PolarHBondContact NH2-O 3.09Å; R1011-D1157 IonicContact CZ-OD1 3.97Å; R1011-D1157 IonicContact CZ-OD2 2.7Å; R1011-D1157 IonicContact NE-OD1 3.8Å; R1011-D1157 IonicContact NH1-OD1 2.87Å; R1011-D1157 PolarHBondContact NH1-OD1 2.96Å; R1011-D1157 IonicContact NH1-OD2 3.65Å; R1011-D1157 PolarHBondContact NH1-OD2 2.62Å; R1011-D1157 VanDerWaalsContact NH2-CA 3.26Å; R1011-D1157 VanDerWaalsContact NH2-N 3.11Å; R1011-D1157 IonicContact NH2-OD1 3.45Å; R1011-D1157 PolarHBondContact NH2-OD1 3.39Å; R1011-D1157 IonicContact NH2-OD2 2.81Å; R1011-D1157 PolarHBondContact NH2-OD2 3.46Å
1012	M	93.6	Very high	89.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-32.1	175.8	-65.1	-56.4	91.2	0	0	110.8	V1008 A1009 G1016 Q1022 T1024 V1045 M1051 T1053	V1008-M1012 WeakPolarHBondContact O-CG 3.5Å; V1008-M1012 PolarHBondContact O-N 3.32Å; A1009-M1012 WeakPolarHBondContact O-CB 3.44Å; A1009-M1012 PolarHBondContact O-N 2.77Å; A1009-M1012 VanDerWaalsContact O-N 3.12Å; M1012-G1016 WeakPolarHBondContact O-CA 3.1Å; M1012-G1016 PolarHBondContact O-N 3.35Å; M1012-Q1022 HydrophobicContact CB-CB 4.43Å; M1012-Q1022 HydrophobicContact CB-CG 4.17Å; M1012-Q1022 HydrophobicContact SD-CG 3.94Å; M1012-Q1022 PolarHBondContact SD-NE2 3.44Å; M1012-T1024 HydrophobicContact CG-CG2 3.79Å; M1012-T1024 HydrophobicContact SD-CG2 3.85Å; M1012-V1045 HydrophobicContact CE-CG2 3.76Å; M1012-M1051 HydrophobicContact CE-SD 4.4Å; M1012-T1053 HydrophobicContact CE-CG2 4.02Å; M1012-T1053 HydrophobicContact SD-CG2 3.66Å
1013	D	93	Very high	89.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73.7	-52.4	168.9	172.9	32	0	0	0	110.9	F874 S876 R979 A1009 S1010 R1011 T1015 G1016	F874-D1013 HydrophobicContact CB-CB 3.77Å; S876-D1013 WeakPolarHBondContact CB-OD2 3.3Å; S876-D1013 PolarHBondContact OG-OD2 3.23Å; R979-D1013 VanDerWaalsContact CD-O 3.24Å; R979-D1013 WeakPolarHBondContact CD-O 3.21Å; R979-D1013 WeakPolarHBondContact CG-OD1 3.47Å; R979-D1013 IonicContact CZ-OD1 3.82Å; R979-D1013 PolarHBondContact NE-O 3.31Å; R979-D1013 IonicContact NE-OD1 3.56Å; R979-D1013 PolarHBondContact NE-OD1 2.99Å; R979-D1013 PolarHBondContact NH2-O 2.63Å; R979-D1013 IonicContact NH2-OD1 3Å; A1009-D1013 PolarHBondContact O-N 3.28Å; S1010-D1013 PolarHBondContact O-N 3.06Å; R1011-D1013 PolarHBondContact O-N 2.95Å; D1013-T1015 VanDerWaalsContact C-N 3.31Å; D1013-T1015 PolarHBondContact O-N 3.01Å; D1013-G1016 WeakPolarHBondContact O-CA 3.46Å; D1013-G1016 PolarHBondContact O-N 3.05Å
1014	S	86.1	Confident	90.6	Very high	9 Å²	9	21.1 Å²	21.1	6%	0.063	12%	0.124	C	C	.	.	H	α-helix	trans	-57.8	-39.1	-174.9	80.3	0	0	0	0	114.9	R979 S1010 R1011 H1146	R979-S1014 PolarHBondContact NH1-O 3.23Å; S1010-S1014 PolarHBondContact O-N 3.36Å; R1011-S1014 WeakPolarHBondContact CA-OG 3.38Å; R1011-S1014 PolarHBondContact O-N 3.01Å; R1011-S1014 PolarHBondContact O-OG 3.26Å; S1014-H1146 PolarHBondContact O-CE1 3.26Å
1015	T	89.3	Confident	91.2	Very high	31 Å²	31	20.1 Å²	20.1	19%	0.19	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1	176.8	63.9	0	0	0	0	112.8	R1011 D1013 Q1022 R1040 V1043	R1011-T1015 WeakPolarHBondContact O-CB 3.33Å; R1011-T1015 PolarHBondContact O-N 3.31Å; R1011-T1015 PolarHBondContact O-OG1 3.43Å; D1013-T1015 VanDerWaalsContact C-N 3.31Å; D1013-T1015 PolarHBondContact O-N 3.01Å; T1015-Q1022 PolarHBondContact OG1-NE2 3.44Å; T1015-R1040 VanDerWaalsContact O-CZ 3.25Å; T1015-R1040 PolarHBondContact O-NH1 2.9Å; T1015-R1040 PolarHBondContact O-NH2 3.4Å; T1015-V1043 HydrophobicContact CG2-CG1 4.06Å
1016	G	88.9	Confident	91.3	Very high	8 Å²	8	24.9 Å²	24.9	8%	0.082	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-64.2	152.4	179.5	0	0	0	0	0	113.2	R979 M1012 D1013 Q1022	R979-G1016 VanDerWaalsContact CD-C 3.42Å; R979-G1016 WeakPolarHBondContact CD-O 3.14Å; R979-G1016 PolarHBondContact NH1-O 3.22Å; M1012-G1016 WeakPolarHBondContact O-CA 3.1Å; M1012-G1016 PolarHBondContact O-N 3.35Å; D1013-G1016 WeakPolarHBondContact O-CA 3.46Å; D1013-G1016 PolarHBondContact O-N 3.05Å; G1016-Q1022 VanDerWaalsContact CA-OE1 3.3Å
1017	V	92.7	Very high	91.4	Very high	61 Å²	61	24.3 Å²	24.3	37%	0.37	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-86.6	133.9	169.5	178.9	0	0	0	0	108.5	G1019 K1020 F1055	V1017-G1019 PolarHBondContact O-N 3.46Å; V1017-K1020 HydrophobicContact CB-CB 4.47Å; V1017-K1020 HydrophobicContact CB-CG 4.31Å; V1017-K1020 HydrophobicContact CG1-CG 4.44Å; V1017-K1020 PolarHBondContact O-N 3.11Å; V1017-F1055 HydrophobicContact CB-CE1 4.4Å; V1017-F1055 HydrophobicContact CB-CZ 4.25Å; V1017-F1055 HydrophobicContact CG2-CE1 4.36Å; V1017-F1055 HydrophobicContact CG2-CZ 3.83Å
1018	P	92.7	Very high	91.9	Very high	72 Å²	72	25 Å²	25	47%	0.468	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	136.9	172.3	-25	34.3	0	0	0	111.6	V977 K1020	V977-P1018 HydrophobicContact CB-CB 4.42Å; V977-P1018 HydrophobicContact CG1-CB 3.64Å; P1018-K1020 VanDerWaalsContact C-N 3.35Å
1019	G	93.6	Very high	92	Very high	19 Å²	19	32.9 Å²	32.9	20%	0.196	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	1	179.8	0	0	0	0	0	114.3	L978 V1017	L978-G1019 VanDerWaalsContact O-CA 3.3Å; L978-G1019 WeakPolarHBondContact O-CA 3.42Å; L978-G1019 PolarHBondContact O-N 3.13Å; V1017-G1019 PolarHBondContact O-N 3.46Å
1020	K	95.1	Very high	91.9	Very high	63 Å²	63	35.1 Å²	35.1	27%	0.274	18%	0.175	S	C	.	.			trans	-125.7	153.8	-175.8	-62	-69.2	180	169.7	0	112.1	V980 V1017 P1018 F1055 E1057	V980-K1020 PolarHBondContact N-O 3.27Å; V1017-K1020 HydrophobicContact CB-CB 4.47Å; V1017-K1020 HydrophobicContact CB-CG 4.31Å; V1017-K1020 HydrophobicContact CG1-CG 4.44Å; V1017-K1020 PolarHBondContact O-N 3.11Å; P1018-K1020 VanDerWaalsContact C-N 3.35Å; K1020-F1055 HydrophobicContact CB-CD1 3.8Å; K1020-F1055 HydrophobicContact CB-CE1 3.94Å; K1020-F1055 HydrophobicContact CG-CD1 4.36Å; K1020-F1055 HydrophobicContact CG-CE1 4.39Å; K1020-E1057 IonicContact NZ-OE1 2.73Å; K1020-E1057 PolarHBondContact NZ-OE1 3.21Å; K1020-E1057 IonicContact NZ-OE2 2.83Å; K1020-E1057 PolarHBondContact NZ-OE2 3.23Å
1021	I	97.4	Very high	92	Very high	7 Å²	7	35 Å²	35	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.1	170.4	-56.1	167.4	0	0	0	107.7	A958 I959 F962 V980 I982 V1023 F1055 L1056	A958-I1021 HydrophobicContact CB-CD1 3.97Å; I959-I1021 HydrophobicContact CG1-CD1 3.83Å; F962-I1021 HydrophobicContact CD2-CD1 4.33Å; F962-I1021 HydrophobicContact CD2-CG1 4.39Å; F962-I1021 HydrophobicContact CE2-CD1 3.92Å; F962-I1021 HydrophobicContact CE2-CG1 3.51Å; F962-I1021 HydrophobicContact CZ-CG1 4.12Å; V980-I1021 HydrophobicContact CB-CB 4.36Å; V980-I1021 HydrophobicContact CB-CG1 4.05Å; V980-I1021 HydrophobicContact CB-CG2 4.16Å; V980-I1021 HydrophobicContact CG1-CG2 4.18Å; V980-I1021 HydrophobicContact CG2-CG1 4.35Å; V980-I1021 CarbonylContact O-C 3.58Å; V980-I1021 WeakPolarHBondContact O-CA 2.93Å; I982-I1021 HydrophobicContact CD1-CG2 3.73Å; I982-I1021 HydrophobicContact CG1-CG2 4.18Å; I1021-V1023 HydrophobicContact CG2-CG1 4.22Å; I1021-F1055 CarbonylContact O-C 3.54Å; I1021-F1055 VanDerWaalsContact O-CA 3.28Å; I1021-F1055 WeakPolarHBondContact O-CA 3.42Å; I1021-L1056 HydrophobicContact CB-CB 4.03Å; I1021-L1056 HydrophobicContact CB-CD2 4.5Å; I1021-L1056 HydrophobicContact CD1-CD2 4.13Å; I1021-L1056 HydrophobicContact CG2-CB 4.03Å; I1021-L1056 HydrophobicContact CG2-CD2 4.04Å; I1021-L1056 PolarHBondContact O-N 3.41Å
1022	Q	96.7	Very high	92	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.7	177.4	-178.8	169.8	-36	0	0	111.2	V980 G981 I982 M1012 T1015 G1016 Y1054 F1055	V980-Q1022 PolarHBondContact O-N 3.3Å; G981-Q1022 WeakPolarHBondContact CA-O 3.34Å; I982-Q1022 PolarHBondContact N-O 3.05Å; M1012-Q1022 HydrophobicContact CB-CB 4.43Å; M1012-Q1022 HydrophobicContact CB-CG 4.17Å; M1012-Q1022 HydrophobicContact SD-CG 3.94Å; M1012-Q1022 PolarHBondContact SD-NE2 3.44Å; T1015-Q1022 PolarHBondContact OG1-NE2 3.44Å; G1016-Q1022 VanDerWaalsContact CA-OE1 3.3Å; Q1022-Y1054 WeakPolarHBondContact CA-O 3.32Å; Q1022-F1055 HydrophobicContact CB-CD1 4.35Å; Q1022-F1055 HydrophobicContact CB-CE1 4.39Å
1023	V	96	Very high	91.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.9	-179.7	-48.2	0	0	0	0	111.4	I982 I1021 A1027 L1037 Y1054 L1056	I982-V1023 HydrophobicContact CB-CG1 4.09Å; I1021-V1023 HydrophobicContact CG2-CG1 4.22Å; V1023-A1027 HydrophobicContact CB-CB 4.03Å; V1023-A1027 HydrophobicContact CG2-CB 4.45Å; V1023-L1037 HydrophobicContact CG2-CD2 3.5Å; V1023-Y1054 PolarHBondContact N-O 3.34Å; V1023-Y1054 PolarHBondContact O-N 3.12Å; V1023-L1056 HydrophobicContact CG1-CB 4.14Å
1024	T	94.2	Very high	91.2	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	162.9	174.4	59	0	0	0	0	112.1	N983 V1008 M1012 E1026 A1027 Y1028 M1051	N983-T1024 HydrophobicContact CB-CG2 4Å; N983-T1024 WeakPolarHBondContact OD1-CB 3.49Å; N983-T1024 WeakPolarHBondContact OD1-CG2 3.4Å; N983-T1024 PolarHBondContact OD1-OG1 3.48Å; V1008-T1024 HydrophobicContact CG1-CG2 3.58Å; M1012-T1024 HydrophobicContact CG-CG2 3.79Å; M1012-T1024 HydrophobicContact SD-CG2 3.85Å; T1024-E1026 PolarHBondContact O-N 3.26Å; T1024-A1027 PolarHBondContact O-N 3.19Å; T1024-A1027 PolarHBondContact OG1-N 3.5Å; T1024-Y1028 PolarHBondContact O-N 3.31Å; T1024-M1051 HydrophobicContact CG2-SD 4.28Å
1025	E	92.4	Very high	91.5	Very high	67 Å²	67	45.8 Å²	45.8	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-57.3	-35.7	173.9	-173.1	-177.7	-180	0	0	112.9	Y1028 R1029 Y1054	E1025-Y1028 WeakPolarHBondContact O-CB 3.45Å; E1025-Y1028 PolarHBondContact O-N 2.87Å; E1025-R1029 WeakPolarHBondContact O-CG 3.49Å; E1025-R1029 PolarHBondContact O-N 2.75Å; E1025-R1029 IonicContact OE1-CZ 3.75Å; E1025-R1029 IonicContact OE1-NE 2.8Å; E1025-R1029 PolarHBondContact OE1-NE 3.11Å; E1025-R1029 IonicContact OE1-NH2 3.46Å; E1025-R1029 PolarHBondContact OE1-NH2 3.31Å; E1025-R1029 IonicContact OE2-NH2 3.81Å; E1025-Y1054 HydrophobicContact CB-CE2 3.97Å; E1025-Y1054 HydrophobicContact CG-CE2 3.98Å
1026	E	90.1	Very high	91.7	Very high	104 Å²	104	48.5 Å²	48.5	49%	0.486	25%	0.252	S	S	.	.	H	α-helix	trans	-65.7	-42.4	177.7	-173.4	167	-169.8	0	0	111.8	V984 T1024 R1029 M1030	V984-E1026 HydrophobicContact CG1-CG 4.2Å; T1024-E1026 PolarHBondContact O-N 3.26Å; E1026-R1029 PolarHBondContact O-N 2.86Å; E1026-M1030 HydrophobicContact CG-CE 3.76Å; E1026-M1030 WeakPolarHBondContact O-CE 3.43Å; E1026-M1030 PolarHBondContact O-N 2.86Å
1027	A	91.5	Very high	91.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-40.5	173.6	0	0	0	0	0	111.9	L951 V984 V1023 T1024 R1029 M1030 L1031	L951-A1027 HydrophobicContact CD2-CB 4.16Å; V984-A1027 HydrophobicContact CG1-CB 4.23Å; V1023-A1027 HydrophobicContact CB-CB 4.03Å; V1023-A1027 HydrophobicContact CG2-CB 4.45Å; T1024-A1027 PolarHBondContact O-N 3.19Å; T1024-A1027 PolarHBondContact OG1-N 3.5Å; A1027-R1029 PolarHBondContact O-N 3.05Å; A1027-M1030 PolarHBondContact O-N 3.24Å; A1027-L1031 WeakPolarHBondContact O-CG 3.47Å; A1027-L1031 PolarHBondContact O-N 3.08Å
1028	Y	92.5	Very high	91.9	Very high	53 Å²	53	49.3 Å²	49.3	21%	0.208	26%	0.255	C	S	.	.	H	α-helix	trans	-55.4	-51	174.3	164.8	-101.5	0	0	0	111.8	T1024 E1025 M1030 L1031 N1032 L1037 Y1054	T1024-Y1028 PolarHBondContact O-N 3.31Å; E1025-Y1028 WeakPolarHBondContact O-CB 3.45Å; E1025-Y1028 PolarHBondContact O-N 2.87Å; Y1028-M1030 PolarHBondContact O-N 3.08Å; Y1028-M1030 VanDerWaalsContact O-N 3.09Å; Y1028-L1031 PolarHBondContact O-N 3.35Å; Y1028-N1032 HydrophobicContact CD2-CB 4.28Å; Y1028-N1032 HydrophobicContact CE2-CB 3.91Å; Y1028-N1032 VanDerWaalsContact CE2-OD1 3.31Å; Y1028-N1032 WeakPolarHBondContact CE2-OD1 3.44Å; Y1028-N1032 VanDerWaalsContact O-CB 3.28Å; Y1028-N1032 WeakPolarHBondContact O-CB 3.47Å; Y1028-N1032 PolarHBondContact O-N 2.79Å; Y1028-N1032 PolarHBondContact OH-ND2 3.24Å; Y1028-N1032 PolarHBondContact OH-OD1 3.42Å; Y1028-L1037 HydrophobicContact CD2-CB 3.55Å; Y1028-L1037 HydrophobicContact CD2-CD1 3.96Å; Y1028-L1037 HydrophobicContact CD2-CD2 4.09Å; Y1028-L1037 HydrophobicContact CD2-CG 4.07Å; Y1028-L1037 HydrophobicContact CE2-CB 3.78Å; Y1028-L1037 HydrophobicContact CE2-CD1 4.42Å; Y1028-Y1054 HydrophobicContact CD1-CD1 4.39Å; Y1028-Y1054 HydrophobicContact CD1-CD2 4.41Å; Y1028-Y1054 AromaticContact CD1-CE1 3.92Å; Y1028-Y1054 HydrophobicContact CD1-CE1 3.92Å; Y1028-Y1054 AromaticContact CD1-CE2 3.97Å; Y1028-Y1054 HydrophobicContact CD1-CE2 3.97Å; Y1028-Y1054 AromaticContact CD1-CZ 3.69Å; Y1028-Y1054 AromaticContact CD2-CD1 3.58Å; Y1028-Y1054 HydrophobicContact CD2-CD1 3.58Å; Y1028-Y1054 HydrophobicContact CD2-CD2 4.39Å; Y1028-Y1054 AromaticContact CD2-CE1 3.84Å; Y1028-Y1054 HydrophobicContact CD2-CE1 3.84Å; Y1028-Y1054 AromaticContact CD2-CG 3.9Å; Y1028-Y1054 HydrophobicContact CD2-CG 3.9Å; Y1028-Y1054 AromaticContact CE1-CE1 3.96Å; Y1028-Y1054 HydrophobicContact CE1-CE1 3.96Å; Y1028-Y1054 AromaticContact CE1-CZ 3.98Å; Y1028-Y1054 AromaticContact CE2-CD1 3.91Å; Y1028-Y1054 HydrophobicContact CE2-CD1 3.91Å; Y1028-Y1054 AromaticContact CE2-CE1 3.89Å; Y1028-Y1054 HydrophobicContact CE2-CE1 3.89Å; Y1028-Y1054 AromaticContact CG-CD1 3.85Å; Y1028-Y1054 HydrophobicContact CG-CD1 3.85Å; Y1028-Y1054 AromaticContact CG-CD2 3.9Å; Y1028-Y1054 HydrophobicContact CG-CD2 3.9Å; Y1028-Y1054 AromaticContact CG-CE1 3.85Å; Y1028-Y1054 HydrophobicContact CG-CE1 3.85Å; Y1028-Y1054 AromaticContact CG-CE2 3.93Å; Y1028-Y1054 HydrophobicContact CG-CE2 3.93Å; Y1028-Y1054 AromaticContact CG-CG 3.88Å; Y1028-Y1054 HydrophobicContact CG-CG 3.88Å; Y1028-Y1054 AromaticContact CG-CZ 3.9Å; Y1028-Y1054 AromaticContact CZ-CE1 3.95Å
1029	R	90.6	Very high	92	Very high	176 Å²	176	49.4 Å²	49.4	66%	0.664	26%	0.256	S	S	*	.	H	α-helix	trans	-57.8	-29.4	-179.2	-72	175.8	-171.9	177.4	3.3	112.9	E1025 E1026 A1027	E1025-R1029 WeakPolarHBondContact O-CG 3.49Å; E1025-R1029 PolarHBondContact O-N 2.75Å; E1025-R1029 IonicContact OE1-CZ 3.75Å; E1025-R1029 IonicContact OE1-NE 2.8Å; E1025-R1029 PolarHBondContact OE1-NE 3.11Å; E1025-R1029 IonicContact OE1-NH2 3.46Å; E1025-R1029 PolarHBondContact OE1-NH2 3.31Å; E1025-R1029 IonicContact OE2-NH2 3.81Å; E1026-R1029 PolarHBondContact O-N 2.86Å; A1027-R1029 PolarHBondContact O-N 3.05Å
1030	M	89.9	Confident	91.9	Very high	47 Å²	47	52.3 Å²	52.3	23%	0.232	26%	0.261	C	S	.	.	H	α-helix	trans	-83.6	-35.4	176.6	-73.3	-172.7	-99.7	0	0	113.1	V947 Y948 L951 V984 E1026 A1027 Y1028	V947-M1030 HydrophobicContact CG1-SD 3.66Å; Y948-M1030 WeakPolarHBondContact CD2-O 3.33Å; Y948-M1030 WeakPolarHBondContact CE2-O 3.2Å; L951-M1030 HydrophobicContact CD2-CB 3.71Å; L951-M1030 HydrophobicContact CD2-CE 4.37Å; L951-M1030 HydrophobicContact CD2-SD 4.25Å; V984-M1030 HydrophobicContact CB-CE 4.31Å; V984-M1030 HydrophobicContact CG1-CE 3.26Å; V984-M1030 HydrophobicContact CG2-CE 4.12Å; E1026-M1030 HydrophobicContact CG-CE 3.76Å; E1026-M1030 WeakPolarHBondContact O-CE 3.43Å; E1026-M1030 PolarHBondContact O-N 2.86Å; A1027-M1030 PolarHBondContact O-N 3.24Å; Y1028-M1030 PolarHBondContact O-N 3.08Å; Y1028-M1030 VanDerWaalsContact O-N 3.09Å
1031	L	90.2	Very high	91.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-92.5	-18.2	-173.8	-67.4	175.4	0	0	0	114.9	L951 A955 A1027 Y1028 S1033 N1034 Y1035 L1037	L951-L1031 HydrophobicContact CB-CD2 4.33Å; L951-L1031 HydrophobicContact CD2-CD1 4.11Å; L951-L1031 HydrophobicContact CD2-CD2 4.09Å; L951-L1031 HydrophobicContact CD2-CG 3.75Å; L951-L1031 HydrophobicContact CG-CD1 4.01Å; L951-L1031 HydrophobicContact CG-CD2 3.9Å; L951-L1031 HydrophobicContact CG-CG 3.95Å; A955-L1031 HydrophobicContact CB-CD1 4.21Å; A1027-L1031 WeakPolarHBondContact O-CG 3.47Å; A1027-L1031 PolarHBondContact O-N 3.08Å; Y1028-L1031 PolarHBondContact O-N 3.35Å; L1031-S1033 PolarHBondContact O-N 3.44Å; L1031-N1034 PolarHBondContact O-N 2.85Å; L1031-N1034 VanDerWaalsContact O-N 3.15Å; L1031-Y1035 HydrophobicContact CB-CD2 3.93Å; L1031-Y1035 HydrophobicContact CB-CG 4.41Å; L1031-Y1035 HydrophobicContact CD2-CD2 3.74Å; L1031-Y1035 HydrophobicContact CD2-CE2 3.64Å; L1031-Y1035 HydrophobicContact CG-CD2 4.36Å; L1031-Y1035 WeakPolarHBondContact O-CD2 3.07Å; L1031-Y1035 PolarHBondContact O-N 2.9Å; L1031-L1037 HydrophobicContact CB-CD1 3.86Å
1032	N	85.1	Confident	91.4	Very high	80 Å²	80	56.8 Å²	56.8	43%	0.428	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-15.8	-169.6	-170.6	42.6	0	0	0	115.7	Y1028 L1037	Y1028-N1032 HydrophobicContact CD2-CB 4.28Å; Y1028-N1032 HydrophobicContact CE2-CB 3.91Å; Y1028-N1032 VanDerWaalsContact CE2-OD1 3.31Å; Y1028-N1032 WeakPolarHBondContact CE2-OD1 3.44Å; Y1028-N1032 VanDerWaalsContact O-CB 3.28Å; Y1028-N1032 WeakPolarHBondContact O-CB 3.47Å; Y1028-N1032 PolarHBondContact O-N 2.79Å; Y1028-N1032 PolarHBondContact OH-ND2 3.24Å; Y1028-N1032 PolarHBondContact OH-OD1 3.42Å; N1032-L1037 HydrophobicContact CB-CD1 4.41Å
1033	S	82.8	Confident	91	Very high	83 Å²	83	57.8 Å²	57.8	58%	0.58	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-29.6	179.1	58.8	0	0	0	0	114.3	L1031	L1031-S1033 PolarHBondContact O-N 3.44Å
1034	N	87.9	Confident	90.5	Very high	83 Å²	83	62.2 Å²	62.2	44%	0.444	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-3.1	-170.6	-68.5	-47.5	0	0	0	113.8	Y948 L1031 V1060	Y948-N1034 WeakPolarHBondContact OH-CB 3.38Å; Y948-N1034 PolarHBondContact OH-ND2 3.32Å; L1031-N1034 PolarHBondContact O-N 2.85Å; L1031-N1034 VanDerWaalsContact O-N 3.15Å; N1034-V1060 PolarHBondContact O-N 2.92Å
1035	Y	92.6	Very high	89.7	Confident	3 Å²	3	62 Å²	62	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145	-178.1	-66.7	-90.5	0	0	0	110.9	S952 A955 D956 I959 L1031 L1037 L1056 G1058 K1059 V1060	S952-Y1035 WeakPolarHBondContact CA-OH 3.4Å; S952-Y1035 WeakPolarHBondContact CB-OH 3.49Å; S952-Y1035 PolarHBondContact O-OH 2.95Å; S952-Y1035 VanDerWaalsContact O-OH 3.08Å; S952-Y1035 PolarHBondContact OG-OH 2.79Å; A955-Y1035 HydrophobicContact CB-CE1 4.02Å; D956-Y1035 VanDerWaalsContact CG-OH 3.31Å; D956-Y1035 WeakPolarHBondContact OD1-CE1 3.06Å; D956-Y1035 PolarHBondContact OD1-OH 2.94Å; I959-Y1035 HydrophobicContact CD1-CD1 4.39Å; I959-Y1035 HydrophobicContact CD1-CE1 4.22Å; L1031-Y1035 HydrophobicContact CB-CD2 3.93Å; L1031-Y1035 HydrophobicContact CB-CG 4.41Å; L1031-Y1035 HydrophobicContact CD2-CD2 3.74Å; L1031-Y1035 HydrophobicContact CD2-CE2 3.64Å; L1031-Y1035 HydrophobicContact CG-CD2 4.36Å; L1031-Y1035 WeakPolarHBondContact O-CD2 3.07Å; L1031-Y1035 PolarHBondContact O-N 2.9Å; Y1035-L1037 PolarHBondContact O-N 3.27Å; Y1035-L1056 HydrophobicContact CD1-CD1 3.75Å; Y1035-L1056 HydrophobicContact CG-CD1 3.93Å; Y1035-G1058 CarbonylContact C-O 3.6Å; Y1035-G1058 WeakPolarHBondContact CA-O 3.11Å; Y1035-K1059 HydrophobicContact CD1-CG 3.8Å; Y1035-K1059 HydrophobicContact CE1-CD 4.4Å; Y1035-K1059 HydrophobicContact CE1-CG 3.59Å; Y1035-V1060 VanDerWaalsContact C-CG2 3.44Å
1036	D	92.2	Very high	88.5	Confident	88 Å²	88	64.1 Å²	64.1	47%	0.471	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111.8	175.2	-170.9	14.6	0	0	0	108.7	E1057 G1058 V1060	D1036-E1057 PolarHBondContact O-N 3.25Å; D1036-G1058 PolarHBondContact N-O 3.48Å; D1036-V1060 HydrophobicContact CB-CG2 4.41Å
1037	L	93	Very high	87.2	Confident	18 Å²	18	60.5 Å²	60.5	9%	0.094	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.2	-175.6	-69.3	124.9	0	0	0	110.6	V1023 Y1028 L1031 N1032 Y1035 F1055 L1056	V1023-L1037 HydrophobicContact CG2-CD2 3.5Å; Y1028-L1037 HydrophobicContact CD2-CB 3.55Å; Y1028-L1037 HydrophobicContact CD2-CD1 3.96Å; Y1028-L1037 HydrophobicContact CD2-CD2 4.09Å; Y1028-L1037 HydrophobicContact CD2-CG 4.07Å; Y1028-L1037 HydrophobicContact CE2-CB 3.78Å; Y1028-L1037 HydrophobicContact CE2-CD1 4.42Å; L1031-L1037 HydrophobicContact CB-CD1 3.86Å; N1032-L1037 HydrophobicContact CB-CD1 4.41Å; Y1035-L1037 PolarHBondContact O-N 3.27Å; L1037-F1055 CarbonylContact C-O 3.57Å; L1037-F1055 WeakPolarHBondContact CA-O 3.24Å; L1037-L1056 HydrophobicContact CD2-CB 4.22Å; L1037-L1056 HydrophobicContact CD2-CD1 4.1Å; L1037-L1056 HydrophobicContact CG-CD1 4.02Å
1038	V	93.7	Very high	86.3	Confident	68 Å²	68	65.4 Å²	65.4	41%	0.412	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.8	-178.7	-178.1	0	0	0	0	109.6	R1040 Y1054 F1055 E1057	V1038-R1040 PolarHBondContact O-N 3.15Å; V1038-Y1054 CarbonylContact O-C 3.53Å; V1038-Y1054 VanDerWaalsContact O-CA 3.26Å; V1038-Y1054 WeakPolarHBondContact O-CA 3.36Å; V1038-F1055 PolarHBondContact N-O 2.96Å; V1038-F1055 PolarHBondContact O-N 3.48Å; V1038-E1057 HydrophobicContact CG2-CG 3.88Å
1039	C	94.3	Very high	85.8	Confident	73 Å²	73	64.6 Å²	64.6	49%	0.493	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	118.3	175.4	179.2	0	0	0	0	110.4	Y1054	C1039-Y1054 HydrophobicContact CB-CD1 4.01Å; C1039-Y1054 HydrophobicContact CB-CE1 3.85Å
1040	R	92.2	Very high	85.6	Confident	80 Å²	80	62.8 Å²	62.8	30%	0.302	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-35.4	173.7	176.6	-178.7	179.7	148.4	-1	111.1	T1015 V1038 V1043 T1053 F1055	T1015-R1040 VanDerWaalsContact O-CZ 3.25Å; T1015-R1040 PolarHBondContact O-NH1 2.9Å; T1015-R1040 PolarHBondContact O-NH2 3.4Å; V1038-R1040 PolarHBondContact O-N 3.15Å; R1040-V1043 HydrophobicContact CG-CG2 4.39Å; R1040-T1053 WeakPolarHBondContact CB-O 3.4Å; R1040-T1053 WeakPolarHBondContact CD-OG1 3.33Å; R1040-T1053 PolarHBondContact N-O 2.95Å; R1040-F1055 HydrophobicContact CB-CD2 3.88Å; R1040-F1055 HydrophobicContact CB-CE2 3.65Å; R1040-F1055 HydrophobicContact CB-CG 4.47Å; R1040-F1055 HydrophobicContact CB-CZ 4.07Å; R1040-F1055 HydrophobicContact CG-CD2 4.26Å; R1040-F1055 HydrophobicContact CG-CE1 4.39Å; R1040-F1055 HydrophobicContact CG-CE2 3.51Å; R1040-F1055 HydrophobicContact CG-CZ 3.6Å
1041	G	91.3	Very high	85.5	Confident	21 Å²	21	62.5 Å²	62.5	22%	0.216	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.7	-167.4	-172.1	0	0	0	0	0	112.3	T1053	G1041-T1053 PolarHBondContact N-O 2.95Å; G1041-T1053 PolarHBondContact O-N 3.32Å; G1041-T1053 PolarHBondContact O-OG1 3.46Å; G1041-T1053 VanDerWaalsContact O-OG1 3.12Å
1042	K	89.7	Confident	85.6	Confident	144 Å²	144	65.1 Å²	65.1	63%	0.626	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.1	-179	-66.7	-173.1	178.7	-178.4	0	110.5	E1050 M1051	K1042-E1050 HydrophobicContact CB-CB 4.35Å; K1042-E1050 HydrophobicContact CD-CB 4.15Å; K1042-E1050 WeakPolarHBondContact CD-OE2 3.43Å; K1042-E1050 IonicContact NZ-OE2 3.56Å; K1042-E1050 PolarHBondContact NZ-OE2 2.98Å; K1042-M1051 CarbonylContact C-O 3.52Å; K1042-M1051 WeakPolarHBondContact CA-O 3.47Å
1043	V	89.8	Confident	86.1	Confident	20 Å²	20	61.3 Å²	61.3	12%	0.121	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.3	176.4	178.1	0	0	0	0	108.2	T1015 R1040 V1045 M1051 T1053	T1015-V1043 HydrophobicContact CG2-CG1 4.06Å; R1040-V1043 HydrophobicContact CG-CG2 4.39Å; V1043-V1045 PolarHBondContact O-N 2.74Å; V1043-M1051 PolarHBondContact N-O 3.34Å; V1043-M1051 PolarHBondContact O-N 2.69Å; V1043-T1053 HydrophobicContact CB-CG2 4.34Å; V1043-T1053 HydrophobicContact CG2-CG2 4.39Å; V1043-T1053 WeakPolarHBondContact CG2-OG1 3.35Å
1044	S	84.6	Confident	86.7	Confident	94 Å²	94	58.5 Å²	58.5	66%	0.657	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	114.6	174	-171.9	0	0	0	0	109.3
1045	V	78	Confident	87.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.3	178.1	178.5	0	0	0	0	107.7	R1011 M1012 V1043 G1047 K1048 G1049 M1051	R1011-V1045 HydrophobicContact CB-CG1 3.9Å; R1011-V1045 HydrophobicContact CG-CG1 3.81Å; M1012-V1045 HydrophobicContact CE-CG2 3.76Å; V1043-V1045 PolarHBondContact O-N 2.74Å; V1045-G1047 PolarHBondContact O-N 2.72Å; V1045-K1048 HydrophobicContact CB-CB 4.2Å; V1045-K1048 HydrophobicContact CG1-CB 4.18Å; V1045-K1048 HydrophobicContact CG1-CG 4.27Å; V1045-K1048 PolarHBondContact O-N 2.86Å; V1045-G1049 PolarHBondContact N-O 2.78Å; V1045-G1049 PolarHBondContact O-N 2.89Å; V1045-M1051 HydrophobicContact CB-CB 4.41Å; V1045-M1051 HydrophobicContact CG2-CB 3.83Å; V1045-M1051 HydrophobicContact CG2-SD 4.44Å
1046	K	66.6	Low	87.2	Confident	111 Å²	111	56 Å²	56	48%	0.483	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	125.9	172.6	-165.5	169.2	150.5	-158.3	0	108.4	D1157	K1046-D1157 WeakPolarHBondContact CB-OD1 3.44Å; K1046-D1157 HydrophobicContact CD-CB 4.3Å; K1046-D1157 WeakPolarHBondContact CD-OD1 3.49Å; K1046-D1157 VanDerWaalsContact CD-OD2 3.28Å; K1046-D1157 WeakPolarHBondContact CD-OD2 3.28Å; K1046-D1157 WeakPolarHBondContact CE-OD1 3.5Å; K1046-D1157 VanDerWaalsContact CE-OD2 3.23Å; K1046-D1157 WeakPolarHBondContact CE-OD2 3.5Å; K1046-D1157 WeakPolarHBondContact CG-OD1 3.49Å; K1046-D1157 IonicContact NZ-OD1 2.63Å; K1046-D1157 IonicContact NZ-OD2 2.79Å; K1046-D1157 PolarHBondContact NZ-OD2 2.65Å
1047	G	63.7	Low	87.1	Confident	27 Å²	27	55 Å²	55	28%	0.278	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.9	-29	-168.9	0	0	0	0	0	114.7	V1045 A1159	V1045-G1047 PolarHBondContact O-N 2.72Å; G1047-A1159 WeakPolarHBondContact CA-O 3.36Å; G1047-A1159 PolarHBondContact N-O 3.01Å; G1047-A1159 WeakPolarHBondContact O-CB 3.29Å
1048	K	71.3	Confident	86.9	Confident	104 Å²	104	54.8 Å²	54.8	45%	0.452	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	-13.2	-161.6	-63.5	-65	-179.6	-170.9	0	114.8	N1004 V1045 M1051	N1004-K1048 PolarHBondContact ND2-NZ 2.9Å; N1004-K1048 WeakPolarHBondContact OD1-CE 3.44Å; N1004-K1048 PolarHBondContact OD1-NZ 2.83Å; V1045-K1048 HydrophobicContact CB-CB 4.2Å; V1045-K1048 HydrophobicContact CG1-CB 4.18Å; V1045-K1048 HydrophobicContact CG1-CG 4.27Å; V1045-K1048 PolarHBondContact O-N 2.86Å; K1048-M1051 HydrophobicContact CB-CE 3.78Å; K1048-M1051 HydrophobicContact CD-CE 4.4Å; K1048-M1051 HydrophobicContact CG-CE 3.72Å
1049	G	81.9	Confident	86.6	Confident	36 Å²	36	57 Å²	57	37%	0.371	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.8	-148.1	-171.2	0	0	0	0	0	111	V1045 M1051	V1045-G1049 PolarHBondContact N-O 2.78Å; V1045-G1049 PolarHBondContact O-N 2.89Å; G1049-M1051 PolarHBondContact O-N 3.02Å
1050	E	87.1	Confident	86	Confident	137 Å²	137	57.4 Å²	57.4	64%	0.64	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.7	177.4	-64.3	-170.6	158.2	0	0	111.7	K1042	K1042-E1050 HydrophobicContact CB-CB 4.35Å; K1042-E1050 HydrophobicContact CD-CB 4.15Å; K1042-E1050 WeakPolarHBondContact CD-OE2 3.43Å; K1042-E1050 IonicContact NZ-OE2 3.56Å; K1042-E1050 PolarHBondContact NZ-OE2 2.98Å
1051	M	87.8	Confident	84.4	Confident	41 Å²	41	62 Å²	62	20%	0.202	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.1	176.7	-173.8	175.2	-66.5	0	0	110.8	V1008 M1012 T1024 K1042 V1043 V1045 K1048 G1049 T1053	V1008-M1051 HydrophobicContact CG1-CE 4.45Å; V1008-M1051 HydrophobicContact CG1-SD 4.27Å; M1012-M1051 HydrophobicContact CE-SD 4.4Å; T1024-M1051 HydrophobicContact CG2-SD 4.28Å; K1042-M1051 CarbonylContact C-O 3.52Å; K1042-M1051 WeakPolarHBondContact CA-O 3.47Å; V1043-M1051 PolarHBondContact N-O 3.34Å; V1043-M1051 PolarHBondContact O-N 2.69Å; V1045-M1051 HydrophobicContact CB-CB 4.41Å; V1045-M1051 HydrophobicContact CG2-CB 3.83Å; V1045-M1051 HydrophobicContact CG2-SD 4.44Å; K1048-M1051 HydrophobicContact CB-CE 3.78Å; K1048-M1051 HydrophobicContact CD-CE 4.4Å; K1048-M1051 HydrophobicContact CG-CE 3.72Å; G1049-M1051 PolarHBondContact O-N 3.02Å; M1051-T1053 HydrophobicContact CG-CG2 4.47Å
1052	L	92.6	Very high	82.2	Confident	55 Å²	55	64.3 Å²	64.3	29%	0.288	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.3	172.6	-172.4	63.7	0	0	0	110.2	Y1054	L1052-Y1054 HydrophobicContact CD2-CE2 4.18Å; L1052-Y1054 WeakPolarHBondContact CD2-OH 3.48Å; L1052-Y1054 HydrophobicContact CG-CE2 4.02Å
1053	T	94.7	Very high	79.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158.3	-174.3	59.4	0	0	0	0	111.7	M1012 R1040 G1041 V1043 M1051	M1012-T1053 HydrophobicContact CE-CG2 4.02Å; M1012-T1053 HydrophobicContact SD-CG2 3.66Å; R1040-T1053 WeakPolarHBondContact CB-O 3.4Å; R1040-T1053 WeakPolarHBondContact CD-OG1 3.33Å; R1040-T1053 PolarHBondContact N-O 2.95Å; G1041-T1053 PolarHBondContact N-O 2.95Å; G1041-T1053 PolarHBondContact O-N 3.32Å; G1041-T1053 PolarHBondContact O-OG1 3.46Å; G1041-T1053 VanDerWaalsContact O-OG1 3.12Å; V1043-T1053 HydrophobicContact CB-CG2 4.34Å; V1043-T1053 HydrophobicContact CG2-CG2 4.39Å; V1043-T1053 WeakPolarHBondContact CG2-OG1 3.35Å; M1051-T1053 HydrophobicContact CG-CG2 4.47Å
1054	Y	96.3	Very high	77.4	Confident	24 Å²	24	68.1 Å²	68.1	9%	0.094	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.5	-176.8	-61.6	-100.4	0	0	0	110.3	Q1022 V1023 E1025 Y1028 V1038 C1039 L1052	Q1022-Y1054 WeakPolarHBondContact CA-O 3.32Å; V1023-Y1054 PolarHBondContact N-O 3.34Å; V1023-Y1054 PolarHBondContact O-N 3.12Å; E1025-Y1054 HydrophobicContact CB-CE2 3.97Å; E1025-Y1054 HydrophobicContact CG-CE2 3.98Å; Y1028-Y1054 HydrophobicContact CD1-CD1 4.39Å; Y1028-Y1054 HydrophobicContact CD1-CD2 4.41Å; Y1028-Y1054 AromaticContact CD1-CE1 3.92Å; Y1028-Y1054 HydrophobicContact CD1-CE1 3.92Å; Y1028-Y1054 AromaticContact CD1-CE2 3.97Å; Y1028-Y1054 HydrophobicContact CD1-CE2 3.97Å; Y1028-Y1054 AromaticContact CD1-CZ 3.69Å; Y1028-Y1054 AromaticContact CD2-CD1 3.58Å; Y1028-Y1054 HydrophobicContact CD2-CD1 3.58Å; Y1028-Y1054 HydrophobicContact CD2-CD2 4.39Å; Y1028-Y1054 AromaticContact CD2-CE1 3.84Å; Y1028-Y1054 HydrophobicContact CD2-CE1 3.84Å; Y1028-Y1054 AromaticContact CD2-CG 3.9Å; Y1028-Y1054 HydrophobicContact CD2-CG 3.9Å; Y1028-Y1054 AromaticContact CE1-CE1 3.96Å; Y1028-Y1054 HydrophobicContact CE1-CE1 3.96Å; Y1028-Y1054 AromaticContact CE1-CZ 3.98Å; Y1028-Y1054 AromaticContact CE2-CD1 3.91Å; Y1028-Y1054 HydrophobicContact CE2-CD1 3.91Å; Y1028-Y1054 AromaticContact CE2-CE1 3.89Å; Y1028-Y1054 HydrophobicContact CE2-CE1 3.89Å; Y1028-Y1054 AromaticContact CG-CD1 3.85Å; Y1028-Y1054 HydrophobicContact CG-CD1 3.85Å; Y1028-Y1054 AromaticContact CG-CD2 3.9Å; Y1028-Y1054 HydrophobicContact CG-CD2 3.9Å; Y1028-Y1054 AromaticContact CG-CE1 3.85Å; Y1028-Y1054 HydrophobicContact CG-CE1 3.85Å; Y1028-Y1054 AromaticContact CG-CE2 3.93Å; Y1028-Y1054 HydrophobicContact CG-CE2 3.93Å; Y1028-Y1054 AromaticContact CG-CG 3.88Å; Y1028-Y1054 HydrophobicContact CG-CG 3.88Å; Y1028-Y1054 AromaticContact CG-CZ 3.9Å; Y1028-Y1054 AromaticContact CZ-CE1 3.95Å; V1038-Y1054 CarbonylContact O-C 3.53Å; V1038-Y1054 VanDerWaalsContact O-CA 3.26Å; V1038-Y1054 WeakPolarHBondContact O-CA 3.36Å; C1039-Y1054 HydrophobicContact CB-CD1 4.01Å; C1039-Y1054 HydrophobicContact CB-CE1 3.85Å; L1052-Y1054 HydrophobicContact CD2-CE2 4.18Å; L1052-Y1054 WeakPolarHBondContact CD2-OH 3.48Å; L1052-Y1054 HydrophobicContact CG-CE2 4.02Å
1055	F	96.5	Very high	74.8	Confident	29 Å²	29	70.2 Å²	70.2	13%	0.127	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.9	166.6	-66	-56	0	0	0	109.9	V1017 K1020 I1021 Q1022 L1037 V1038 R1040	V1017-F1055 HydrophobicContact CB-CE1 4.4Å; V1017-F1055 HydrophobicContact CB-CZ 4.25Å; V1017-F1055 HydrophobicContact CG2-CE1 4.36Å; V1017-F1055 HydrophobicContact CG2-CZ 3.83Å; K1020-F1055 HydrophobicContact CB-CD1 3.8Å; K1020-F1055 HydrophobicContact CB-CE1 3.94Å; K1020-F1055 HydrophobicContact CG-CD1 4.36Å; K1020-F1055 HydrophobicContact CG-CE1 4.39Å; I1021-F1055 CarbonylContact O-C 3.54Å; I1021-F1055 VanDerWaalsContact O-CA 3.28Å; I1021-F1055 WeakPolarHBondContact O-CA 3.42Å; Q1022-F1055 HydrophobicContact CB-CD1 4.35Å; Q1022-F1055 HydrophobicContact CB-CE1 4.39Å; L1037-F1055 CarbonylContact C-O 3.57Å; L1037-F1055 WeakPolarHBondContact CA-O 3.24Å; V1038-F1055 PolarHBondContact N-O 2.96Å; V1038-F1055 PolarHBondContact O-N 3.48Å; R1040-F1055 HydrophobicContact CB-CD2 3.88Å; R1040-F1055 HydrophobicContact CB-CE2 3.65Å; R1040-F1055 HydrophobicContact CB-CG 4.47Å; R1040-F1055 HydrophobicContact CB-CZ 4.07Å; R1040-F1055 HydrophobicContact CG-CD2 4.26Å; R1040-F1055 HydrophobicContact CG-CE1 4.39Å; R1040-F1055 HydrophobicContact CG-CE2 3.51Å; R1040-F1055 HydrophobicContact CG-CZ 3.6Å
1056	L	95.1	Very high	72.8	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.021	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.2	169.5	173.4	70.6	0	0	0	108.3	A955 I959 I1021 V1023 Y1035 L1037	A955-L1056 HydrophobicContact CB-CD2 3.92Å; I959-L1056 HydrophobicContact CD1-CD2 4.4Å; I1021-L1056 HydrophobicContact CB-CB 4.03Å; I1021-L1056 HydrophobicContact CB-CD2 4.5Å; I1021-L1056 HydrophobicContact CD1-CD2 4.13Å; I1021-L1056 HydrophobicContact CG2-CB 4.03Å; I1021-L1056 HydrophobicContact CG2-CD2 4.04Å; I1021-L1056 PolarHBondContact O-N 3.41Å; V1023-L1056 HydrophobicContact CG1-CB 4.14Å; Y1035-L1056 HydrophobicContact CD1-CD1 3.75Å; Y1035-L1056 HydrophobicContact CG-CD1 3.93Å; L1037-L1056 HydrophobicContact CD2-CB 4.22Å; L1037-L1056 HydrophobicContact CD2-CD1 4.1Å; L1037-L1056 HydrophobicContact CG-CD1 4.02Å
1057	E	89.6	Confident	70.9	Confident	68 Å²	68	76 Å²	76	32%	0.318	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-25.7	-177.1	-65.9	-66.1	159.4	0	0	112.8	K1020 D1036 V1038	K1020-E1057 IonicContact NZ-OE1 2.73Å; K1020-E1057 PolarHBondContact NZ-OE1 3.21Å; K1020-E1057 IonicContact NZ-OE2 2.83Å; K1020-E1057 PolarHBondContact NZ-OE2 3.23Å; D1036-E1057 PolarHBondContact O-N 3.25Å; V1038-E1057 HydrophobicContact CG2-CG 3.88Å
1058	G	89	Confident	69.5	Low	13 Å²	13	81.4 Å²	81.4	13%	0.134	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-166.9	178.2	0	0	0	0	0	113.4	Y1035 D1036	Y1035-G1058 CarbonylContact C-O 3.6Å; Y1035-G1058 WeakPolarHBondContact CA-O 3.11Å; D1036-G1058 PolarHBondContact N-O 3.48Å
1059	K	87.6	Confident	67.5	Low	114 Å²	114	81.7 Å²	81.7	50%	0.496	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	140.4	171	-81	-175.4	177.9	169.2	0	111.2	D956 Y1035 Q1061	D956-K1059 VanDerWaalsContact CG-CE 3.44Å; D956-K1059 WeakPolarHBondContact OD1-CE 3.48Å; D956-K1059 IonicContact OD1-NZ 3.46Å; D956-K1059 PolarHBondContact OD1-NZ 2.82Å; D956-K1059 WeakPolarHBondContact OD2-CE 3.24Å; D956-K1059 IonicContact OD2-NZ 2.74Å; D956-K1059 PolarHBondContact OD2-NZ 2.79Å; Y1035-K1059 HydrophobicContact CD1-CG 3.8Å; Y1035-K1059 HydrophobicContact CE1-CD 4.4Å; Y1035-K1059 HydrophobicContact CE1-CG 3.59Å; K1059-Q1061 PolarHBondContact O-N 2.83Å; K1059-Q1061 VanDerWaalsContact O-N 3.13Å
1060	V	81.8	Confident	65.1	Low	83 Å²	83	85.5 Å²	85.5	50%	0.503	52%	0.517	S	S	.	.			trans	-66.4	112.6	170.4	-178.3	0	0	0	0	108	N1034 Y1035 D1036 G1062	N1034-V1060 PolarHBondContact O-N 2.92Å; Y1035-V1060 VanDerWaalsContact C-CG2 3.44Å; D1036-V1060 HydrophobicContact CB-CG2 4.41Å; V1060-G1062 PolarHBondContact O-N 3.39Å
1061	Q	58.6	Low	62.4	Low	177 Å²	177	85.1 Å²	85.1	83%	0.827	52%	0.523	S	S	*	.			trans	-68.1	117.4	171.3	-71.6	-177.1	10.3	0	0	108.4	K1059 I1063	K1059-Q1061 PolarHBondContact O-N 2.83Å; K1059-Q1061 VanDerWaalsContact O-N 3.13Å; Q1061-I1063 PolarHBondContact O-N 3.16Å
1062	G	44	Very low	59.5	Low	69 Å²	69	91.3 Å²	91.3	71%	0.711	55%	0.554	S	S	*	*			trans	-54.4	133.9	175.7	0	0	0	0	0	110.9	V1060 G1064	V1060-G1062 PolarHBondContact O-N 3.39Å; G1062-G1064 PolarHBondContact O-N 3.37Å
1063	I	41	Very low	56.7	Low	186 Å²	186	97.9 Å²	97.9	95%	0.954	58%	0.575	S	S	*	*	S	Bend	trans	-49.9	106.5	-178.9	-66	167	0	0	0	110.2	Q1061	Q1061-I1063 PolarHBondContact O-N 3.16Å
1064	G	37.5	Very low	53.6	Low	57 Å²	57	102.4 Å²	102.4	59%	0.588	61%	0.606	S	S	*	*	S	Bend	trans	-156.6	93.3	171.3	0	0	0	0	0	108.1	G1062	G1062-G1064 PolarHBondContact O-N 3.37Å
1065	T	30.4	Very low	50.5	Low	139 Å²	139	107.9 Å²	107.9	85%	0.853	64%	0.643	S	S	*	*	S	Bend	trans	67.6	108.4	178.8	52.2	0	0	0	0	117.2	T1067	T1065-T1067 PolarHBondContact O-N 2.83Å
1066	A	35.3	Very low	47.2	Very low	103 Å²	103	111.9 Å²	111.9	85%	0.851	67%	0.674	S	S	*	*			trans	-58.8	125	172.9	0	0	0	0	0	111.9
1067	T	26.5	Very low	44.4	Very low	130 Å²	130	118.8 Å²	118.8	80%	0.798	71%	0.71	S	S	*	*			trans	-136.1	115.6	143.7	-22.4	0	0	0	0	107	T1065 S1069	T1065-T1067 PolarHBondContact O-N 2.83Å; T1067-S1069 PolarHBondContact O-N 2.85Å
1068	T	35.8	Very low	41.7	Very low	141 Å²	141	119.6 Å²	119.6	87%	0.865	73%	0.729	S	S	*	*			trans	-59.2	120.4	174.1	37.7	0	0	0	0	110.6
1069	S	27.9	Very low	38.7	Very low	109 Å²	109	130.4 Å²	130.4	76%	0.762	77%	0.765	S	S	*	*			trans	-143.4	80.8	163.8	53.1	0	0	0	0	110.1	T1067 V1071	T1067-S1069 PolarHBondContact O-N 2.85Å; S1069-V1071 PolarHBondContact O-N 2.82Å
1070	S	32.2	Very low	35.8	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	79%	0.786	S	S	*	*			trans	-77.1	97.1	152.5	53.3	0	0	0	0	108.1
1071	V	29.9	Very low	33.2	Very low	129 Å²	129	139.7 Å²	139.7	78%	0.782	80%	0.798	S	S	*	*			trans	-147.3	127.9	165.4	-172.8	0	0	0	0	110.8	S1069	S1069-V1071 PolarHBondContact O-N 2.82Å
1072	M	27.4	Very low	31.7	Very low	171 Å²	171	139.7 Å²	139.7	84%	0.842	80%	0.797	S	S	*	*			trans	-18.2	130.9	155	-83.4	158	105.6	0	0	115.2	S1074	M1072-S1074 VanDerWaalsContact C-N 3.33Å; M1072-S1074 PolarHBondContact O-N 3.41Å
1073	R	34.1	Very low	30.7	Very low	193 Å²	193	142 Å²	142	73%	0.728	80%	0.802	S	S	*	*	S	Bend	trans	-66.8	91.3	160.3	-84.9	-178	178	171.2	-1.4	109
1074	S	29.4	Very low	29.9	Very low	95 Å²	95	139 Å²	139	66%	0.664	80%	0.797	S	S	*	*			trans	-157.4	133.9	153.2	-82.3	0	0	0	0	109.7	M1072	M1072-S1074 VanDerWaalsContact C-N 3.33Å; M1072-S1074 PolarHBondContact O-N 3.41Å
1075	T	31.7	Very low	29.3	Very low	139 Å²	139	139.9 Å²	139.9	85%	0.853	81%	0.806	S	S	*	*			trans	60.4	106.4	169.9	57.5	0	0	0	0	117.9
1076	S	26.4	Very low	29.1	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	81%	0.806	S	S	*	*				176.5	120.8	118.8	59.8	0	0	0	0	112
1077	L	35.5	Very low	28.6	Very low	149 Å²	149	145.1 Å²	145.1	78%	0.78	81%	0.81	S	S	*	*			trans	-46.2	145.1	145.7	-118.7	82.8	0	0	0	109.6
1078	A	34.3	Very low	28.6	Very low	85 Å²	85	143.9 Å²	143.9	70%	0.702	81%	0.807	S	S	*	*			trans	94.3	74.5	172.9	0	0	0	0	0	117.6
1079	R	25.5	Very low	28.1	Very low	240 Å²	240	143.4 Å²	143.4	91%	0.906	80%	0.804	S	S	*	*				-177.1	113.7	126.7	-110.7	174.1	-80.4	179.4	-5.9	111.9
1080	R	26.1	Very low	28	Very low	244 Å²	244	143.9 Å²	143.9	92%	0.921	80%	0.804	S	S	*	*				-177.2	106.4	127.5	-100.6	170.2	-163.7	-164.8	5.5	110.9
1081	I	28	Very low	27.7	Very low	147 Å²	147	144.7 Å²	144.7	75%	0.754	80%	0.804	S	S	*	*			trans	-106.4	130.2	159.8	-73.3	175.4	0	0	0	106.1
1082	H	26.4	Very low	27.5	Very low	178 Å²	178	147.3 Å²	147.3	82%	0.824	81%	0.808	S	S	*	*			trans	70.9	132.7	177	-58.6	-40.6	0	0	0	116.5
1083	S	23.1	Very low	27.4	Very low	116 Å²	116	147.5 Å²	147.5	81%	0.811	81%	0.811	S	S	*	*			cis	-160	132.6	34.3	122.5	0	0	0	0	110.9
1084	C	23.6	Very low	27	Very low	125 Å²	125	141.6 Å²	141.6	85%	0.845	81%	0.811	S	S	*	*			trans	-157.3	114.5	141.5	-162.8	0	0	0	0	108.8	K1086	C1084-K1086 PolarHBondContact O-N 3.4Å
1085	G	25.1	Very low	26.6	Very low	75 Å²	75	143 Å²	143	77%	0.773	82%	0.821	S	S	*	*			trans	-66.9	126.8	-179.7	0	0	0	0	0	112
1086	K	26.8	Very low	26.3	Very low	199 Å²	199	142.9 Å²	142.9	87%	0.865	82%	0.819	S	S	*	*			trans	-103.5	111.3	156	-75.9	-178.3	178.5	175	0	107.6	C1084 S1088	C1084-K1086 PolarHBondContact O-N 3.4Å; K1086-S1088 PolarHBondContact O-N 3.21Å
1087	T	24.6	Very low	26.2	Very low	152 Å²	152	142.9 Å²	142.9	93%	0.933	82%	0.819	S	S	*	*			trans	-71.6	105.4	159.7	39.2	0	0	0	0	108.3
1088	S	26.4	Very low	25.7	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	82%	0.82	S	S	*	*			trans	-124.2	119.5	164.2	56.4	0	0	0	0	109.4	K1086	K1086-S1088 PolarHBondContact O-N 3.21Å
1089	V	25.5	Very low	25.2	Very low	131 Å²	131	142 Å²	142	79%	0.794	83%	0.827	S	S	*	*			trans	-59.2	131.6	172.9	176.5	0	0	0	0	109.7	T1091	V1089-T1091 PolarHBondContact O-N 3.08Å
1090	P	25.6	Very low	25.2	Very low	119 Å²	119	135.6 Å²	135.6	77%	0.773	83%	0.825	S	S	*	*			trans	-86.1	113	173.1	31.1	-27.9	0	0	0	110.2
1091	T	26.6	Very low	25	Very low	134 Å²	134	128.7 Å²	128.7	82%	0.822	81%	0.814	S	S	*	*			trans	-79.5	117.7	160.4	22.3	0	0	0	0	109.4	V1089 L1093	V1089-T1091 PolarHBondContact O-N 3.08Å; T1091-L1093 PolarHBondContact O-N 3.17Å
1092	H	25.7	Very low	24.8	Very low	185 Å²	185	129.5 Å²	129.5	86%	0.856	82%	0.819	S	S	*	*			trans	-42.4	124	166.2	-102.2	-98.9	0	0	0	112.7
1093	L	25.6	Very low	24.7	Very low	174 Å²	174	125.7 Å²	125.7	91%	0.911	82%	0.818	S	S	*	*			trans	-142.3	129.4	149.4	-117.2	103.8	0	0	0	110.1	T1091	T1091-L1093 PolarHBondContact O-N 3.17Å
1094	G	25.4	Very low	24.7	Very low	70 Å²	70	125.1 Å²	125.1	72%	0.722	82%	0.82	S	S	*	*			trans	-73.5	158.5	-165.9	0	0	0	0	0	115.4	V1096	G1094-V1096 PolarHBondContact O-N 2.99Å
1095	S	21.7	Very low	24.7	Very low	125 Å²	125	128.3 Å²	128.3	87%	0.874	82%	0.823	S	S	*	*			trans	-61.6	126.2	168.8	60.2	0	0	0	0	110.8
1096	V	24.6	Very low	24.7	Very low	136 Å²	136	129.2 Å²	129.2	82%	0.824	82%	0.823	S	S	*	*			trans	-127.6	113.1	153.8	-177.6	0	0	0	0	107.8	G1094	G1094-V1096 PolarHBondContact O-N 2.99Å
1097	S	24.6	Very low	24.4	Very low	112 Å²	112	125.6 Å²	125.6	78%	0.783	82%	0.823	S	S	*	*			trans	-71.4	134.7	165.2	48	0	0	0	0	110.7
1098	S	24.8	Very low	24.5	Very low	115 Å²	115	127.5 Å²	127.5	80%	0.804	82%	0.823	S	S	*	*			trans	-157.6	116.2	147.3	62.4	0	0	0	0	111.4
1099	A	23.9	Very low	24.4	Very low	102 Å²	102	126.1 Å²	126.1	84%	0.843	83%	0.826	S	S	*	*			trans	-67	144.1	157.4	0	0	0	0	0	110.2
1100	A	24.6	Very low	24.3	Very low	104 Å²	104	123.3 Å²	123.3	86%	0.86	82%	0.823	S	S	*	*			trans	-176.6	140.2	135.5	0	0	0	0	0	111.2
1101	S	23.3	Very low	24.2	Very low	99 Å²	99	124.7 Å²	124.7	69%	0.692	82%	0.824	S	S	*	*			trans	-85.8	171.6	-175.8	51	0	0	0	0	114.7
1102	L	24.1	Very low	24.1	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	82%	0.818	S	S	*	*			trans	79.2	116.6	149.9	-71.5	151.3	0	0	0	118.7
1103	A	22.4	Very low	23.9	Very low	98 Å²	98	124.5 Å²	124.5	81%	0.81	81%	0.812	S	S	*	*				153.7	125.5	98.9	0	0	0	0	0	112.2
1104	A	23.8	Very low	23.8	Very low	103 Å²	103	121.8 Å²	121.8	85%	0.851	80%	0.803	S	S	*	*			trans	-173.3	97.8	136	0	0	0	0	0	110.7
1105	Q	23.9	Very low	23.7	Very low	193 Å²	193	123.1 Å²	123.1	90%	0.902	80%	0.801	S	S	*	*			trans	-65.6	130.6	156.4	-87.4	174.1	-24.5	0	0	109
1106	A	24.2	Very low	23.8	Very low	93 Å²	93	122.5 Å²	122.5	77%	0.769	80%	0.797	S	S	*	*				90.8	127.5	84.1	0	0	0	0	0	114.5
1107	S	22.2	Very low	23.8	Very low	123 Å²	123	120.2 Å²	120.2	86%	0.86	79%	0.792	S	S	*	*			trans	-145.3	121.5	139.5	77.1	0	0	0	0	110.4
1108	M	25.6	Very low	23.7	Very low	192 Å²	192	121.7 Å²	121.7	95%	0.946	79%	0.791	S	S	*	*			trans	-76.7	157.5	-179.8	-80.8	-91.3	-173.1	0	0	113.5
1109	G	23.6	Very low	23.7	Very low	76 Å²	76	122.7 Å²	122.7	78%	0.784	79%	0.786	S	S	*	*			trans	-163	112.9	152	0	0	0	0	0	109.7
1110	G	23.9	Very low	23.7	Very low	71 Å²	71	122.6 Å²	122.6	73%	0.732	78%	0.779	S	S	*	*			trans	-62.4	179.7	-173.2	0	0	0	0	0	116.1
1111	N	23.4	Very low	23.6	Very low	148 Å²	148	125 Å²	125	79%	0.791	78%	0.778	S	S	*	*			cis	-163.9	139	40.3	-115.3	-2.8	0	0	0	112.2
1112	F	24.3	Very low	23.7	Very low	160 Å²	160	126.1 Å²	126.1	70%	0.702	79%	0.786	S	S	*	*				63.8	122.4	128	-88.5	-113.4	0	0	0	124.3
1113	Q	23.2	Very low	23.6	Very low	156 Å²	156	127.2 Å²	127.2	73%	0.729	79%	0.786	S	S	*	*			trans	70.4	138.4	135.7	-73.3	-178.9	-19.3	0	0	117.7
1114	T	22.6	Very low	23.6	Very low	117 Å²	117	126.9 Å²	126.9	72%	0.718	78%	0.783	S	S	*	*			cis	-173.6	157.6	15.8	16.5	0	0	0	0	103.3
1115	S	23.5	Very low	23.6	Very low	98 Å²	98	129.1 Å²	129.1	69%	0.685	79%	0.787	S	S	*	*			cis	-179.9	132.2	44.9	-1.6	0	0	0	0	108.5
1116	S	22.5	Very low	23.4	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	78%	0.781	S	S	*	*			trans	31.9	126.5	133	60.2	0	0	0	0	120.4
1117	A	24.9	Very low	23.3	Very low	88 Å²	88	129 Å²	129	73%	0.727	79%	0.786	S	S	*	*				164.4	124	80	0	0	0	0	0	113.1
1118	N	23.1	Very low	23.6	Very low	142 Å²	142	128.5 Å²	128.5	76%	0.759	78%	0.78	S	S	*	*				61.5	117.6	127.8	-75.5	-2.2	0	0	0	124.8
1119	I	24.9	Very low	23.6	Very low	137 Å²	137	124.7 Å²	124.7	70%	0.703	77%	0.772	S	S	*	*				97.7	126.1	114.6	-67	169.8	0	0	0	120.3
1120	S	23.3	Very low	23.8	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	77%	0.774	S	S	*	*			trans	78.4	112.5	145.4	65.5	0	0	0	0	123.3
1121	N	23.9	Very low	23.6	Very low	155 Å²	155	129.7 Å²	129.7	83%	0.829	78%	0.779	S	S	*	*				25.7	128.3	116.8	-74.1	-4.6	0	0	0	119.3
1122	S	23.5	Very low	23.7	Very low	123 Å²	123	129.7 Å²	129.7	86%	0.86	78%	0.784	S	S	*	*				176.4	166.9	107.8	49.2	0	0	0	0	112.6
1123	Q	22.2	Very low	23.7	Very low	188 Å²	188	130.2 Å²	130.2	88%	0.879	79%	0.794	S	S	*	*			trans	-83.1	152.3	-156.4	-69.3	158.9	-47	0	0	116.2
1124	A	24.1	Very low	23.6	Very low	90 Å²	90	126.2 Å²	126.2	74%	0.744	79%	0.794	S	S	*	*			trans	37.1	132.7	133.2	0	0	0	0	0	121.8
1125	T	22.5	Very low	23.6	Very low	151 Å²	151	130 Å²	130	93%	0.926	80%	0.804	S	S	*	*			trans	-166	146.2	132	7.3	0	0	0	0	112.1
1126	C	21.1	Very low	23.9	Very low	117 Å²	117	132 Å²	132	79%	0.791	81%	0.812	S	S	*	*			trans	-104.6	162.7	-176.3	-69.7	0	0	0	0	112.9
1127	L	21.1	Very low	23.9	Very low	166 Å²	166	135.6 Å²	135.6	87%	0.869	82%	0.816	S	S	*	*			trans	83.2	157.6	157	-64.7	159.1	0	0	0	118.4
1128	P	29.5	Very low	24	Very low	112 Å²	112	139 Å²	139	73%	0.727	82%	0.822	S	S	*	*			cis	-134.8	-176.2	-33.1	33.9	-13.2	0	0	0	113.9
1129	S	24.5	Very low	24	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	83%	0.828	S	S	*	*			trans	-50.3	170	-177.7	-36	0	0	0	0	118
1130	P	27.1	Very low	23.9	Very low	128 Å²	128	141.8 Å²	141.8	83%	0.831	83%	0.832	S	S	*	*				-148.3	166.9	92.4	36.5	-17.4	0	0	0	117.2
1131	C	21.3	Very low	24	Very low	124 Å²	124	143.8 Å²	143.8	84%	0.838	84%	0.84	S	S	*	*			trans	-71.3	151.3	175.8	-64.3	0	0	0	0	113.8
1132	V	23.8	Very low	23.9	Very low	148 Å²	148	142.1 Å²	142.1	90%	0.897	84%	0.835	S	S	*	*			trans	-138.7	140.5	156	178.3	0	0	0	0	109.2
1133	L	24.1	Very low	24	Very low	172 Å²	172	144 Å²	144	90%	0.901	83%	0.83	S	S	*	*			trans	-88.2	154.6	-178.5	-106.1	106.9	0	0	0	113.2
1134	G	22.4	Very low	24.1	Very low	71 Å²	71	139.1 Å²	139.1	73%	0.732	81%	0.813	S	S	*	*			trans	97.3	136.3	161.5	0	0	0	0	0	113.5
1135	E	23	Very low	24.4	Very low	198 Å²	198	137.9 Å²	137.9	93%	0.925	80%	0.796	S	S	*	*			cis	-152.8	170.2	21.4	-76.5	178.8	140.4	0	0	110.6
1136	V	28.7	Very low	25	Very low	140 Å²	140	133.9 Å²	133.9	85%	0.848	77%	0.767	S	S	*	*			trans	-76.8	124.7	178.2	173.5	0	0	0	0	109.9
1137	E	23.4	Very low	25.7	Very low	187 Å²	187	131 Å²	131	87%	0.874	74%	0.743	S	S	*	*			trans	-137.3	138.9	158	-74.1	-167.8	154.1	0	0	109.8	E1139	E1137-E1139 PolarHBondContact O-N 3.18Å
1138	D	26	Very low	26.3	Very low	158 Å²	158	125.3 Å²	125.3	85%	0.845	71%	0.712	S	S	*	*			trans	-54.5	122.7	-175.8	-70.3	-59.9	0	0	0	112.4	D1140	D1138-D1140 PolarHBondContact O-N 3.19Å
1139	E	24	Very low	26.6	Very low	190 Å²	190	120.1 Å²	120.1	89%	0.888	68%	0.678	S	S	*	*			trans	-83.7	107.6	166.5	-80.8	-162	160.9	0	0	110.1	E1137 V1141	E1137-E1139 PolarHBondContact O-N 3.18Å; E1139-V1141 PolarHBondContact O-N 2.89Å
1140	D	22.9	Very low	27	Very low	148 Å²	148	119.8 Å²	119.8	79%	0.791	66%	0.664	S	S	*	*			trans	-51.9	122.9	156.5	-80.2	-43.2	0	0	0	109.9	D1138 V1142	D1138-D1140 PolarHBondContact O-N 3.19Å; D1140-V1142 PolarHBondContact O-N 3.12Å
1141	V	24.4	Very low	27.3	Very low	141 Å²	141	114.4 Å²	114.4	86%	0.855	63%	0.631	S	S	*	*			trans	-66.5	100.1	174.4	177.1	0	0	0	0	108.7	E1139 E1143	E1139-V1141 PolarHBondContact O-N 2.89Å; V1141-E1143 PolarHBondContact O-N 3.29Å
1142	V	22.5	Very low	27.9	Very low	120 Å²	120	109.1 Å²	109.1	73%	0.727	59%	0.594	S	S	*	*			trans	-78.9	101.9	173.5	173.3	0	0	0	0	109.2	D1140 V1144	D1140-V1142 PolarHBondContact O-N 3.12Å; V1142-V1144 HydrophobicContact CG1-CG2 3.59Å; V1142-V1144 PolarHBondContact O-N 3.03Å
1143	E	25	Very low	28.2	Very low	162 Å²	162	102.2 Å²	102.2	76%	0.757	55%	0.553	S	S	*	*			trans	-81.1	105.3	175.4	-146.1	174.1	-154.6	0	0	109.4	V1141	V1141-E1143 PolarHBondContact O-N 3.29Å
1144	V	25.4	Very low	28.6	Very low	87 Å²	87	95.3 Å²	95.3	53%	0.527	52%	0.521	S	S	.	.			trans	-126.1	130.6	178.9	171.2	0	0	0	0	110.1	V1142	V1142-V1144 HydrophobicContact CG1-CG2 3.59Å; V1142-V1144 PolarHBondContact O-N 3.03Å
1145	T	29.1	Very low	29.1	Very low	63 Å²	63	92.8 Å²	92.8	39%	0.387	49%	0.49	S	S	.	.			trans	84.1	81.1	170	64.1	0	0	0	0	118.7
1146	H	35.6	Very low	29.4	Very low	68 Å²	68	83.9 Å²	83.9	32%	0.315	45%	0.45	S	S	.	.			trans	-116.6	-5.2	176.2	-100.5	-82.5	0	0	0	115.7	S1014 Q1148 E1150	S1014-H1146 PolarHBondContact O-CE1 3.26Å; H1146-Q1148 PolarHBondContact O-N 3.13Å; H1146-E1150 HydrophobicContact CB-CG 4.26Å; H1146-E1150 VanDerWaalsContact O-CB 3.31Å; H1146-E1150 WeakPolarHBondContact O-CB 3.2Å; H1146-E1150 WeakPolarHBondContact O-CG 3.49Å; H1146-E1150 PolarHBondContact O-N 3.35Å
1147	I	36.7	Very low	29.3	Very low	57 Å²	57	78.5 Å²	78.5	29%	0.292	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-35.3	-153.7	-60.7	135.5	0	0	0	115.1	T408 V412 F449 A1151	T408-I1147 HydrophobicContact CG2-CG2 3.99Å; V412-I1147 HydrophobicContact CG2-CG2 3.96Å; F449-I1147 HydrophobicContact CD2-CD1 3.46Å; F449-I1147 VanDerWaalsContact CD2-CD1 3.46Å; F449-I1147 HydrophobicContact CD2-CG1 3.93Å; F449-I1147 HydrophobicContact CD2-CG2 4.25Å; F449-I1147 HydrophobicContact CE2-CD1 3.94Å; I1147-A1151 PolarHBondContact O-N 3.43Å
1148	Q	33.9	Very low	29.5	Very low	45 Å²	45	72.5 Å²	72.5	21%	0.21	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-29.8	-177.1	-134.6	-178.2	21	0	0	112.4	N881 S927 H1146 A1151	N881-Q1148 WeakPolarHBondContact ND2-CB 3.45Å; N881-Q1148 PolarHBondContact ND2-OE1 3.05Å; N881-Q1148 PolarHBondContact OD1-NE2 2.92Å; N881-Q1148 PolarHBondContact OD1-OE1 3.25Å; S927-Q1148 PolarHBondContact OG-OE1 3.27Å; H1146-Q1148 PolarHBondContact O-N 3.13Å; Q1148-A1151 VanDerWaalsContact O-CB 3.24Å; Q1148-A1151 WeakPolarHBondContact O-CB 3.46Å; Q1148-A1151 PolarHBondContact O-N 3.39Å
1149	I	34.9	Very low	29.3	Very low	4 Å²	4	66.7 Å²	66.7	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-86	-28.8	175.9	-56.6	112.6	0	0	0	111	P878 R979 A1151 V1152 A1153	P878-I1149 HydrophobicContact CB-CD1 4.33Å; P878-I1149 HydrophobicContact CG-CD1 4.49Å; R979-I1149 VanDerWaalsContact NH2-CB 3.29Å; R979-I1149 VanDerWaalsContact NH2-CG2 3.33Å; I1149-A1151 PolarHBondContact O-N 3.34Å; I1149-V1152 CarbonylContact O-C 3.48Å; I1149-V1152 PolarHBondContact O-N 3.02Å; I1149-A1153 WeakPolarHBondContact O-CB 3.42Å; I1149-A1153 PolarHBondContact O-N 3.3Å
1150	E	31.9	Very low	29.5	Very low	104 Å²	104	67.4 Å²	67.4	49%	0.486	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-17.5	161.5	-82.9	-174.2	160.9	0	0	113.2	H1146 A1154	H1146-E1150 HydrophobicContact CB-CG 4.26Å; H1146-E1150 VanDerWaalsContact O-CB 3.31Å; H1146-E1150 WeakPolarHBondContact O-CB 3.2Å; H1146-E1150 WeakPolarHBondContact O-CG 3.49Å; H1146-E1150 PolarHBondContact O-N 3.35Å; E1150-A1154 WeakPolarHBondContact O-CA 3.24Å; E1150-A1154 WeakPolarHBondContact O-CB 3.4Å; E1150-A1154 PolarHBondContact O-N 3.1Å
1151	A	34	Very low	29.9	Very low	16 Å²	16	63.4 Å²	63.4	13%	0.132	36%	0.363	C	S	.	.	H	α-helix	trans	-71.2	-45.3	167.8	0	0	0	0	0	111.4	N411 I1147 Q1148 I1149 A1153 I1155	N411-A1151 WeakPolarHBondContact ND2-CB 3.46Å; I1147-A1151 PolarHBondContact O-N 3.43Å; Q1148-A1151 VanDerWaalsContact O-CB 3.24Å; Q1148-A1151 WeakPolarHBondContact O-CB 3.46Å; Q1148-A1151 PolarHBondContact O-N 3.39Å; I1149-A1151 PolarHBondContact O-N 3.34Å; A1151-A1153 VanDerWaalsContact C-N 3.27Å; A1151-A1153 PolarHBondContact O-N 3.19Å; A1151-I1155 VanDerWaalsContact O-CB 3.28Å; A1151-I1155 WeakPolarHBondContact O-CB 3.27Å; A1151-I1155 WeakPolarHBondContact O-CD1 3.38Å; A1151-I1155 WeakPolarHBondContact O-CG1 3.5Å; A1151-I1155 PolarHBondContact O-N 3.2Å
1152	V	34	Very low	30.2	Very low	12 Å²	12	59.3 Å²	59.3	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-68.3	-32.3	175.6	-165.7	0	0	0	0	110.8	F874 I925 S1010 I1149 A1156	F874-V1152 HydrophobicContact CD1-CG1 4.13Å; F874-V1152 HydrophobicContact CE1-CG1 3.71Å; I925-V1152 HydrophobicContact CG2-CG2 4.35Å; S1010-V1152 VanDerWaalsContact OG-CG1 3.23Å; S1010-V1152 WeakPolarHBondContact OG-CG1 3.46Å; S1010-V1152 PolarHBondContact OG-O 3.38Å; I1149-V1152 CarbonylContact O-C 3.48Å; I1149-V1152 PolarHBondContact O-N 3.02Å; V1152-A1156 WeakPolarHBondContact O-CB 3.47Å; V1152-A1156 PolarHBondContact O-N 3.43Å
1153	A	30.9	Very low	30.6	Very low	3 Å²	3	55.9 Å²	55.9	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-77.8	-43.9	175.6	0	0	0	0	0	112.4	R1011 I1149 A1151 I1155 A1156 D1157	R1011-A1153 VanDerWaalsContact NH1-CA 3.33Å; R1011-A1153 PolarHBondContact NH1-O 3.17Å; R1011-A1153 VanDerWaalsContact NH1-O 3.13Å; R1011-A1153 PolarHBondContact NH2-O 3.43Å; I1149-A1153 WeakPolarHBondContact O-CB 3.42Å; I1149-A1153 PolarHBondContact O-N 3.3Å; A1151-A1153 VanDerWaalsContact C-N 3.27Å; A1151-A1153 PolarHBondContact O-N 3.19Å; A1153-I1155 PolarHBondContact O-N 3.49Å; A1153-A1156 CarbonylContact O-C 3.52Å; A1153-A1156 PolarHBondContact O-N 3.34Å; A1153-D1157 WeakPolarHBondContact O-CB 3.43Å; A1153-D1157 PolarHBondContact O-N 3.38Å; A1153-D1157 VanDerWaalsContact O-N 3.13Å; A1153-D1157 VanDerWaalsContact O-OD2 3.13Å
1154	A	31.3	Very low	30.9	Very low	27 Å²	27	49.6 Å²	49.6	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-31.5	175.4	0	0	0	0	0	111.5	E1150 A1156 D1157	E1150-A1154 WeakPolarHBondContact O-CA 3.24Å; E1150-A1154 WeakPolarHBondContact O-CB 3.4Å; E1150-A1154 PolarHBondContact O-N 3.1Å; A1154-A1156 VanDerWaalsContact C-N 3.35Å; A1154-D1157 WeakPolarHBondContact O-CB 3.46Å; A1154-D1157 PolarHBondContact O-N 2.97Å
1155	I	33.8	Very low	31.3	Very low	19 Å²	19	47.3 Å²	47.3	10%	0.097	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.6	176.1	-64.8	169.8	0	0	0	112.8	L334 D336 C337 A1151 A1153	L334-I1155 HydrophobicContact CB-CD1 3.92Å; L334-I1155 HydrophobicContact CB-CG2 4.1Å; L334-I1155 HydrophobicContact CD1-CD1 3.95Å; L334-I1155 WeakPolarHBondContact O-CG2 3.24Å; D336-I1155 VanDerWaalsContact OD1-O 3.08Å; C337-I1155 HydrophobicContact CB-CD1 4.14Å; C337-I1155 HydrophobicContact CB-CG1 3.99Å; C337-I1155 HydrophobicContact CB-CG2 4.33Å; A1151-I1155 VanDerWaalsContact O-CB 3.28Å; A1151-I1155 WeakPolarHBondContact O-CB 3.27Å; A1151-I1155 WeakPolarHBondContact O-CD1 3.38Å; A1151-I1155 WeakPolarHBondContact O-CG1 3.5Å; A1151-I1155 PolarHBondContact O-N 3.2Å; A1153-I1155 PolarHBondContact O-N 3.49Å
1156	A	29.3	Very low	31.4	Very low	10 Å²	10	46.3 Å²	46.3	8%	0.083	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	9.7	172.5	0	0	0	0	0	112.3	N1007 R1011 V1152 A1153 A1154	N1007-A1156 HydrophobicContact CB-CB 3.93Å; R1011-A1156 PolarHBondContact NH2-O 3.09Å; V1152-A1156 WeakPolarHBondContact O-CB 3.47Å; V1152-A1156 PolarHBondContact O-N 3.43Å; A1153-A1156 CarbonylContact O-C 3.52Å; A1153-A1156 PolarHBondContact O-N 3.34Å; A1154-A1156 VanDerWaalsContact C-N 3.35Å
1157	D	26.5	Very low	31.1	Very low	28 Å²	28	44.7 Å²	44.7	15%	0.15	26%	0.264	C	S	.	.			trans	-104.2	88	-163.4	-104.4	-28.7	0	0	0	114.1	R1011 K1046 A1153 A1154	R1011-D1157 IonicContact CZ-OD1 3.97Å; R1011-D1157 IonicContact CZ-OD2 2.7Å; R1011-D1157 IonicContact NE-OD1 3.8Å; R1011-D1157 IonicContact NH1-OD1 2.87Å; R1011-D1157 PolarHBondContact NH1-OD1 2.96Å; R1011-D1157 IonicContact NH1-OD2 3.65Å; R1011-D1157 PolarHBondContact NH1-OD2 2.62Å; R1011-D1157 VanDerWaalsContact NH2-CA 3.26Å; R1011-D1157 VanDerWaalsContact NH2-N 3.11Å; R1011-D1157 IonicContact NH2-OD1 3.45Å; R1011-D1157 PolarHBondContact NH2-OD1 3.39Å; R1011-D1157 IonicContact NH2-OD2 2.81Å; R1011-D1157 PolarHBondContact NH2-OD2 3.46Å; K1046-D1157 WeakPolarHBondContact CB-OD1 3.44Å; K1046-D1157 HydrophobicContact CD-CB 4.3Å; K1046-D1157 WeakPolarHBondContact CD-OD1 3.49Å; K1046-D1157 VanDerWaalsContact CD-OD2 3.28Å; K1046-D1157 WeakPolarHBondContact CD-OD2 3.28Å; K1046-D1157 WeakPolarHBondContact CE-OD1 3.5Å; K1046-D1157 VanDerWaalsContact CE-OD2 3.23Å; K1046-D1157 WeakPolarHBondContact CE-OD2 3.5Å; K1046-D1157 WeakPolarHBondContact CG-OD1 3.49Å; K1046-D1157 IonicContact NZ-OD1 2.63Å; K1046-D1157 IonicContact NZ-OD2 2.79Å; K1046-D1157 PolarHBondContact NZ-OD2 2.65Å; A1153-D1157 WeakPolarHBondContact O-CB 3.43Å; A1153-D1157 PolarHBondContact O-N 3.38Å; A1153-D1157 VanDerWaalsContact O-N 3.13Å; A1153-D1157 VanDerWaalsContact O-OD2 3.13Å; A1154-D1157 WeakPolarHBondContact O-CB 3.46Å; A1154-D1157 PolarHBondContact O-N 2.97Å
1158	V	26.5	Very low	30.7	Very low	61 Å²	61	43.8 Å²	43.8	37%	0.37	26%	0.262	S	S	.	.			trans	-140.9	92.7	145.8	-174.3	0	0	0	0	109.4	T297	T297-V1158 WeakPolarHBondContact OG1-CB 3Å; T297-V1158 VanDerWaalsContact OG1-CG2 3.31Å; T297-V1158 WeakPolarHBondContact OG1-CG2 3.01Å
1159	A	23.3	Very low	30.4	Very low	36 Å²	36	43.7 Å²	43.7	30%	0.298	27%	0.266	S	S	.	.				-164.6	100.9	121.2	0	0	0	0	0	110.1	G1047	G1047-A1159 WeakPolarHBondContact CA-O 3.36Å; G1047-A1159 PolarHBondContact N-O 3.01Å; G1047-A1159 WeakPolarHBondContact O-CB 3.29Å
1160	V	28.4	Very low	30	Very low	204 Å²	204	47.3 Å²	47.3	100%	1.236	29%	0.288	S	S	*	.				-147.1	0	98.4	167.1	0	0	0	0	105.1

Retrieved 1,160 of 1,160 residues in 1254.8 ms (Link to these results)

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