A0A5K4F0P8_SCHMA Loading...

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase

AlphaFold DB , UniProt , Accession A0A5K4F0P8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,210 aa.

						>A0A5K4F0P8_SCHMA|A0A5K4F0P8
MTSDIAKRQRTVPSAKAFEFIWKRPVPEVLQTGEHFDRYDEETGILEPNCFVRVDKDGFFIYWQSENNDSQQLELSQISDVRSGAKPKDEKLTAQIQEKSGKSWDRIVTICSGLDLVNINYTHMVAKDAETASFWIQSLRSLTHNTKAANVCPMTQLRKHWLRLTLTLNARNRIPVRVIMKTFASGRNERIVYQSLKDLNLPHGKNDDIDPNEFPFEKFYELYHKICPRTDIEDLFKSLSNGKSHIHADKMIEFLNETQRDPRLNEILYPFANKQTIKYIQENYETQEEFKNTDEVSIECFYRYLMSDDNACVFLDKLDIYQDMDQPLSHYYINSSHNTYLIGRQFGGKSSVEMYRQVLLAGCRCIELDCWDGRGEDQEPIITHGKAMCTDILFKDVIYAIRDTAFVASDCPVIMSFENHCSKHQQYKLAKYCEEILGDMLLTKPLDNYALEPGVALPPPEKLKRKILIKNKRLKPEAEKQQLDLFLKGQTDAIQEENEVTEDPDLTIDRDDGDGCSANKANNGEITATTTTTTGSGGGGDTVIPLNTTPTPQLVSCTSSAELKRLQLKKEEGNLTAEEEQIMMAHYHYTGATSSIHPLLSSFVNYAQPVKFQGFDVAEDENIHHHMSSFSETVALGLLKNQAIEFVNYNKRQMSRIYPRGNRVDSSNYMPQIFWNAGCQMVALNFQTPDLAMQLNQGKFEYNGNCGYLLKPEFMRRPERQFDPFSESPMDGVIAATCEVKIISGQFLSDRKVGTYVEVDMYGLPTDTIRKEFRTRVVPNNGLNPVYGDDAVFVFRKVVLPDLAVLRFAVYEDTGKLIGQRVLPLDGLQAGYRHISLRTEGNFPLSLPTLFCQVSLTTYVPEGLNDLVDALSDPRAFLSKEEQRMKQLASMGIDSSEIADVPSTGGGGNAKRVGGGAGGGSSGGLGGTSGQLSGSVMSNISGSGETSNVSLNSTKKDEKKDDPKFDPISITLLQTDKMYQKLIKKQAKELEILQKRQEKDAVSMLRNHTIITDKLNTSHAKERSSTKRTVNKENGQNAALQDTHHNQMCELVRQHTDQWSSLKSTQMKEVYELVLSFFDSRKELLIKIMKEVQEEQKRELRIIQDREVKEMKAQQTKASIESNRSVMNDRKLRNKAERDRRIRELNDYNTKRFIDQRKLQAQRHDKQTQELNKHHTLDEQEIINGIKKEREEFIRKYEEDLLALKRATVI
					

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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	29.8	Very low	33.2	Very low	231 Å²	231	131.8 Å²	131.8	100%	1.138	68%	0.681	S	S	*	*				0	43.9	0	-72.6	179	170	0	0	111.2
2	T	28.8	Very low	33.1	Very low	151 Å²	151	123.8 Å²	123.8	93%	0.926	64%	0.642	S	S	*	*			trans	-98.7	16.8	-171	31.1	0	0	0	0	114.4
3	S	31.8	Very low	33.3	Very low	86 Å²	86	120.8 Å²	120.8	60%	0.601	64%	0.635	S	S	*	*	S	Bend	trans	-113.9	-3.7	-173.4	68.9	0	0	0	0	116.9
4	D	34.6	Very low	33.6	Very low	115 Å²	115	120.7 Å²	120.7	62%	0.615	65%	0.65	S	S	*	*	S	Bend	trans	-101.9	-13.2	-172.5	-75.2	-30.5	0	0	0	115.5	A6	D4-A6 VanDerWaalsContact C-N 3.32Å; D4-A6 PolarHBondContact O-N 3.02Å
5	I	35.6	Very low	34	Very low	143 Å²	143	114.9 Å²	114.9	73%	0.733	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-72.4	-25.6	179	-65.2	173.7	0	0	0	111.9	K7	I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 3.4Å
6	A	34.2	Very low	34.8	Very low	90 Å²	90	119.1 Å²	119.1	74%	0.744	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-79.8	0.3	-177.4	0	0	0	0	0	115.2	D4	D4-A6 VanDerWaalsContact C-N 3.32Å; D4-A6 PolarHBondContact O-N 3.02Å
7	K	32.2	Very low	36.2	Very low	154 Å²	154	116.1 Å²	116.1	67%	0.67	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-102.6	-1.2	-171.4	-82.9	-177.8	-179.7	170.3	0	116.5	I5	I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 3.4Å
8	R	35.3	Very low	38.1	Very low	216 Å²	216	114 Å²	114	82%	0.815	62%	0.616	S	S	*	*	S	Bend	trans	-114.5	-8.9	-171.1	-74.2	-171	178.4	-173.8	1.2	117.3
9	Q	33.9	Very low	40.2	Very low	92 Å²	92	115.9 Å²	115.9	43%	0.43	62%	0.62	S	S	.	*			trans	-94.2	117	179.4	-74	177.5	-18	0	0	110.2	Y269	Q9-Y269 PolarHBondContact OE1-OH 3.31Å
10	R	35.9	Very low	42.6	Very low	98 Å²	98	111.4 Å²	111.4	37%	0.37	60%	0.595	S	S	.	*			trans	-142.4	122	-167.8	-70.6	178.1	172.7	168.9	-5.1	110.7	A15 K16	R10-A15 WeakPolarHBondContact CD-O 3.46Å; R10-A15 HydrophobicContact CG-CB 3.88Å; R10-K16 WeakPolarHBondContact CD-O 3.43Å; R10-K16 PolarHBondContact NH1-O 3.1Å
11	T	33.3	Very low	44.9	Very low	74 Å²	74	110.9 Å²	110.9	45%	0.454	59%	0.591	S	S	.	*			trans	-147	76.7	149.1	51.4	0	0	0	0	109.4	Y269 P270	T11-Y269 WeakPolarHBondContact OG1-CD1 3.5Å; T11-P270 WeakPolarHBondContact O-CD 3.33Å
12	V	31.4	Very low	47.9	Very low	35 Å²	35	100.9 Å²	100.9	21%	0.212	54%	0.541	C	S	.	.	B	Isolated β-bridge	trans	-160	145.5	149.4	146.7	0	0	0	0	110.6	S14 A15 P270	V12-S14 PolarHBondContact O-N 3.2Å; V12-A15 PolarHBondContact O-N 3.09Å; V12-A15 VanDerWaalsContact O-N 3.12Å; V12-P270 HydrophobicContact CB-CB 4.01Å; V12-P270 HydrophobicContact CB-CG 3.58Å; V12-P270 HydrophobicContact CG1-CB 4.36Å; V12-P270 HydrophobicContact CG1-CG 4.07Å; V12-P270 HydrophobicContact CG2-CB 3.31Å; V12-P270 HydrophobicContact CG2-CG 3.45Å; V12-P270 VanDerWaalsContact CG2-CG 3.45Å; V12-P270 WeakPolarHBondContact CG2-O 3.48Å
13	P	36.2	Very low	50.9	Low	85 Å²	85	98 Å²	98	55%	0.552	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	3.9	-168.2	15.7	-30.5	0	0	0	118.5	Q275	P13-Q275 HydrophobicContact CB-CG 4.29Å; P13-Q275 HydrophobicContact CG-CB 4.27Å; P13-Q275 HydrophobicContact CG-CG 3.98Å
14	S	37.6	Very low	53.8	Low	120 Å²	120	98.2 Å²	98.2	84%	0.839	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13	170.1	69.5	0	0	0	0	113.6	V12	V12-S14 PolarHBondContact O-N 3.2Å
15	A	39.3	Very low	56.6	Low	34 Å²	34	98.5 Å²	98.5	28%	0.281	51%	0.511	S	S	.	.	B	Isolated β-bridge	trans	-132.4	115.6	176.8	0	0	0	0	0	109.1	R10 V12 A17	R10-A15 WeakPolarHBondContact CD-O 3.46Å; R10-A15 HydrophobicContact CG-CB 3.88Å; V12-A15 PolarHBondContact O-N 3.09Å; V12-A15 VanDerWaalsContact O-N 3.12Å; A15-A17 PolarHBondContact O-N 3.41Å; A15-A17 VanDerWaalsContact O-N 3.12Å
16	K	46.2	Very low	59.5	Low	181 Å²	181	92.2 Å²	92.2	79%	0.787	48%	0.479	S	S	*	.			trans	-23.7	107.8	-177.6	-115.5	-175.9	-178.3	-169.7	0	112.4	R10	R10-K16 WeakPolarHBondContact CD-O 3.43Å; R10-K16 PolarHBondContact NH1-O 3.1Å
17	A	58.9	Low	62.5	Low	69 Å²	69	89.8 Å²	89.8	57%	0.57	46%	0.456	S	S	*	.			trans	-45.3	142.9	177.8	0	0	0	0	0	111.1	A15 E19	A15-A17 PolarHBondContact O-N 3.41Å; A15-A17 VanDerWaalsContact O-N 3.12Å; A17-E19 PolarHBondContact O-N 2.66Å
18	F	70.7	Confident	65.5	Low	78 Å²	78	89.7 Å²	89.7	34%	0.342	46%	0.458	S	S	.	.			trans	-62.1	110.7	172.8	175.8	-96.9	0	0	0	108.4	F20 L315 D316	F18-F20 HydrophobicContact CE1-CB 4.05Å; F18-F20 HydrophobicContact CE1-CD2 4.12Å; F18-L315 HydrophobicContact CE1-CB 3.79Å; F18-D316 HydrophobicContact CD2-CB 3.81Å; F18-D316 HydrophobicContact CE1-CB 4.2Å; F18-D316 HydrophobicContact CE2-CB 3.44Å; F18-D316 VanDerWaalsContact CE2-CB 3.44Å; F18-D316 HydrophobicContact CG-CB 4.33Å; F18-D316 HydrophobicContact CZ-CB 3.67Å
19	E	78.7	Confident	68.3	Low	151 Å²	151	82.1 Å²	82.1	71%	0.706	44%	0.436	S	S	*	.			trans	-90	110.8	179.8	-167.4	177.5	-179.7	0	0	108.3	A17 I21	A17-E19 PolarHBondContact O-N 2.66Å; E19-I21 VanDerWaalsContact C-N 3.27Å; E19-I21 HydrophobicContact CB-CG1 4.33Å; E19-I21 HydrophobicContact CG-CD1 4.42Å; E19-I21 HydrophobicContact CG-CG1 3.9Å; E19-I21 PolarHBondContact O-N 3.16Å
20	F	87.9	Confident	71.3	Confident	25 Å²	25	77.8 Å²	77.8	11%	0.11	42%	0.415	C	S	.	.			trans	-75.5	80.3	179	-177	-122	0	0	0	111.2	F18 W22 K147 D308 L315 L318	F18-F20 HydrophobicContact CE1-CB 4.05Å; F18-F20 HydrophobicContact CE1-CD2 4.12Å; F20-W22 HydrophobicContact CD1-CB 4.29Å; F20-W22 AromaticContact CD1-CD1 3.8Å; F20-W22 HydrophobicContact CD1-CG 4.43Å; F20-W22 HydrophobicContact CE1-CB 3.84Å; F20-W22 AromaticContact CE1-CD1 3.89Å; F20-W22 HydrophobicContact CE1-CG 4.17Å; F20-W22 HydrophobicContact CZ-CB 4.07Å; F20-W22 PolarHBondContact O-N 2.94Å; F20-W22 VanDerWaalsContact O-N 3.1Å; F20-K147 HydrophobicContact CE2-CB 3.86Å; F20-K147 HydrophobicContact CE2-CD 4.1Å; F20-K147 HydrophobicContact CE2-CG 3.9Å; F20-K147 HydrophobicContact CZ-CB 3.85Å; F20-K147 HydrophobicContact CZ-CG 4.38Å; F20-K147 WeakPolarHBondContact CZ-O 3.41Å; F20-D308 HydrophobicContact CD1-CB 4.22Å; F20-L315 HydrophobicContact CB-CD1 3.87Å; F20-L315 HydrophobicContact CD1-CD1 3.68Å; F20-L315 HydrophobicContact CD2-CB 3.67Å; F20-L315 HydrophobicContact CD2-CD1 3.99Å; F20-L315 HydrophobicContact CD2-CG 4.3Å; F20-L315 HydrophobicContact CE1-CD1 4.14Å; F20-L315 HydrophobicContact CE1-CD2 4.47Å; F20-L315 HydrophobicContact CE2-CB 4Å; F20-L315 HydrophobicContact CE2-CD1 4.42Å; F20-L315 HydrophobicContact CE2-CD2 4.28Å; F20-L315 HydrophobicContact CE2-CG 4.47Å; F20-L315 HydrophobicContact CG-CB 4.11Å; F20-L315 HydrophobicContact CG-CD1 3.58Å; F20-L315 HydrophobicContact CG-CG 4.38Å; F20-L315 HydrophobicContact CZ-CD1 4.47Å; F20-L315 HydrophobicContact CZ-CD2 4.21Å; F20-L318 HydrophobicContact CE2-CD1 4.01Å; F20-L318 HydrophobicContact CZ-CD1 4.13Å
21	I	90.5	Very high	74.2	Confident	101 Å²	101	76.9 Å²	76.9	52%	0.518	42%	0.415	S	S	.	.			trans	-79.9	94.1	177.4	-54.2	173.7	0	0	0	108.9	E19 K147	E19-I21 VanDerWaalsContact C-N 3.27Å; E19-I21 HydrophobicContact CB-CG1 4.33Å; E19-I21 HydrophobicContact CG-CD1 4.42Å; E19-I21 HydrophobicContact CG-CG1 3.9Å; E19-I21 PolarHBondContact O-N 3.16Å; I21-K147 VanDerWaalsContact O-CD 3.25Å; I21-K147 WeakPolarHBondContact O-CD 3.41Å
22	W	92.6	Very high	77.2	Confident	20 Å²	20	77.4 Å²	77.4	8%	0.076	42%	0.418	C	S	.	.			trans	-94.7	-22.1	176	63.1	-96.9	0	0	0	113.5	F20 R24 D57 F59 N145 K147 A148 V151 T155	F20-W22 HydrophobicContact CD1-CB 4.29Å; F20-W22 AromaticContact CD1-CD1 3.8Å; F20-W22 HydrophobicContact CD1-CG 4.43Å; F20-W22 HydrophobicContact CE1-CB 3.84Å; F20-W22 AromaticContact CE1-CD1 3.89Å; F20-W22 HydrophobicContact CE1-CG 4.17Å; F20-W22 HydrophobicContact CZ-CB 4.07Å; F20-W22 PolarHBondContact O-N 2.94Å; F20-W22 VanDerWaalsContact O-N 3.1Å; W22-R24 PolarHBondContact O-N 2.86Å; W22-D57 HydrophobicContact CH2-CB 4.2Å; W22-F59 HydrophobicContact CE3-CE1 4.38Å; W22-F59 HydrophobicContact CE3-CZ 4.38Å; W22-F59 AromaticContact CH2-CE1 3.87Å; W22-F59 HydrophobicContact CH2-CE1 3.87Å; W22-F59 AromaticContact CH2-CE2 3.64Å; W22-F59 HydrophobicContact CH2-CE2 3.64Å; W22-F59 AromaticContact CH2-CZ 3.12Å; W22-F59 HydrophobicContact CH2-CZ 3.12Å; W22-F59 HydrophobicContact CZ2-CZ 4.07Å; W22-F59 HydrophobicContact CZ3-CD1 4.46Å; W22-F59 AromaticContact CZ3-CE1 3.53Å; W22-F59 HydrophobicContact CZ3-CE1 3.53Å; W22-F59 HydrophobicContact CZ3-CE2 4.09Å; W22-F59 AromaticContact CZ3-CZ 3.32Å; W22-F59 HydrophobicContact CZ3-CZ 3.32Å; W22-N145 PolarHBondContact O-ND2 3.45Å; W22-K147 HydrophobicContact CB-CB 3.72Å; W22-A148 HydrophobicContact CE3-CB 3.99Å; W22-V151 HydrophobicContact CB-CG1 4.15Å; W22-V151 HydrophobicContact CD2-CG1 3.46Å; W22-V151 VanDerWaalsContact CD2-CG1 3.46Å; W22-V151 HydrophobicContact CE3-CG1 3.86Å; W22-V151 HydrophobicContact CG-CG1 3.6Å; W22-V151 HydrophobicContact CZ2-CG1 4.35Å; W22-V151 HydrophobicContact CZ3-CG1 4.47Å; W22-T155 HydrophobicContact CH2-CG2 4Å; W22-T155 HydrophobicContact CZ2-CG2 3.56Å
23	K	92.6	Very high	80.3	Confident	91 Å²	91	76.4 Å²	76.4	40%	0.396	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-74.7	126.1	-179.5	-65.7	-174.4	-174.7	-169.1	0	110.5	D57	K23-D57 VanDerWaalsContact CE-OD1 3.31Å; K23-D57 WeakPolarHBondContact CE-OD1 3.5Å; K23-D57 IonicContact NZ-OD1 3.03Å; K23-D57 PolarHBondContact NZ-OD1 3.48Å
24	R	92.9	Very high	83.1	Confident	91 Å²	91	74.5 Å²	74.5	34%	0.343	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-92.1	135.3	165	-69.2	-174.9	-174.8	172.9	6.4	108.5	W22 V26 S141 L142 T143 H144	W22-R24 PolarHBondContact O-N 2.86Å; R24-V26 PolarHBondContact O-N 3.07Å; R24-V26 VanDerWaalsContact O-N 3.17Å; R24-S141 WeakPolarHBondContact CD-O 3.33Å; R24-S141 PolarHBondContact NH1-O 2.92Å; R24-L142 HydrophobicContact CB-CD2 3.9Å; R24-T143 PolarHBondContact NH1-O 3.36Å; R24-H144 PolarHBondContact NH2-O 3.26Å; R24-H144 VanDerWaalsContact NH2-O 3.12Å
25	P	93.5	Very high	85.9	Confident	121 Å²	121	73.2 Å²	73.2	79%	0.786	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-57.4	121	178	-23	32.6	0	0	0	110.7	P27	P25-P27 WeakPolarHBondContact O-CD 3.47Å
26	V	96.1	Very high	88.6	Confident	11 Å²	11	71.8 Å²	71.8	7%	0.067	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-83.6	119.7	174.6	-177.8	0	0	0	0	108	R24 E28 L30 Q31 V54 L142	R24-V26 PolarHBondContact O-N 3.07Å; R24-V26 VanDerWaalsContact O-N 3.17Å; V26-E28 PolarHBondContact O-N 2.89Å; V26-L30 HydrophobicContact CG1-CB 4.12Å; V26-Q31 HydrophobicContact CB-CG 4.2Å; V26-Q31 HydrophobicContact CG1-CG 3.73Å; V26-Q31 PolarHBondContact O-NE2 3.48Å; V26-V54 HydrophobicContact CG1-CB 4.09Å; V26-V54 HydrophobicContact CG1-CG1 3.85Å; V26-V54 HydrophobicContact CG2-CG1 4.47Å; V26-L142 HydrophobicContact CG1-CD1 4.17Å; V26-L142 HydrophobicContact CG2-CD1 4.15Å; V26-L142 HydrophobicContact CG2-CD2 4.09Å
27	P	95.9	Very high	90.9	Very high	39 Å²	39	64.1 Å²	64.1	25%	0.253	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-56.6	140.2	178.7	-21.4	29.6	0	0	0	111.6	P25 V29 L30 Q31 F134	P25-P27 WeakPolarHBondContact O-CD 3.47Å; P27-V29 PolarHBondContact O-N 2.84Å; P27-V29 VanDerWaalsContact O-N 3.15Å; P27-L30 HydrophobicContact CB-CD1 3.71Å; P27-L30 HydrophobicContact CG-CD1 3.78Å; P27-L30 PolarHBondContact O-N 3.25Å; P27-Q31 PolarHBondContact O-N 3.32Å; P27-F134 HydrophobicContact CB-CZ 4.36Å
28	E	95.8	Very high	92.5	Very high	152 Å²	152	63.2 Å²	63.2	71%	0.71	32%	0.316	S	S	*	.	H	α-helix	trans	-55	-38.3	-173.1	-172.4	174.1	-175.6	0	0	112.4	V26 L30 Q31 T32	V26-E28 PolarHBondContact O-N 2.89Å; E28-L30 VanDerWaalsContact C-N 3.28Å; E28-L30 PolarHBondContact O-N 2.86Å; E28-Q31 WeakPolarHBondContact O-CA 3.42Å; E28-Q31 WeakPolarHBondContact O-CB 3.43Å; E28-Q31 PolarHBondContact O-N 3.38Å; E28-T32 HydrophobicContact CG-CG2 4.25Å; E28-T32 PolarHBondContact O-N 3.49Å; E28-T32 PolarHBondContact O-OG1 3.44Å
29	V	95.2	Very high	93.6	Very high	57 Å²	57	59.8 Å²	59.8	35%	0.345	30%	0.301	S	S	.	.	H	α-helix	trans	-56.7	-37.8	177.4	179	0	0	0	0	112.6	P27 Q31 T32 G33 F134	P27-V29 PolarHBondContact O-N 2.84Å; P27-V29 VanDerWaalsContact O-N 3.15Å; V29-Q31 VanDerWaalsContact C-N 3.34Å; V29-T32 WeakPolarHBondContact CA-OG1 3.46Å; V29-T32 PolarHBondContact O-OG1 2.69Å; V29-T32 VanDerWaalsContact O-OG1 3.12Å; V29-G33 PolarHBondContact O-N 3.39Å; V29-F134 HydrophobicContact CB-CE1 3.76Å; V29-F134 HydrophobicContact CB-CZ 4.19Å; V29-F134 HydrophobicContact CG1-CD1 4.36Å; V29-F134 HydrophobicContact CG1-CE1 3.83Å; V29-F134 HydrophobicContact CG2-CE1 4.23Å; V29-F134 HydrophobicContact CG2-CZ 4.24Å
30	L	96.8	Very high	94	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-74.2	-28.8	177.4	-70.9	96.2	0	0	0	111.9	V26 P27 E28 R53 V54 F134 W135 L139	V26-L30 HydrophobicContact CG1-CB 4.12Å; P27-L30 HydrophobicContact CB-CD1 3.71Å; P27-L30 HydrophobicContact CG-CD1 3.78Å; P27-L30 PolarHBondContact O-N 3.25Å; E28-L30 VanDerWaalsContact C-N 3.28Å; E28-L30 PolarHBondContact O-N 2.86Å; L30-R53 CarbonylContact O-C 3.52Å; L30-R53 WeakPolarHBondContact O-CA 3.33Å; L30-V54 HydrophobicContact CB-CB 3.97Å; L30-V54 HydrophobicContact CB-CG2 3.95Å; L30-V54 HydrophobicContact CD2-CB 4.45Å; L30-V54 HydrophobicContact CD2-CG2 3.64Å; L30-V54 HydrophobicContact CG-CG2 4.4Å; L30-V54 PolarHBondContact O-N 3.48Å; L30-F134 HydrophobicContact CD1-CE1 4.03Å; L30-W135 HydrophobicContact CD2-CE3 4.01Å; L30-W135 HydrophobicContact CD2-CZ3 4.06Å; L30-W135 HydrophobicContact CG-CE3 4.38Å; L30-W135 HydrophobicContact CG-CH2 4.39Å; L30-W135 HydrophobicContact CG-CZ3 4.32Å; L30-L139 HydrophobicContact CD2-CD2 3.6Å; L30-L139 HydrophobicContact CD2-CG 3.84Å
31	Q	96.1	Very high	93.8	Very high	80 Å²	80	57.3 Å²	57.3	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-75.4	-43.6	177	-59.1	-175.4	48.8	0	0	111.5	V26 P27 E28 V29 G33	V26-Q31 HydrophobicContact CB-CG 4.2Å; V26-Q31 HydrophobicContact CG1-CG 3.73Å; V26-Q31 PolarHBondContact O-NE2 3.48Å; P27-Q31 PolarHBondContact O-N 3.32Å; E28-Q31 WeakPolarHBondContact O-CA 3.42Å; E28-Q31 WeakPolarHBondContact O-CB 3.43Å; E28-Q31 PolarHBondContact O-N 3.38Å; V29-Q31 VanDerWaalsContact C-N 3.34Å; Q31-G33 VanDerWaalsContact C-N 3.31Å
32	T	96.1	Very high	93.5	Very high	85 Å²	85	61.6 Å²	61.6	52%	0.521	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-36.8	175.2	55.8	0	0	0	0	111.3	E28 V29 F51	E28-T32 HydrophobicContact CG-CG2 4.25Å; E28-T32 PolarHBondContact O-N 3.49Å; E28-T32 PolarHBondContact O-OG1 3.44Å; V29-T32 WeakPolarHBondContact CA-OG1 3.46Å; V29-T32 PolarHBondContact O-OG1 2.69Å; V29-T32 VanDerWaalsContact O-OG1 3.12Å; T32-F51 WeakPolarHBondContact O-CZ 3.33Å
33	G	96.1	Very high	93.1	Very high	13 Å²	13	64.3 Å²	64.3	13%	0.134	33%	0.328	C	S	.	.			trans	89.2	165.2	176.5	0	0	0	0	0	114.7	V29 Q31 V52 R53	V29-G33 PolarHBondContact O-N 3.39Å; Q31-G33 VanDerWaalsContact C-N 3.31Å; G33-V52 CarbonylContact C-O 3.55Å; G33-V52 WeakPolarHBondContact CA-O 3.41Å; G33-R53 VanDerWaalsContact CA-CG 3.5Å
34	E	96.5	Very high	92.7	Very high	46 Å²	46	61.3 Å²	61.3	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	160	177.4	-83.1	-102.7	174.7	0	0	109.6	F36 V52 K127 W135	E34-F36 HydrophobicContact CB-CD2 4.35Å; E34-F36 HydrophobicContact CB-CE2 3.77Å; E34-V52 PolarHBondContact N-O 2.85Å; E34-V52 VanDerWaalsContact N-O 3.11Å; E34-V52 PolarHBondContact O-N 3.24Å; E34-K127 VanDerWaalsContact CD-NZ 3.3Å; E34-K127 IonicContact OE1-NZ 2.62Å; E34-K127 PolarHBondContact OE1-NZ 3.41Å; E34-K127 IonicContact OE2-NZ 3.91Å; E34-K127 PolarHBondContact OE2-NZ 2.68Å; E34-W135 HydrophobicContact CB-CZ2 3.83Å; E34-W135 HydrophobicContact CG-CZ2 4.3Å
35	H	95.8	Very high	92.4	Very high	92 Å²	92	62 Å²	62	43%	0.426	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.9	175.9	-73.8	-84.2	0	0	0	111.2	N49 C50 F51	H35-N49 VanDerWaalsContact CG-OD1 3.31Å; H35-N49 PolarHBondContact ND1-OD1 3.32Å; H35-C50 WeakPolarHBondContact CA-O 3.49Å; H35-F51 AromaticContact CD2-CD2 3.78Å; H35-F51 AromaticContact CE1-CD2 3.6Å; H35-F51 AromaticContact ND1-CD2 3.88Å; H35-F51 AromaticContact NE2-CD2 3.53Å
36	F	95.8	Very high	92.3	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.6	175.2	-71.2	-105.2	0	0	0	110.1	E34 N49 C50 V52 V108 M124 V125 A126 T131 W135	E34-F36 HydrophobicContact CB-CD2 4.35Å; E34-F36 HydrophobicContact CB-CE2 3.77Å; F36-N49 CarbonylContact O-C 3.59Å; F36-N49 PolarHBondContact O-N 3.21Å; F36-C50 PolarHBondContact N-O 2.87Å; F36-C50 WeakPolarHBondContact O-CA 3.23Å; F36-C50 WeakPolarHBondContact O-CB 3.18Å; F36-C50 PolarHBondContact O-N 2.92Å; F36-V52 HydrophobicContact CB-CG2 3.89Å; F36-V52 HydrophobicContact CD2-CB 3.88Å; F36-V52 HydrophobicContact CD2-CG2 3.55Å; F36-V52 HydrophobicContact CE2-CB 4.3Å; F36-V52 HydrophobicContact CE2-CG2 4.41Å; F36-V52 HydrophobicContact CG-CG2 3.99Å; F36-V108 HydrophobicContact CE1-CG2 4.24Å; F36-M124 HydrophobicContact CB-CB 4.13Å; F36-M124 HydrophobicContact CD1-CB 3.69Å; F36-M124 HydrophobicContact CE1-CB 4.44Å; F36-M124 HydrophobicContact CG-CB 4.16Å; F36-V125 WeakPolarHBondContact CA-O 3.35Å; F36-A126 HydrophobicContact CD1-CB 3.98Å; F36-A126 HydrophobicContact CE1-CB 3.49Å; F36-A126 VanDerWaalsContact CE1-CB 3.49Å; F36-A126 HydrophobicContact CZ-CB 4.21Å; F36-T131 HydrophobicContact CZ-CG2 4.46Å; F36-W135 AromaticContact CE2-CD2 3.9Å; F36-W135 HydrophobicContact CE2-CD2 3.9Å; F36-W135 AromaticContact CE2-CE2 3.66Å; F36-W135 HydrophobicContact CE2-CE3 4.31Å; F36-W135 HydrophobicContact CE2-CG 4.38Å; F36-W135 HydrophobicContact CE2-CH2 4.32Å; F36-W135 AromaticContact CE2-CZ2 3.9Å; F36-W135 HydrophobicContact CE2-CZ2 3.9Å; F36-W135 AromaticContact CE2-NE1 3.96Å; F36-W135 HydrophobicContact CZ-CB 4.36Å; F36-W135 AromaticContact CZ-CD1 3.8Å; F36-W135 AromaticContact CZ-CD2 3.64Å; F36-W135 HydrophobicContact CZ-CD2 3.64Å; F36-W135 AromaticContact CZ-CE2 3.77Å; F36-W135 HydrophobicContact CZ-CE3 4.22Å; F36-W135 AromaticContact CZ-CG 3.68Å; F36-W135 HydrophobicContact CZ-CG 3.68Å; F36-W135 HydrophobicContact CZ-CZ2 4.46Å; F36-W135 AromaticContact CZ-NE1 3.82Å
37	D	94	Very high	92.1	Very high	20 Å²	20	58.1 Å²	58.1	11%	0.107	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.5	160.5	-71.6	-26.8	0	0	0	108.1	L46 P48 N49 K99 M124 V125	D37-L46 HydrophobicContact CB-CD1 4.21Å; D37-P48 WeakPolarHBondContact OD1-CA 3.4Å; D37-N49 PolarHBondContact OD1-N 2.98Å; D37-K99 IonicContact OD1-NZ 3.39Å; D37-K99 PolarHBondContact OD1-NZ 2.91Å; D37-K99 VanDerWaalsContact OD1-NZ 3.1Å; D37-K99 IonicContact OD2-NZ 3.52Å; D37-K99 PolarHBondContact OD2-NZ 3.46Å; D37-M124 CarbonylContact O-C 3.51Å; D37-M124 WeakPolarHBondContact O-CA 3.27Å; D37-V125 HydrophobicContact CB-CB 4.29Å; D37-V125 PolarHBondContact N-O 3.02Å; D37-V125 VanDerWaalsContact N-O 3.09Å; D37-V125 PolarHBondContact O-N 3.31Å
38	R	93.8	Very high	91.8	Very high	51 Å²	51	59.4 Å²	59.4	19%	0.192	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.8	177.1	-172.1	-177.9	78.8	132.3	-0.3	109.6	E47 Q71 T122 H123	R38-E47 HydrophobicContact CB-CB 4.35Å; R38-E47 IonicContact CZ-OE2 3.74Å; R38-E47 VanDerWaalsContact CZ-OE2 3.29Å; R38-E47 PolarHBondContact N-O 3.44Å; R38-E47 IonicContact NE-OE2 2.72Å; R38-E47 PolarHBondContact NE-OE2 2.9Å; R38-E47 IonicContact NH2-OE2 2.69Å; R38-E47 PolarHBondContact NH2-OE2 3.06Å; R38-E47 PolarHBondContact O-N 2.9Å; R38-Q71 VanDerWaalsContact CZ-OE1 3.24Å; R38-T122 HydrophobicContact CG-CG2 4.41Å; R38-H123 WeakPolarHBondContact CA-O 3.46Å; R38-H123 WeakPolarHBondContact CG-O 3.38Å
39	Y	91.9	Very high	91.7	Very high	6 Å²	6	56.3 Å²	56.3	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.6	169.6	72.1	-96.3	0	0	0	112.4	E41 I45 P87 L92 I96 I107 H123 V125	Y39-E41 HydrophobicContact CE2-CB 4.4Å; Y39-I45 WeakPolarHBondContact CA-O 3.48Å; Y39-P87 HydrophobicContact CE1-CG 4.28Å; Y39-P87 HydrophobicContact CE2-CB 4.33Å; Y39-P87 HydrophobicContact CE2-CG 4.1Å; Y39-L92 HydrophobicContact CD2-CD2 3.25Å; Y39-L92 HydrophobicContact CD2-CG 4.45Å; Y39-L92 HydrophobicContact CE2-CD2 3.87Å; Y39-L92 HydrophobicContact CG-CD2 3.63Å; Y39-L92 HydrophobicContact CG-CG 4.43Å; Y39-I96 HydrophobicContact CD1-CD1 3.68Å; Y39-I96 HydrophobicContact CE1-CD1 3.98Å; Y39-I96 HydrophobicContact CG-CD1 4.25Å; Y39-I107 HydrophobicContact CE1-CD1 4.31Å; Y39-I107 HydrophobicContact CE1-CG2 4.15Å; Y39-H123 HydrophobicContact CD1-CB 3.8Å; Y39-H123 HydrophobicContact CD2-CB 3.96Å; Y39-H123 HydrophobicContact CE1-CB 3.35Å; Y39-H123 HydrophobicContact CE2-CB 3.54Å; Y39-H123 AromaticContact CE2-CD2 3.45Å; Y39-H123 VanDerWaalsContact CE2-CD2 3.45Å; Y39-H123 WeakPolarHBondContact CE2-CD2 3.26Å; Y39-H123 AromaticContact CE2-CG 3.53Å; Y39-H123 HydrophobicContact CG-CB 4.09Å; Y39-H123 AromaticContact CZ-CD2 3.89Å; Y39-H123 AromaticContact CZ-CG 3.45Å; Y39-H123 VanDerWaalsContact CZ-CG 3.45Å; Y39-H123 PolarHBondContact N-O 3.49Å; Y39-V125 HydrophobicContact CD1-CG2 3.91Å; Y39-V125 HydrophobicContact CE1-CG2 4.03Å
40	D	87.5	Confident	91.7	Very high	60 Å²	60	53.6 Å²	53.6	32%	0.321	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	172.6	174.9	-6.6	0	0	0	108.6	E42 T43 G44 I45	D40-E42 PolarHBondContact OD1-N 3.35Å; D40-T43 VanDerWaalsContact CB-OG1 3.27Å; D40-T43 WeakPolarHBondContact CB-OG1 3.36Å; D40-T43 PolarHBondContact OD1-N 3.46Å; D40-T43 VanDerWaalsContact OD2-CG2 3.23Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.37Å; D40-T43 PolarHBondContact OD2-OG1 2.82Å; D40-G44 VanDerWaalsContact O-CA 3.32Å; D40-G44 WeakPolarHBondContact O-CA 3.25Å; D40-G44 PolarHBondContact O-N 2.9Å; D40-I45 PolarHBondContact N-O 3.18Å; D40-I45 PolarHBondContact O-N 3.47Å
41	E	84.8	Confident	91.7	Very high	64 Å²	64	56.6 Å²	56.6	30%	0.299	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.4	-175.4	-161.4	164.9	-157.7	0	0	112.4	Y39 K88 H123	Y39-E41 HydrophobicContact CE2-CB 4.4Å; E41-K88 WeakPolarHBondContact OE1-CB 3.48Å; E41-K88 WeakPolarHBondContact OE1-CG 3.34Å; E41-K88 PolarHBondContact OE1-N 3.3Å; E41-H123 IonicContact OE2-NE2 3.08Å
42	E	82.9	Confident	91.8	Very high	190 Å²	190	52.8 Å²	52.8	89%	0.888	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-40.4	177.4	-63.9	-170.5	167.3	0	0	111.6	D40	D40-E42 PolarHBondContact OD1-N 3.35Å
43	T	85.4	Confident	91.9	Very high	78 Å²	78	52.2 Å²	52.2	48%	0.479	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-16.4	-179	62.1	0	0	0	0	113.4	D40 I45	D40-T43 VanDerWaalsContact CB-OG1 3.27Å; D40-T43 WeakPolarHBondContact CB-OG1 3.36Å; D40-T43 PolarHBondContact OD1-N 3.46Å; D40-T43 VanDerWaalsContact OD2-CG2 3.23Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.37Å; D40-T43 PolarHBondContact OD2-OG1 2.82Å; T43-I45 PolarHBondContact O-N 3.08Å
44	G	83.5	Confident	91.9	Very high	27 Å²	27	51.6 Å²	51.6	28%	0.278	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	18.2	-174.8	0	0	0	0	0	113.2	D40	D40-G44 VanDerWaalsContact O-CA 3.32Å; D40-G44 WeakPolarHBondContact O-CA 3.25Å; D40-G44 PolarHBondContact O-N 2.9Å
45	I	87	Confident	91.9	Very high	106 Å²	106	49.8 Å²	49.8	54%	0.544	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.7	-177.8	-62.8	174	0	0	0	109.4	Y39 D40 T43	Y39-I45 WeakPolarHBondContact CA-O 3.48Å; D40-I45 PolarHBondContact N-O 3.18Å; D40-I45 PolarHBondContact O-N 3.47Å; T43-I45 PolarHBondContact O-N 3.08Å
46	L	90.5	Very high	91.9	Very high	35 Å²	35	52.6 Å²	52.6	18%	0.183	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.5	168.7	-175.4	68.9	0	0	0	109.3	D37 P48 L92 Q95 I96	D37-L46 HydrophobicContact CB-CD1 4.21Å; L46-P48 WeakPolarHBondContact O-CD 3.5Å; L46-L92 HydrophobicContact CB-CD1 3.99Å; L46-Q95 HydrophobicContact CD2-CB 4.12Å; L46-I96 HydrophobicContact CD1-CG1 4.12Å
47	E	91.8	Very high	91.8	Very high	15 Å²	15	53.3 Å²	53.3	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	102.9	175.6	-172.7	-178.9	-176.1	0	0	109.6	R38 S65 N68 Q71	R38-E47 HydrophobicContact CB-CB 4.35Å; R38-E47 IonicContact CZ-OE2 3.74Å; R38-E47 VanDerWaalsContact CZ-OE2 3.29Å; R38-E47 PolarHBondContact N-O 3.44Å; R38-E47 IonicContact NE-OE2 2.72Å; R38-E47 PolarHBondContact NE-OE2 2.9Å; R38-E47 IonicContact NH2-OE2 2.69Å; R38-E47 PolarHBondContact NH2-OE2 3.06Å; R38-E47 PolarHBondContact O-N 2.9Å; E47-S65 WeakPolarHBondContact OE1-CB 3.25Å; E47-S65 PolarHBondContact OE1-OG 3.05Å; E47-N68 PolarHBondContact OE1-ND2 3.09Å; E47-Q71 PolarHBondContact OE2-NE2 3.27Å
48	P	91.4	Very high	91.9	Very high	66 Å²	66	53 Å²	53	43%	0.429	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	155.3	-172	33.1	-36.9	0	0	0	112.9	D37 L46 C50	D37-P48 WeakPolarHBondContact OD1-CA 3.4Å; L46-P48 WeakPolarHBondContact O-CD 3.5Å; P48-C50 VanDerWaalsContact C-N 3.29Å; P48-C50 PolarHBondContact O-N 2.87Å
49	N	93	Very high	91.9	Very high	88 Å²	88	50.9 Å²	50.9	47%	0.471	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.3	36.9	166.6	-158.6	38.3	0	0	0	114.8	H35 F36 D37 F51	H35-N49 VanDerWaalsContact CG-OD1 3.31Å; H35-N49 PolarHBondContact ND1-OD1 3.32Å; F36-N49 CarbonylContact O-C 3.59Å; F36-N49 PolarHBondContact O-N 3.21Å; D37-N49 PolarHBondContact OD1-N 2.98Å; N49-F51 PolarHBondContact O-N 3.28Å
50	C	95.5	Very high	92.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	120.8	171.6	-66.3	0	0	0	0	109.7	H35 F36 P48 V52 W63 Q64	H35-C50 WeakPolarHBondContact CA-O 3.49Å; F36-C50 PolarHBondContact N-O 2.87Å; F36-C50 WeakPolarHBondContact O-CA 3.23Å; F36-C50 WeakPolarHBondContact O-CB 3.18Å; F36-C50 PolarHBondContact O-N 2.92Å; P48-C50 VanDerWaalsContact C-N 3.29Å; P48-C50 PolarHBondContact O-N 2.87Å; C50-V52 HydrophobicContact CB-CG2 4.42Å; C50-V52 PolarHBondContact O-N 3.25Å; C50-W63 HydrophobicContact CB-CB 4.41Å; C50-Q64 WeakPolarHBondContact CA-O 3.39Å
51	F	96.7	Very high	92.7	Very high	62 Å²	62	47.7 Å²	47.7	27%	0.272	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	107.6	174.5	-171.4	-122.2	0	0	0	109.9	T32 H35 N49 R53 W63 Q64	T32-F51 WeakPolarHBondContact O-CZ 3.33Å; H35-F51 AromaticContact CD2-CD2 3.78Å; H35-F51 AromaticContact CE1-CD2 3.6Å; H35-F51 AromaticContact ND1-CD2 3.88Å; H35-F51 AromaticContact NE2-CD2 3.53Å; N49-F51 PolarHBondContact O-N 3.28Å; F51-R53 HydrophobicContact CD1-CG 4.44Å; F51-R53 HydrophobicContact CE1-CG 4.05Å; F51-R53 HydrophobicContact CZ-CG 4.44Å; F51-W63 VanDerWaalsContact O-CA 3.22Å; F51-W63 WeakPolarHBondContact O-CA 3.28Å; F51-Q64 PolarHBondContact N-O 3.36Å; F51-Q64 PolarHBondContact O-N 3.48Å
52	V	97.7	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.4	-171.1	-170.4	0	0	0	0	110.4	G33 E34 F36 C50 I61 Y62 W63 M124 W135	G33-V52 CarbonylContact C-O 3.55Å; G33-V52 WeakPolarHBondContact CA-O 3.41Å; E34-V52 PolarHBondContact N-O 2.85Å; E34-V52 VanDerWaalsContact N-O 3.11Å; E34-V52 PolarHBondContact O-N 3.24Å; F36-V52 HydrophobicContact CB-CG2 3.89Å; F36-V52 HydrophobicContact CD2-CB 3.88Å; F36-V52 HydrophobicContact CD2-CG2 3.55Å; F36-V52 HydrophobicContact CE2-CB 4.3Å; F36-V52 HydrophobicContact CE2-CG2 4.41Å; F36-V52 HydrophobicContact CG-CG2 3.99Å; C50-V52 HydrophobicContact CB-CG2 4.42Å; C50-V52 PolarHBondContact O-N 3.25Å; V52-I61 HydrophobicContact CG1-CD1 3.78Å; V52-I61 HydrophobicContact CG1-CG1 3.85Å; V52-Y62 WeakPolarHBondContact CA-O 3.37Å; V52-W63 HydrophobicContact CB-CB 4.32Å; V52-W63 HydrophobicContact CG1-CB 4.46Å; V52-W63 HydrophobicContact CG2-CB 3.89Å; V52-M124 HydrophobicContact CG1-CE 4.21Å; V52-M124 HydrophobicContact CG1-SD 3.99Å; V52-M124 HydrophobicContact CG2-CE 4.24Å; V52-M124 HydrophobicContact CG2-SD 3.85Å; V52-W135 HydrophobicContact CB-CH2 4.11Å; V52-W135 HydrophobicContact CB-CZ3 4.31Å; V52-W135 HydrophobicContact CG1-CH2 3.94Å; V52-W135 HydrophobicContact CG1-CZ3 3.7Å; V52-W135 WeakPolarHBondContact O-CH2 3.45Å
53	R	97.6	Very high	93.9	Very high	73 Å²	73	37.3 Å²	37.3	28%	0.275	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.9	-179.4	-75.6	179.3	-68.6	175.6	-2.2	112.1	L30 G33 F51 I61 Y62	L30-R53 CarbonylContact O-C 3.52Å; L30-R53 WeakPolarHBondContact O-CA 3.33Å; G33-R53 VanDerWaalsContact CA-CG 3.5Å; F51-R53 HydrophobicContact CD1-CG 4.44Å; F51-R53 HydrophobicContact CE1-CG 4.05Å; F51-R53 HydrophobicContact CZ-CG 4.44Å; R53-I61 CarbonylContact O-C 3.58Å; R53-I61 WeakPolarHBondContact O-CA 3.46Å; R53-Y62 HydrophobicContact CB-CD1 4.2Å; R53-Y62 HydrophobicContact CB-CE1 3.58Å; R53-Y62 HydrophobicContact CB-CE2 4Å; R53-Y62 VanDerWaalsContact CB-CZ 3.46Å; R53-Y62 PolarHBondContact N-O 2.95Å; R53-Y62 PolarHBondContact NE-OH 3.16Å; R53-Y62 WeakPolarHBondContact O-CD1 3.39Å; R53-Y62 PolarHBondContact O-N 3.23Å
54	V	97.8	Very high	94.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.8	168.2	-179.4	0	0	0	0	108.8	V26 L30 F60 I61 L75 L139 L142	V26-V54 HydrophobicContact CG1-CB 4.09Å; V26-V54 HydrophobicContact CG1-CG1 3.85Å; V26-V54 HydrophobicContact CG2-CG1 4.47Å; L30-V54 HydrophobicContact CB-CB 3.97Å; L30-V54 HydrophobicContact CB-CG2 3.95Å; L30-V54 HydrophobicContact CD2-CB 4.45Å; L30-V54 HydrophobicContact CD2-CG2 3.64Å; L30-V54 HydrophobicContact CG-CG2 4.4Å; L30-V54 PolarHBondContact O-N 3.48Å; V54-F60 WeakPolarHBondContact CA-O 3.35Å; V54-I61 HydrophobicContact CG2-CB 4.19Å; V54-I61 HydrophobicContact CG2-CG1 4.22Å; V54-L75 HydrophobicContact CG1-CD1 3.87Å; V54-L139 HydrophobicContact CG2-CD2 3.79Å; V54-L142 HydrophobicContact CG1-CD1 4.16Å
55	D	96.3	Very high	94.8	Very high	8 Å²	8	34 Å²	34	4%	0.043	17%	0.169	C	C	.	.			trans	-70.4	159.3	178.7	79.5	-83.2	0	0	0	112.3	D57 G58 F59 F60 Y62 L162	D55-D57 PolarHBondContact O-N 3.17Å; D55-D57 VanDerWaalsContact O-N 3.14Å; D55-D57 WeakPolarHBondContact OD2-CA 3.39Å; D55-D57 WeakPolarHBondContact OD2-CB 3.48Å; D55-D57 PolarHBondContact OD2-N 3.37Å; D55-G58 PolarHBondContact O-N 3.24Å; D55-G58 PolarHBondContact OD2-N 3.08Å; D55-F59 WeakPolarHBondContact OD1-CA 3.46Å; D55-F59 PolarHBondContact OD1-N 3.3Å; D55-F60 PolarHBondContact N-O 3.12Å; D55-F60 VanDerWaalsContact N-O 3.14Å; D55-F60 PolarHBondContact OD1-N 2.73Å; D55-Y62 HydrophobicContact CB-CE1 4.47Å; D55-L162 HydrophobicContact CB-CD2 3.88Å; D55-L162 WeakPolarHBondContact OD2-CD2 3.38Å
56	K	95.2	Very high	94.7	Very high	151 Å²	151	37.1 Å²	37.1	66%	0.657	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.9	-176.5	69.5	179	-175.5	178	0	115
57	D	93.8	Very high	94.4	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.102	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-7.8	-176.6	-66.4	-43.1	0	0	0	111.5	W22 K23 D55 F59	W22-D57 HydrophobicContact CH2-CB 4.2Å; K23-D57 VanDerWaalsContact CE-OD1 3.31Å; K23-D57 WeakPolarHBondContact CE-OD1 3.5Å; K23-D57 IonicContact NZ-OD1 3.03Å; K23-D57 PolarHBondContact NZ-OD1 3.48Å; D55-D57 PolarHBondContact O-N 3.17Å; D55-D57 VanDerWaalsContact O-N 3.14Å; D55-D57 WeakPolarHBondContact OD2-CA 3.39Å; D55-D57 WeakPolarHBondContact OD2-CB 3.48Å; D55-D57 PolarHBondContact OD2-N 3.37Å; D57-F59 HydrophobicContact CB-CD2 3.76Å; D57-F59 HydrophobicContact CB-CE2 3.81Å
58	G	94.9	Very high	94.4	Very high	13 Å²	13	44.6 Å²	44.6	13%	0.134	22%	0.222	C	C	.	.	S	Bend	trans	72	38.1	177.8	0	0	0	0	0	113.2	D55 L75	D55-G58 PolarHBondContact O-N 3.24Å; D55-G58 PolarHBondContact OD2-N 3.08Å; G58-L75 WeakPolarHBondContact O-CD1 3.39Å
59	F	95.3	Very high	94.5	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.026	22%	0.221	C	C	.	.	S	Bend	trans	-95.5	-35.5	176.4	-71.8	-48.1	0	0	0	114.1	W22 D55 D57 E74 L75 T155 K159 L162	W22-F59 HydrophobicContact CE3-CE1 4.38Å; W22-F59 HydrophobicContact CE3-CZ 4.38Å; W22-F59 AromaticContact CH2-CE1 3.87Å; W22-F59 HydrophobicContact CH2-CE1 3.87Å; W22-F59 AromaticContact CH2-CE2 3.64Å; W22-F59 HydrophobicContact CH2-CE2 3.64Å; W22-F59 AromaticContact CH2-CZ 3.12Å; W22-F59 HydrophobicContact CH2-CZ 3.12Å; W22-F59 HydrophobicContact CZ2-CZ 4.07Å; W22-F59 HydrophobicContact CZ3-CD1 4.46Å; W22-F59 AromaticContact CZ3-CE1 3.53Å; W22-F59 HydrophobicContact CZ3-CE1 3.53Å; W22-F59 HydrophobicContact CZ3-CE2 4.09Å; W22-F59 AromaticContact CZ3-CZ 3.32Å; W22-F59 HydrophobicContact CZ3-CZ 3.32Å; D55-F59 WeakPolarHBondContact OD1-CA 3.46Å; D55-F59 PolarHBondContact OD1-N 3.3Å; D57-F59 HydrophobicContact CB-CD2 3.76Å; D57-F59 HydrophobicContact CB-CE2 3.81Å; F59-E74 CarbonylContact O-C 3.59Å; F59-E74 WeakPolarHBondContact O-CA 3.48Å; F59-L75 PolarHBondContact O-N 2.97Å; F59-T155 HydrophobicContact CE2-CG2 4.34Å; F59-T155 HydrophobicContact CZ-CG2 3.73Å; F59-K159 HydrophobicContact CB-CD 4.46Å; F59-K159 HydrophobicContact CB-CG 4.13Å; F59-K159 HydrophobicContact CD1-CD 3.72Å; F59-K159 HydrophobicContact CD1-CG 4.09Å; F59-K159 HydrophobicContact CD2-CB 4.05Å; F59-K159 HydrophobicContact CD2-CD 4.45Å; F59-K159 HydrophobicContact CD2-CG 3.95Å; F59-K159 HydrophobicContact CE1-CD 3.95Å; F59-K159 HydrophobicContact CE1-CG 4.45Å; F59-K159 HydrophobicContact CE2-CB 3.99Å; F59-K159 HydrophobicContact CE2-CG 4.31Å; F59-K159 HydrophobicContact CG-CB 4.39Å; F59-K159 HydrophobicContact CG-CD 3.99Å; F59-K159 HydrophobicContact CG-CG 3.82Å; F59-K159 HydrophobicContact CZ-CB 4.29Å; F59-K159 HydrophobicContact CZ-CD 4.38Å; F59-L162 HydrophobicContact CD2-CD2 4.33Å
60	F	97.1	Very high	94.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.4	-172.6	-58.6	-75.6	0	0	0	111.1	V54 D55 L73 E74 K159 L162 R163 L166	V54-F60 WeakPolarHBondContact CA-O 3.35Å; D55-F60 PolarHBondContact N-O 3.12Å; D55-F60 VanDerWaalsContact N-O 3.14Å; D55-F60 PolarHBondContact OD1-N 2.73Å; F60-L73 VanDerWaalsContact CA-O 3.29Å; F60-L73 WeakPolarHBondContact CA-O 3.44Å; F60-E74 HydrophobicContact CD1-CB 4Å; F60-E74 HydrophobicContact CD1-CG 4.25Å; F60-E74 HydrophobicContact CE1-CB 3.8Å; F60-E74 HydrophobicContact CE1-CG 3.81Å; F60-E74 HydrophobicContact CZ-CG 4.47Å; F60-K159 HydrophobicContact CE2-CG 3.74Å; F60-K159 WeakPolarHBondContact CE2-O 3.32Å; F60-K159 HydrophobicContact CZ-CG 3.77Å; F60-L162 HydrophobicContact CD2-CD2 4.03Å; F60-L162 HydrophobicContact CD2-CG 4.24Å; F60-L162 HydrophobicContact CE2-CB 4.47Å; F60-L162 HydrophobicContact CE2-CD2 4.35Å; F60-L162 HydrophobicContact CE2-CG 4.44Å; F60-R163 HydrophobicContact CE1-CB 4.32Å; F60-R163 HydrophobicContact CE2-CB 4.08Å; F60-R163 HydrophobicContact CZ-CB 3.74Å; F60-L166 HydrophobicContact CB-CD1 3.87Å; F60-L166 HydrophobicContact CD2-CD1 3.99Å; F60-L166 HydrophobicContact CG-CD1 4.13Å
61	I	97.7	Very high	94.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136	151.8	-176.6	168	0	0	0	107.7	V52 R53 V54 W63 Q72 L73 I78 I110 W135 L139	V52-I61 HydrophobicContact CG1-CD1 3.78Å; V52-I61 HydrophobicContact CG1-CG1 3.85Å; R53-I61 CarbonylContact O-C 3.58Å; R53-I61 WeakPolarHBondContact O-CA 3.46Å; V54-I61 HydrophobicContact CG2-CB 4.19Å; V54-I61 HydrophobicContact CG2-CG1 4.22Å; I61-W63 HydrophobicContact CG2-CZ3 4.46Å; I61-Q72 CarbonylContact O-C 3.57Å; I61-Q72 WeakPolarHBondContact O-CA 3.43Å; I61-L73 HydrophobicContact CG2-CB 3.82Å; I61-L73 HydrophobicContact CG2-CD2 4.39Å; I61-L73 HydrophobicContact CG2-CG 4.39Å; I61-L73 PolarHBondContact N-O 3.42Å; I61-L73 PolarHBondContact O-N 3.25Å; I61-I78 HydrophobicContact CG2-CD1 3.89Å; I61-I110 HydrophobicContact CD1-CD1 3.82Å; I61-W135 HydrophobicContact CD1-CZ3 4.25Å; I61-L139 HydrophobicContact CD1-CD1 3.96Å; I61-L139 HydrophobicContact CD1-CD2 4.12Å
62	Y	97.4	Very high	94.5	Very high	25 Å²	25	43.6 Å²	43.6	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.3	-176	66.1	-77.8	0	0	0	111.1	V52 R53 D55 Q71 L166	V52-Y62 WeakPolarHBondContact CA-O 3.37Å; R53-Y62 HydrophobicContact CB-CD1 4.2Å; R53-Y62 HydrophobicContact CB-CE1 3.58Å; R53-Y62 HydrophobicContact CB-CE2 4Å; R53-Y62 VanDerWaalsContact CB-CZ 3.46Å; R53-Y62 PolarHBondContact N-O 2.95Å; R53-Y62 PolarHBondContact NE-OH 3.16Å; R53-Y62 WeakPolarHBondContact O-CD1 3.39Å; R53-Y62 PolarHBondContact O-N 3.23Å; D55-Y62 HydrophobicContact CB-CE1 4.47Å; Y62-Q71 CarbonylContact C-O 3.45Å; Y62-Q71 VanDerWaalsContact CA-O 3.23Å; Y62-Q71 WeakPolarHBondContact CA-O 3.46Å; Y62-Q71 WeakPolarHBondContact CB-O 3.39Å; Y62-L166 HydrophobicContact CD1-CD1 3.99Å; Y62-L166 HydrophobicContact CD1-CD2 4.16Å; Y62-L166 HydrophobicContact CD2-CD2 3.84Å; Y62-L166 HydrophobicContact CE1-CD1 4.4Å; Y62-L166 HydrophobicContact CE1-CD2 4.04Å; Y62-L166 HydrophobicContact CE2-CD2 3.66Å; Y62-L166 HydrophobicContact CG-CD1 4.2Å; Y62-L166 HydrophobicContact CG-CD2 4.07Å
63	W	96.6	Very high	94.4	Very high	10 Å²	10	44.5 Å²	44.5	4%	0.038	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.9	-178	63.1	94.2	0	0	0	112.1	C50 F51 V52 I61 S70 Q71 L73 T122 M124	C50-W63 HydrophobicContact CB-CB 4.41Å; F51-W63 VanDerWaalsContact O-CA 3.22Å; F51-W63 WeakPolarHBondContact O-CA 3.28Å; V52-W63 HydrophobicContact CB-CB 4.32Å; V52-W63 HydrophobicContact CG1-CB 4.46Å; V52-W63 HydrophobicContact CG2-CB 3.89Å; I61-W63 HydrophobicContact CG2-CZ3 4.46Å; W63-S70 WeakPolarHBondContact O-CA 3.37Å; W63-S70 PolarHBondContact O-OG 3.14Å; W63-S70 VanDerWaalsContact O-OG 3.04Å; W63-Q71 HydrophobicContact CD2-CB 4.12Å; W63-Q71 HydrophobicContact CH2-CB 4.35Å; W63-Q71 HydrophobicContact CZ2-CB 3.64Å; W63-Q71 PolarHBondContact N-O 3.11Å; W63-Q71 PolarHBondContact O-N 3.23Å; W63-L73 HydrophobicContact CH2-CB 4.28Å; W63-L73 HydrophobicContact CZ3-CB 4.14Å; W63-T122 HydrophobicContact CH2-CG2 4.27Å; W63-T122 HydrophobicContact CZ2-CG2 4.32Å; W63-M124 HydrophobicContact CD2-CE 3.72Å; W63-M124 HydrophobicContact CE3-CE 3.55Å; W63-M124 HydrophobicContact CG-CE 4.29Å; W63-M124 HydrophobicContact CH2-CE 4.35Å; W63-M124 HydrophobicContact CZ2-CE 4.49Å; W63-M124 HydrophobicContact CZ3-CE 3.89Å
64	Q	94.7	Very high	94.3	Very high	26 Å²	26	41.1 Å²	41.1	12%	0.121	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	141.2	175.5	-169.9	173.9	7.4	0	0	110	C50 F51 N68 N169 N172	C50-Q64 WeakPolarHBondContact CA-O 3.39Å; F51-Q64 PolarHBondContact N-O 3.36Å; F51-Q64 PolarHBondContact O-N 3.48Å; Q64-N68 WeakPolarHBondContact CG-O 3.45Å; Q64-N68 PolarHBondContact NE2-O 3.08Å; Q64-N68 VanDerWaalsContact NE2-O 3.13Å; Q64-N169 PolarHBondContact NE2-O 3.35Å; Q64-N172 PolarHBondContact NE2-OD1 2.89Å; Q64-N172 VanDerWaalsContact NE2-OD1 3.16Å; Q64-N172 PolarHBondContact OE1-OD1 3.28Å
65	S	92.2	Very high	94.2	Very high	11 Å²	11	41.4 Å²	41.4	8%	0.077	21%	0.207	C	C	.	.			trans	-107.1	161.3	167.2	64.1	0	0	0	0	109.9	E47 N67 N68	E47-S65 WeakPolarHBondContact OE1-CB 3.25Å; E47-S65 PolarHBondContact OE1-OG 3.05Å; S65-N67 PolarHBondContact O-N 3.45Å; S65-N68 PolarHBondContact O-N 2.74Å; S65-N68 VanDerWaalsContact O-N 3.12Å; S65-N68 WeakPolarHBondContact OG-CB 3.41Å; S65-N68 PolarHBondContact OG-ND2 2.65Å
66	E	84.7	Confident	94	Very high	171 Å²	171	43 Å²	43	80%	0.799	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.4	-163.6	-151.2	174.2	-158.9	0	0	115.2
67	N	85.3	Confident	93.9	Very high	134 Å²	134	37.9 Å²	37.9	72%	0.717	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.8	4	-176.4	-64.2	-58.2	0	0	0	114.3	S65	S65-N67 PolarHBondContact O-N 3.45Å
68	N	92	Very high	93.9	Very high	73 Å²	73	37.2 Å²	37.2	39%	0.39	19%	0.193	S	C	.	.	S	Bend	trans	-109.2	157.2	-177.7	-70.1	-30.7	0	0	0	111.7	E47 Q64 S65	E47-N68 PolarHBondContact OE1-ND2 3.09Å; Q64-N68 WeakPolarHBondContact CG-O 3.45Å; Q64-N68 PolarHBondContact NE2-O 3.08Å; Q64-N68 VanDerWaalsContact NE2-O 3.13Å; S65-N68 PolarHBondContact O-N 2.74Å; S65-N68 VanDerWaalsContact O-N 3.12Å; S65-N68 WeakPolarHBondContact OG-CB 3.41Å; S65-N68 PolarHBondContact OG-ND2 2.65Å
69	D	93.4	Very high	93.9	Very high	78 Å²	78	37.4 Å²	37.4	42%	0.417	19%	0.192	S	C	.	.			trans	-63.8	146.3	168	-69.9	-6.6	0	0	0	109.3	L168 N169 A170	D69-L168 CarbonylContact C-O 3.47Å; D69-L168 WeakPolarHBondContact CA-O 3.23Å; D69-N169 VanDerWaalsContact OD1-CA 3.26Å; D69-N169 WeakPolarHBondContact OD1-CA 3.3Å; D69-A170 PolarHBondContact OD1-N 3.43Å
70	S	95.4	Very high	93.9	Very high	14 Å²	14	37.2 Å²	37.2	10%	0.098	19%	0.192	C	C	.	.			trans	-65.9	139.3	176.8	-175.4	0	0	0	0	110.6	W63 L166 L168	W63-S70 WeakPolarHBondContact O-CA 3.37Å; W63-S70 PolarHBondContact O-OG 3.14Å; W63-S70 VanDerWaalsContact O-OG 3.04Å; S70-L166 WeakPolarHBondContact CB-O 3.32Å; S70-L166 PolarHBondContact OG-O 2.8Å; S70-L168 PolarHBondContact N-O 3.33Å
71	Q	94.8	Very high	93.8	Very high	58 Å²	58	37.2 Å²	37.2	27%	0.271	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.4	175.7	-67.9	173.6	71.7	0	0	109.3	R38 E47 Y62 W63	R38-Q71 VanDerWaalsContact CZ-OE1 3.24Å; E47-Q71 PolarHBondContact OE2-NE2 3.27Å; Y62-Q71 CarbonylContact C-O 3.45Å; Y62-Q71 VanDerWaalsContact CA-O 3.23Å; Y62-Q71 WeakPolarHBondContact CA-O 3.46Å; Y62-Q71 WeakPolarHBondContact CB-O 3.39Å; W63-Q71 HydrophobicContact CD2-CB 4.12Å; W63-Q71 HydrophobicContact CH2-CB 4.35Å; W63-Q71 HydrophobicContact CZ2-CB 3.64Å; W63-Q71 PolarHBondContact N-O 3.11Å; W63-Q71 PolarHBondContact O-N 3.23Å
72	Q	95.2	Very high	93.6	Very high	45 Å²	45	39.6 Å²	39.6	21%	0.21	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.4	179	54.9	131.7	63.6	0	0	111.1	I61	I61-Q72 CarbonylContact O-C 3.57Å; I61-Q72 WeakPolarHBondContact O-CA 3.43Å
73	L	95.8	Very high	93.4	Very high	18 Å²	18	42 Å²	42	9%	0.094	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.3	177.1	178.3	63.3	0	0	0	108.8	F60 I61 W63 I78 I110	F60-L73 VanDerWaalsContact CA-O 3.29Å; F60-L73 WeakPolarHBondContact CA-O 3.44Å; I61-L73 HydrophobicContact CG2-CB 3.82Å; I61-L73 HydrophobicContact CG2-CD2 4.39Å; I61-L73 HydrophobicContact CG2-CG 4.39Å; I61-L73 PolarHBondContact N-O 3.42Å; I61-L73 PolarHBondContact O-N 3.25Å; W63-L73 HydrophobicContact CH2-CB 4.28Å; W63-L73 HydrophobicContact CZ3-CB 4.14Å; L73-I78 HydrophobicContact CD2-CD1 3.9Å; L73-I78 HydrophobicContact CD2-CG1 3.73Å; L73-I78 HydrophobicContact CG-CD1 4.23Å; L73-I78 HydrophobicContact CG-CG1 4.02Å; L73-I110 HydrophobicContact CD2-CG2 3.76Å
74	E	94.9	Very high	92.9	Very high	3 Å²	3	42 Å²	42	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.8	-179.2	-167.7	174.8	127.1	0	0	110.7	F59 F60 S76 Q77 K159 R163	F59-E74 CarbonylContact O-C 3.59Å; F59-E74 WeakPolarHBondContact O-CA 3.48Å; F60-E74 HydrophobicContact CD1-CB 4Å; F60-E74 HydrophobicContact CD1-CG 4.25Å; F60-E74 HydrophobicContact CE1-CB 3.8Å; F60-E74 HydrophobicContact CE1-CG 3.81Å; F60-E74 HydrophobicContact CZ-CG 4.47Å; E74-S76 WeakPolarHBondContact CG-OG 3.36Å; E74-S76 PolarHBondContact O-N 3.13Å; E74-S76 PolarHBondContact OE1-OG 3.01Å; E74-Q77 HydrophobicContact CB-CG 4.03Å; E74-Q77 WeakPolarHBondContact O-CB 3.36Å; E74-Q77 PolarHBondContact O-N 3.46Å; E74-K159 VanDerWaalsContact OE1-CE 3.32Å; E74-K159 WeakPolarHBondContact OE1-CE 3.38Å; E74-K159 IonicContact OE1-NZ 2.82Å; E74-K159 PolarHBondContact OE1-NZ 3.44Å; E74-K159 WeakPolarHBondContact OE2-CE 3.22Å; E74-K159 IonicContact OE2-NZ 2.91Å; E74-R163 IonicContact OE2-CZ 2.87Å; E74-R163 IonicContact OE2-NH2 3.74Å; E74-R163 PolarHBondContact OE2-NH2 3.39Å
75	L	94.7	Very high	92.5	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.4	-29.6	-177.9	-86.9	150.2	0	0	0	113	V54 G58 F59 Q77 I78 L139 L142 T143	V54-L75 HydrophobicContact CG1-CD1 3.87Å; G58-L75 WeakPolarHBondContact O-CD1 3.39Å; F59-L75 PolarHBondContact O-N 2.97Å; L75-Q77 PolarHBondContact O-N 3.17Å; L75-I78 HydrophobicContact CD2-CD1 4.02Å; L75-I78 HydrophobicContact CG-CD1 4.35Å; L75-I78 PolarHBondContact O-N 2.87Å; L75-L139 HydrophobicContact CD2-CD2 4.41Å; L75-L142 HydrophobicContact CD2-CB 4.13Å; L75-T143 HydrophobicContact CD2-CG2 4.11Å
76	S	92.1	Very high	92.4	Very high	41 Å²	41	48.7 Å²	48.7	29%	0.287	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-71.7	-10	173.1	35.1	0	0	0	0	114.5	E74 K159	E74-S76 WeakPolarHBondContact CG-OG 3.36Å; E74-S76 PolarHBondContact O-N 3.13Å; E74-S76 PolarHBondContact OE1-OG 3.01Å; S76-K159 PolarHBondContact OG-NZ 2.97Å
77	Q	93.5	Very high	92.7	Very high	44 Å²	44	40.6 Å²	40.6	21%	0.206	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-96.2	-10.4	172.6	-60.4	174.9	1.1	0	0	111.9	E74 L75 S79 S112 G113 L114	E74-Q77 HydrophobicContact CB-CG 4.03Å; E74-Q77 WeakPolarHBondContact O-CB 3.36Å; E74-Q77 PolarHBondContact O-N 3.46Å; L75-Q77 PolarHBondContact O-N 3.17Å; Q77-S79 PolarHBondContact O-N 3.42Å; Q77-S112 CarbonylContact O-C 3.58Å; Q77-S112 WeakPolarHBondContact O-CA 3.43Å; Q77-S112 VanDerWaalsContact O-CB 3.3Å; Q77-S112 WeakPolarHBondContact O-CB 3.38Å; Q77-G113 PolarHBondContact O-N 3.16Å; Q77-L114 HydrophobicContact CG-CD2 3.95Å
78	I	95.1	Very high	92.8	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116.2	178.5	-61.8	177	0	0	0	108.3	I61 L73 L75 V81 I110 C111 T143	I61-I78 HydrophobicContact CG2-CD1 3.89Å; L73-I78 HydrophobicContact CD2-CD1 3.9Å; L73-I78 HydrophobicContact CD2-CG1 3.73Å; L73-I78 HydrophobicContact CG-CD1 4.23Å; L73-I78 HydrophobicContact CG-CG1 4.02Å; L75-I78 HydrophobicContact CD2-CD1 4.02Å; L75-I78 HydrophobicContact CG-CD1 4.35Å; L75-I78 PolarHBondContact O-N 2.87Å; I78-V81 HydrophobicContact CG2-CG2 3.59Å; I78-I110 HydrophobicContact CB-CG2 4.5Å; I78-I110 HydrophobicContact CD1-CG2 3.7Å; I78-I110 HydrophobicContact CG1-CG2 3.85Å; I78-I110 HydrophobicContact CG2-CG2 3.87Å; I78-C111 CarbonylContact C-O 3.58Å; I78-C111 WeakPolarHBondContact CA-O 3.42Å; I78-T143 HydrophobicContact CB-CG2 3.93Å; I78-T143 HydrophobicContact CG2-CG2 3.69Å
79	S	93.5	Very high	92.7	Very high	16 Å²	16	42.8 Å²	42.8	11%	0.112	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-34.2	177.1	55.7	0	0	0	0	112.4	Q77 C111 H144 Q357 L360	Q77-S79 PolarHBondContact O-N 3.42Å; S79-C111 PolarHBondContact N-O 3.32Å; S79-C111 PolarHBondContact OG-O 2.97Å; S79-H144 PolarHBondContact O-CE1 3.07Å; S79-H144 PolarHBondContact O-NE2 2.97Å; S79-Q357 PolarHBondContact OG-NE2 2.98Å; S79-Q357 PolarHBondContact OG-OE1 3.4Å; S79-L360 VanDerWaalsContact O-CD1 3.3Å; S79-L360 WeakPolarHBondContact O-CD1 3.31Å
80	D	94.8	Very high	92.5	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156.4	176.5	-169.2	13.6	0	0	0	110.7	R82 C111 R140 L360	D80-R82 IonicContact OD2-NH1 2.9Å; D80-C111 HydrophobicContact CB-CB 4.17Å; D80-C111 PolarHBondContact N-O 3.21Å; D80-C111 PolarHBondContact O-N 3.18Å; D80-R140 IonicContact OD1-CZ 2.92Å; D80-R140 IonicContact OD1-NE 3.8Å; D80-R140 PolarHBondContact OD1-NE 3.48Å; D80-R140 IonicContact OD1-NH2 3.59Å; D80-R140 PolarHBondContact OD1-NH2 3.31Å; D80-R140 IonicContact OD2-NH2 2.79Å; D80-L360 HydrophobicContact CB-CD1 4Å
81	V	95.8	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	118.6	171.3	-176.6	0	0	0	0	107.4	I78 V108 T109 I110 I136 L139 R140	I78-V81 HydrophobicContact CG2-CG2 3.59Å; V81-V108 HydrophobicContact CG1-CG1 3.72Å; V81-T109 CarbonylContact C-O 3.5Å; V81-T109 WeakPolarHBondContact CA-O 3.29Å; V81-I110 HydrophobicContact CG1-CG1 4.21Å; V81-I110 HydrophobicContact CG2-CG1 4.44Å; V81-I110 HydrophobicContact CG2-CG2 4.4Å; V81-I136 HydrophobicContact CG1-CB 4.49Å; V81-I136 HydrophobicContact CG1-CG1 4.19Å; V81-I136 WeakPolarHBondContact O-CG2 3.49Å; V81-L139 HydrophobicContact CB-CB 4.41Å; V81-L139 HydrophobicContact CG1-CB 4.22Å; V81-L139 HydrophobicContact CG1-CD1 4.06Å; V81-L139 HydrophobicContact CG2-CB 4.02Å; V81-R140 HydrophobicContact CB-CG 4.2Å; V81-R140 PolarHBondContact O-NE 2.96Å; V81-R140 PolarHBondContact O-NH2 3.4Å
82	R	93.8	Very high	91.9	Very high	49 Å²	49	50.1 Å²	50.1	19%	0.185	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	166.4	-170.9	61.8	-173.7	178.8	-151.4	6.8	112.7	D80 G84 T109 E353	D80-R82 IonicContact OD2-NH1 2.9Å; R82-G84 PolarHBondContact O-N 3.3Å; R82-T109 PolarHBondContact N-O 2.82Å; R82-T109 PolarHBondContact O-N 3.5Å; R82-E353 IonicContact CZ-OE2 3.1Å; R82-E353 IonicContact NH1-OE1 2.77Å; R82-E353 IonicContact NH1-OE2 3.1Å; R82-E353 PolarHBondContact NH1-OE2 2.63Å; R82-E353 IonicContact NH2-OE2 3.86Å; R82-E353 PolarHBondContact NH2-OE2 2.83Å
83	S	93.1	Very high	91.7	Very high	75 Å²	75	48.3 Å²	48.3	52%	0.524	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	132.1	169.8	-58.3	0	0	0	0	109.6	I107	S83-I107 CarbonylContact C-O 3.39Å; S83-I107 WeakPolarHBondContact CA-O 3.31Å
84	G	86.9	Confident	91.4	Very high	12 Å²	12	50 Å²	50	12%	0.124	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-79	164.2	175.4	0	0	0	0	0	112.5	R82 I107 T109	R82-G84 PolarHBondContact O-N 3.3Å; G84-I107 PolarHBondContact N-O 3.08Å; G84-T109 WeakPolarHBondContact CA-OG1 3.41Å
85	A	86.5	Confident	91.1	Very high	72 Å²	72	53 Å²	53	60%	0.595	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-100.6	170.8	172.7	0	0	0	0	0	110.7	I107	A85-I107 WeakPolarHBondContact O-CD1 3.22Å
86	K	89.7	Confident	90.7	Very high	104 Å²	104	53 Å²	53	45%	0.452	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-52.7	128.6	167.4	-179.9	-166.5	171.9	-166.7	0	109.1	T93 W104	K86-T93 HydrophobicContact CD-CG2 4.4Å; K86-T93 HydrophobicContact CG-CG2 4.24Å; K86-W104 HydrophobicContact CB-CD2 4.09Å; K86-W104 HydrophobicContact CB-CG 4.33Å; K86-W104 HydrophobicContact CB-CZ2 4.3Å; K86-W104 HydrophobicContact CD-CZ2 4.29Å; K86-W104 HydrophobicContact CG-CD2 4.39Å; K86-W104 HydrophobicContact CG-CH2 4.14Å; K86-W104 HydrophobicContact CG-CZ2 3.71Å
87	P	89.3	Confident	90.5	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.013	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-56.5	143.9	173.3	-21.6	30.5	0	0	0	111.8	Y39 D89 L92 T93 I96	Y39-P87 HydrophobicContact CE1-CG 4.28Å; Y39-P87 HydrophobicContact CE2-CB 4.33Å; Y39-P87 HydrophobicContact CE2-CG 4.1Å; P87-D89 VanDerWaalsContact C-N 3.32Å; P87-L92 HydrophobicContact CB-CB 4.5Å; P87-L92 HydrophobicContact CB-CD2 3.77Å; P87-L92 HydrophobicContact CB-CG 4.49Å; P87-L92 HydrophobicContact CG-CD2 4.07Å; P87-T93 PolarHBondContact O-OG1 3.38Å; P87-T93 VanDerWaalsContact O-OG1 3.1Å; P87-I96 HydrophobicContact CG-CD1 3.92Å
88	K	88.8	Confident	90.1	Very high	189 Å²	189	60.4 Å²	60.4	82%	0.822	31%	0.311	S	S	*	.	S	Bend	trans	-69.4	-32.1	176.5	-68.4	175.2	-176.2	173.2	0	112.4	E41 E90	E41-K88 WeakPolarHBondContact OE1-CB 3.48Å; E41-K88 WeakPolarHBondContact OE1-CG 3.34Å; E41-K88 PolarHBondContact OE1-N 3.3Å; K88-E90 PolarHBondContact O-N 3.17Å
89	D	88.8	Confident	89.4	Confident	64 Å²	64	65.6 Å²	65.6	34%	0.342	33%	0.333	S	S	.	.			trans	-72.5	120.5	176.7	-174.4	-63.9	0	0	0	110.7	P87 K91 L92 T93	P87-D89 VanDerWaalsContact C-N 3.32Å; D89-K91 PolarHBondContact O-N 3.41Å; D89-K91 VanDerWaalsContact OD1-CA 3.31Å; D89-K91 WeakPolarHBondContact OD1-CA 3.46Å; D89-K91 VanDerWaalsContact OD1-CB 3.22Å; D89-K91 WeakPolarHBondContact OD1-CB 3.44Å; D89-K91 PolarHBondContact OD1-N 3.45Å; D89-L92 HydrophobicContact CB-CB 3.94Å; D89-L92 PolarHBondContact O-N 3.36Å; D89-L92 PolarHBondContact OD1-N 2.93Å; D89-T93 WeakPolarHBondContact O-CB 3.41Å; D89-T93 PolarHBondContact O-N 2.96Å; D89-T93 PolarHBondContact O-OG1 2.9Å
90	E	89.5	Confident	88.4	Confident	152 Å²	152	65.7 Å²	65.7	71%	0.71	33%	0.334	S	S	*	.	H	α-helix	trans	-69.2	-31.2	-178.3	-67.9	-138.5	141.5	0	0	113.4	K88 T93 A94	K88-E90 PolarHBondContact O-N 3.17Å; E90-T93 WeakPolarHBondContact O-CB 3.47Å; E90-T93 PolarHBondContact O-N 2.87Å; E90-A94 WeakPolarHBondContact O-CB 3.43Å; E90-A94 PolarHBondContact O-N 3.38Å
91	K	89.3	Confident	87.4	Confident	151 Å²	151	67.3 Å²	67.3	66%	0.657	35%	0.351	S	S	*	.	H	α-helix	trans	-69.6	-43.4	177.6	-175.6	-175.6	176.7	-173.3	0	110.1	D89 T93 A94 Q95	D89-K91 PolarHBondContact O-N 3.41Å; D89-K91 VanDerWaalsContact OD1-CA 3.31Å; D89-K91 WeakPolarHBondContact OD1-CA 3.46Å; D89-K91 VanDerWaalsContact OD1-CB 3.22Å; D89-K91 WeakPolarHBondContact OD1-CB 3.44Å; D89-K91 PolarHBondContact OD1-N 3.45Å; K91-T93 VanDerWaalsContact C-N 3.35Å; K91-A94 PolarHBondContact O-N 2.99Å; K91-Q95 WeakPolarHBondContact O-CG 3.21Å; K91-Q95 PolarHBondContact O-N 3.13Å
92	L	88.8	Confident	86.6	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-43.4	174.8	-163.9	76	0	0	0	111.2	Y39 L46 P87 D89 A94 Q95 I96	Y39-L92 HydrophobicContact CD2-CD2 3.25Å; Y39-L92 HydrophobicContact CD2-CG 4.45Å; Y39-L92 HydrophobicContact CE2-CD2 3.87Å; Y39-L92 HydrophobicContact CG-CD2 3.63Å; Y39-L92 HydrophobicContact CG-CG 4.43Å; L46-L92 HydrophobicContact CB-CD1 3.99Å; P87-L92 HydrophobicContact CB-CB 4.5Å; P87-L92 HydrophobicContact CB-CD2 3.77Å; P87-L92 HydrophobicContact CB-CG 4.49Å; P87-L92 HydrophobicContact CG-CD2 4.07Å; D89-L92 HydrophobicContact CB-CB 3.94Å; D89-L92 PolarHBondContact O-N 3.36Å; D89-L92 PolarHBondContact OD1-N 2.93Å; L92-A94 VanDerWaalsContact C-N 3.32Å; L92-A94 PolarHBondContact O-N 3.42Å; L92-Q95 PolarHBondContact O-N 3.3Å; L92-I96 HydrophobicContact CD2-CD1 4.43Å; L92-I96 HydrophobicContact CG-CD1 4.04Å; L92-I96 WeakPolarHBondContact O-CG1 3.44Å; L92-I96 PolarHBondContact O-N 2.77Å
93	T	91	Very high	86.3	Confident	7 Å²	7	75.7 Å²	75.7	4%	0.043	40%	0.396	C	S	.	.	H	α-helix	trans	-53.8	-50	173	-63.7	0	0	0	0	110.9	K86 P87 D89 E90 K91 I96 Q97 W104	K86-T93 HydrophobicContact CD-CG2 4.4Å; K86-T93 HydrophobicContact CG-CG2 4.24Å; P87-T93 PolarHBondContact O-OG1 3.38Å; P87-T93 VanDerWaalsContact O-OG1 3.1Å; D89-T93 WeakPolarHBondContact O-CB 3.41Å; D89-T93 PolarHBondContact O-N 2.96Å; D89-T93 PolarHBondContact O-OG1 2.9Å; E90-T93 WeakPolarHBondContact O-CB 3.47Å; E90-T93 PolarHBondContact O-N 2.87Å; K91-T93 VanDerWaalsContact C-N 3.35Å; T93-I96 PolarHBondContact O-N 3.03Å; T93-Q97 WeakPolarHBondContact O-CB 3.44Å; T93-Q97 WeakPolarHBondContact O-CG 3.39Å; T93-Q97 PolarHBondContact O-N 2.99Å; T93-W104 HydrophobicContact CG2-CH2 3.58Å; T93-W104 HydrophobicContact CG2-CZ2 3.87Å
94	A	89.2	Confident	86.1	Confident	52 Å²	52	74.6 Å²	74.6	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-44	-179.5	0	0	0	0	0	111.9	E90 K91 L92 I96 Q97 E98	E90-A94 WeakPolarHBondContact O-CB 3.43Å; E90-A94 PolarHBondContact O-N 3.38Å; K91-A94 PolarHBondContact O-N 2.99Å; L92-A94 VanDerWaalsContact C-N 3.32Å; L92-A94 PolarHBondContact O-N 3.42Å; A94-I96 PolarHBondContact O-N 3.4Å; A94-Q97 PolarHBondContact O-N 2.9Å; A94-E98 WeakPolarHBondContact O-CB 3.2Å; A94-E98 PolarHBondContact O-N 3.4Å
95	Q	88.6	Confident	86.3	Confident	66 Å²	66	79 Å²	79	31%	0.308	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-44.3	178	-73.4	177.3	-0.2	0	0	112.4	L46 K91 L92 E98 K99	L46-Q95 HydrophobicContact CD2-CB 4.12Å; K91-Q95 WeakPolarHBondContact O-CG 3.21Å; K91-Q95 PolarHBondContact O-N 3.13Å; L92-Q95 PolarHBondContact O-N 3.3Å; Q95-E98 PolarHBondContact O-N 3.22Å; Q95-K99 PolarHBondContact O-N 2.77Å
96	I	87.1	Confident	86.6	Confident	6 Å²	6	77.4 Å²	77.4	3%	0.031	38%	0.38	C	S	.	.	H	α-helix	trans	-66.2	-41.3	177.6	-67.3	167.6	0	0	0	110	Y39 L46 P87 L92 T93 A94 E98 K99 S100 W104 V125	Y39-I96 HydrophobicContact CD1-CD1 3.68Å; Y39-I96 HydrophobicContact CE1-CD1 3.98Å; Y39-I96 HydrophobicContact CG-CD1 4.25Å; L46-I96 HydrophobicContact CD1-CG1 4.12Å; P87-I96 HydrophobicContact CG-CD1 3.92Å; L92-I96 HydrophobicContact CD2-CD1 4.43Å; L92-I96 HydrophobicContact CG-CD1 4.04Å; L92-I96 WeakPolarHBondContact O-CG1 3.44Å; L92-I96 PolarHBondContact O-N 2.77Å; T93-I96 PolarHBondContact O-N 3.03Å; A94-I96 PolarHBondContact O-N 3.4Å; I96-E98 PolarHBondContact O-N 3.45Å; I96-K99 PolarHBondContact O-N 3.25Å; I96-S100 WeakPolarHBondContact O-CA 3.38Å; I96-S100 VanDerWaalsContact O-CB 3.29Å; I96-S100 WeakPolarHBondContact O-CB 3.37Å; I96-S100 PolarHBondContact O-N 3.36Å; I96-W104 HydrophobicContact CG2-CZ3 4.07Å; I96-V125 HydrophobicContact CD1-CG2 4.28Å; I96-V125 HydrophobicContact CG2-CG1 4.26Å; I96-V125 HydrophobicContact CG2-CG2 4.41Å
97	Q	88.1	Confident	86.9	Confident	67 Å²	67	72.5 Å²	72.5	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-39.5	177.8	-78.6	-178	-25.2	0	0	113.4	T93 A94 G101 K102 W104	T93-Q97 WeakPolarHBondContact O-CB 3.44Å; T93-Q97 WeakPolarHBondContact O-CG 3.39Å; T93-Q97 PolarHBondContact O-N 2.99Å; A94-Q97 PolarHBondContact O-N 2.9Å; Q97-G101 WeakPolarHBondContact CA-O 3.24Å; Q97-G101 VanDerWaalsContact O-CA 3.29Å; Q97-G101 WeakPolarHBondContact O-CA 3.29Å; Q97-G101 PolarHBondContact O-N 3.08Å; Q97-K102 HydrophobicContact CG-CG 4.44Å; Q97-W104 HydrophobicContact CG-CH2 3.63Å; Q97-W104 HydrophobicContact CG-CZ2 4.01Å; Q97-W104 VanDerWaalsContact NE2-CZ2 3.3Å
98	E	84.9	Confident	87.2	Confident	174 Å²	174	72.5 Å²	72.5	81%	0.813	36%	0.359	S	S	*	.	H	α-helix	trans	-64.6	-42.1	179.3	-173.3	177.2	-170.7	0	0	111.5	A94 Q95 I96	A94-E98 WeakPolarHBondContact O-CB 3.2Å; A94-E98 PolarHBondContact O-N 3.4Å; Q95-E98 PolarHBondContact O-N 3.22Å; I96-E98 PolarHBondContact O-N 3.45Å
99	K	78.8	Confident	87.5	Confident	116 Å²	116	63.8 Å²	63.8	50%	0.504	32%	0.321	S	S	.	.	H	α-helix	trans	-78.2	-40.4	179.2	-101.1	179.7	144.3	-150.3	0	114.2	D37 Q95 I96	D37-K99 IonicContact OD1-NZ 3.39Å; D37-K99 PolarHBondContact OD1-NZ 2.91Å; D37-K99 VanDerWaalsContact OD1-NZ 3.1Å; D37-K99 IonicContact OD2-NZ 3.52Å; D37-K99 PolarHBondContact OD2-NZ 3.46Å; Q95-K99 PolarHBondContact O-N 2.77Å; I96-K99 PolarHBondContact O-N 3.25Å
100	S	73.5	Confident	87.9	Confident	18 Å²	18	60.8 Å²	60.8	13%	0.126	31%	0.305	C	S	.	.	H	α-helix	trans	-130.3	7.9	-158.3	-70.4	0	0	0	0	113.1	I96 R106	I96-S100 WeakPolarHBondContact O-CA 3.38Å; I96-S100 VanDerWaalsContact O-CB 3.29Å; I96-S100 WeakPolarHBondContact O-CB 3.37Å; I96-S100 PolarHBondContact O-N 3.36Å; S100-R106 VanDerWaalsContact CB-CZ 3.5Å; S100-R106 VanDerWaalsContact CB-NH2 3.29Å; S100-R106 PolarHBondContact O-NH1 2.83Å; S100-R106 PolarHBondContact OG-NH2 3.13Å; S100-R106 VanDerWaalsContact OG-NH2 3.16Å
101	G	74.8	Confident	88.2	Confident	36 Å²	36	53.5 Å²	53.5	37%	0.371	27%	0.271	S	S	.	.			trans	72	-171.9	178.6	0	0	0	0	0	113.9	Q97	Q97-G101 WeakPolarHBondContact CA-O 3.24Å; Q97-G101 VanDerWaalsContact O-CA 3.29Å; Q97-G101 WeakPolarHBondContact O-CA 3.29Å; Q97-G101 PolarHBondContact O-N 3.08Å
102	K	78.2	Confident	88.5	Confident	167 Å²	167	46.6 Å²	46.6	73%	0.726	24%	0.242	S	C	*	.	S	Bend	trans	-93.1	-0.5	-165.3	-61.4	-176.6	179.9	-179.8	0	115.5	Q97 W104	Q97-K102 HydrophobicContact CG-CG 4.44Å; K102-W104 PolarHBondContact O-N 2.89Å
103	S	86.5	Confident	88.6	Confident	58 Å²	58	46.8 Å²	46.8	41%	0.406	24%	0.244	S	C	.	.			trans	-84.2	113.6	-175	-167.4	0	0	0	0	111.3	D105	S103-D105 VanDerWaalsContact C-N 3.35Å
104	W	89.7	Confident	88.4	Confident	52 Å²	52	51 Å²	51	20%	0.197	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-80.6	-16.4	180	-53.3	118.7	0	0	0	113.6	K86 T93 I96 Q97 K102 R106 I107	K86-W104 HydrophobicContact CB-CD2 4.09Å; K86-W104 HydrophobicContact CB-CG 4.33Å; K86-W104 HydrophobicContact CB-CZ2 4.3Å; K86-W104 HydrophobicContact CD-CZ2 4.29Å; K86-W104 HydrophobicContact CG-CD2 4.39Å; K86-W104 HydrophobicContact CG-CH2 4.14Å; K86-W104 HydrophobicContact CG-CZ2 3.71Å; T93-W104 HydrophobicContact CG2-CH2 3.58Å; T93-W104 HydrophobicContact CG2-CZ2 3.87Å; I96-W104 HydrophobicContact CG2-CZ3 4.07Å; Q97-W104 HydrophobicContact CG-CH2 3.63Å; Q97-W104 HydrophobicContact CG-CZ2 4.01Å; Q97-W104 VanDerWaalsContact NE2-CZ2 3.3Å; K102-W104 PolarHBondContact O-N 2.89Å; W104-R106 PolarHBondContact O-N 3.09Å; W104-I107 HydrophobicContact CE3-CD1 3.81Å; W104-I107 HydrophobicContact CZ3-CD1 4.47Å; W104-I107 WeakPolarHBondContact O-CB 3.49Å; W104-I107 WeakPolarHBondContact O-CG1 3.49Å; W104-I107 PolarHBondContact O-N 3.12Å
105	D	90.7	Very high	88.4	Confident	105 Å²	105	50.5 Å²	50.5	56%	0.561	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-62.8	-7.9	175.7	-53.6	-20.1	0	0	0	113.4	S103 I107 A129 A132	S103-D105 VanDerWaalsContact C-N 3.35Å; D105-I107 VanDerWaalsContact C-N 3.32Å; D105-A129 HydrophobicContact CB-CB 3.87Å; D105-A132 WeakPolarHBondContact O-CB 3.44Å
106	R	93.5	Very high	88.5	Confident	38 Å²	38	48 Å²	48	14%	0.143	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-79	-12.8	173.6	-62.5	177.5	52.9	164	-5.7	113.4	S100 W104 V125 A126 K127 A129 A132	S100-R106 VanDerWaalsContact CB-CZ 3.5Å; S100-R106 VanDerWaalsContact CB-NH2 3.29Å; S100-R106 PolarHBondContact O-NH1 2.83Å; S100-R106 PolarHBondContact OG-NH2 3.13Å; S100-R106 VanDerWaalsContact OG-NH2 3.16Å; W104-R106 PolarHBondContact O-N 3.09Å; R106-V125 HydrophobicContact CB-CG1 4.34Å; R106-A126 PolarHBondContact NE-O 3.48Å; R106-A126 PolarHBondContact NH2-O 3.29Å; R106-A126 WeakPolarHBondContact O-CB 3.49Å; R106-A126 PolarHBondContact O-N 3.12Å; R106-K127 PolarHBondContact NE-O 3.4Å; R106-K127 PolarHBondContact NH1-O 3.01Å; R106-K127 VanDerWaalsContact NH1-O 3.1Å; R106-K127 VanDerWaalsContact NH2-C 3.3Å; R106-K127 VanDerWaalsContact NH2-CA 3.33Å; R106-K127 PolarHBondContact NH2-O 3.22Å; R106-A129 HydrophobicContact CG-CB 4.47Å; R106-A132 WeakPolarHBondContact O-CB 3.32Å
107	I	94.8	Very high	88.8	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.4	-175.3	-56.3	176.5	0	0	0	109.1	Y39 S83 G84 A85 W104 D105 H123 M124 V125	Y39-I107 HydrophobicContact CE1-CD1 4.31Å; Y39-I107 HydrophobicContact CE1-CG2 4.15Å; S83-I107 CarbonylContact C-O 3.39Å; S83-I107 WeakPolarHBondContact CA-O 3.31Å; G84-I107 PolarHBondContact N-O 3.08Å; A85-I107 WeakPolarHBondContact O-CD1 3.22Å; W104-I107 HydrophobicContact CE3-CD1 3.81Å; W104-I107 HydrophobicContact CZ3-CD1 4.47Å; W104-I107 WeakPolarHBondContact O-CB 3.49Å; W104-I107 WeakPolarHBondContact O-CG1 3.49Å; W104-I107 PolarHBondContact O-N 3.12Å; D105-I107 VanDerWaalsContact C-N 3.32Å; I107-H123 HydrophobicContact CG2-CB 4.44Å; I107-M124 CarbonylContact C-O 3.38Å; I107-M124 WeakPolarHBondContact CA-O 3.44Å; I107-V125 HydrophobicContact CG1-CG2 4.32Å
108	V	96.2	Very high	89	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.9	168.3	-177.8	0	0	0	0	107.7	F36 V81 I110 H123 M124 A132 I136	F36-V108 HydrophobicContact CE1-CG2 4.24Å; V81-V108 HydrophobicContact CG1-CG1 3.72Å; V108-I110 HydrophobicContact CG1-CG1 4.28Å; V108-H123 WeakPolarHBondContact O-CA 3.34Å; V108-M124 PolarHBondContact N-O 2.86Å; V108-M124 PolarHBondContact O-N 3.41Å; V108-A132 HydrophobicContact CG2-CB 3.8Å; V108-I136 HydrophobicContact CB-CG1 4.34Å; V108-I136 HydrophobicContact CG1-CG1 3.84Å; V108-I136 HydrophobicContact CG2-CD1 4.18Å; V108-I136 HydrophobicContact CG2-CG1 3.97Å
109	T	96	Very high	89.4	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.1	174.2	-61.2	0	0	0	0	109	V81 R82 G84 Y121 H123	V81-T109 CarbonylContact C-O 3.5Å; V81-T109 WeakPolarHBondContact CA-O 3.29Å; R82-T109 PolarHBondContact N-O 2.82Å; R82-T109 PolarHBondContact O-N 3.5Å; G84-T109 WeakPolarHBondContact CA-OG1 3.41Å; T109-Y121 HydrophobicContact CG2-CD1 3.96Å; T109-H123 WeakPolarHBondContact CG2-ND1 3.25Å; T109-H123 PolarHBondContact OG1-ND1 3.18Å
110	I	96.5	Very high	90.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117	176.4	-57.8	167.7	0	0	0	107.7	I61 L73 I78 V81 V108 T122 M124 L139	I61-I110 HydrophobicContact CD1-CD1 3.82Å; L73-I110 HydrophobicContact CD2-CG2 3.76Å; I78-I110 HydrophobicContact CB-CG2 4.5Å; I78-I110 HydrophobicContact CD1-CG2 3.7Å; I78-I110 HydrophobicContact CG1-CG2 3.85Å; I78-I110 HydrophobicContact CG2-CG2 3.87Å; V81-I110 HydrophobicContact CG1-CG1 4.21Å; V81-I110 HydrophobicContact CG2-CG1 4.44Å; V81-I110 HydrophobicContact CG2-CG2 4.4Å; V108-I110 HydrophobicContact CG1-CG1 4.28Å; I110-T122 PolarHBondContact N-O 3.25Å; I110-T122 PolarHBondContact O-N 3.27Å; I110-M124 HydrophobicContact CD1-CE 4.2Å; I110-M124 HydrophobicContact CD1-SD 4.12Å; I110-L139 HydrophobicContact CD1-CD1 4.42Å
111	C	95.7	Very high	91.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126	176.8	-62.1	0	0	0	0	108.9	I78 S79 D80 I119 Y121	I78-C111 CarbonylContact C-O 3.58Å; I78-C111 WeakPolarHBondContact CA-O 3.42Å; S79-C111 PolarHBondContact N-O 3.32Å; S79-C111 PolarHBondContact OG-O 2.97Å; D80-C111 HydrophobicContact CB-CB 4.17Å; D80-C111 PolarHBondContact N-O 3.21Å; D80-C111 PolarHBondContact O-N 3.18Å; C111-I119 HydrophobicContact CB-CG2 3.98Å; C111-Y121 VanDerWaalsContact SG-CD1 3.57Å; C111-Y121 VanDerWaalsContact SG-CE1 3.52Å
112	S	95.2	Very high	92	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.9	-179.1	61	0	0	0	0	113	Q77 I119 N120	Q77-S112 CarbonylContact O-C 3.58Å; Q77-S112 WeakPolarHBondContact O-CA 3.43Å; Q77-S112 VanDerWaalsContact O-CB 3.3Å; Q77-S112 WeakPolarHBondContact O-CB 3.38Å; S112-I119 CarbonylContact O-C 3.57Å; S112-N120 PolarHBondContact N-O 3.36Å; S112-N120 PolarHBondContact O-N 3.21Å
113	G	91.7	Very high	92.8	Very high	6 Å²	6	39.6 Å²	39.6	6%	0.062	21%	0.206	C	C	.	.			trans	-166.4	160.5	-179	0	0	0	0	0	112.4	Q77	Q77-G113 PolarHBondContact O-N 3.16Å
114	L	87.3	Confident	93.2	Very high	94 Å²	94	37 Å²	37	49%	0.492	19%	0.187	S	C	.	.	S	Bend	trans	-100.5	1.1	169.3	-68.6	175.5	0	0	0	112.3	Q77 F843	Q77-L114 HydrophobicContact CG-CD2 3.95Å; L114-F843 VanDerWaalsContact C-CE2 3.47Å; L114-F843 WeakPolarHBondContact O-CD2 3.34Å; L114-F843 VanDerWaalsContact O-CE2 3.31Å; L114-F843 WeakPolarHBondContact O-CE2 3.49Å
115	D	88.5	Confident	93.5	Very high	43 Å²	43	34.8 Å²	34.8	23%	0.23	18%	0.18	C	C	.	.	S	Bend	trans	-152.5	174.8	174.3	66	68.5	0	0	0	108.5	V117 N118	D115-V117 VanDerWaalsContact C-N 3.34Å; D115-V117 WeakPolarHBondContact OD1-CA 3.47Å; D115-V117 WeakPolarHBondContact OD1-CB 3.48Å; D115-V117 PolarHBondContact OD1-N 3.16Å; D115-N118 PolarHBondContact OD1-N 3.24Å; D115-N118 PolarHBondContact OD1-ND2 3.24Å; D115-N118 PolarHBondContact OD2-ND2 2.86Å
116	L	90.7	Very high	93.7	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.073	15%	0.153	C	C	.	.	S	Bend	trans	-84.8	-7.4	-174.9	-57.4	179	0	0	0	113.7	M354 Q357 A361 F686	L116-M354 HydrophobicContact CB-SD 4.42Å; L116-Q357 HydrophobicContact CB-CB 4.24Å; L116-Q357 HydrophobicContact CD2-CB 4.26Å; L116-A361 HydrophobicContact CD1-CB 4.31Å; L116-A361 HydrophobicContact CD2-CB 4.07Å; L116-F686 HydrophobicContact CD1-CB 4.21Å; L116-F686 HydrophobicContact CD1-CD1 3.61Å; L116-F686 HydrophobicContact CD1-CG 4.37Å
117	V	93.3	Very high	93.6	Very high	39 Å²	39	33.1 Å²	33.1	24%	0.236	17%	0.168	C	C	.	.	S	Bend	trans	-104.2	-49.6	-172.2	172.9	0	0	0	0	111.2	D115 I119 I342 M354 Q687	D115-V117 VanDerWaalsContact C-N 3.34Å; D115-V117 WeakPolarHBondContact OD1-CA 3.47Å; D115-V117 WeakPolarHBondContact OD1-CB 3.48Å; D115-V117 PolarHBondContact OD1-N 3.16Å; V117-I119 PolarHBondContact O-N 2.98Å; V117-I342 HydrophobicContact CG1-CB 4.1Å; V117-M354 HydrophobicContact CG2-CE 3.68Å; V117-Q687 HydrophobicContact CG2-CB 3.8Å
118	N	92.2	Very high	93.5	Very high	104 Å²	104	35.9 Å²	35.9	56%	0.556	18%	0.183	S	C	*	.	S	Bend	trans	-90.3	79.9	-175.3	-56.5	-61.4	0	0	0	109.9	D115	D115-N118 PolarHBondContact OD1-N 3.24Å; D115-N118 PolarHBondContact OD1-ND2 3.24Å; D115-N118 PolarHBondContact OD2-ND2 2.86Å
119	I	93.9	Very high	93.3	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.108	20%	0.197	C	C	.	.			trans	-92.2	124.8	-179.9	-52	-55	0	0	0	110.6	C111 S112 V117 Y121 E353 Q357	C111-I119 HydrophobicContact CB-CG2 3.98Å; S112-I119 CarbonylContact O-C 3.57Å; V117-I119 PolarHBondContact O-N 2.98Å; I119-Y121 HydrophobicContact CB-CE2 4.45Å; I119-Y121 HydrophobicContact CG2-CE1 4.18Å; I119-Y121 HydrophobicContact CG2-CE2 4.3Å; I119-Y121 WeakPolarHBondContact O-CE2 3.38Å; I119-E353 HydrophobicContact CG1-CG 4.5Å; I119-Q357 HydrophobicContact CD1-CG 3.91Å; I119-Q357 HydrophobicContact CG1-CG 4.01Å
120	N	93.5	Very high	93.3	Very high	108 Å²	108	44.9 Å²	44.9	58%	0.578	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.4	171.2	-64.1	-36.8	0	0	0	110.3	S112	S112-N120 PolarHBondContact N-O 3.36Å; S112-N120 PolarHBondContact O-N 3.21Å
121	Y	93.3	Very high	93.2	Very high	100 Å²	100	45.6 Å²	45.6	39%	0.392	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.4	178.1	-58.5	-87.4	0	0	0	110.1	T109 C111 I119	T109-Y121 HydrophobicContact CG2-CD1 3.96Å; C111-Y121 VanDerWaalsContact SG-CD1 3.57Å; C111-Y121 VanDerWaalsContact SG-CE1 3.52Å; I119-Y121 HydrophobicContact CB-CE2 4.45Å; I119-Y121 HydrophobicContact CG2-CE1 4.18Å; I119-Y121 HydrophobicContact CG2-CE2 4.3Å; I119-Y121 WeakPolarHBondContact O-CE2 3.38Å
122	T	94.1	Very high	93.3	Very high	21 Å²	21	45.6 Å²	45.6	13%	0.129	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.2	170.6	-60.8	0	0	0	0	108.9	R38 W63 I110 M124	R38-T122 HydrophobicContact CG-CG2 4.41Å; W63-T122 HydrophobicContact CH2-CG2 4.27Å; W63-T122 HydrophobicContact CZ2-CG2 4.32Å; I110-T122 PolarHBondContact N-O 3.25Å; I110-T122 PolarHBondContact O-N 3.27Å; T122-M124 HydrophobicContact CG2-CE 3.92Å; T122-M124 HydrophobicContact CG2-CG 4.41Å
123	H	95.3	Very high	93.3	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.065	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.7	-178.7	-52.2	-76.4	0	0	0	111.3	R38 Y39 E41 I107 V108 T109	R38-H123 WeakPolarHBondContact CA-O 3.46Å; R38-H123 WeakPolarHBondContact CG-O 3.38Å; Y39-H123 HydrophobicContact CD1-CB 3.8Å; Y39-H123 HydrophobicContact CD2-CB 3.96Å; Y39-H123 HydrophobicContact CE1-CB 3.35Å; Y39-H123 HydrophobicContact CE2-CB 3.54Å; Y39-H123 AromaticContact CE2-CD2 3.45Å; Y39-H123 VanDerWaalsContact CE2-CD2 3.45Å; Y39-H123 WeakPolarHBondContact CE2-CD2 3.26Å; Y39-H123 AromaticContact CE2-CG 3.53Å; Y39-H123 HydrophobicContact CG-CB 4.09Å; Y39-H123 AromaticContact CZ-CD2 3.89Å; Y39-H123 AromaticContact CZ-CG 3.45Å; Y39-H123 VanDerWaalsContact CZ-CG 3.45Å; Y39-H123 PolarHBondContact N-O 3.49Å; E41-H123 IonicContact OE2-NE2 3.08Å; I107-H123 HydrophobicContact CG2-CB 4.44Å; V108-H123 WeakPolarHBondContact O-CA 3.34Å; T109-H123 WeakPolarHBondContact CG2-ND1 3.25Å; T109-H123 PolarHBondContact OG1-ND1 3.18Å
124	M	95.2	Very high	93.6	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.02	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.6	-179.9	-62.3	-175	175.4	0	0	109.8	F36 D37 V52 W63 I107 V108 I110 T122	F36-M124 HydrophobicContact CB-CB 4.13Å; F36-M124 HydrophobicContact CD1-CB 3.69Å; F36-M124 HydrophobicContact CE1-CB 4.44Å; F36-M124 HydrophobicContact CG-CB 4.16Å; D37-M124 CarbonylContact O-C 3.51Å; D37-M124 WeakPolarHBondContact O-CA 3.27Å; V52-M124 HydrophobicContact CG1-CE 4.21Å; V52-M124 HydrophobicContact CG1-SD 3.99Å; V52-M124 HydrophobicContact CG2-CE 4.24Å; V52-M124 HydrophobicContact CG2-SD 3.85Å; W63-M124 HydrophobicContact CD2-CE 3.72Å; W63-M124 HydrophobicContact CE3-CE 3.55Å; W63-M124 HydrophobicContact CG-CE 4.29Å; W63-M124 HydrophobicContact CH2-CE 4.35Å; W63-M124 HydrophobicContact CZ2-CE 4.49Å; W63-M124 HydrophobicContact CZ3-CE 3.89Å; I107-M124 CarbonylContact C-O 3.38Å; I107-M124 WeakPolarHBondContact CA-O 3.44Å; V108-M124 PolarHBondContact N-O 2.86Å; V108-M124 PolarHBondContact O-N 3.41Å; I110-M124 HydrophobicContact CD1-CE 4.2Å; I110-M124 HydrophobicContact CD1-SD 4.12Å; T122-M124 HydrophobicContact CG2-CE 3.92Å; T122-M124 HydrophobicContact CG2-CG 4.41Å
125	V	95.1	Very high	94	Very high	5 Å²	5	47 Å²	47	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110.8	-179.8	-169.8	0	0	0	0	108.6	F36 D37 Y39 I96 R106 I107	F36-V125 WeakPolarHBondContact CA-O 3.35Å; D37-V125 HydrophobicContact CB-CB 4.29Å; D37-V125 PolarHBondContact N-O 3.02Å; D37-V125 VanDerWaalsContact N-O 3.09Å; D37-V125 PolarHBondContact O-N 3.31Å; Y39-V125 HydrophobicContact CD1-CG2 3.91Å; Y39-V125 HydrophobicContact CE1-CG2 4.03Å; I96-V125 HydrophobicContact CD1-CG2 4.28Å; I96-V125 HydrophobicContact CG2-CG1 4.26Å; I96-V125 HydrophobicContact CG2-CG2 4.41Å; R106-V125 HydrophobicContact CB-CG1 4.34Å; I107-V125 HydrophobicContact CG1-CG2 4.32Å
126	A	94.8	Very high	94.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	23%	0.233	C	C	.	.			trans	-72.6	166.9	176.4	0	0	0	0	0	111.3	F36 R106 D128 T131 A132	F36-A126 HydrophobicContact CD1-CB 3.98Å; F36-A126 HydrophobicContact CE1-CB 3.49Å; F36-A126 VanDerWaalsContact CE1-CB 3.49Å; F36-A126 HydrophobicContact CZ-CB 4.21Å; R106-A126 PolarHBondContact NE-O 3.48Å; R106-A126 PolarHBondContact NH2-O 3.29Å; R106-A126 WeakPolarHBondContact O-CB 3.49Å; R106-A126 PolarHBondContact O-N 3.12Å; A126-D128 VanDerWaalsContact C-N 3.31Å; A126-D128 WeakPolarHBondContact CB-O 3.28Å; A126-D128 PolarHBondContact O-N 3.31Å; A126-T131 HydrophobicContact CB-CG2 4.18Å; A126-A132 HydrophobicContact CB-CB 3.82Å
127	K	91.8	Very high	94.6	Very high	106 Å²	106	51 Å²	51	46%	0.461	26%	0.259	S	S	.	.	S	Bend	trans	-65.1	-28.6	174.4	68.6	-178.2	-179.3	-149.8	0	114.3	E34 R106 T131	E34-K127 VanDerWaalsContact CD-NZ 3.3Å; E34-K127 IonicContact OE1-NZ 2.62Å; E34-K127 PolarHBondContact OE1-NZ 3.41Å; E34-K127 IonicContact OE2-NZ 3.91Å; E34-K127 PolarHBondContact OE2-NZ 2.68Å; R106-K127 PolarHBondContact NE-O 3.4Å; R106-K127 PolarHBondContact NH1-O 3.01Å; R106-K127 VanDerWaalsContact NH1-O 3.1Å; R106-K127 VanDerWaalsContact NH2-C 3.3Å; R106-K127 VanDerWaalsContact NH2-CA 3.33Å; R106-K127 PolarHBondContact NH2-O 3.22Å; K127-T131 WeakPolarHBondContact CE-OG1 3.49Å
128	D	92.6	Very high	94.7	Very high	60 Å²	60	49.6 Å²	49.6	32%	0.321	25%	0.251	S	S	.	.	S	Bend	trans	-157.3	169	178.9	55.4	49.6	0	0	0	110.5	A126 E130 T131 A132	A126-D128 VanDerWaalsContact C-N 3.31Å; A126-D128 WeakPolarHBondContact CB-O 3.28Å; A126-D128 PolarHBondContact O-N 3.31Å; D128-E130 VanDerWaalsContact C-N 3.32Å; D128-E130 PolarHBondContact OD1-N 3.36Å; D128-T131 WeakPolarHBondContact OD1-CB 3.28Å; D128-T131 PolarHBondContact OD1-N 3.06Å; D128-T131 PolarHBondContact OD1-OG1 3.43Å; D128-A132 PolarHBondContact O-N 3.35Å
129	A	93.4	Very high	94.9	Very high	37 Å²	37	44.7 Å²	44.7	31%	0.306	22%	0.224	S	C	.	.	H	α-helix	trans	-71.1	-28.7	-175.5	0	0	0	0	0	112.5	D105 R106 A132 S133	D105-A129 HydrophobicContact CB-CB 3.87Å; R106-A129 HydrophobicContact CG-CB 4.47Å; A129-A132 PolarHBondContact O-N 3Å; A129-S133 WeakPolarHBondContact O-CB 3.49Å; A129-S133 PolarHBondContact O-N 3.25Å
130	E	94.9	Very high	94.9	Very high	161 Å²	161	47.7 Å²	47.7	75%	0.752	23%	0.234	S	C	*	.	H	α-helix	trans	-65.8	-45.7	177.6	-173.5	174.8	-175.7	0	0	110.6	D128 S133 F134	D128-E130 VanDerWaalsContact C-N 3.32Å; D128-E130 PolarHBondContact OD1-N 3.36Å; E130-S133 PolarHBondContact O-N 2.9Å; E130-F134 WeakPolarHBondContact O-CB 3.49Å; E130-F134 PolarHBondContact O-N 2.96Å
131	T	95.5	Very high	94.8	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.086	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-45.8	174.9	-54.8	0	0	0	0	110.9	F36 A126 K127 D128 S133 F134 W135	F36-T131 HydrophobicContact CZ-CG2 4.46Å; A126-T131 HydrophobicContact CB-CG2 4.18Å; K127-T131 WeakPolarHBondContact CE-OG1 3.49Å; D128-T131 WeakPolarHBondContact OD1-CB 3.28Å; D128-T131 PolarHBondContact OD1-N 3.06Å; D128-T131 PolarHBondContact OD1-OG1 3.43Å; T131-S133 PolarHBondContact O-N 3.18Å; T131-F134 PolarHBondContact O-N 2.76Å; T131-W135 WeakPolarHBondContact O-CB 3.26Å; T131-W135 PolarHBondContact O-N 2.98Å
132	A	96	Very high	94.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-48.2	176.4	0	0	0	0	0	111.8	D105 R106 V108 A126 D128 A129 F134 W135 I136	D105-A132 WeakPolarHBondContact O-CB 3.44Å; R106-A132 WeakPolarHBondContact O-CB 3.32Å; V108-A132 HydrophobicContact CG2-CB 3.8Å; A126-A132 HydrophobicContact CB-CB 3.82Å; D128-A132 PolarHBondContact O-N 3.35Å; A129-A132 PolarHBondContact O-N 3Å; A132-F134 PolarHBondContact O-N 3.3Å; A132-W135 PolarHBondContact O-N 3.19Å; A132-I136 WeakPolarHBondContact O-CB 3.32Å; A132-I136 WeakPolarHBondContact O-CD1 3.45Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.08Å; A132-I136 PolarHBondContact O-N 2.95Å
133	S	96.3	Very high	94.8	Very high	51 Å²	51	40 Å²	40	36%	0.357	20%	0.204	S	C	.	.	H	α-helix	trans	-61.3	-43.6	178.1	-178.6	0	0	0	0	112.1	A129 E130 T131 I136 Q137	A129-S133 WeakPolarHBondContact O-CB 3.49Å; A129-S133 PolarHBondContact O-N 3.25Å; E130-S133 PolarHBondContact O-N 2.9Å; T131-S133 PolarHBondContact O-N 3.18Å; S133-I136 PolarHBondContact O-N 3.15Å; S133-Q137 WeakPolarHBondContact O-CG 3.36Å; S133-Q137 PolarHBondContact O-N 3.21Å; S133-Q137 PolarHBondContact OG-NE2 2.82Å
134	F	96.9	Very high	94.5	Very high	81 Å²	81	41.4 Å²	41.4	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-45.6	176.8	178.9	-91.6	0	0	0	111.8	P27 V29 L30 E130 T131 A132 Q137 S138	P27-F134 HydrophobicContact CB-CZ 4.36Å; V29-F134 HydrophobicContact CB-CE1 3.76Å; V29-F134 HydrophobicContact CB-CZ 4.19Å; V29-F134 HydrophobicContact CG1-CD1 4.36Å; V29-F134 HydrophobicContact CG1-CE1 3.83Å; V29-F134 HydrophobicContact CG2-CE1 4.23Å; V29-F134 HydrophobicContact CG2-CZ 4.24Å; L30-F134 HydrophobicContact CD1-CE1 4.03Å; E130-F134 WeakPolarHBondContact O-CB 3.49Å; E130-F134 PolarHBondContact O-N 2.96Å; T131-F134 PolarHBondContact O-N 2.76Å; A132-F134 PolarHBondContact O-N 3.3Å; F134-Q137 PolarHBondContact O-N 3.24Å; F134-S138 WeakPolarHBondContact CE1-OG 3.18Å; F134-S138 WeakPolarHBondContact CZ-OG 3.47Å; F134-S138 WeakPolarHBondContact O-CB 3.46Å; F134-S138 PolarHBondContact O-N 3.35Å; F134-S138 PolarHBondContact O-OG 2.79Å
135	W	97.4	Very high	94.3	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-41.8	177.6	-86.9	75.5	0	0	0	112.1	L30 E34 F36 V52 I61 T131 A132 L139	L30-W135 HydrophobicContact CD2-CE3 4.01Å; L30-W135 HydrophobicContact CD2-CZ3 4.06Å; L30-W135 HydrophobicContact CG-CE3 4.38Å; L30-W135 HydrophobicContact CG-CH2 4.39Å; L30-W135 HydrophobicContact CG-CZ3 4.32Å; E34-W135 HydrophobicContact CB-CZ2 3.83Å; E34-W135 HydrophobicContact CG-CZ2 4.3Å; F36-W135 AromaticContact CE2-CD2 3.9Å; F36-W135 HydrophobicContact CE2-CD2 3.9Å; F36-W135 AromaticContact CE2-CE2 3.66Å; F36-W135 HydrophobicContact CE2-CE3 4.31Å; F36-W135 HydrophobicContact CE2-CG 4.38Å; F36-W135 HydrophobicContact CE2-CH2 4.32Å; F36-W135 AromaticContact CE2-CZ2 3.9Å; F36-W135 HydrophobicContact CE2-CZ2 3.9Å; F36-W135 AromaticContact CE2-NE1 3.96Å; F36-W135 HydrophobicContact CZ-CB 4.36Å; F36-W135 AromaticContact CZ-CD1 3.8Å; F36-W135 AromaticContact CZ-CD2 3.64Å; F36-W135 HydrophobicContact CZ-CD2 3.64Å; F36-W135 AromaticContact CZ-CE2 3.77Å; F36-W135 HydrophobicContact CZ-CE3 4.22Å; F36-W135 AromaticContact CZ-CG 3.68Å; F36-W135 HydrophobicContact CZ-CG 3.68Å; F36-W135 HydrophobicContact CZ-CZ2 4.46Å; F36-W135 AromaticContact CZ-NE1 3.82Å; V52-W135 HydrophobicContact CB-CH2 4.11Å; V52-W135 HydrophobicContact CB-CZ3 4.31Å; V52-W135 HydrophobicContact CG1-CH2 3.94Å; V52-W135 HydrophobicContact CG1-CZ3 3.7Å; V52-W135 WeakPolarHBondContact O-CH2 3.45Å; I61-W135 HydrophobicContact CD1-CZ3 4.25Å; T131-W135 WeakPolarHBondContact O-CB 3.26Å; T131-W135 PolarHBondContact O-N 2.98Å; A132-W135 PolarHBondContact O-N 3.19Å; W135-L139 HydrophobicContact CE3-CD1 4.13Å; W135-L139 HydrophobicContact CE3-CG 4.49Å; W135-L139 VanDerWaalsContact O-CB 3.28Å; W135-L139 WeakPolarHBondContact O-CB 3.39Å; W135-L139 VanDerWaalsContact O-CG 3.27Å; W135-L139 WeakPolarHBondContact O-CG 3.47Å; W135-L139 PolarHBondContact O-N 3.28Å
136	I	96.3	Very high	94	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-53.5	175.2	-72.4	160.8	0	0	0	110.8	V81 V108 A132 S133 S138 R140	V81-I136 HydrophobicContact CG1-CB 4.49Å; V81-I136 HydrophobicContact CG1-CG1 4.19Å; V81-I136 WeakPolarHBondContact O-CG2 3.49Å; V108-I136 HydrophobicContact CB-CG1 4.34Å; V108-I136 HydrophobicContact CG1-CG1 3.84Å; V108-I136 HydrophobicContact CG2-CD1 4.18Å; V108-I136 HydrophobicContact CG2-CG1 3.97Å; A132-I136 WeakPolarHBondContact O-CB 3.32Å; A132-I136 WeakPolarHBondContact O-CD1 3.45Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.08Å; A132-I136 PolarHBondContact O-N 2.95Å; S133-I136 PolarHBondContact O-N 3.15Å; I136-S138 PolarHBondContact O-N 3.38Å; I136-R140 WeakPolarHBondContact O-CB 3.43Å; I136-R140 WeakPolarHBondContact O-CG 3.21Å; I136-R140 PolarHBondContact O-N 3.12Å
137	Q	95	Very high	94	Very high	129 Å²	129	45.3 Å²	45.3	60%	0.603	23%	0.23	S	C	*	.	H	α-helix	trans	-64	-42.9	-177.7	-68.8	174.6	20.7	0	0	111.5	S133 F134 R140 S141	S133-Q137 WeakPolarHBondContact O-CG 3.36Å; S133-Q137 PolarHBondContact O-N 3.21Å; S133-Q137 PolarHBondContact OG-NE2 2.82Å; F134-Q137 PolarHBondContact O-N 3.24Å; Q137-R140 PolarHBondContact O-N 2.98Å; Q137-S141 PolarHBondContact O-N 3.49Å; Q137-S141 VanDerWaalsContact O-N 3.09Å
138	S	95.7	Very high	94	Very high	10 Å²	10	40.9 Å²	40.9	7%	0.07	21%	0.214	C	C	.	.	H	α-helix	trans	-67.1	-45	-179.5	-61.5	0	0	0	0	112	F134 I136 S141	F134-S138 WeakPolarHBondContact CE1-OG 3.18Å; F134-S138 WeakPolarHBondContact CZ-OG 3.47Å; F134-S138 WeakPolarHBondContact O-CB 3.46Å; F134-S138 PolarHBondContact O-N 3.35Å; F134-S138 PolarHBondContact O-OG 2.79Å; I136-S138 PolarHBondContact O-N 3.38Å; S138-S141 WeakPolarHBondContact O-CB 3.23Å; S138-S141 PolarHBondContact O-N 3.32Å; S138-S141 PolarHBondContact O-OG 3.37Å
139	L	95.9	Very high	94	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-42.6	176.4	-73.2	172.1	0	0	0	111.7	L30 V54 I61 L75 V81 I110 W135 S141 L142 T143	L30-L139 HydrophobicContact CD2-CD2 3.6Å; L30-L139 HydrophobicContact CD2-CG 3.84Å; V54-L139 HydrophobicContact CG2-CD2 3.79Å; I61-L139 HydrophobicContact CD1-CD1 3.96Å; I61-L139 HydrophobicContact CD1-CD2 4.12Å; L75-L139 HydrophobicContact CD2-CD2 4.41Å; V81-L139 HydrophobicContact CB-CB 4.41Å; V81-L139 HydrophobicContact CG1-CB 4.22Å; V81-L139 HydrophobicContact CG1-CD1 4.06Å; V81-L139 HydrophobicContact CG2-CB 4.02Å; I110-L139 HydrophobicContact CD1-CD1 4.42Å; W135-L139 HydrophobicContact CE3-CD1 4.13Å; W135-L139 HydrophobicContact CE3-CG 4.49Å; W135-L139 VanDerWaalsContact O-CB 3.28Å; W135-L139 WeakPolarHBondContact O-CB 3.39Å; W135-L139 VanDerWaalsContact O-CG 3.27Å; W135-L139 WeakPolarHBondContact O-CG 3.47Å; W135-L139 PolarHBondContact O-N 3.28Å; L139-S141 PolarHBondContact O-N 2.84Å; L139-L142 WeakPolarHBondContact O-CA 3.17Å; L139-L142 WeakPolarHBondContact O-CB 3.47Å; L139-L142 PolarHBondContact O-N 3.17Å; L139-T143 PolarHBondContact O-N 2.8Å
140	R	93.6	Very high	94	Very high	84 Å²	84	38 Å²	38	32%	0.317	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-32.7	174	-80.4	-178	162.6	167.9	3.2	112.9	D80 V81 I136 Q137 L142 T143	D80-R140 IonicContact OD1-CZ 2.92Å; D80-R140 IonicContact OD1-NE 3.8Å; D80-R140 PolarHBondContact OD1-NE 3.48Å; D80-R140 IonicContact OD1-NH2 3.59Å; D80-R140 PolarHBondContact OD1-NH2 3.31Å; D80-R140 IonicContact OD2-NH2 2.79Å; V81-R140 HydrophobicContact CB-CG 4.2Å; V81-R140 PolarHBondContact O-NE 2.96Å; V81-R140 PolarHBondContact O-NH2 3.4Å; I136-R140 WeakPolarHBondContact O-CB 3.43Å; I136-R140 WeakPolarHBondContact O-CG 3.21Å; I136-R140 PolarHBondContact O-N 3.12Å; Q137-R140 PolarHBondContact O-N 2.98Å; R140-L142 PolarHBondContact O-N 3.3Å; R140-T143 PolarHBondContact O-OG1 2.96Å
141	S	92.3	Very high	94	Very high	57 Å²	57	30.5 Å²	30.5	40%	0.399	16%	0.16	S	C	.	.	H	α-helix	trans	-67.8	-20.2	175.8	82.2	0	0	0	0	113.3	R24 Q137 S138 L139	R24-S141 WeakPolarHBondContact CD-O 3.33Å; R24-S141 PolarHBondContact NH1-O 2.92Å; Q137-S141 PolarHBondContact O-N 3.49Å; Q137-S141 VanDerWaalsContact O-N 3.09Å; S138-S141 WeakPolarHBondContact O-CB 3.23Å; S138-S141 PolarHBondContact O-N 3.32Å; S138-S141 PolarHBondContact O-OG 3.37Å; L139-S141 PolarHBondContact O-N 2.84Å
142	L	94	Very high	94	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-97	-23.4	-179.2	-57.8	175.3	0	0	0	113.1	R24 V26 V54 L75 L139 R140	R24-L142 HydrophobicContact CB-CD2 3.9Å; V26-L142 HydrophobicContact CG1-CD1 4.17Å; V26-L142 HydrophobicContact CG2-CD1 4.15Å; V26-L142 HydrophobicContact CG2-CD2 4.09Å; V54-L142 HydrophobicContact CG1-CD1 4.16Å; L75-L142 HydrophobicContact CD2-CB 4.13Å; L139-L142 WeakPolarHBondContact O-CA 3.17Å; L139-L142 WeakPolarHBondContact O-CB 3.47Å; L139-L142 PolarHBondContact O-N 3.17Å; R140-L142 PolarHBondContact O-N 3.3Å
143	T	92	Very high	93.9	Very high	3 Å²	3	31 Å²	31	2%	0.018	16%	0.164	C	C	.	.	S	Bend	trans	-77.2	170.7	177.7	62.7	0	0	0	0	112.4	R24 L75 I78 L139 R140 N145	R24-T143 PolarHBondContact NH1-O 3.36Å; L75-T143 HydrophobicContact CD2-CG2 4.11Å; I78-T143 HydrophobicContact CB-CG2 3.93Å; I78-T143 HydrophobicContact CG2-CG2 3.69Å; L139-T143 PolarHBondContact O-N 2.8Å; R140-T143 PolarHBondContact O-OG1 2.96Å; T143-N145 PolarHBondContact O-N 2.84Å
144	H	89	Confident	93.9	Very high	43 Å²	43	29.6 Å²	29.6	20%	0.199	15%	0.152	C	C	.	.	S	Bend	trans	51.8	37.6	-175.4	-47.2	-73.5	0	0	0	113.3	R24 S79 T146	R24-H144 PolarHBondContact NH2-O 3.26Å; R24-H144 VanDerWaalsContact NH2-O 3.12Å; S79-H144 PolarHBondContact O-CE1 3.07Å; S79-H144 PolarHBondContact O-NE2 2.97Å; H144-T146 PolarHBondContact O-N 3.36Å
145	N	91.8	Very high	93.8	Very high	27 Å²	27	26.4 Å²	26.4	14%	0.144	14%	0.139	C	C	.	.			trans	-89.9	84.3	176.9	-172.5	-6.9	0	0	0	110.5	W22 T143 K147 A148 A149	W22-N145 PolarHBondContact O-ND2 3.45Å; T143-N145 PolarHBondContact O-N 2.84Å; N145-K147 PolarHBondContact O-N 3.35Å; N145-K147 PolarHBondContact OD1-N 3.43Å; N145-A148 HydrophobicContact CB-CB 3.97Å; N145-A148 VanDerWaalsContact CG-CB 3.49Å; N145-A148 WeakPolarHBondContact ND2-CB 3.24Å; N145-A148 PolarHBondContact O-N 2.81Å; N145-A148 VanDerWaalsContact O-N 3.09Å; N145-A148 PolarHBondContact OD1-N 3.38Å; N145-A149 PolarHBondContact O-N 2.87Å
146	T	89.9	Confident	93.8	Very high	25 Å²	25	26.3 Å²	26.3	15%	0.153	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.1	-179.9	-46.2	0	0	0	0	112.5	H144 A149 N150 E701 N705	H144-T146 PolarHBondContact O-N 3.36Å; T146-A149 PolarHBondContact O-N 3.28Å; T146-N150 PolarHBondContact O-ND2 3.36Å; T146-E701 HydrophobicContact CG2-CG 3.91Å; T146-N705 HydrophobicContact CG2-CB 4.14Å
147	K	93	Very high	93.7	Very high	40 Å²	40	26.3 Å²	26.3	17%	0.174	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-45.6	177	-63.6	-173.8	177.4	-176.4	0	111.9	F20 I21 W22 N145 A149 N150 V151 D319	F20-K147 HydrophobicContact CE2-CB 3.86Å; F20-K147 HydrophobicContact CE2-CD 4.1Å; F20-K147 HydrophobicContact CE2-CG 3.9Å; F20-K147 HydrophobicContact CZ-CB 3.85Å; F20-K147 HydrophobicContact CZ-CG 4.38Å; F20-K147 WeakPolarHBondContact CZ-O 3.41Å; I21-K147 VanDerWaalsContact O-CD 3.25Å; I21-K147 WeakPolarHBondContact O-CD 3.41Å; W22-K147 HydrophobicContact CB-CB 3.72Å; N145-K147 PolarHBondContact O-N 3.35Å; N145-K147 PolarHBondContact OD1-N 3.43Å; K147-A149 PolarHBondContact O-N 2.87Å; K147-N150 PolarHBondContact O-N 3.12Å; K147-V151 PolarHBondContact O-N 3.37Å; K147-D319 WeakPolarHBondContact CE-OD1 3.41Å; K147-D319 WeakPolarHBondContact CE-OD2 3.46Å; K147-D319 IonicContact NZ-OD1 3.97Å; K147-D319 PolarHBondContact NZ-OD1 3.11Å; K147-D319 IonicContact NZ-OD2 3.96Å; K147-D319 PolarHBondContact NZ-OD2 3.41Å
148	A	93	Very high	93.8	Very high	14 Å²	14	24.6 Å²	24.6	12%	0.116	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-62.2	-26.3	176.3	0	0	0	0	0	113	W22 N145 N150	W22-A148 HydrophobicContact CE3-CB 3.99Å; N145-A148 HydrophobicContact CB-CB 3.97Å; N145-A148 VanDerWaalsContact CG-CB 3.49Å; N145-A148 WeakPolarHBondContact ND2-CB 3.24Å; N145-A148 PolarHBondContact O-N 2.81Å; N145-A148 VanDerWaalsContact O-N 3.09Å; N145-A148 PolarHBondContact OD1-N 3.38Å; A148-N150 PolarHBondContact O-N 2.65Å
149	A	91.9	Very high	93.8	Very high	15 Å²	15	24.1 Å²	24.1	12%	0.124	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-73.1	-13.9	173.5	0	0	0	0	0	113.9	N145 T146 K147 R838 P844	N145-A149 PolarHBondContact O-N 2.87Å; T146-A149 PolarHBondContact O-N 3.28Å; K147-A149 PolarHBondContact O-N 2.87Å; A149-R838 PolarHBondContact O-NH2 3.02Å; A149-R838 VanDerWaalsContact O-NH2 3.1Å; A149-P844 HydrophobicContact CB-CG 4.21Å
150	N	94	Very high	93.8	Very high	22 Å²	22	25 Å²	25	12%	0.118	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-116.7	18.1	-175.1	-75.6	-78.5	0	0	0	113.6	T146 K147 A148 L318 E701 R821 R838	T146-N150 PolarHBondContact O-ND2 3.36Å; K147-N150 PolarHBondContact O-N 3.12Å; A148-N150 PolarHBondContact O-N 2.65Å; N150-L318 HydrophobicContact CB-CD1 3.41Å; N150-L318 VanDerWaalsContact CB-CD1 3.41Å; N150-E701 PolarHBondContact ND2-OE1 3.02Å; N150-R821 PolarHBondContact OD1-NH2 3.32Å; N150-R838 VanDerWaalsContact CG-NH2 3.29Å; N150-R838 PolarHBondContact ND2-NH2 3.27Å; N150-R838 PolarHBondContact OD1-NH2 3.38Å
151	V	94.6	Very high	94	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.018	12%	0.121	C	C	.	.			trans	-63.6	149.4	177.3	-63.5	0	0	0	0	112.3	W22 K147 T155 Q156	W22-V151 HydrophobicContact CB-CG1 4.15Å; W22-V151 HydrophobicContact CD2-CG1 3.46Å; W22-V151 VanDerWaalsContact CD2-CG1 3.46Å; W22-V151 HydrophobicContact CE3-CG1 3.86Å; W22-V151 HydrophobicContact CG-CG1 3.6Å; W22-V151 HydrophobicContact CZ2-CG1 4.35Å; W22-V151 HydrophobicContact CZ3-CG1 4.47Å; K147-V151 PolarHBondContact O-N 3.37Å; V151-T155 HydrophobicContact CB-CG2 3.7Å; V151-T155 HydrophobicContact CG1-CG2 4.07Å; V151-T155 HydrophobicContact CG2-CG2 3.73Å; V151-Q156 HydrophobicContact CG2-CG 4.06Å
152	C	94.7	Very high	94.2	Very high	11 Å²	11	21.9 Å²	21.9	7%	0.074	11%	0.109	C	C	.	.			trans	-60.4	161.4	-180	61.7	0	0	0	0	115	M154 T155 Q156 M306 D308	C152-M154 VanDerWaalsContact C-N 3.27Å; C152-M154 PolarHBondContact O-N 2.69Å; C152-T155 PolarHBondContact O-N 3.01Å; C152-T155 PolarHBondContact SG-OG1 3.17Å; C152-Q156 PolarHBondContact O-N 3.46Å; C152-M306 VanDerWaalsContact CB-O 3.28Å; C152-M306 WeakPolarHBondContact CB-O 3.33Å; C152-D308 HydrophobicContact CB-CB 4.43Å; C152-D308 WeakPolarHBondContact CB-OD1 3.32Å; C152-D308 PolarHBondContact N-OD1 3.25Å; C152-D308 PolarHBondContact SG-OD1 3.37Å
153	P	95.4	Very high	94.3	Very high	13 Å²	13	24.8 Å²	24.8	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-55	-36.1	178.8	-25.2	31.6	0	0	0	114.6	T155 Q156 L157 M306 H834 T849	P153-T155 VanDerWaalsContact C-N 3.35Å; P153-T155 PolarHBondContact O-N 3.5Å; P153-Q156 PolarHBondContact O-N 3.45Å; P153-L157 PolarHBondContact O-N 2.82Å; P153-M306 HydrophobicContact CB-CB 4.37Å; P153-M306 HydrophobicContact CB-CE 4.03Å; P153-H834 HydrophobicContact CG-CB 3.41Å; P153-H834 VanDerWaalsContact CG-CB 3.41Å; P153-T849 HydrophobicContact CG-CG2 4.18Å
154	M	95.5	Very high	94.5	Very high	21 Å²	21	24.8 Å²	24.8	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-43.9	176.4	-177.7	61.8	67.3	0	0	111.4	C152 Q156 L157 R158 F216 Y220 R303 M306	C152-M154 VanDerWaalsContact C-N 3.27Å; C152-M154 PolarHBondContact O-N 2.69Å; M154-Q156 VanDerWaalsContact C-N 3.34Å; M154-L157 PolarHBondContact O-N 2.85Å; M154-R158 PolarHBondContact O-N 3.07Å; M154-F216 HydrophobicContact SD-CE1 4.19Å; M154-F216 HydrophobicContact SD-CZ 3.9Å; M154-Y220 HydrophobicContact CE-CD2 4.43Å; M154-Y220 HydrophobicContact CE-CE2 3.55Å; M154-Y220 HydrophobicContact SD-CD2 4.22Å; M154-Y220 HydrophobicContact SD-CE2 3.9Å; M154-R303 HydrophobicContact CE-CB 4.36Å; M154-R303 HydrophobicContact CE-CG 3.83Å; M154-M306 HydrophobicContact CB-CB 4.11Å; M154-M306 VanDerWaalsContact CB-O 3.25Å; M154-M306 WeakPolarHBondContact CB-O 3.23Å; M154-M306 HydrophobicContact CE-CB 4.24Å; M154-M306 HydrophobicContact CE-SD 4.39Å; M154-M306 PolarHBondContact N-O 3.03Å
155	T	95.7	Very high	94.8	Very high	14 Å²	14	23.5 Å²	23.5	9%	0.086	11%	0.114	C	C	.	.	H	α-helix	trans	-67.6	-36.4	176.2	-62.8	0	0	0	0	111.2	W22 F59 V151 C152 P153 R158 K159	W22-T155 HydrophobicContact CH2-CG2 4Å; W22-T155 HydrophobicContact CZ2-CG2 3.56Å; F59-T155 HydrophobicContact CE2-CG2 4.34Å; F59-T155 HydrophobicContact CZ-CG2 3.73Å; V151-T155 HydrophobicContact CB-CG2 3.7Å; V151-T155 HydrophobicContact CG1-CG2 4.07Å; V151-T155 HydrophobicContact CG2-CG2 3.73Å; C152-T155 PolarHBondContact O-N 3.01Å; C152-T155 PolarHBondContact SG-OG1 3.17Å; P153-T155 VanDerWaalsContact C-N 3.35Å; P153-T155 PolarHBondContact O-N 3.5Å; T155-R158 WeakPolarHBondContact O-CB 3.2Å; T155-R158 PolarHBondContact O-N 3.29Å; T155-K159 WeakPolarHBondContact O-CB 3.49Å; T155-K159 PolarHBondContact O-N 2.87Å
156	Q	96	Very high	95	Very high	3 Å²	3	23 Å²	23	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-38.6	173.9	-65.7	-71.9	18.4	0	0	113.2	V151 C152 P153 M154 R158 K159 H160 S846	V151-Q156 HydrophobicContact CG2-CG 4.06Å; C152-Q156 PolarHBondContact O-N 3.46Å; P153-Q156 PolarHBondContact O-N 3.45Å; M154-Q156 VanDerWaalsContact C-N 3.34Å; Q156-R158 VanDerWaalsContact C-N 3.32Å; Q156-R158 PolarHBondContact O-N 3.34Å; Q156-K159 WeakPolarHBondContact O-CB 3.18Å; Q156-K159 PolarHBondContact O-N 3Å; Q156-H160 PolarHBondContact O-N 2.87Å; Q156-S846 WeakPolarHBondContact CB-O 3.33Å
157	L	95.4	Very high	95.3	Very high	9 Å²	9	23.6 Å²	23.6	5%	0.047	12%	0.115	C	C	.	.	H	α-helix	trans	-61	-42.8	171.4	-77.9	179.1	0	0	0	111.1	P153 M154 H160 W161 F216 F219 Y220 Y223 M306 F747 L847	P153-L157 PolarHBondContact O-N 2.82Å; M154-L157 PolarHBondContact O-N 2.85Å; L157-H160 PolarHBondContact O-N 3.4Å; L157-W161 WeakPolarHBondContact O-CB 3.14Å; L157-W161 PolarHBondContact O-N 2.83Å; L157-F216 HydrophobicContact CB-CE2 4.39Å; L157-F219 HydrophobicContact CB-CE1 4.39Å; L157-F219 HydrophobicContact CD2-CE1 4.23Å; L157-Y220 HydrophobicContact CD1-CD2 4.49Å; L157-Y223 HydrophobicContact CD1-CD1 4.08Å; L157-Y223 HydrophobicContact CD1-CE1 3.99Å; L157-Y223 HydrophobicContact CD1-CG 4.41Å; L157-Y223 HydrophobicContact CD2-CD2 4.37Å; L157-M306 HydrophobicContact CD1-CE 3.47Å; L157-M306 VanDerWaalsContact CD1-CE 3.47Å; L157-M306 HydrophobicContact CG-CE 4.41Å; L157-F747 HydrophobicContact CD2-CE2 4.17Å; L157-L847 HydrophobicContact CD2-CD2 3.83Å
158	R	96	Very high	95.4	Very high	93 Å²	93	22.9 Å²	22.9	35%	0.351	11%	0.113	S	C	.	.	H	α-helix	trans	-63.4	-41.1	175.1	-173.7	178.8	-71.9	163.1	-3.6	112	M154 T155 Q156 H160 W161 L162 F216	M154-R158 PolarHBondContact O-N 3.07Å; T155-R158 WeakPolarHBondContact O-CB 3.2Å; T155-R158 PolarHBondContact O-N 3.29Å; Q156-R158 VanDerWaalsContact C-N 3.32Å; Q156-R158 PolarHBondContact O-N 3.34Å; R158-H160 VanDerWaalsContact C-N 3.35Å; R158-W161 HydrophobicContact CG-CE3 4.15Å; R158-W161 WeakPolarHBondContact O-CB 3.35Å; R158-W161 PolarHBondContact O-N 3.22Å; R158-L162 WeakPolarHBondContact O-CB 3.13Å; R158-L162 PolarHBondContact O-N 2.74Å; R158-F216 VanDerWaalsContact CA-CE2 3.42Å; R158-F216 HydrophobicContact CB-CD2 4.05Å; R158-F216 HydrophobicContact CB-CE2 3.73Å; R158-F216 HydrophobicContact CB-CZ 4.15Å; R158-F216 HydrophobicContact CG-CD2 4.1Å; R158-F216 HydrophobicContact CG-CE2 4.28Å; R158-F216 HydrophobicContact CG-CG 4.49Å
159	K	96.4	Very high	95.5	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-41.8	174	-179.2	-178	177.3	-175.4	0	111.6	F59 F60 E74 S76 T155 Q156 L162 R163	F59-K159 HydrophobicContact CB-CD 4.46Å; F59-K159 HydrophobicContact CB-CG 4.13Å; F59-K159 HydrophobicContact CD1-CD 3.72Å; F59-K159 HydrophobicContact CD1-CG 4.09Å; F59-K159 HydrophobicContact CD2-CB 4.05Å; F59-K159 HydrophobicContact CD2-CD 4.45Å; F59-K159 HydrophobicContact CD2-CG 3.95Å; F59-K159 HydrophobicContact CE1-CD 3.95Å; F59-K159 HydrophobicContact CE1-CG 4.45Å; F59-K159 HydrophobicContact CE2-CB 3.99Å; F59-K159 HydrophobicContact CE2-CG 4.31Å; F59-K159 HydrophobicContact CG-CB 4.39Å; F59-K159 HydrophobicContact CG-CD 3.99Å; F59-K159 HydrophobicContact CG-CG 3.82Å; F59-K159 HydrophobicContact CZ-CB 4.29Å; F59-K159 HydrophobicContact CZ-CD 4.38Å; F60-K159 HydrophobicContact CE2-CG 3.74Å; F60-K159 WeakPolarHBondContact CE2-O 3.32Å; F60-K159 HydrophobicContact CZ-CG 3.77Å; E74-K159 VanDerWaalsContact OE1-CE 3.32Å; E74-K159 WeakPolarHBondContact OE1-CE 3.38Å; E74-K159 IonicContact OE1-NZ 2.82Å; E74-K159 PolarHBondContact OE1-NZ 3.44Å; E74-K159 WeakPolarHBondContact OE2-CE 3.22Å; E74-K159 IonicContact OE2-NZ 2.91Å; S76-K159 PolarHBondContact OG-NZ 2.97Å; T155-K159 WeakPolarHBondContact O-CB 3.49Å; T155-K159 PolarHBondContact O-N 2.87Å; Q156-K159 WeakPolarHBondContact O-CB 3.18Å; Q156-K159 PolarHBondContact O-N 3Å; K159-L162 PolarHBondContact O-N 3.01Å; K159-R163 PolarHBondContact O-N 2.98Å
160	H	96	Very high	95.5	Very high	20 Å²	20	24.4 Å²	24.4	9%	0.093	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-41.6	176	-171.1	76.8	0	0	0	112.4	Q156 L157 R158 L162 R163 L164 T182 F219 L847	Q156-H160 PolarHBondContact O-N 2.87Å; L157-H160 PolarHBondContact O-N 3.4Å; R158-H160 VanDerWaalsContact C-N 3.35Å; H160-L162 VanDerWaalsContact C-N 3.31Å; H160-L162 PolarHBondContact O-N 3.47Å; H160-R163 WeakPolarHBondContact O-CB 3.45Å; H160-R163 PolarHBondContact O-N 3.02Å; H160-L164 WeakPolarHBondContact O-CG 3.11Å; H160-L164 PolarHBondContact O-N 3.03Å; H160-T182 WeakPolarHBondContact NE2-CG2 3.45Å; H160-T182 PolarHBondContact NE2-OG1 3.32Å; H160-F219 AromaticContact CD2-CZ 3.98Å; H160-L847 HydrophobicContact CB-CD2 3.66Å; H160-L847 HydrophobicContact CB-CG 4.17Å
161	W	96.8	Very high	95.4	Very high	49 Å²	49	31.1 Å²	31.1	19%	0.186	15%	0.147	C	C	.	.	H	α-helix	trans	-56	-47.2	170.9	165	73	0	0	0	111.4	L157 R158 R163 L164 T165 F214 F216 F219	L157-W161 WeakPolarHBondContact O-CB 3.14Å; L157-W161 PolarHBondContact O-N 2.83Å; R158-W161 HydrophobicContact CG-CE3 4.15Å; R158-W161 WeakPolarHBondContact O-CB 3.35Å; R158-W161 PolarHBondContact O-N 3.22Å; W161-R163 VanDerWaalsContact C-N 3.33Å; W161-R163 PolarHBondContact O-N 3.28Å; W161-L164 WeakPolarHBondContact O-CA 3.44Å; W161-L164 WeakPolarHBondContact O-CB 3.07Å; W161-L164 PolarHBondContact O-N 3.46Å; W161-T165 HydrophobicContact CD2-CG2 4.34Å; W161-T165 HydrophobicContact CZ2-CG2 3.91Å; W161-T165 PolarHBondContact O-N 2.9Å; W161-F214 AromaticContact CD1-CE1 3.99Å; W161-F214 AromaticContact NE1-CD1 3.93Å; W161-F214 PolarHBondContact NE1-O 3.42Å; W161-F216 HydrophobicContact CB-CD2 3.9Å; W161-F216 HydrophobicContact CB-CE2 4.42Å; W161-F216 HydrophobicContact CD2-CB 3.89Å; W161-F216 HydrophobicContact CD2-CD2 4.02Å; W161-F216 HydrophobicContact CD2-CG 4.47Å; W161-F216 VanDerWaalsContact CE2-N 3.32Å; W161-F216 HydrophobicContact CE3-CB 3.99Å; W161-F216 HydrophobicContact CE3-CD2 4.13Å; W161-F216 HydrophobicContact CE3-CG 4.49Å; W161-F216 HydrophobicContact CG-CB 4.43Å; W161-F216 AromaticContact CG-CD2 3.92Å; W161-F216 HydrophobicContact CG-CD2 3.92Å; W161-F216 HydrophobicContact CH2-CB 4.38Å; W161-F216 HydrophobicContact CZ2-CB 4.29Å; W161-F216 HydrophobicContact CZ3-CB 4.24Å; W161-F219 HydrophobicContact CB-CB 4.36Å; W161-F219 HydrophobicContact CB-CD1 3.65Å; W161-F219 HydrophobicContact CB-CE1 4.04Å; W161-F219 HydrophobicContact CB-CG 3.93Å; W161-F219 VanDerWaalsContact CD1-CB 3.45Å; W161-F219 AromaticContact CD1-CG 3.87Å; W161-F219 HydrophobicContact CG-CB 4.12Å; W161-F219 HydrophobicContact CG-CD1 4.3Å; W161-F219 HydrophobicContact CG-CG 4.22Å
162	L	96.6	Very high	95.4	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.131	17%	0.169	C	C	.	.	H	α-helix	trans	-58.1	-46.7	177.5	-177.4	61.9	0	0	0	110.7	D55 F59 F60 R158 K159 H160 L164 T165 L166	D55-L162 HydrophobicContact CB-CD2 3.88Å; D55-L162 WeakPolarHBondContact OD2-CD2 3.38Å; F59-L162 HydrophobicContact CD2-CD2 4.33Å; F60-L162 HydrophobicContact CD2-CD2 4.03Å; F60-L162 HydrophobicContact CD2-CG 4.24Å; F60-L162 HydrophobicContact CE2-CB 4.47Å; F60-L162 HydrophobicContact CE2-CD2 4.35Å; F60-L162 HydrophobicContact CE2-CG 4.44Å; R158-L162 WeakPolarHBondContact O-CB 3.13Å; R158-L162 PolarHBondContact O-N 2.74Å; K159-L162 PolarHBondContact O-N 3.01Å; H160-L162 VanDerWaalsContact C-N 3.31Å; H160-L162 PolarHBondContact O-N 3.47Å; L162-L164 VanDerWaalsContact C-N 3.28Å; L162-L164 PolarHBondContact O-N 3.42Å; L162-T165 WeakPolarHBondContact CA-OG1 3.31Å; L162-T165 CarbonylContact O-C 3.49Å; L162-T165 PolarHBondContact O-N 2.9Å; L162-T165 PolarHBondContact O-OG1 3.03Å; L162-L166 HydrophobicContact CD1-CD1 4.26Å; L162-L166 HydrophobicContact CD1-CG 4.21Å; L162-L166 HydrophobicContact CG-CD1 3.98Å; L162-L166 HydrophobicContact CG-CG 4.33Å; L162-L166 VanDerWaalsContact O-CG 3.31Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.17Å
163	R	96.7	Very high	95.5	Very high	69 Å²	69	39 Å²	39	26%	0.26	18%	0.181	S	C	.	.	H	α-helix	trans	-52.7	-43.4	172.6	167	-178.9	-65.5	-151.6	5.2	112.6	F60 E74 K159 H160 W161 L166 T167	F60-R163 HydrophobicContact CE1-CB 4.32Å; F60-R163 HydrophobicContact CE2-CB 4.08Å; F60-R163 HydrophobicContact CZ-CB 3.74Å; E74-R163 IonicContact OE2-CZ 2.87Å; E74-R163 IonicContact OE2-NH2 3.74Å; E74-R163 PolarHBondContact OE2-NH2 3.39Å; K159-R163 PolarHBondContact O-N 2.98Å; H160-R163 WeakPolarHBondContact O-CB 3.45Å; H160-R163 PolarHBondContact O-N 3.02Å; W161-R163 VanDerWaalsContact C-N 3.33Å; W161-R163 PolarHBondContact O-N 3.28Å; R163-L166 PolarHBondContact O-N 3.39Å; R163-T167 PolarHBondContact O-N 2.94Å; R163-T167 PolarHBondContact O-OG1 2.99Å
164	L	95.6	Very high	95.5	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-43.4	176.4	-63.1	174.5	0	0	0	111.5	H160 W161 L162 L166 T167 V178 F219	H160-L164 WeakPolarHBondContact O-CG 3.11Å; H160-L164 PolarHBondContact O-N 3.03Å; W161-L164 WeakPolarHBondContact O-CA 3.44Å; W161-L164 WeakPolarHBondContact O-CB 3.07Å; W161-L164 PolarHBondContact O-N 3.46Å; L162-L164 VanDerWaalsContact C-N 3.28Å; L162-L164 PolarHBondContact O-N 3.42Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L164-L166 PolarHBondContact O-N 3.44Å; L164-T167 PolarHBondContact O-N 3.19Å; L164-V178 HydrophobicContact CD2-CG1 3.68Å; L164-F219 HydrophobicContact CD1-CD2 4Å; L164-F219 HydrophobicContact CD1-CE2 3.69Å
165	T	96.1	Very high	95.5	Very high	16 Å²	16	38 Å²	38	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-70.8	-21	178.5	62.7	0	0	0	0	114.1	W161 L162 L168 I174 F214	W161-T165 HydrophobicContact CD2-CG2 4.34Å; W161-T165 HydrophobicContact CZ2-CG2 3.91Å; W161-T165 PolarHBondContact O-N 2.9Å; L162-T165 WeakPolarHBondContact CA-OG1 3.31Å; L162-T165 CarbonylContact O-C 3.49Å; L162-T165 PolarHBondContact O-N 2.9Å; L162-T165 PolarHBondContact O-OG1 3.03Å; T165-L168 VanDerWaalsContact O-CD2 3.28Å; T165-L168 WeakPolarHBondContact O-CD2 3.43Å; T165-I174 HydrophobicContact CG2-CD1 3.95Å; T165-F214 HydrophobicContact CG2-CD1 4.47Å
166	L	95.8	Very high	95.5	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-89.2	-14	173.5	-63.4	179	0	0	0	112.6	F60 Y62 S70 L162 R163 L164 L168	F60-L166 HydrophobicContact CB-CD1 3.87Å; F60-L166 HydrophobicContact CD2-CD1 3.99Å; F60-L166 HydrophobicContact CG-CD1 4.13Å; Y62-L166 HydrophobicContact CD1-CD1 3.99Å; Y62-L166 HydrophobicContact CD1-CD2 4.16Å; Y62-L166 HydrophobicContact CD2-CD2 3.84Å; Y62-L166 HydrophobicContact CE1-CD1 4.4Å; Y62-L166 HydrophobicContact CE1-CD2 4.04Å; Y62-L166 HydrophobicContact CE2-CD2 3.66Å; Y62-L166 HydrophobicContact CG-CD1 4.2Å; Y62-L166 HydrophobicContact CG-CD2 4.07Å; S70-L166 WeakPolarHBondContact CB-O 3.32Å; S70-L166 PolarHBondContact OG-O 2.8Å; L162-L166 HydrophobicContact CD1-CD1 4.26Å; L162-L166 HydrophobicContact CD1-CG 4.21Å; L162-L166 HydrophobicContact CG-CD1 3.98Å; L162-L166 HydrophobicContact CG-CG 4.33Å; L162-L166 VanDerWaalsContact O-CG 3.31Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.17Å; R163-L166 PolarHBondContact O-N 3.39Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L164-L166 PolarHBondContact O-N 3.44Å; L166-L168 PolarHBondContact O-N 3.38Å; L166-L168 VanDerWaalsContact O-N 3.08Å
167	T	95.8	Very high	95.3	Very high	39 Å²	39	44.6 Å²	44.6	24%	0.239	20%	0.2	C	C	.	.			trans	-85.5	78.1	176.6	-53.3	0	0	0	0	110.1	R163 L164 P175 V178	R163-T167 PolarHBondContact O-N 2.94Å; R163-T167 PolarHBondContact O-OG1 2.99Å; L164-T167 PolarHBondContact O-N 3.19Å; T167-P175 VanDerWaalsContact O-CD 3.26Å; T167-P175 WeakPolarHBondContact O-CD 3.48Å; T167-V178 HydrophobicContact CG2-CG1 3.93Å; T167-V178 HydrophobicContact CG2-CG2 3.98Å
168	L	95.8	Very high	95.2	Very high	24 Å²	24	45.7 Å²	45.7	13%	0.126	21%	0.207	C	C	.	.			trans	-98.2	146.7	-175.7	-56.9	179.2	0	0	0	112.2	D69 S70 T165 L166 I174 P211	D69-L168 CarbonylContact C-O 3.47Å; D69-L168 WeakPolarHBondContact CA-O 3.23Å; S70-L168 PolarHBondContact N-O 3.33Å; T165-L168 VanDerWaalsContact O-CD2 3.28Å; T165-L168 WeakPolarHBondContact O-CD2 3.43Å; L166-L168 PolarHBondContact O-N 3.38Å; L166-L168 VanDerWaalsContact O-N 3.08Å; L168-I174 HydrophobicContact CD2-CG1 3.84Å; L168-P211 HydrophobicContact CD2-CG 3.64Å
169	N	94.8	Very high	95	Very high	17 Å²	17	41.3 Å²	41.3	9%	0.091	19%	0.19	C	C	.	.			trans	-78.6	174.4	165.3	64.3	23	0	0	0	111.7	Q64 D69 R171 N172 R173 P175	Q64-N169 PolarHBondContact NE2-O 3.35Å; D69-N169 VanDerWaalsContact OD1-CA 3.26Å; D69-N169 WeakPolarHBondContact OD1-CA 3.3Å; N169-R171 PolarHBondContact O-N 2.97Å; N169-R171 WeakPolarHBondContact OD1-CA 2.99Å; N169-R171 WeakPolarHBondContact OD1-CB 3.45Å; N169-R171 PolarHBondContact OD1-N 3.29Å; N169-N172 PolarHBondContact O-N 3.5Å; N169-N172 PolarHBondContact OD1-N 3.31Å; N169-R173 VanDerWaalsContact CG-O 3.25Å; N169-R173 PolarHBondContact N-O 3.5Å; N169-R173 PolarHBondContact OD1-N 3.4Å; N169-R173 PolarHBondContact OD1-O 3.13Å; N169-P175 HydrophobicContact CB-CG 4.1Å
170	A	92.5	Very high	94.7	Very high	44 Å²	44	41.8 Å²	41.8	36%	0.364	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-16.7	174.1	0	0	0	0	0	115.3	D69 N172	D69-A170 PolarHBondContact OD1-N 3.43Å; A170-N172 VanDerWaalsContact C-N 3.34Å
171	R	92.2	Very high	94.3	Very high	164 Å²	164	47.7 Å²	47.7	62%	0.619	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	7.7	174.5	-68.2	179.7	-76.5	145.2	3.4	113.1	N169 R173 D208	N169-R171 PolarHBondContact O-N 2.97Å; N169-R171 WeakPolarHBondContact OD1-CA 2.99Å; N169-R171 WeakPolarHBondContact OD1-CB 3.45Å; N169-R171 PolarHBondContact OD1-N 3.29Å; R171-R173 VanDerWaalsContact C-N 3.3Å; R171-R173 HydrophobicContact CB-CG 4.25Å; R171-R173 WeakPolarHBondContact O-CG 3.4Å; R171-R173 PolarHBondContact O-N 2.87Å; R171-D208 IonicContact CZ-OD2 3.35Å; R171-D208 IonicContact NH1-OD1 3.56Å; R171-D208 IonicContact NH1-OD2 2.89Å; R171-D208 PolarHBondContact NH1-OD2 3.36Å; R171-D208 IonicContact NH2-OD2 2.83Å; R171-D208 PolarHBondContact NH2-OD2 3.45Å
172	N	93.6	Very high	94	Very high	89 Å²	89	46.2 Å²	46.2	48%	0.476	21%	0.214	S	C	.	.	S	Bend	trans	60.1	35.8	-175.3	-59.9	-32.6	0	0	0	113.6	Q64 N169 A170	Q64-N172 PolarHBondContact NE2-OD1 2.89Å; Q64-N172 VanDerWaalsContact NE2-OD1 3.16Å; Q64-N172 PolarHBondContact OE1-OD1 3.28Å; N169-N172 PolarHBondContact O-N 3.5Å; N169-N172 PolarHBondContact OD1-N 3.31Å; A170-N172 VanDerWaalsContact C-N 3.34Å
173	R	96.3	Very high	93.6	Very high	90 Å²	90	45.1 Å²	45.1	34%	0.34	21%	0.208	S	C	.	.			trans	-122	147.6	-179.2	-57.2	-84.2	-179.9	-177.7	-8.6	110.5	N169 R171 P175 D208 I209 D210	N169-R173 VanDerWaalsContact CG-O 3.25Å; N169-R173 PolarHBondContact N-O 3.5Å; N169-R173 PolarHBondContact OD1-N 3.4Å; N169-R173 PolarHBondContact OD1-O 3.13Å; R171-R173 VanDerWaalsContact C-N 3.3Å; R171-R173 HydrophobicContact CB-CG 4.25Å; R171-R173 WeakPolarHBondContact O-CG 3.4Å; R171-R173 PolarHBondContact O-N 2.87Å; R173-P175 VanDerWaalsContact O-CD 3.27Å; R173-P175 WeakPolarHBondContact O-CD 3.38Å; R173-D208 HydrophobicContact CB-CB 3.58Å; R173-D208 VanDerWaalsContact CB-OD1 3.26Å; R173-D208 WeakPolarHBondContact CB-OD1 3.32Å; R173-D208 HydrophobicContact CG-CB 4.48Å; R173-D208 VanDerWaalsContact CG-OD1 3.23Å; R173-D208 WeakPolarHBondContact CG-OD1 3.37Å; R173-I209 WeakPolarHBondContact CA-O 3.38Å; R173-D210 IonicContact CZ-OD2 3.04Å; R173-D210 VanDerWaalsContact NH1-CG 3.26Å; R173-D210 IonicContact NH1-OD2 3.8Å; R173-D210 PolarHBondContact NH1-OD2 2.99Å; R173-D210 IonicContact NH2-OD2 3.65Å
174	I	96.6	Very high	92.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.4	177.9	-53.9	170.4	0	0	0	108.6	T165 L168 V176 I179 D208 I209 P211 F214	T165-I174 HydrophobicContact CG2-CD1 3.95Å; L168-I174 HydrophobicContact CD2-CG1 3.84Å; I174-V176 PolarHBondContact O-N 3.43Å; I174-I179 HydrophobicContact CG2-CD1 4.14Å; I174-I179 HydrophobicContact CG2-CG1 4.2Å; I174-D208 CarbonylContact O-C 3.58Å; I174-D208 VanDerWaalsContact O-CA 3.22Å; I174-D208 WeakPolarHBondContact O-CA 3.36Å; I174-I209 HydrophobicContact CB-CB 4.4Å; I174-I209 PolarHBondContact N-O 3.41Å; I174-I209 PolarHBondContact O-N 3.35Å; I174-P211 HydrophobicContact CD1-CB 4.22Å; I174-P211 HydrophobicContact CD1-CG 4.34Å; I174-P211 HydrophobicContact CG1-CB 4.49Å; I174-P211 HydrophobicContact CG1-CG 4.08Å; I174-F214 HydrophobicContact CD1-CB 4.27Å; I174-F214 HydrophobicContact CD1-CD1 4.27Å
175	P	96.1	Very high	91.9	Very high	12 Å²	12	44.1 Å²	44.1	8%	0.078	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.1	178.1	-16.8	32.2	0	0	0	110.6	T167 N169 R173 R177 V178	T167-P175 VanDerWaalsContact O-CD 3.26Å; T167-P175 WeakPolarHBondContact O-CD 3.48Å; N169-P175 HydrophobicContact CB-CG 4.1Å; R173-P175 VanDerWaalsContact O-CD 3.27Å; R173-P175 WeakPolarHBondContact O-CD 3.38Å; P175-R177 HydrophobicContact CB-CG 3.78Å; P175-R177 PolarHBondContact O-N 3.23Å; P175-R177 VanDerWaalsContact O-N 3.09Å; P175-V178 HydrophobicContact CB-CG2 4.09Å; P175-V178 HydrophobicContact CG-CG2 4.18Å; P175-V178 WeakPolarHBondContact O-CB 3.36Å; P175-V178 PolarHBondContact O-N 3.47Å
176	V	94.8	Very high	90.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.6	-34.4	-179.1	170.7	0	0	0	0	111.7	I174 V178 I179 M180 Y193 L196 D207 I209	I174-V176 PolarHBondContact O-N 3.43Å; V176-V178 PolarHBondContact O-N 3.11Å; V176-V178 VanDerWaalsContact O-N 3.11Å; V176-I179 PolarHBondContact O-N 3.15Å; V176-I179 VanDerWaalsContact O-N 3.11Å; V176-M180 HydrophobicContact CG1-CG 4.07Å; V176-M180 WeakPolarHBondContact O-CG 3.44Å; V176-M180 PolarHBondContact O-N 2.72Å; V176-Y193 HydrophobicContact CG1-CD1 4.25Å; V176-Y193 HydrophobicContact CG1-CE1 3.86Å; V176-L196 HydrophobicContact CG1-CD1 3.82Å; V176-D207 WeakPolarHBondContact CB-O 3.05Å; V176-D207 HydrophobicContact CG2-CB 3.96Å; V176-D207 WeakPolarHBondContact CG2-O 3.27Å; V176-D207 PolarHBondContact N-O 3.21Å; V176-I209 HydrophobicContact CG2-CD1 4.06Å; V176-I209 HydrophobicContact CG2-CG1 3.86Å
177	R	92	Very high	88.9	Confident	157 Å²	157	47.7 Å²	47.7	59%	0.592	23%	0.228	S	C	*	.	H	α-helix	trans	-53.2	-30.4	174.7	65.3	174.8	-174.5	151.8	0.6	114.3	P175 K181	P175-R177 HydrophobicContact CB-CG 3.78Å; P175-R177 PolarHBondContact O-N 3.23Å; P175-R177 VanDerWaalsContact O-N 3.09Å; R177-K181 PolarHBondContact O-N 3.33Å; R177-K181 VanDerWaalsContact O-N 3.15Å
178	V	92.2	Very high	87.8	Confident	32 Å²	32	49.5 Å²	49.5	19%	0.194	24%	0.237	C	C	.	.	H	α-helix	trans	-74.5	-42.9	-179.5	-178.3	0	0	0	0	110	L164 T167 P175 V176 M180 K181	L164-V178 HydrophobicContact CD2-CG1 3.68Å; T167-V178 HydrophobicContact CG2-CG1 3.93Å; T167-V178 HydrophobicContact CG2-CG2 3.98Å; P175-V178 HydrophobicContact CB-CG2 4.09Å; P175-V178 HydrophobicContact CG-CG2 4.18Å; P175-V178 WeakPolarHBondContact O-CB 3.36Å; P175-V178 PolarHBondContact O-N 3.47Å; V176-V178 PolarHBondContact O-N 3.11Å; V176-V178 VanDerWaalsContact O-N 3.11Å; V178-M180 VanDerWaalsContact C-N 3.35Å; V178-K181 PolarHBondContact O-N 2.78Å
179	I	92.7	Very high	87.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-45.3	174	-57.8	172.7	0	0	0	109.7	I174 V176 K181 T182 F183 I209 F214 L222	I174-I179 HydrophobicContact CG2-CD1 4.14Å; I174-I179 HydrophobicContact CG2-CG1 4.2Å; V176-I179 PolarHBondContact O-N 3.15Å; V176-I179 VanDerWaalsContact O-N 3.11Å; I179-K181 VanDerWaalsContact C-N 3.29Å; I179-K181 PolarHBondContact O-N 2.91Å; I179-T182 VanDerWaalsContact O-CB 3.27Å; I179-T182 WeakPolarHBondContact O-CB 3.39Å; I179-T182 PolarHBondContact O-N 2.95Å; I179-T182 VanDerWaalsContact O-N 3.1Å; I179-F183 HydrophobicContact CG2-CE2 4.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.42Å; I179-I209 HydrophobicContact CD1-CD1 3.64Å; I179-F214 HydrophobicContact CD1-CD1 4.46Å; I179-F214 HydrophobicContact CD1-CE1 4.02Å; I179-F214 HydrophobicContact CD1-CE2 4.37Å; I179-F214 HydrophobicContact CD1-CZ 3.97Å; I179-L222 HydrophobicContact CG2-CD2 3.85Å
180	M	89.3	Confident	86.7	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.059	29%	0.285	C	S	.	.	H	α-helix	trans	-54.4	-42.6	176.8	-71.4	-62.1	-55.2	0	0	112.9	V176 V178 T182 F183 A184 E189 V192 Y193	V176-M180 HydrophobicContact CG1-CG 4.07Å; V176-M180 WeakPolarHBondContact O-CG 3.44Å; V176-M180 PolarHBondContact O-N 2.72Å; V178-M180 VanDerWaalsContact C-N 3.35Å; M180-T182 PolarHBondContact O-N 3.37Å; M180-F183 PolarHBondContact O-N 3.14Å; M180-F183 VanDerWaalsContact O-N 3.15Å; M180-A184 PolarHBondContact O-N 3.07Å; M180-E189 HydrophobicContact CE-CB 3.52Å; M180-E189 HydrophobicContact CE-CG 3.69Å; M180-V192 HydrophobicContact CE-CB 3.75Å; M180-V192 HydrophobicContact CE-CG1 4.12Å; M180-V192 HydrophobicContact CE-CG2 4.14Å; M180-V192 HydrophobicContact SD-CB 3.49Å; M180-V192 WeakPolarHBondContact SD-CB 3.32Å; M180-V192 HydrophobicContact SD-CG1 3.27Å; M180-V192 WeakPolarHBondContact SD-CG1 3.33Å; M180-V192 HydrophobicContact SD-CG2 4.39Å; M180-Y193 HydrophobicContact CE-CD2 4.21Å; M180-Y193 HydrophobicContact CE-CE1 4.15Å; M180-Y193 HydrophobicContact CE-CE2 3.77Å; M180-Y193 HydrophobicContact CG-CD1 4.45Å; M180-Y193 HydrophobicContact CG-CE1 3.73Å; M180-Y193 HydrophobicContact SD-CD1 3.69Å; M180-Y193 HydrophobicContact SD-CD2 4.39Å; M180-Y193 HydrophobicContact SD-CE1 3.48Å; M180-Y193 WeakPolarHBondContact SD-CE1 3.37Å; M180-Y193 HydrophobicContact SD-CE2 4.17Å; M180-Y193 HydrophobicContact SD-CG 4.17Å
181	K	89.1	Confident	86.4	Confident	144 Å²	144	63.1 Å²	63.1	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-62.1	-30.4	-179.2	-167.9	177.6	178.4	-175.3	0	112.7	R177 V178 I179 F183 A184	R177-K181 PolarHBondContact O-N 3.33Å; R177-K181 VanDerWaalsContact O-N 3.15Å; V178-K181 PolarHBondContact O-N 2.78Å; I179-K181 VanDerWaalsContact C-N 3.29Å; I179-K181 PolarHBondContact O-N 2.91Å; K181-F183 PolarHBondContact O-N 2.88Å; K181-A184 WeakPolarHBondContact O-CB 3.48Å; K181-A184 PolarHBondContact O-N 3.12Å
182	T	89.5	Confident	86.2	Confident	18 Å²	18	55.4 Å²	55.4	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-32.5	177.4	-60.5	0	0	0	0	112.3	H160 I179 M180 F747 L847	H160-T182 WeakPolarHBondContact NE2-CG2 3.45Å; H160-T182 PolarHBondContact NE2-OG1 3.32Å; I179-T182 VanDerWaalsContact O-CB 3.27Å; I179-T182 WeakPolarHBondContact O-CB 3.39Å; I179-T182 PolarHBondContact O-N 2.95Å; I179-T182 VanDerWaalsContact O-N 3.1Å; M180-T182 PolarHBondContact O-N 3.37Å; T182-F747 HydrophobicContact CG2-CE1 4.16Å; T182-L847 HydrophobicContact CG2-CD1 3.89Å
183	F	88.6	Confident	86	Confident	1 Å²	1	53 Å²	53	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	11.3	-175.3	-57.3	-78	0	0	0	113.1	I179 M180 K181 S185 G186 V192 F219 L222 I226 F747 L783	I179-F183 HydrophobicContact CG2-CE2 4.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.42Å; M180-F183 PolarHBondContact O-N 3.14Å; M180-F183 VanDerWaalsContact O-N 3.15Å; K181-F183 PolarHBondContact O-N 2.88Å; F183-S185 VanDerWaalsContact C-N 3.27Å; F183-S185 PolarHBondContact O-N 3.17Å; F183-G186 PolarHBondContact O-N 3.1Å; F183-V192 HydrophobicContact CB-CG2 4.1Å; F183-V192 HydrophobicContact CD2-CG1 4.34Å; F183-F219 HydrophobicContact CZ-CE2 4.2Å; F183-L222 HydrophobicContact CE2-CD2 3.98Å; F183-L222 HydrophobicContact CE2-CG 4.28Å; F183-L222 HydrophobicContact CZ-CD2 4.44Å; F183-L222 HydrophobicContact CZ-CG 4.38Å; F183-I226 HydrophobicContact CB-CD1 4.49Å; F183-I226 HydrophobicContact CB-CG2 3.99Å; F183-I226 HydrophobicContact CD1-CB 4.05Å; F183-I226 HydrophobicContact CD1-CD1 4.04Å; F183-I226 HydrophobicContact CD1-CG2 3.6Å; F183-I226 HydrophobicContact CD2-CD1 3.78Å; F183-I226 HydrophobicContact CE1-CB 4.26Å; F183-I226 HydrophobicContact CE1-CD1 4.17Å; F183-I226 HydrophobicContact CE1-CG2 4.31Å; F183-I226 HydrophobicContact CE2-CD1 3.93Å; F183-I226 HydrophobicContact CG-CD1 3.84Å; F183-I226 HydrophobicContact CG-CG2 3.93Å; F183-I226 HydrophobicContact CZ-CD1 4.12Å; F183-F747 AromaticContact CD1-CE1 3.8Å; F183-F747 HydrophobicContact CD1-CE1 3.8Å; F183-F747 HydrophobicContact CD1-CZ 4.26Å; F183-F747 AromaticContact CE1-CE1 3.76Å; F183-F747 HydrophobicContact CE1-CE1 3.76Å; F183-F747 AromaticContact CE1-CZ 3.79Å; F183-F747 HydrophobicContact CE1-CZ 3.79Å; F183-L783 HydrophobicContact CD1-CD1 4.44Å
184	A	79.9	Confident	85.8	Confident	51 Å²	51	53.1 Å²	53.1	42%	0.421	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.9	-169.3	0	0	0	0	0	114.7	M180 K181 G186	M180-A184 PolarHBondContact O-N 3.07Å; K181-A184 WeakPolarHBondContact O-CB 3.48Å; K181-A184 PolarHBondContact O-N 3.12Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 3Å
185	S	76.3	Confident	85.6	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.014	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.9	177.2	54.6	0	0	0	0	113.9	F183 S749 D750 R751 K752	F183-S185 VanDerWaalsContact C-N 3.27Å; F183-S185 PolarHBondContact O-N 3.17Å; S185-S749 WeakPolarHBondContact CB-O 3.34Å; S185-S749 PolarHBondContact OG-O 3.03Å; S185-D750 PolarHBondContact N-O 3.04Å; S185-R751 WeakPolarHBondContact CB-O 3.27Å; S185-K752 WeakPolarHBondContact O-CG 3.42Å
186	G	64.4	Low	85.4	Confident	7 Å²	7	52.9 Å²	52.9	7%	0.072	24%	0.244	C	C	.	.	S	Bend	trans	-120.4	153.1	-177.1	0	0	0	0	0	113.1	F183 A184	F183-G186 PolarHBondContact O-N 3.1Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 3Å
187	R	64.7	Low	85.4	Confident	98 Å²	98	57.9 Å²	57.9	37%	0.37	27%	0.265	S	S	.	.	S	Bend	trans	50.1	-178.1	174.2	-64.3	-170	-173.7	-168	-2.7	114	I191 K225 I226 K752	R187-I191 HydrophobicContact CB-CB 4.47Å; R187-I191 HydrophobicContact CB-CD1 4.04Å; R187-I191 HydrophobicContact CG-CD1 4.38Å; R187-K225 PolarHBondContact NH1-O 3.04Å; R187-I226 WeakPolarHBondContact CD-O 3.34Å; R187-I226 VanDerWaalsContact CZ-O 3.23Å; R187-I226 PolarHBondContact NE-O 3.15Å; R187-K752 PolarHBondContact O-NZ 3.31Å
188	N	72	Confident	85.4	Confident	77 Å²	77	54 Å²	54	41%	0.412	26%	0.256	S	S	.	.			trans	-86.7	137.2	176	169.9	-17.4	0	0	0	107.6	R190 I191	N188-R190 PolarHBondContact O-N 3.46Å; N188-R190 VanDerWaalsContact OD1-CB 3.24Å; N188-R190 WeakPolarHBondContact OD1-CB 3.13Å; N188-R190 VanDerWaalsContact OD1-CG 3.23Å; N188-R190 WeakPolarHBondContact OD1-CG 3.23Å; N188-R190 PolarHBondContact OD1-N 3.38Å; N188-I191 WeakPolarHBondContact O-CB 3.26Å; N188-I191 PolarHBondContact O-N 3.39Å
189	E	82.3	Confident	85.5	Confident	112 Å²	112	53.2 Å²	53.2	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-43.3	-35.8	173.6	-71.5	-173.5	170	0	0	112.9	M180 I191 V192 Y193	M180-E189 HydrophobicContact CE-CB 3.52Å; M180-E189 HydrophobicContact CE-CG 3.69Å; E189-I191 VanDerWaalsContact C-N 3.26Å; E189-I191 PolarHBondContact O-N 2.87Å; E189-V192 PolarHBondContact O-N 2.84Å; E189-V192 VanDerWaalsContact O-N 3.09Å; E189-Y193 HydrophobicContact CB-CD2 4.36Å; E189-Y193 HydrophobicContact CB-CE2 3.93Å; E189-Y193 WeakPolarHBondContact O-CD2 3.42Å; E189-Y193 PolarHBondContact O-N 2.97Å; E189-Y193 VanDerWaalsContact O-N 3.09Å
190	R	85	Confident	85.5	Confident	190 Å²	190	60.1 Å²	60.1	72%	0.717	29%	0.288	S	S	*	.	H	α-helix	trans	-53.2	-38	174.8	-68.6	-178.5	-173.3	174.9	-2	113.9	N188 V192 Q194	N188-R190 PolarHBondContact O-N 3.46Å; N188-R190 VanDerWaalsContact OD1-CB 3.24Å; N188-R190 WeakPolarHBondContact OD1-CB 3.13Å; N188-R190 VanDerWaalsContact OD1-CG 3.23Å; N188-R190 WeakPolarHBondContact OD1-CG 3.23Å; N188-R190 PolarHBondContact OD1-N 3.38Å; R190-V192 VanDerWaalsContact C-N 3.35Å; R190-Q194 WeakPolarHBondContact O-CB 3.41Å; R190-Q194 PolarHBondContact O-N 2.68Å
191	I	86.3	Confident	85.8	Confident	69 Å²	69	59.9 Å²	59.9	35%	0.354	29%	0.287	S	S	.	.	H	α-helix	trans	-69.7	-37.2	-179.6	-66.9	171.9	0	0	0	110.4	R187 N188 E189 Q194 S195	R187-I191 HydrophobicContact CB-CB 4.47Å; R187-I191 HydrophobicContact CB-CD1 4.04Å; R187-I191 HydrophobicContact CG-CD1 4.38Å; N188-I191 WeakPolarHBondContact O-CB 3.26Å; N188-I191 PolarHBondContact O-N 3.39Å; E189-I191 VanDerWaalsContact C-N 3.26Å; E189-I191 PolarHBondContact O-N 2.87Å; I191-Q194 PolarHBondContact O-N 2.95Å; I191-S195 WeakPolarHBondContact O-CB 3.39Å; I191-S195 PolarHBondContact O-N 3.47Å; I191-S195 PolarHBondContact O-OG 2.96Å
192	V	87.9	Confident	86	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-47.3	176.8	-173.6	0	0	0	0	109.9	M180 F183 E189 R190 Q194 S195 L196 I226	M180-V192 HydrophobicContact CE-CB 3.75Å; M180-V192 HydrophobicContact CE-CG1 4.12Å; M180-V192 HydrophobicContact CE-CG2 4.14Å; M180-V192 HydrophobicContact SD-CB 3.49Å; M180-V192 WeakPolarHBondContact SD-CB 3.32Å; M180-V192 HydrophobicContact SD-CG1 3.27Å; M180-V192 WeakPolarHBondContact SD-CG1 3.33Å; M180-V192 HydrophobicContact SD-CG2 4.39Å; F183-V192 HydrophobicContact CB-CG2 4.1Å; F183-V192 HydrophobicContact CD2-CG1 4.34Å; E189-V192 PolarHBondContact O-N 2.84Å; E189-V192 VanDerWaalsContact O-N 3.09Å; R190-V192 VanDerWaalsContact C-N 3.35Å; V192-Q194 VanDerWaalsContact C-N 3.34Å; V192-Q194 PolarHBondContact O-N 3.33Å; V192-S195 PolarHBondContact O-N 2.91Å; V192-S195 VanDerWaalsContact O-N 3.15Å; V192-L196 WeakPolarHBondContact O-CG 3.3Å; V192-L196 PolarHBondContact O-N 3.3Å; V192-I226 HydrophobicContact CB-CD1 4.17Å; V192-I226 HydrophobicContact CG1-CD1 3.77Å; V192-I226 HydrophobicContact CG2-CD1 3.98Å
193	Y	90.9	Very high	86.1	Confident	38 Å²	38	57.4 Å²	57.4	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-42.4	175.2	-65.1	-56	0	0	0	112.6	V176 M180 E189 S195 L196 K197 H203	V176-Y193 HydrophobicContact CG1-CD1 4.25Å; V176-Y193 HydrophobicContact CG1-CE1 3.86Å; M180-Y193 HydrophobicContact CE-CD2 4.21Å; M180-Y193 HydrophobicContact CE-CE1 4.15Å; M180-Y193 HydrophobicContact CE-CE2 3.77Å; M180-Y193 HydrophobicContact CG-CD1 4.45Å; M180-Y193 HydrophobicContact CG-CE1 3.73Å; M180-Y193 HydrophobicContact SD-CD1 3.69Å; M180-Y193 HydrophobicContact SD-CD2 4.39Å; M180-Y193 HydrophobicContact SD-CE1 3.48Å; M180-Y193 WeakPolarHBondContact SD-CE1 3.37Å; M180-Y193 HydrophobicContact SD-CE2 4.17Å; M180-Y193 HydrophobicContact SD-CG 4.17Å; E189-Y193 HydrophobicContact CB-CD2 4.36Å; E189-Y193 HydrophobicContact CB-CE2 3.93Å; E189-Y193 WeakPolarHBondContact O-CD2 3.42Å; E189-Y193 PolarHBondContact O-N 2.97Å; E189-Y193 VanDerWaalsContact O-N 3.09Å; Y193-S195 VanDerWaalsContact C-N 3.33Å; Y193-S195 PolarHBondContact O-N 2.92Å; Y193-L196 PolarHBondContact O-N 2.63Å; Y193-K197 PolarHBondContact O-N 3.3Å; Y193-H203 WeakPolarHBondContact CD1-O 3.22Å; Y193-H203 WeakPolarHBondContact O-CB 3.46Å
194	Q	91.4	Very high	86.2	Confident	93 Å²	93	58.4 Å²	58.4	44%	0.435	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.6	-174.1	59.4	51.2	0	0	111.5	R190 I191 V192 L196 K197 D198	R190-Q194 WeakPolarHBondContact O-CB 3.41Å; R190-Q194 PolarHBondContact O-N 2.68Å; I191-Q194 PolarHBondContact O-N 2.95Å; V192-Q194 VanDerWaalsContact C-N 3.34Å; V192-Q194 PolarHBondContact O-N 3.33Å; Q194-L196 PolarHBondContact O-N 2.65Å; Q194-K197 WeakPolarHBondContact O-CB 3.31Å; Q194-K197 PolarHBondContact O-N 2.85Å; Q194-D198 PolarHBondContact NE2-OD1 2.98Å; Q194-D198 PolarHBondContact O-N 2.83Å
195	S	91.7	Very high	86.5	Confident	7 Å²	7	62.5 Å²	62.5	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-39.3	177.7	-56.7	0	0	0	0	111.8	I191 V192 Y193 D198 L199	I191-S195 WeakPolarHBondContact O-CB 3.39Å; I191-S195 PolarHBondContact O-N 3.47Å; I191-S195 PolarHBondContact O-OG 2.96Å; V192-S195 PolarHBondContact O-N 2.91Å; V192-S195 VanDerWaalsContact O-N 3.15Å; Y193-S195 VanDerWaalsContact C-N 3.33Å; Y193-S195 PolarHBondContact O-N 2.92Å; S195-D198 PolarHBondContact O-N 3.37Å; S195-L199 WeakPolarHBondContact O-CG 3.41Å; S195-L199 PolarHBondContact O-N 3.03Å; S195-L199 VanDerWaalsContact O-N 3.17Å
196	L	92.9	Very high	87.3	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-43.5	172	-71.5	172.3	0	0	0	111.6	V176 V192 Y193 Q194 D198 L199 N200 L201 H203 L222	V176-L196 HydrophobicContact CG1-CD1 3.82Å; V192-L196 WeakPolarHBondContact O-CG 3.3Å; V192-L196 PolarHBondContact O-N 3.3Å; Y193-L196 PolarHBondContact O-N 2.63Å; Q194-L196 PolarHBondContact O-N 2.65Å; L196-D198 VanDerWaalsContact C-N 3.35Å; L196-D198 PolarHBondContact O-N 2.83Å; L196-L199 CarbonylContact O-C 3.53Å; L196-L199 PolarHBondContact O-N 2.74Å; L196-N200 PolarHBondContact O-N 3.48Å; L196-L201 HydrophobicContact CB-CB 4.45Å; L196-L201 HydrophobicContact CD2-CB 4.44Å; L196-L201 HydrophobicContact CD2-CD1 3.92Å; L196-L201 WeakPolarHBondContact O-CB 3.36Å; L196-L201 PolarHBondContact O-N 3.38Å; L196-H203 HydrophobicContact CB-CB 3.91Å; L196-L222 HydrophobicContact CD2-CD1 4.28Å; L196-L222 HydrophobicContact CD2-CD2 3.84Å; L196-L222 HydrophobicContact CG-CD1 4.47Å
197	K	93.7	Very high	88.7	Confident	105 Å²	105	72.3 Å²	72.3	46%	0.457	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-44.4	176	-177	179.5	175.7	-179.9	0	111.8	Y193 Q194 L199 N200 H203	Y193-K197 PolarHBondContact O-N 3.3Å; Q194-K197 WeakPolarHBondContact O-CB 3.31Å; Q194-K197 PolarHBondContact O-N 2.85Å; K197-L199 PolarHBondContact O-N 2.76Å; K197-N200 WeakPolarHBondContact O-CA 3.47Å; K197-N200 PolarHBondContact O-N 3.35Å; K197-H203 HydrophobicContact CB-CB 4.3Å
198	D	93.4	Very high	90.2	Very high	76 Å²	76	69.1 Å²	69.1	41%	0.406	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-27.8	178.5	-62.1	-13.2	0	0	0	112.5	Q194 S195 L196 N200 K225	Q194-D198 PolarHBondContact NE2-OD1 2.98Å; Q194-D198 PolarHBondContact O-N 2.83Å; S195-D198 PolarHBondContact O-N 3.37Å; L196-D198 VanDerWaalsContact C-N 3.35Å; L196-D198 PolarHBondContact O-N 2.83Å; D198-N200 PolarHBondContact O-N 2.9Å; D198-K225 IonicContact OD2-NZ 2.85Å; D198-K225 PolarHBondContact OD2-NZ 3.31Å
199	L	92.9	Very high	91.4	Very high	15 Å²	15	65.4 Å²	65.4	8%	0.079	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	8.3	174.1	-67.1	172.7	0	0	0	113.3	S195 L196 K197 L201 K218 E221 L222	S195-L199 WeakPolarHBondContact O-CG 3.41Å; S195-L199 PolarHBondContact O-N 3.03Å; S195-L199 VanDerWaalsContact O-N 3.17Å; L196-L199 CarbonylContact O-C 3.53Å; L196-L199 PolarHBondContact O-N 2.74Å; K197-L199 PolarHBondContact O-N 2.76Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 HydrophobicContact CB-CD1 3.97Å; L199-L201 HydrophobicContact CB-CG 4.19Å; L199-L201 HydrophobicContact CD1-CD1 4.44Å; L199-L201 PolarHBondContact O-N 3Å; L199-K218 PolarHBondContact O-NZ 3.38Å; L199-E221 HydrophobicContact CD2-CB 4.06Å; L199-E221 WeakPolarHBondContact CD2-OE2 3.4Å; L199-L222 HydrophobicContact CD1-CB 3.83Å; L199-L222 HydrophobicContact CD1-CD1 4.04Å; L199-L222 HydrophobicContact CD1-CG 4.48Å
200	N	93.9	Very high	92	Very high	145 Å²	145	61.7 Å²	61.7	78%	0.775	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	44.8	-175	-58.5	-57.7	0	0	0	112.4	L196 K197 D198	L196-N200 PolarHBondContact O-N 3.48Å; K197-N200 WeakPolarHBondContact O-CA 3.47Å; K197-N200 PolarHBondContact O-N 3.35Å; D198-N200 PolarHBondContact O-N 2.9Å
201	L	94.1	Very high	92.5	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.037	28%	0.28	C	S	.	.			trans	-112.1	154.5	176.2	-65	168.6	0	0	0	111.1	L196 L199 H203 I209 E213 F214 K218	L196-L201 HydrophobicContact CB-CB 4.45Å; L196-L201 HydrophobicContact CD2-CB 4.44Å; L196-L201 HydrophobicContact CD2-CD1 3.92Å; L196-L201 WeakPolarHBondContact O-CB 3.36Å; L196-L201 PolarHBondContact O-N 3.38Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 HydrophobicContact CB-CD1 3.97Å; L199-L201 HydrophobicContact CB-CG 4.19Å; L199-L201 HydrophobicContact CD1-CD1 4.44Å; L199-L201 PolarHBondContact O-N 3Å; L201-H203 PolarHBondContact O-N 3.01Å; L201-H203 PolarHBondContact O-ND1 3.45Å; L201-I209 HydrophobicContact CB-CD1 4.28Å; L201-I209 HydrophobicContact CD2-CG2 4.05Å; L201-E213 HydrophobicContact CD2-CB 4.41Å; L201-E213 WeakPolarHBondContact CD2-O 3.44Å; L201-F214 HydrophobicContact CD1-CD2 3.47Å; L201-F214 VanDerWaalsContact CD1-CD2 3.47Å; L201-F214 HydrophobicContact CD1-CE2 3.6Å; L201-F214 HydrophobicContact CD2-CD2 4.32Å; L201-K218 HydrophobicContact CD1-CD 4.06Å; L201-K218 HydrophobicContact CD2-CD 4.03Å; L201-K218 HydrophobicContact CG-CD 4.19Å
202	P	93.6	Very high	92.9	Very high	36 Å²	36	57.9 Å²	57.9	23%	0.234	30%	0.299	C	S	.	.			trans	-53.1	134	166.5	-22.4	32	0	0	0	110.8	D207 I209	P202-D207 HydrophobicContact CB-CB 3.81Å; P202-I209 HydrophobicContact CB-CG1 4.1Å; P202-I209 HydrophobicContact CG-CG1 4.08Å
203	H	92.2	Very high	93.2	Very high	75 Å²	75	62.4 Å²	62.4	35%	0.347	32%	0.321	S	S	.	.			trans	-139.6	2.8	-166.6	61.9	-82	0	0	0	113.3	Y193 L196 K197 L201 D207	Y193-H203 WeakPolarHBondContact CD1-O 3.22Å; Y193-H203 WeakPolarHBondContact O-CB 3.46Å; L196-H203 HydrophobicContact CB-CB 3.91Å; K197-H203 HydrophobicContact CB-CB 4.3Å; L201-H203 PolarHBondContact O-N 3.01Å; L201-H203 PolarHBondContact O-ND1 3.45Å; H203-D207 PolarHBondContact N-OD2 3.26Å
204	G	90	Very high	93.5	Very high	22 Å²	22	60.6 Å²	60.6	23%	0.227	31%	0.314	C	S	.	.	S	Bend	trans	-69.3	150.7	168.1	0	0	0	0	0	111.2	N206 D207	G204-N206 PolarHBondContact O-N 3.34Å; G204-D207 VanDerWaalsContact CA-CG 3.43Å; G204-D207 VanDerWaalsContact CA-OD2 3.26Å; G204-D207 WeakPolarHBondContact CA-OD2 3.36Å; G204-D207 VanDerWaalsContact N-CG 3.32Å; G204-D207 PolarHBondContact N-OD2 2.83Å; G204-D207 WeakPolarHBondContact O-CB 3.4Å; G204-D207 PolarHBondContact O-N 2.98Å; G204-D207 VanDerWaalsContact O-N 3.07Å
205	K	87.2	Confident	93.7	Very high	137 Å²	137	59.1 Å²	59.1	60%	0.596	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.8	-179.9	-178.2	171.6	-178.6	172.2	0	113.6
206	N	92.1	Very high	93.9	Very high	145 Å²	145	59.5 Å²	59.5	78%	0.775	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	6.6	-179.6	-60.7	-27.5	0	0	0	112.4	G204	G204-N206 PolarHBondContact O-N 3.34Å
207	D	95.1	Very high	94	Very high	69 Å²	69	63.4 Å²	63.4	37%	0.369	33%	0.331	S	S	.	.			trans	-73.7	164	176.9	-66.3	1.8	0	0	0	109.6	V176 P202 H203 G204	V176-D207 WeakPolarHBondContact CB-O 3.05Å; V176-D207 HydrophobicContact CG2-CB 3.96Å; V176-D207 WeakPolarHBondContact CG2-O 3.27Å; V176-D207 PolarHBondContact N-O 3.21Å; P202-D207 HydrophobicContact CB-CB 3.81Å; H203-D207 PolarHBondContact N-OD2 3.26Å; G204-D207 VanDerWaalsContact CA-CG 3.43Å; G204-D207 VanDerWaalsContact CA-OD2 3.26Å; G204-D207 WeakPolarHBondContact CA-OD2 3.36Å; G204-D207 VanDerWaalsContact N-CG 3.32Å; G204-D207 PolarHBondContact N-OD2 2.83Å; G204-D207 WeakPolarHBondContact O-CB 3.4Å; G204-D207 PolarHBondContact O-N 2.98Å; G204-D207 VanDerWaalsContact O-N 3.07Å
208	D	96.2	Very high	94	Very high	31 Å²	31	61 Å²	61	17%	0.166	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149	176.6	53.5	78.9	0	0	0	109.6	R171 R173 I174	R171-D208 IonicContact CZ-OD2 3.35Å; R171-D208 IonicContact NH1-OD1 3.56Å; R171-D208 IonicContact NH1-OD2 2.89Å; R171-D208 PolarHBondContact NH1-OD2 3.36Å; R171-D208 IonicContact NH2-OD2 2.83Å; R171-D208 PolarHBondContact NH2-OD2 3.45Å; R173-D208 HydrophobicContact CB-CB 3.58Å; R173-D208 VanDerWaalsContact CB-OD1 3.26Å; R173-D208 WeakPolarHBondContact CB-OD1 3.32Å; R173-D208 HydrophobicContact CG-CB 4.48Å; R173-D208 VanDerWaalsContact CG-OD1 3.23Å; R173-D208 WeakPolarHBondContact CG-OD1 3.37Å; I174-D208 CarbonylContact O-C 3.58Å; I174-D208 VanDerWaalsContact O-CA 3.22Å; I174-D208 WeakPolarHBondContact O-CA 3.36Å
209	I	96.8	Very high	94.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.3	-171	-49.7	-176.1	0	0	0	109	R173 I174 V176 I179 L201 P202 E213 F214	R173-I209 WeakPolarHBondContact CA-O 3.38Å; I174-I209 HydrophobicContact CB-CB 4.4Å; I174-I209 PolarHBondContact N-O 3.41Å; I174-I209 PolarHBondContact O-N 3.35Å; V176-I209 HydrophobicContact CG2-CD1 4.06Å; V176-I209 HydrophobicContact CG2-CG1 3.86Å; I179-I209 HydrophobicContact CD1-CD1 3.64Å; L201-I209 HydrophobicContact CB-CD1 4.28Å; L201-I209 HydrophobicContact CD2-CG2 4.05Å; P202-I209 HydrophobicContact CB-CG1 4.1Å; P202-I209 HydrophobicContact CG-CG1 4.08Å; I209-E213 HydrophobicContact CG2-CB 4.39Å; I209-F214 HydrophobicContact CG2-CB 4.14Å
210	D	95.4	Very high	94.2	Very high	33 Å²	33	57 Å²	57	18%	0.176	30%	0.299	C	S	.	.			trans	-62.5	127.9	165.9	-157.7	-59.4	0	0	0	110.1	R173 N212 E213 F214	R173-D210 IonicContact CZ-OD2 3.04Å; R173-D210 VanDerWaalsContact NH1-CG 3.26Å; R173-D210 IonicContact NH1-OD2 3.8Å; R173-D210 PolarHBondContact NH1-OD2 2.99Å; R173-D210 IonicContact NH2-OD2 3.65Å; D210-N212 PolarHBondContact O-N 3.44Å; D210-N212 VanDerWaalsContact O-N 3.11Å; D210-N212 WeakPolarHBondContact OD1-CB 3.42Å; D210-N212 PolarHBondContact OD1-N 2.94Å; D210-N212 PolarHBondContact OD1-ND2 3.4Å; D210-E213 HydrophobicContact CB-CB 4.05Å; D210-E213 HydrophobicContact CB-CG 3.8Å; D210-E213 PolarHBondContact O-N 2.97Å; D210-F214 PolarHBondContact O-N 3.07Å
211	P	94.2	Very high	94.2	Very high	36 Å²	36	55.3 Å²	55.3	23%	0.234	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-53.2	-33.3	174.9	-25.6	34.3	0	0	0	113.8	L168 I174 E213 F214	L168-P211 HydrophobicContact CD2-CG 3.64Å; I174-P211 HydrophobicContact CD1-CB 4.22Å; I174-P211 HydrophobicContact CD1-CG 4.34Å; I174-P211 HydrophobicContact CG1-CB 4.49Å; I174-P211 HydrophobicContact CG1-CG 4.08Å; P211-E213 VanDerWaalsContact C-N 3.33Å; P211-E213 PolarHBondContact O-N 3.27Å; P211-F214 PolarHBondContact O-N 3.49Å
212	N	94.5	Very high	94.1	Very high	143 Å²	143	55 Å²	55	77%	0.765	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-72.6	-25.3	179.6	-58.4	-60.4	0	0	0	113.1	D210 F214	D210-N212 PolarHBondContact O-N 3.44Å; D210-N212 VanDerWaalsContact O-N 3.11Å; D210-N212 WeakPolarHBondContact OD1-CB 3.42Å; D210-N212 PolarHBondContact OD1-N 2.94Å; D210-N212 PolarHBondContact OD1-ND2 3.4Å; N212-F214 VanDerWaalsContact C-N 3.27Å
213	E	95.1	Very high	94.1	Very high	98 Å²	98	53.5 Å²	53.5	46%	0.458	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-80.6	-10.3	176.7	-70.8	178.5	176.2	0	0	112.7	L201 I209 D210 P211 P215 K218	L201-E213 HydrophobicContact CD2-CB 4.41Å; L201-E213 WeakPolarHBondContact CD2-O 3.44Å; I209-E213 HydrophobicContact CG2-CB 4.39Å; D210-E213 HydrophobicContact CB-CB 4.05Å; D210-E213 HydrophobicContact CB-CG 3.8Å; D210-E213 PolarHBondContact O-N 2.97Å; P211-E213 VanDerWaalsContact C-N 3.33Å; P211-E213 PolarHBondContact O-N 3.27Å; E213-P215 WeakPolarHBondContact O-CD 3.4Å; E213-K218 WeakPolarHBondContact O-CD 3.41Å
214	F	96.2	Very high	94	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-115.9	60.1	-178.1	-160.9	-116.2	0	0	0	112.7	W161 T165 I174 I179 L201 I209 D210 P211 N212 K218 F219 L222	W161-F214 AromaticContact CD1-CE1 3.99Å; W161-F214 AromaticContact NE1-CD1 3.93Å; W161-F214 PolarHBondContact NE1-O 3.42Å; T165-F214 HydrophobicContact CG2-CD1 4.47Å; I174-F214 HydrophobicContact CD1-CB 4.27Å; I174-F214 HydrophobicContact CD1-CD1 4.27Å; I179-F214 HydrophobicContact CD1-CD1 4.46Å; I179-F214 HydrophobicContact CD1-CE1 4.02Å; I179-F214 HydrophobicContact CD1-CE2 4.37Å; I179-F214 HydrophobicContact CD1-CZ 3.97Å; L201-F214 HydrophobicContact CD1-CD2 3.47Å; L201-F214 VanDerWaalsContact CD1-CD2 3.47Å; L201-F214 HydrophobicContact CD1-CE2 3.6Å; L201-F214 HydrophobicContact CD2-CD2 4.32Å; I209-F214 HydrophobicContact CG2-CB 4.14Å; D210-F214 PolarHBondContact O-N 3.07Å; P211-F214 PolarHBondContact O-N 3.49Å; N212-F214 VanDerWaalsContact C-N 3.27Å; F214-K218 HydrophobicContact CD2-CB 4.38Å; F214-F219 HydrophobicContact CE1-CB 4.03Å; F214-F219 HydrophobicContact CE1-CD2 4.17Å; F214-F219 HydrophobicContact CZ-CB 3.91Å; F214-F219 HydrophobicContact CZ-CD2 4.06Å; F214-F219 HydrophobicContact CZ-CG 4.5Å; F214-L222 HydrophobicContact CE2-CD2 4.46Å; F214-L222 HydrophobicContact CZ-CD2 4.22Å
215	P	96.4	Very high	94	Very high	61 Å²	61	55 Å²	55	40%	0.396	27%	0.274	S	S	.	.			trans	-66.4	164.7	175.5	31.8	-36.7	0	0	0	111.6	E213 E217 K218 F219	E213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-E217 PolarHBondContact O-N 2.81Å; P215-E217 VanDerWaalsContact O-N 3.14Å; P215-K218 HydrophobicContact CG-CG 4.18Å; P215-K218 PolarHBondContact O-N 3.23Å; P215-F219 PolarHBondContact O-N 3.48Å
216	F	95.9	Very high	94.1	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.066	25%	0.246	C	C	.	.	H	α-helix	trans	-52.5	-39.8	-177.5	177.5	-109.2	0	0	0	113.3	M154 L157 R158 W161 K218 F219 Y220	M154-F216 HydrophobicContact SD-CE1 4.19Å; M154-F216 HydrophobicContact SD-CZ 3.9Å; L157-F216 HydrophobicContact CB-CE2 4.39Å; R158-F216 VanDerWaalsContact CA-CE2 3.42Å; R158-F216 HydrophobicContact CB-CD2 4.05Å; R158-F216 HydrophobicContact CB-CE2 3.73Å; R158-F216 HydrophobicContact CB-CZ 4.15Å; R158-F216 HydrophobicContact CG-CD2 4.1Å; R158-F216 HydrophobicContact CG-CE2 4.28Å; R158-F216 HydrophobicContact CG-CG 4.49Å; W161-F216 HydrophobicContact CB-CD2 3.9Å; W161-F216 HydrophobicContact CB-CE2 4.42Å; W161-F216 HydrophobicContact CD2-CB 3.89Å; W161-F216 HydrophobicContact CD2-CD2 4.02Å; W161-F216 HydrophobicContact CD2-CG 4.47Å; W161-F216 VanDerWaalsContact CE2-N 3.32Å; W161-F216 HydrophobicContact CE3-CB 3.99Å; W161-F216 HydrophobicContact CE3-CD2 4.13Å; W161-F216 HydrophobicContact CE3-CG 4.49Å; W161-F216 HydrophobicContact CG-CB 4.43Å; W161-F216 AromaticContact CG-CD2 3.92Å; W161-F216 HydrophobicContact CG-CD2 3.92Å; W161-F216 HydrophobicContact CH2-CB 4.38Å; W161-F216 HydrophobicContact CZ2-CB 4.29Å; W161-F216 HydrophobicContact CZ3-CB 4.24Å; F216-K218 VanDerWaalsContact C-N 3.33Å; F216-K218 PolarHBondContact O-N 3.12Å; F216-F219 HydrophobicContact CD2-CD1 4.32Å; F216-F219 HydrophobicContact CE2-CD1 4.18Å; F216-F219 CarbonylContact O-C 3.55Å; F216-F219 WeakPolarHBondContact O-CA 3.49Å; F216-F219 WeakPolarHBondContact O-CB 3.18Å; F216-F219 PolarHBondContact O-N 2.81Å; F216-Y220 HydrophobicContact CZ-CD2 4.23Å; F216-Y220 WeakPolarHBondContact O-CB 3.5Å; F216-Y220 PolarHBondContact O-N 3.12Å
217	E	94.6	Very high	94	Very high	82 Å²	82	41.6 Å²	41.6	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-32.5	-177.5	-57.7	-56.5	175.4	0	0	113.1	P215 F219 Y220 E221 R303	P215-E217 PolarHBondContact O-N 2.81Å; P215-E217 VanDerWaalsContact O-N 3.14Å; E217-F219 VanDerWaalsContact C-N 3.35Å; E217-Y220 PolarHBondContact O-N 3.34Å; E217-E221 WeakPolarHBondContact O-CG 3.13Å; E217-E221 PolarHBondContact O-N 3.15Å; E217-R303 IonicContact OE1-NH1 3.5Å; E217-R303 PolarHBondContact OE1-NH1 2.91Å; E217-R303 IonicContact OE1-NH2 3.75Å; E217-R303 IonicContact OE2-CZ 2.86Å; E217-R303 IonicContact OE2-NH1 3.88Å; E217-R303 IonicContact OE2-NH2 3.21Å; E217-R303 PolarHBondContact OE2-NH2 2.89Å
218	K	95	Very high	93.7	Very high	56 Å²	56	39.6 Å²	39.6	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-37.5	171	-74.6	-156.7	-176.6	-173.9	0	112	L199 L201 E213 F214 P215 F216 L222	L199-K218 PolarHBondContact O-NZ 3.38Å; L201-K218 HydrophobicContact CD1-CD 4.06Å; L201-K218 HydrophobicContact CD2-CD 4.03Å; L201-K218 HydrophobicContact CG-CD 4.19Å; E213-K218 WeakPolarHBondContact O-CD 3.41Å; F214-K218 HydrophobicContact CD2-CB 4.38Å; P215-K218 HydrophobicContact CG-CG 4.18Å; P215-K218 PolarHBondContact O-N 3.23Å; F216-K218 VanDerWaalsContact C-N 3.33Å; F216-K218 PolarHBondContact O-N 3.12Å; K218-L222 VanDerWaalsContact O-CB 3.32Å; K218-L222 WeakPolarHBondContact O-CB 3.25Å; K218-L222 PolarHBondContact O-N 2.69Å
219	F	95.8	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-39.1	174.2	171.7	-98.1	0	0	0	111.8	L157 H160 W161 L164 F183 F214 P215 F216 E217 L222 Y223	L157-F219 HydrophobicContact CB-CE1 4.39Å; L157-F219 HydrophobicContact CD2-CE1 4.23Å; H160-F219 AromaticContact CD2-CZ 3.98Å; W161-F219 HydrophobicContact CB-CB 4.36Å; W161-F219 HydrophobicContact CB-CD1 3.65Å; W161-F219 HydrophobicContact CB-CE1 4.04Å; W161-F219 HydrophobicContact CB-CG 3.93Å; W161-F219 VanDerWaalsContact CD1-CB 3.45Å; W161-F219 AromaticContact CD1-CG 3.87Å; W161-F219 HydrophobicContact CG-CB 4.12Å; W161-F219 HydrophobicContact CG-CD1 4.3Å; W161-F219 HydrophobicContact CG-CG 4.22Å; L164-F219 HydrophobicContact CD1-CD2 4Å; L164-F219 HydrophobicContact CD1-CE2 3.69Å; F183-F219 HydrophobicContact CZ-CE2 4.2Å; F214-F219 HydrophobicContact CE1-CB 4.03Å; F214-F219 HydrophobicContact CE1-CD2 4.17Å; F214-F219 HydrophobicContact CZ-CB 3.91Å; F214-F219 HydrophobicContact CZ-CD2 4.06Å; F214-F219 HydrophobicContact CZ-CG 4.5Å; P215-F219 PolarHBondContact O-N 3.48Å; F216-F219 HydrophobicContact CD2-CD1 4.32Å; F216-F219 HydrophobicContact CE2-CD1 4.18Å; F216-F219 CarbonylContact O-C 3.55Å; F216-F219 WeakPolarHBondContact O-CA 3.49Å; F216-F219 WeakPolarHBondContact O-CB 3.18Å; F216-F219 PolarHBondContact O-N 2.81Å; E217-F219 VanDerWaalsContact C-N 3.35Å; F219-L222 WeakPolarHBondContact O-CB 3.47Å; F219-L222 PolarHBondContact O-N 3.03Å; F219-Y223 WeakPolarHBondContact O-CB 3.16Å; F219-Y223 PolarHBondContact O-N 2.9Å
220	Y	94.8	Very high	93.4	Very high	6 Å²	6	41 Å²	41	2%	0.024	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-41.4	178.3	-174.6	-99.7	0	0	0	112.1	M154 L157 F216 E217 L222 Y223 H224 E299	M154-Y220 HydrophobicContact CE-CD2 4.43Å; M154-Y220 HydrophobicContact CE-CE2 3.55Å; M154-Y220 HydrophobicContact SD-CD2 4.22Å; M154-Y220 HydrophobicContact SD-CE2 3.9Å; L157-Y220 HydrophobicContact CD1-CD2 4.49Å; F216-Y220 HydrophobicContact CZ-CD2 4.23Å; F216-Y220 WeakPolarHBondContact O-CB 3.5Å; F216-Y220 PolarHBondContact O-N 3.12Å; E217-Y220 PolarHBondContact O-N 3.34Å; Y220-L222 VanDerWaalsContact C-N 3.34Å; Y220-L222 PolarHBondContact O-N 3.44Å; Y220-Y223 HydrophobicContact CD2-CD1 4.34Å; Y220-Y223 HydrophobicContact CE2-CD1 4.35Å; Y220-Y223 WeakPolarHBondContact O-CB 3.44Å; Y220-Y223 PolarHBondContact O-N 2.94Å; Y220-H224 AromaticContact CD1-CD2 3.91Å; Y220-H224 AromaticContact CE1-CD2 3.38Å; Y220-H224 WeakPolarHBondContact CE1-CD2 3.37Å; Y220-H224 AromaticContact CE1-NE2 3.43Å; Y220-H224 WeakPolarHBondContact CE1-NE2 3.39Å; Y220-H224 AromaticContact CE2-NE2 3.77Å; Y220-H224 AromaticContact CZ-CD2 3.51Å; Y220-H224 AromaticContact CZ-NE2 3.11Å; Y220-H224 PolarHBondContact O-N 2.85Å; Y220-H224 VanDerWaalsContact O-N 3.1Å; Y220-H224 PolarHBondContact OH-NE2 3.43Å; Y220-E299 WeakPolarHBondContact CE1-OE1 3.27Å; Y220-E299 PolarHBondContact OH-OE1 3.5Å
221	E	93.3	Very high	93.3	Very high	110 Å²	110	40.2 Å²	40.2	51%	0.514	21%	0.205	S	C	.	.	H	α-helix	trans	-60.6	-43.5	169.9	-76.7	-179.4	-145.3	0	0	111.8	L199 E217 Y223 H224 K225	L199-E221 HydrophobicContact CD2-CB 4.06Å; L199-E221 WeakPolarHBondContact CD2-OE2 3.4Å; E217-E221 WeakPolarHBondContact O-CG 3.13Å; E217-E221 PolarHBondContact O-N 3.15Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; E221-Y223 PolarHBondContact O-N 3.24Å; E221-H224 PolarHBondContact O-N 2.89Å; E221-K225 WeakPolarHBondContact O-CB 3.46Å; E221-K225 PolarHBondContact O-N 3Å
222	L	92.9	Very high	93.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-42.4	176.1	-174.4	65.8	0	0	0	111.7	I179 F183 L196 L199 F214 K218 F219 Y220 K225 I226	I179-L222 HydrophobicContact CG2-CD2 3.85Å; F183-L222 HydrophobicContact CE2-CD2 3.98Å; F183-L222 HydrophobicContact CE2-CG 4.28Å; F183-L222 HydrophobicContact CZ-CD2 4.44Å; F183-L222 HydrophobicContact CZ-CG 4.38Å; L196-L222 HydrophobicContact CD2-CD1 4.28Å; L196-L222 HydrophobicContact CD2-CD2 3.84Å; L196-L222 HydrophobicContact CG-CD1 4.47Å; L199-L222 HydrophobicContact CD1-CB 3.83Å; L199-L222 HydrophobicContact CD1-CD1 4.04Å; L199-L222 HydrophobicContact CD1-CG 4.48Å; F214-L222 HydrophobicContact CE2-CD2 4.46Å; F214-L222 HydrophobicContact CZ-CD2 4.22Å; K218-L222 VanDerWaalsContact O-CB 3.32Å; K218-L222 WeakPolarHBondContact O-CB 3.25Å; K218-L222 PolarHBondContact O-N 2.69Å; F219-L222 WeakPolarHBondContact O-CB 3.47Å; F219-L222 PolarHBondContact O-N 3.03Å; Y220-L222 VanDerWaalsContact C-N 3.34Å; Y220-L222 PolarHBondContact O-N 3.44Å; L222-K225 PolarHBondContact O-N 3.29Å; L222-I226 HydrophobicContact CD1-CD1 3.51Å; L222-I226 HydrophobicContact CD1-CG1 4.19Å; L222-I226 HydrophobicContact CD2-CD1 4.42Å; L222-I226 HydrophobicContact CG-CD1 3.66Å; L222-I226 WeakPolarHBondContact O-CB 3.35Å; L222-I226 WeakPolarHBondContact O-CG1 3.4Å; L222-I226 PolarHBondContact O-N 2.86Å
223	Y	92.6	Very high	93.4	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-56.1	-54.3	175.3	160.1	-107.9	0	0	0	111.1	L157 F219 Y220 E221 K225 I226 C227 R229 F747	L157-Y223 HydrophobicContact CD1-CD1 4.08Å; L157-Y223 HydrophobicContact CD1-CE1 3.99Å; L157-Y223 HydrophobicContact CD1-CG 4.41Å; L157-Y223 HydrophobicContact CD2-CD2 4.37Å; F219-Y223 WeakPolarHBondContact O-CB 3.16Å; F219-Y223 PolarHBondContact O-N 2.9Å; Y220-Y223 HydrophobicContact CD2-CD1 4.34Å; Y220-Y223 HydrophobicContact CE2-CD1 4.35Å; Y220-Y223 WeakPolarHBondContact O-CB 3.44Å; Y220-Y223 PolarHBondContact O-N 2.94Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; E221-Y223 PolarHBondContact O-N 3.24Å; Y223-K225 VanDerWaalsContact C-N 3.34Å; Y223-K225 PolarHBondContact O-N 2.81Å; Y223-I226 PolarHBondContact O-N 3.15Å; Y223-C227 HydrophobicContact CD2-CB 4Å; Y223-C227 HydrophobicContact CE2-CB 3.95Å; Y223-C227 WeakPolarHBondContact O-CA 3.17Å; Y223-C227 VanDerWaalsContact O-CB 3.26Å; Y223-C227 WeakPolarHBondContact O-CB 3.28Å; Y223-C227 PolarHBondContact O-N 2.74Å; Y223-R229 WeakPolarHBondContact OH-CD 3.26Å; Y223-F747 AromaticContact CD2-CE2 3.64Å; Y223-F747 HydrophobicContact CD2-CE2 3.64Å; Y223-F747 AromaticContact CD2-CZ 3.65Å; Y223-F747 HydrophobicContact CD2-CZ 3.65Å; Y223-F747 AromaticContact CE2-CE2 3.45Å; Y223-F747 HydrophobicContact CE2-CE2 3.45Å; Y223-F747 VanDerWaalsContact CE2-CE2 3.45Å; Y223-F747 AromaticContact CE2-CZ 3.91Å; Y223-F747 HydrophobicContact CE2-CZ 3.91Å
224	H	90.4	Very high	93.4	Very high	35 Å²	35	36 Å²	36	16%	0.162	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-37.3	-179.8	-85.4	-63.1	0	0	0	113	Y220 E221 P228 Y302	Y220-H224 AromaticContact CD1-CD2 3.91Å; Y220-H224 AromaticContact CE1-CD2 3.38Å; Y220-H224 WeakPolarHBondContact CE1-CD2 3.37Å; Y220-H224 AromaticContact CE1-NE2 3.43Å; Y220-H224 WeakPolarHBondContact CE1-NE2 3.39Å; Y220-H224 AromaticContact CE2-NE2 3.77Å; Y220-H224 AromaticContact CZ-CD2 3.51Å; Y220-H224 AromaticContact CZ-NE2 3.11Å; Y220-H224 PolarHBondContact O-N 2.85Å; Y220-H224 VanDerWaalsContact O-N 3.1Å; Y220-H224 PolarHBondContact OH-NE2 3.43Å; E221-H224 PolarHBondContact O-N 2.89Å; H224-P228 WeakPolarHBondContact O-CA 3.49Å; H224-Y302 AromaticContact CE1-CD1 3.96Å; H224-Y302 AromaticContact CE1-CD2 3.83Å; H224-Y302 AromaticContact CE1-CE1 3.94Å; H224-Y302 AromaticContact CE1-CE2 3.82Å; H224-Y302 AromaticContact CE1-CG 3.92Å; H224-Y302 AromaticContact CE1-CZ 3.88Å
225	K	89.1	Confident	93.3	Very high	94 Å²	94	36.5 Å²	36.5	41%	0.409	18%	0.184	S	C	.	.	H	α-helix	trans	-65.3	-40.8	178.5	-127.9	179.3	-169.7	-178.1	0	112.7	R187 D198 E221 L222 Y223	R187-K225 PolarHBondContact NH1-O 3.04Å; D198-K225 IonicContact OD2-NZ 2.85Å; D198-K225 PolarHBondContact OD2-NZ 3.31Å; E221-K225 WeakPolarHBondContact O-CB 3.46Å; E221-K225 PolarHBondContact O-N 3Å; L222-K225 PolarHBondContact O-N 3.29Å; Y223-K225 VanDerWaalsContact C-N 3.34Å; Y223-K225 PolarHBondContact O-N 2.81Å
226	I	89.6	Confident	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-86.8	-37.4	-175.5	-62.1	170.7	0	0	0	111.5	F183 R187 V192 L222 Y223 P228 L783	F183-I226 HydrophobicContact CB-CD1 4.49Å; F183-I226 HydrophobicContact CB-CG2 3.99Å; F183-I226 HydrophobicContact CD1-CB 4.05Å; F183-I226 HydrophobicContact CD1-CD1 4.04Å; F183-I226 HydrophobicContact CD1-CG2 3.6Å; F183-I226 HydrophobicContact CD2-CD1 3.78Å; F183-I226 HydrophobicContact CE1-CB 4.26Å; F183-I226 HydrophobicContact CE1-CD1 4.17Å; F183-I226 HydrophobicContact CE1-CG2 4.31Å; F183-I226 HydrophobicContact CE2-CD1 3.93Å; F183-I226 HydrophobicContact CG-CD1 3.84Å; F183-I226 HydrophobicContact CG-CG2 3.93Å; F183-I226 HydrophobicContact CZ-CD1 4.12Å; R187-I226 WeakPolarHBondContact CD-O 3.34Å; R187-I226 VanDerWaalsContact CZ-O 3.23Å; R187-I226 PolarHBondContact NE-O 3.15Å; V192-I226 HydrophobicContact CB-CD1 4.17Å; V192-I226 HydrophobicContact CG1-CD1 3.77Å; V192-I226 HydrophobicContact CG2-CD1 3.98Å; L222-I226 HydrophobicContact CD1-CD1 3.51Å; L222-I226 HydrophobicContact CD1-CG1 4.19Å; L222-I226 HydrophobicContact CD2-CD1 4.42Å; L222-I226 HydrophobicContact CG-CD1 3.66Å; L222-I226 WeakPolarHBondContact O-CB 3.35Å; L222-I226 WeakPolarHBondContact O-CG1 3.4Å; L222-I226 PolarHBondContact O-N 2.86Å; Y223-I226 PolarHBondContact O-N 3.15Å; I226-P228 VanDerWaalsContact C-CD 3.47Å; I226-P228 WeakPolarHBondContact O-CD 3.42Å; I226-L783 HydrophobicContact CG2-CD2 4.07Å
227	C	90.3	Very high	93.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-121.7	66.9	-173.2	-168.3	0	0	0	0	109.5	Y223 R229 L783	Y223-C227 HydrophobicContact CD2-CB 4Å; Y223-C227 HydrophobicContact CE2-CB 3.95Å; Y223-C227 WeakPolarHBondContact O-CA 3.17Å; Y223-C227 VanDerWaalsContact O-CB 3.26Å; Y223-C227 WeakPolarHBondContact O-CB 3.28Å; Y223-C227 PolarHBondContact O-N 2.74Å; C227-R229 PolarHBondContact O-N 3.08Å; C227-L783 HydrophobicContact CB-CD2 4.37Å
228	P	89.4	Confident	93.3	Very high	28 Å²	28	39.2 Å²	39.2	18%	0.182	20%	0.197	C	C	.	.			trans	-63.2	141	-178.1	30.3	-38.1	0	0	0	110	H224 I226 T230 N784	H224-P228 WeakPolarHBondContact O-CA 3.49Å; I226-P228 VanDerWaalsContact C-CD 3.47Å; I226-P228 WeakPolarHBondContact O-CD 3.42Å; P228-T230 PolarHBondContact O-N 3.33Å; P228-N784 PolarHBondContact O-ND2 2.93Å
229	R	93.7	Very high	93.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	19%	0.194	C	C	.	.			trans	-98	60.4	-177.5	-69.3	-59.1	-55.7	-87.4	5.8	110.6	Y223 C227 D231 I232 E233 Y302 H834	Y223-R229 WeakPolarHBondContact OH-CD 3.26Å; C227-R229 PolarHBondContact O-N 3.08Å; R229-D231 WeakPolarHBondContact CA-OD1 3.44Å; R229-D231 IonicContact CZ-OD1 3.87Å; R229-D231 IonicContact CZ-OD2 2.86Å; R229-D231 IonicContact NE-OD1 3.69Å; R229-D231 PolarHBondContact NE-OD1 2.99Å; R229-D231 IonicContact NE-OD2 2.83Å; R229-D231 PolarHBondContact NE-OD2 3.45Å; R229-D231 IonicContact NH2-OD1 3.26Å; R229-D231 IonicContact NH2-OD2 2.65Å; R229-D231 PolarHBondContact NH2-OD2 3.45Å; R229-D231 PolarHBondContact O-N 3.12Å; R229-D231 VanDerWaalsContact O-N 3.1Å; R229-I232 HydrophobicContact CB-CB 4.34Å; R229-I232 HydrophobicContact CB-CD1 4.43Å; R229-I232 VanDerWaalsContact CZ-CD1 3.41Å; R229-I232 VanDerWaalsContact NH2-CD1 3.32Å; R229-I232 PolarHBondContact O-N 3.14Å; R229-E233 WeakPolarHBondContact O-CG 3.48Å; R229-E233 PolarHBondContact O-N 3.32Å; R229-Y302 HydrophobicContact CB-CE1 3.57Å; R229-Y302 HydrophobicContact CG-CE1 4.23Å; R229-H834 PolarHBondContact NH1-NE2 2.81Å; R229-H834 PolarHBondContact NH2-NE2 2.72Å
230	T	92.9	Very high	93.3	Very high	59 Å²	59	38.5 Å²	38.5	36%	0.362	20%	0.196	S	C	.	.	H	α-helix	trans	-55	-31	179.7	56.3	0	0	0	0	112.2	P228 E233 D234	P228-T230 PolarHBondContact O-N 3.33Å; T230-E233 PolarHBondContact O-N 3.04Å; T230-D234 WeakPolarHBondContact O-CB 3.44Å; T230-D234 VanDerWaalsContact O-CG 3.25Å; T230-D234 PolarHBondContact O-N 3.09Å
231	D	93.3	Very high	93.1	Very high	16 Å²	16	44.9 Å²	44.9	9%	0.086	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-42.6	173.1	56.4	-31.7	0	0	0	113.7	R229 L235 I743 S744 F851	R229-D231 WeakPolarHBondContact CA-OD1 3.44Å; R229-D231 IonicContact CZ-OD1 3.87Å; R229-D231 IonicContact CZ-OD2 2.86Å; R229-D231 IonicContact NE-OD1 3.69Å; R229-D231 PolarHBondContact NE-OD1 2.99Å; R229-D231 IonicContact NE-OD2 2.83Å; R229-D231 PolarHBondContact NE-OD2 3.45Å; R229-D231 IonicContact NH2-OD1 3.26Å; R229-D231 IonicContact NH2-OD2 2.65Å; R229-D231 PolarHBondContact NH2-OD2 3.45Å; R229-D231 PolarHBondContact O-N 3.12Å; R229-D231 VanDerWaalsContact O-N 3.1Å; D231-L235 PolarHBondContact O-N 3.38Å; D231-I743 HydrophobicContact CB-CG2 3.8Å; D231-S744 WeakPolarHBondContact OD2-CB 3.38Å; D231-S744 PolarHBondContact OD2-OG 2.9Å; D231-F851 HydrophobicContact CB-CD1 4.33Å; D231-F851 VanDerWaalsContact OD2-CD1 3.25Å; D231-F851 WeakPolarHBondContact OD2-CD1 3.37Å
232	I	95.5	Very high	92.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-81.6	-34.5	176.1	-63.2	176.9	0	0	0	110.8	R229 D234 L235 F236 F301 Y302 L305 F851	R229-I232 HydrophobicContact CB-CB 4.34Å; R229-I232 HydrophobicContact CB-CD1 4.43Å; R229-I232 VanDerWaalsContact CZ-CD1 3.41Å; R229-I232 VanDerWaalsContact NH2-CD1 3.32Å; R229-I232 PolarHBondContact O-N 3.14Å; I232-D234 VanDerWaalsContact C-N 3.33Å; I232-D234 PolarHBondContact O-N 2.7Å; I232-L235 PolarHBondContact O-N 3.34Å; I232-F236 WeakPolarHBondContact O-CB 3.47Å; I232-F236 PolarHBondContact O-N 3.41Å; I232-F301 HydrophobicContact CG2-CD1 3.84Å; I232-F301 HydrophobicContact CG2-CE1 3.93Å; I232-Y302 HydrophobicContact CB-CD1 4.11Å; I232-Y302 HydrophobicContact CB-CE1 3.56Å; I232-Y302 HydrophobicContact CD1-CD1 3.77Å; I232-Y302 HydrophobicContact CD1-CE1 3.89Å; I232-Y302 HydrophobicContact CG1-CE1 4.29Å; I232-Y302 HydrophobicContact CG2-CD1 3.61Å; I232-Y302 HydrophobicContact CG2-CE1 3.42Å; I232-Y302 VanDerWaalsContact CG2-CE1 3.42Å; I232-L305 HydrophobicContact CD1-CD1 4.25Å; I232-L305 HydrophobicContact CG1-CD1 4.31Å; I232-L305 HydrophobicContact CG2-CD1 3.98Å; I232-F851 HydrophobicContact CG1-CE1 3.95Å; I232-F851 HydrophobicContact CG1-CZ 3.98Å
233	E	95.4	Very high	92.8	Very high	78 Å²	78	48.2 Å²	48.2	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-43.6	176.1	-65.3	173.3	177	0	0	111.5	R229 T230 F236 K237 I298 Y302	R229-E233 WeakPolarHBondContact O-CG 3.48Å; R229-E233 PolarHBondContact O-N 3.32Å; T230-E233 PolarHBondContact O-N 3.04Å; E233-F236 PolarHBondContact O-N 2.82Å; E233-K237 VanDerWaalsContact O-CB 3.26Å; E233-K237 WeakPolarHBondContact O-CB 3.17Å; E233-K237 PolarHBondContact O-N 3.02Å; E233-I298 HydrophobicContact CG-CD1 4.11Å; E233-Y302 WeakPolarHBondContact CG-OH 3.48Å; E233-Y302 PolarHBondContact OE1-OH 3.39Å
234	D	93.9	Very high	92.7	Very high	109 Å²	109	52.2 Å²	52.2	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-64.7	-41.4	176.8	-73.3	-27.4	0	0	0	111.4	T230 I232 K237 S238	T230-D234 WeakPolarHBondContact O-CB 3.44Å; T230-D234 VanDerWaalsContact O-CG 3.25Å; T230-D234 PolarHBondContact O-N 3.09Å; I232-D234 VanDerWaalsContact C-N 3.33Å; I232-D234 PolarHBondContact O-N 2.7Å; D234-K237 PolarHBondContact O-N 3.46Å; D234-S238 PolarHBondContact O-N 2.99Å
235	L	95.1	Very high	92.9	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.063	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-50.3	173.2	175.2	59	0	0	0	111.3	D231 I232 K237 S238 L239 F301 L305 Y832 F851	D231-L235 PolarHBondContact O-N 3.38Å; I232-L235 PolarHBondContact O-N 3.34Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 2.7Å; L235-S238 WeakPolarHBondContact O-CB 3.49Å; L235-S238 PolarHBondContact O-N 3.36Å; L235-S238 VanDerWaalsContact O-N 3.12Å; L235-S238 PolarHBondContact O-OG 2.77Å; L235-L239 HydrophobicContact CD1-CD1 4.21Å; L235-L239 HydrophobicContact CD1-CG 4.37Å; L235-L239 HydrophobicContact CG-CD1 4.3Å; L235-L239 WeakPolarHBondContact O-CG 3.5Å; L235-L239 PolarHBondContact O-N 2.83Å; L235-L239 VanDerWaalsContact O-N 3.12Å; L235-F301 HydrophobicContact CD2-CE1 4.05Å; L235-F301 HydrophobicContact CD2-CZ 3.93Å; L235-F301 HydrophobicContact CG-CE1 4.15Å; L235-F301 HydrophobicContact CG-CZ 4.14Å; L235-L305 HydrophobicContact CD2-CD1 4.41Å; L235-Y832 HydrophobicContact CD1-CD2 4.35Å; L235-Y832 HydrophobicContact CD1-CE1 4.3Å; L235-Y832 HydrophobicContact CD1-CE2 3.64Å; L235-Y832 HydrophobicContact CD2-CD1 3.82Å; L235-Y832 HydrophobicContact CD2-CD2 3.73Å; L235-Y832 HydrophobicContact CD2-CE1 3.94Å; L235-Y832 HydrophobicContact CD2-CE2 3.84Å; L235-Y832 HydrophobicContact CD2-CG 3.71Å; L235-Y832 HydrophobicContact CG-CE2 4.41Å; L235-F851 HydrophobicContact CD2-CZ 4.49Å
236	F	96.8	Very high	93.2	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-45	178.5	-178.6	-88.9	0	0	0	111.2	I232 E233 S238 L239 S240 S244 I246 I298 F301	I232-F236 WeakPolarHBondContact O-CB 3.47Å; I232-F236 PolarHBondContact O-N 3.41Å; E233-F236 PolarHBondContact O-N 2.82Å; F236-S238 VanDerWaalsContact C-N 3.28Å; F236-S238 PolarHBondContact O-N 2.84Å; F236-L239 PolarHBondContact O-N 2.87Å; F236-L239 VanDerWaalsContact O-N 3.13Å; F236-S240 WeakPolarHBondContact O-CB 3.36Å; F236-S240 PolarHBondContact O-N 3.02Å; F236-S240 PolarHBondContact O-OG 2.79Å; F236-S244 WeakPolarHBondContact CZ-O 2.91Å; F236-I246 HydrophobicContact CD2-CD1 3.34Å; F236-I246 HydrophobicContact CD2-CG1 3.88Å; F236-I246 HydrophobicContact CE2-CB 4.45Å; F236-I246 HydrophobicContact CE2-CD1 3.44Å; F236-I246 VanDerWaalsContact CE2-CD1 3.44Å; F236-I246 HydrophobicContact CE2-CG1 3.53Å; F236-I246 HydrophobicContact CG-CD1 4.14Å; F236-I246 HydrophobicContact CZ-CD1 4.3Å; F236-I246 HydrophobicContact CZ-CG1 3.92Å; F236-I298 HydrophobicContact CB-CD1 4.24Å; F236-I298 HydrophobicContact CB-CG1 4.25Å; F236-I298 HydrophobicContact CD1-CB 4.21Å; F236-I298 HydrophobicContact CD1-CD1 4.05Å; F236-I298 HydrophobicContact CD1-CG1 4.13Å; F236-I298 HydrophobicContact CD2-CB 3.98Å; F236-I298 HydrophobicContact CD2-CG1 3.87Å; F236-I298 HydrophobicContact CE1-CB 4.03Å; F236-I298 HydrophobicContact CE1-CG1 4.46Å; F236-I298 HydrophobicContact CE2-CB 3.79Å; F236-I298 HydrophobicContact CE2-CG1 4.22Å; F236-I298 HydrophobicContact CG-CB 4.18Å; F236-I298 HydrophobicContact CG-CD1 4.05Å; F236-I298 HydrophobicContact CG-CG1 3.81Å; F236-I298 HydrophobicContact CZ-CB 3.8Å; F236-I298 HydrophobicContact CZ-CG1 4.49Å; F236-F301 HydrophobicContact CB-CD1 4.17Å; F236-F301 HydrophobicContact CB-CE1 4.31Å; F236-F301 HydrophobicContact CD2-CB 3.95Å; F236-F301 AromaticContact CD2-CD1 3.81Å; F236-F301 HydrophobicContact CD2-CD1 3.81Å; F236-F301 AromaticContact CD2-CG 3.97Å; F236-F301 HydrophobicContact CD2-CG 3.97Å; F236-F301 HydrophobicContact CE2-CB 4.21Å
237	K	95.7	Very high	93.5	Very high	132 Å²	132	51.4 Å²	51.4	57%	0.574	28%	0.284	S	S	*	.	H	α-helix	trans	-61.4	-37.1	178.3	-169	-178.5	-178.8	179.6	0	112.3	E233 D234 L235 S240 N241 G242	E233-K237 VanDerWaalsContact O-CB 3.26Å; E233-K237 WeakPolarHBondContact O-CB 3.17Å; E233-K237 PolarHBondContact O-N 3.02Å; D234-K237 PolarHBondContact O-N 3.46Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 2.7Å; K237-S240 PolarHBondContact O-OG 2.94Å; K237-N241 PolarHBondContact O-N 3.26Å; K237-N241 VanDerWaalsContact O-N 3.12Å; K237-G242 PolarHBondContact O-N 2.8Å; K237-G242 VanDerWaalsContact O-N 3.08Å
238	S	94.6	Very high	93.7	Very high	74 Å²	74	51.4 Å²	51.4	52%	0.517	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-37.4	175.6	79.4	0	0	0	0	112.3	D234 L235 F236	D234-S238 PolarHBondContact O-N 2.99Å; L235-S238 WeakPolarHBondContact O-CB 3.49Å; L235-S238 PolarHBondContact O-N 3.36Å; L235-S238 VanDerWaalsContact O-N 3.12Å; L235-S238 PolarHBondContact O-OG 2.77Å; F236-S238 VanDerWaalsContact C-N 3.28Å; F236-S238 PolarHBondContact O-N 2.84Å
239	L	94.8	Very high	94	Very high	34 Å²	34	53.9 Å²	53.9	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-78.3	-33.4	178.5	-63.9	173.8	0	0	0	112.6	L235 F236 I246 F254 F301	L235-L239 HydrophobicContact CD1-CD1 4.21Å; L235-L239 HydrophobicContact CD1-CG 4.37Å; L235-L239 HydrophobicContact CG-CD1 4.3Å; L235-L239 WeakPolarHBondContact O-CG 3.5Å; L235-L239 PolarHBondContact O-N 2.83Å; L235-L239 VanDerWaalsContact O-N 3.12Å; F236-L239 PolarHBondContact O-N 2.87Å; F236-L239 VanDerWaalsContact O-N 3.13Å; L239-I246 HydrophobicContact CB-CD1 3.74Å; L239-I246 HydrophobicContact CB-CG1 4.1Å; L239-I246 HydrophobicContact CD1-CD1 4.03Å; L239-F254 HydrophobicContact CD1-CB 4.34Å; L239-F254 HydrophobicContact CD1-CD1 4.36Å; L239-F254 HydrophobicContact CD1-CD2 3.79Å; L239-F254 HydrophobicContact CD1-CE2 4.14Å; L239-F254 HydrophobicContact CD1-CG 3.9Å; L239-F254 HydrophobicContact CD2-CB 4.11Å; L239-F254 HydrophobicContact CD2-CD2 3.96Å; L239-F254 HydrophobicContact CD2-CG 4.28Å; L239-F301 HydrophobicContact CD1-CE2 4.14Å; L239-F301 HydrophobicContact CD1-CZ 3.81Å
240	S	94.6	Very high	94.1	Very high	7 Å²	7	57.8 Å²	57.8	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-86.5	-7.6	-178.2	76.3	0	0	0	0	114	F236 K237 G242 K243 H245	F236-S240 WeakPolarHBondContact O-CB 3.36Å; F236-S240 PolarHBondContact O-N 3.02Å; F236-S240 PolarHBondContact O-OG 2.79Å; K237-S240 PolarHBondContact O-OG 2.94Å; S240-G242 PolarHBondContact O-N 2.56Å; S240-G242 PolarHBondContact OG-N 2.91Å; S240-K243 WeakPolarHBondContact CB-O 3.35Å; S240-K243 WeakPolarHBondContact O-CB 3.2Å; S240-K243 WeakPolarHBondContact O-CG 3.43Å; S240-K243 PolarHBondContact O-N 3.1Å; S240-K243 PolarHBondContact OG-N 3.48Å; S240-K243 PolarHBondContact OG-O 3.35Å; S240-H245 VanDerWaalsContact CB-O 3.28Å; S240-H245 WeakPolarHBondContact CB-O 3.27Å
241	N	91.3	Very high	94.3	Very high	140 Å²	140	55 Å²	55	75%	0.749	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.8	-166.9	-71.4	-35.7	0	0	0	112.3	K237	K237-N241 PolarHBondContact O-N 3.26Å; K237-N241 VanDerWaalsContact O-N 3.12Å
242	G	88.1	Confident	94.4	Very high	51 Å²	51	55.5 Å²	55.5	53%	0.526	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	4.2	178.5	0	0	0	0	0	116	K237 S240	K237-G242 PolarHBondContact O-N 2.8Å; K237-G242 VanDerWaalsContact O-N 3.08Å; S240-G242 PolarHBondContact O-N 2.56Å; S240-G242 PolarHBondContact OG-N 2.91Å
243	K	91.5	Very high	94.4	Very high	130 Å²	130	59.2 Å²	59.2	57%	0.565	32%	0.316	S	S	*	.			trans	-77.3	164.2	172.9	-62.7	179.3	-180	-176.9	0	111.7	S240 H245	S240-K243 WeakPolarHBondContact CB-O 3.35Å; S240-K243 WeakPolarHBondContact O-CB 3.2Å; S240-K243 WeakPolarHBondContact O-CG 3.43Å; S240-K243 PolarHBondContact O-N 3.1Å; S240-K243 PolarHBondContact OG-N 3.48Å; S240-K243 PolarHBondContact OG-O 3.35Å; K243-H245 VanDerWaalsContact C-N 3.26Å; K243-H245 PolarHBondContact O-N 2.76Å
244	S	91.4	Very high	94.5	Very high	87 Å²	87	55.7 Å²	55.7	61%	0.608	30%	0.299	S	S	*	.	S	Bend	trans	-76.3	-8.6	175.6	52.6	0	0	0	0	114.3	F236	F236-S244 WeakPolarHBondContact CZ-O 2.91Å
245	H	94.1	Very high	94.5	Very high	33 Å²	33	51.1 Å²	51.1	15%	0.153	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.5	-179.2	55.6	-109.1	0	0	0	111.1	S240 K243 F290 E295 V296	S240-H245 VanDerWaalsContact CB-O 3.28Å; S240-H245 WeakPolarHBondContact CB-O 3.27Å; K243-H245 VanDerWaalsContact C-N 3.26Å; K243-H245 PolarHBondContact O-N 2.76Å; H245-F290 HydrophobicContact CB-CD1 4.39Å; H245-F290 HydrophobicContact CB-CE1 3.76Å; H245-F290 HydrophobicContact CB-CZ 4.3Å; H245-E295 HydrophobicContact CB-CB 4.09Å; H245-E295 IonicContact CD2-OE1 3.7Å; H245-E295 IonicContact CD2-OE2 2.91Å; H245-E295 IonicContact CE1-OE1 3.35Å; H245-E295 PolarHBondContact CE1-OE1 2.82Å; H245-E295 IonicContact CE1-OE2 2.73Å; H245-E295 IonicContact CG-OE2 3.73Å; H245-E295 IonicContact ND1-OE1 2.77Å; H245-E295 IonicContact ND1-OE2 3.48Å; H245-E295 PolarHBondContact ND1-OE2 2.83Å; H245-E295 IonicContact NE2-OE1 2.7Å; H245-E295 PolarHBondContact NE2-OE1 3.33Å; H245-E295 IonicContact NE2-OE2 3.71Å; H245-V296 CarbonylContact C-O 3.6Å; H245-V296 WeakPolarHBondContact CA-O 3.4Å
246	I	95.9	Very high	94.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.1	168.4	-64.3	168.1	0	0	0	108.2	F236 L239 K250 M251 E295 V296 F301	F236-I246 HydrophobicContact CD2-CD1 3.34Å; F236-I246 HydrophobicContact CD2-CG1 3.88Å; F236-I246 HydrophobicContact CE2-CB 4.45Å; F236-I246 HydrophobicContact CE2-CD1 3.44Å; F236-I246 VanDerWaalsContact CE2-CD1 3.44Å; F236-I246 HydrophobicContact CE2-CG1 3.53Å; F236-I246 HydrophobicContact CG-CD1 4.14Å; F236-I246 HydrophobicContact CZ-CD1 4.3Å; F236-I246 HydrophobicContact CZ-CG1 3.92Å; L239-I246 HydrophobicContact CB-CD1 3.74Å; L239-I246 HydrophobicContact CB-CG1 4.1Å; L239-I246 HydrophobicContact CD1-CD1 4.03Å; I246-K250 HydrophobicContact CG2-CB 4.03Å; I246-M251 HydrophobicContact CG2-CB 4.05Å; I246-E295 CarbonylContact O-C 3.56Å; I246-E295 WeakPolarHBondContact O-CA 3.5Å; I246-V296 PolarHBondContact N-O 3.34Å; I246-V296 PolarHBondContact O-N 2.84Å; I246-F301 HydrophobicContact CD1-CD2 4.3Å; I246-F301 HydrophobicContact CD1-CE2 4.46Å
247	H	95.9	Very high	94.3	Very high	79 Å²	79	58.9 Å²	58.9	37%	0.366	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	143.5	173.8	-168.9	-95.9	0	0	0	110.7	D249 K250 M251 D294	H247-D249 IonicContact CE1-OD2 3.91Å; H247-D249 PolarHBondContact CE1-OD2 3.32Å; H247-D249 PolarHBondContact ND1-N 3.11Å; H247-D249 IonicContact ND1-OD2 3.65Å; H247-D249 PolarHBondContact ND1-OD2 3.35Å; H247-D249 PolarHBondContact O-N 2.91Å; H247-D249 VanDerWaalsContact O-N 3.13Å; H247-K250 WeakPolarHBondContact O-CA 3.44Å; H247-K250 PolarHBondContact O-N 2.97Å; H247-M251 PolarHBondContact O-N 2.83Å; H247-D294 CarbonylContact C-O 3.48Å
248	A	94.7	Very high	94.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-50.3	-42.8	-176.7	0	0	0	0	0	112.8	K250 M251 I252 I277 D294	A248-K250 VanDerWaalsContact C-N 3.32Å; A248-K250 PolarHBondContact O-N 3.03Å; A248-M251 WeakPolarHBondContact O-CB 3.28Å; A248-M251 PolarHBondContact O-N 3.49Å; A248-M251 VanDerWaalsContact O-N 3.17Å; A248-I252 VanDerWaalsContact O-CG1 3.29Å; A248-I252 WeakPolarHBondContact O-CG1 3.5Å; A248-I252 PolarHBondContact O-N 3.01Å; A248-I277 HydrophobicContact CB-CB 4.49Å; A248-I277 HydrophobicContact CB-CG1 4.38Å; A248-I277 HydrophobicContact CB-CG2 3.95Å; A248-D294 HydrophobicContact CB-CB 4.1Å; A248-D294 WeakPolarHBondContact CB-O 3.25Å; A248-D294 PolarHBondContact N-O 3.09Å
249	D	95.5	Very high	94.2	Very high	79 Å²	79	51.5 Å²	51.5	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-37.2	178.5	-60.3	-29.4	0	0	0	112.7	H247 I252 E253	H247-D249 IonicContact CE1-OD2 3.91Å; H247-D249 PolarHBondContact CE1-OD2 3.32Å; H247-D249 PolarHBondContact ND1-N 3.11Å; H247-D249 IonicContact ND1-OD2 3.65Å; H247-D249 PolarHBondContact ND1-OD2 3.35Å; H247-D249 PolarHBondContact O-N 2.91Å; H247-D249 VanDerWaalsContact O-N 3.13Å; D249-I252 PolarHBondContact O-N 2.96Å; D249-E253 PolarHBondContact O-N 2.8Å
250	K	96.3	Very high	94	Very high	84 Å²	84	51.5 Å²	51.5	37%	0.365	27%	0.272	S	S	.	.	H	α-helix	trans	-73.5	-33.1	174.8	-80.4	-58.3	-173.1	-169.7	0	112.7	I246 H247 A248 I252 E253 F254	I246-K250 HydrophobicContact CG2-CB 4.03Å; H247-K250 WeakPolarHBondContact O-CA 3.44Å; H247-K250 PolarHBondContact O-N 2.97Å; A248-K250 VanDerWaalsContact C-N 3.32Å; A248-K250 PolarHBondContact O-N 3.03Å; K250-I252 VanDerWaalsContact C-N 3.34Å; K250-E253 WeakPolarHBondContact CD-OE2 3.48Å; K250-E253 IonicContact NZ-OE1 3.37Å; K250-E253 PolarHBondContact NZ-OE1 3.4Å; K250-E253 IonicContact NZ-OE2 3.17Å; K250-E253 PolarHBondContact NZ-OE2 2.99Å; K250-E253 PolarHBondContact O-N 2.95Å; K250-F254 WeakPolarHBondContact O-CB 3.09Å; K250-F254 PolarHBondContact O-N 3.02Å
251	M	95.5	Very high	93.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-39.1	170.4	-171.1	64.7	-179.7	0	0	111.2	I246 H247 A248 F254 L255 I277 I280 F301 Y304	I246-M251 HydrophobicContact CG2-CB 4.05Å; H247-M251 PolarHBondContact O-N 2.83Å; A248-M251 WeakPolarHBondContact O-CB 3.28Å; A248-M251 PolarHBondContact O-N 3.49Å; A248-M251 VanDerWaalsContact O-N 3.17Å; M251-F254 HydrophobicContact CE-CD1 4.27Å; M251-F254 PolarHBondContact O-N 2.93Å; M251-F254 HydrophobicContact SD-CD1 3.94Å; M251-L255 HydrophobicContact CE-CD1 4.49Å; M251-L255 HydrophobicContact CE-CD2 4.18Å; M251-L255 HydrophobicContact CE-CG 4.33Å; M251-L255 HydrophobicContact CG-CD1 4.38Å; M251-L255 WeakPolarHBondContact O-CB 3.38Å; M251-L255 VanDerWaalsContact O-CG 3.24Å; M251-L255 WeakPolarHBondContact O-CG 3.43Å; M251-L255 PolarHBondContact O-N 3.21Å; M251-I277 HydrophobicContact CB-CD1 3.79Å; M251-I277 HydrophobicContact CG-CD1 3.48Å; M251-I277 VanDerWaalsContact CG-CD1 3.48Å; M251-I280 HydrophobicContact CE-CD1 4.39Å; M251-F301 HydrophobicContact CE-CD2 4.01Å; M251-F301 HydrophobicContact CE-CE2 4.12Å; M251-F301 HydrophobicContact SD-CD2 4.08Å; M251-F301 HydrophobicContact SD-CE2 4.05Å; M251-Y304 HydrophobicContact CE-CD1 3.82Å; M251-Y304 HydrophobicContact CE-CE1 3.98Å; M251-Y304 HydrophobicContact CE-CG 4.49Å
252	I	95.7	Very high	93.6	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.138	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-45.9	175.2	-70.2	165.5	0	0	0	111	A248 D249 K250 L255 N256 A272 K274 I277	A248-I252 VanDerWaalsContact O-CG1 3.29Å; A248-I252 WeakPolarHBondContact O-CG1 3.5Å; A248-I252 PolarHBondContact O-N 3.01Å; D249-I252 PolarHBondContact O-N 2.96Å; K250-I252 VanDerWaalsContact C-N 3.34Å; I252-L255 PolarHBondContact O-N 3.31Å; I252-N256 WeakPolarHBondContact CG2-ND2 3.14Å; I252-N256 WeakPolarHBondContact O-CB 3.46Å; I252-N256 PolarHBondContact O-N 3.45Å; I252-N256 PolarHBondContact O-ND2 2.89Å; I252-A272 WeakPolarHBondContact CG2-O 3.41Å; I252-K274 HydrophobicContact CD1-CG 3.93Å; I252-I277 HydrophobicContact CD1-CG1 3.97Å; I252-I277 HydrophobicContact CG1-CD1 3.83Å; I252-I277 HydrophobicContact CG1-CG1 3.51Å
253	E	96.4	Very high	93.4	Very high	77 Å²	77	49.8 Å²	49.8	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-56.4	-50.6	174	-174.6	179.8	129.9	0	0	110.8	D249 K250 L255 N256 E257	D249-E253 PolarHBondContact O-N 2.8Å; K250-E253 WeakPolarHBondContact CD-OE2 3.48Å; K250-E253 IonicContact NZ-OE1 3.37Å; K250-E253 PolarHBondContact NZ-OE1 3.4Å; K250-E253 IonicContact NZ-OE2 3.17Å; K250-E253 PolarHBondContact NZ-OE2 2.99Å; K250-E253 PolarHBondContact O-N 2.95Å; E253-L255 PolarHBondContact O-N 3.31Å; E253-N256 PolarHBondContact O-N 3.46Å; E253-E257 HydrophobicContact CG-CG 4.32Å; E253-E257 VanDerWaalsContact O-CB 3.31Å; E253-E257 WeakPolarHBondContact O-CB 3.37Å; E253-E257 WeakPolarHBondContact O-CG 3.37Å; E253-E257 PolarHBondContact O-N 2.98Å
254	F	96.1	Very high	93.2	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.022	23%	0.231	C	C	.	.	I	π-helix	trans	-55.9	-46.6	175.9	170.4	-108.8	0	0	0	112.9	L239 K250 M251 T258 Q259 F301 Y832	L239-F254 HydrophobicContact CD1-CB 4.34Å; L239-F254 HydrophobicContact CD1-CD1 4.36Å; L239-F254 HydrophobicContact CD1-CD2 3.79Å; L239-F254 HydrophobicContact CD1-CE2 4.14Å; L239-F254 HydrophobicContact CD1-CG 3.9Å; L239-F254 HydrophobicContact CD2-CB 4.11Å; L239-F254 HydrophobicContact CD2-CD2 3.96Å; L239-F254 HydrophobicContact CD2-CG 4.28Å; K250-F254 WeakPolarHBondContact O-CB 3.09Å; K250-F254 PolarHBondContact O-N 3.02Å; M251-F254 HydrophobicContact CE-CD1 4.27Å; M251-F254 PolarHBondContact O-N 2.93Å; M251-F254 HydrophobicContact SD-CD1 3.94Å; F254-T258 HydrophobicContact CD2-CG2 4.22Å; F254-T258 HydrophobicContact CE2-CG2 3.94Å; F254-T258 WeakPolarHBondContact O-CA 3.25Å; F254-T258 VanDerWaalsContact O-CB 3.25Å; F254-T258 WeakPolarHBondContact O-CB 3.43Å; F254-T258 PolarHBondContact O-N 3.18Å; F254-Q259 HydrophobicContact CD1-CG 4.02Å; F254-Q259 HydrophobicContact CE1-CG 3.46Å; F254-Q259 VanDerWaalsContact CE1-CG 3.46Å; F254-Q259 HydrophobicContact CE2-CG 4.21Å; F254-Q259 VanDerWaalsContact CZ-CD 3.44Å; F254-Q259 HydrophobicContact CZ-CG 3.57Å; F254-Q259 PolarHBondContact O-N 3.48Å; F254-F301 HydrophobicContact CD1-CE2 4.24Å; F254-F301 AromaticContact CE1-CE2 3.78Å; F254-F301 HydrophobicContact CE1-CE2 3.78Å; F254-F301 HydrophobicContact CE1-CZ 4.12Å; F254-F301 HydrophobicContact CZ-CE2 4.29Å; F254-F301 HydrophobicContact CZ-CZ 4.16Å; F254-Y832 AromaticContact CE2-CD2 3.65Å; F254-Y832 HydrophobicContact CE2-CD2 3.65Å; F254-Y832 AromaticContact CE2-CE2 3.87Å; F254-Y832 HydrophobicContact CE2-CE2 3.87Å; F254-Y832 AromaticContact CZ-CD2 3.87Å; F254-Y832 HydrophobicContact CZ-CD2 3.87Å
255	L	95	Very high	93	Very high	12 Å²	12	45 Å²	45	6%	0.063	22%	0.223	C	C	.	.	I	π-helix	trans	-64.5	-41.5	-179.9	-70.7	175.1	0	0	0	112.3	M251 I252 E253 Q259 R260 A272 T276 I277 I280 Y304	M251-L255 HydrophobicContact CE-CD1 4.49Å; M251-L255 HydrophobicContact CE-CD2 4.18Å; M251-L255 HydrophobicContact CE-CG 4.33Å; M251-L255 HydrophobicContact CG-CD1 4.38Å; M251-L255 WeakPolarHBondContact O-CB 3.38Å; M251-L255 VanDerWaalsContact O-CG 3.24Å; M251-L255 WeakPolarHBondContact O-CG 3.43Å; M251-L255 PolarHBondContact O-N 3.21Å; I252-L255 PolarHBondContact O-N 3.31Å; E253-L255 PolarHBondContact O-N 3.31Å; L255-Q259 HydrophobicContact CD2-CB 4.35Å; L255-Q259 HydrophobicContact CD2-CG 4.09Å; L255-R260 PolarHBondContact O-N 3.19Å; L255-R260 VanDerWaalsContact O-N 3.1Å; L255-A272 HydrophobicContact CB-CB 3.78Å; L255-A272 HydrophobicContact CD1-CB 3.89Å; L255-T276 HydrophobicContact CD1-CG2 4.26Å; L255-I277 HydrophobicContact CD1-CD1 3.76Å; L255-I280 HydrophobicContact CD1-CD1 3.82Å; L255-Y304 HydrophobicContact CD2-CE1 3.85Å; L255-Y304 WeakPolarHBondContact CD2-OH 3.26Å
256	N	94.5	Very high	92.6	Very high	35 Å²	35	49.2 Å²	49.2	19%	0.187	24%	0.242	C	C	.	.	I	π-helix	trans	-83.1	-34	-174.7	-72.8	-32.3	0	0	0	113.8	I252 E253 R260 F271 A272	I252-N256 WeakPolarHBondContact CG2-ND2 3.14Å; I252-N256 WeakPolarHBondContact O-CB 3.46Å; I252-N256 PolarHBondContact O-N 3.45Å; I252-N256 PolarHBondContact O-ND2 2.89Å; E253-N256 PolarHBondContact O-N 3.46Å; N256-R260 WeakPolarHBondContact O-CB 3.39Å; N256-F271 HydrophobicContact CB-CD1 4.07Å; N256-F271 WeakPolarHBondContact OD1-CA 3.5Å; N256-A272 PolarHBondContact ND2-O 3.13Å; N256-A272 WeakPolarHBondContact OD1-CB 3.48Å; N256-A272 PolarHBondContact OD1-N 2.99Å
257	E	93	Very high	92.1	Very high	148 Å²	148	55.7 Å²	55.7	69%	0.692	28%	0.275	S	S	*	.	I	π-helix	trans	-96.6	-32.2	-175.6	-61.1	-174.1	178.2	0	0	112.6	E253	E253-E257 HydrophobicContact CG-CG 4.32Å; E253-E257 VanDerWaalsContact O-CB 3.31Å; E253-E257 WeakPolarHBondContact O-CB 3.37Å; E253-E257 WeakPolarHBondContact O-CG 3.37Å; E253-E257 PolarHBondContact O-N 2.98Å
258	T	94.4	Very high	91.4	Very high	44 Å²	44	56.2 Å²	56.2	27%	0.27	28%	0.28	S	S	.	.	I	π-helix	trans	-108.1	-44.9	-175.4	-50.6	0	0	0	0	113.3	F254 G831 Y832	F254-T258 HydrophobicContact CD2-CG2 4.22Å; F254-T258 HydrophobicContact CE2-CG2 3.94Å; F254-T258 WeakPolarHBondContact O-CA 3.25Å; F254-T258 VanDerWaalsContact O-CB 3.25Å; F254-T258 WeakPolarHBondContact O-CB 3.43Å; F254-T258 PolarHBondContact O-N 3.18Å; T258-G831 WeakPolarHBondContact O-CA 3.48Å; T258-G831 PolarHBondContact O-N 3.06Å; T258-Y832 HydrophobicContact CG2-CD2 4.01Å; T258-Y832 HydrophobicContact CG2-CE2 3.72Å
259	Q	94.3	Very high	90.8	Very high	7 Å²	7	57.5 Å²	57.5	3%	0.033	29%	0.286	C	S	.	.	I	π-helix	trans	-83.9	-20.1	-176.6	-59.9	-64.6	93.8	0	0	114.1	F254 L255 N310 A830 Y832 R833	F254-Q259 HydrophobicContact CD1-CG 4.02Å; F254-Q259 HydrophobicContact CE1-CG 3.46Å; F254-Q259 VanDerWaalsContact CE1-CG 3.46Å; F254-Q259 HydrophobicContact CE2-CG 4.21Å; F254-Q259 VanDerWaalsContact CZ-CD 3.44Å; F254-Q259 HydrophobicContact CZ-CG 3.57Å; F254-Q259 PolarHBondContact O-N 3.48Å; L255-Q259 HydrophobicContact CD2-CB 4.35Å; L255-Q259 HydrophobicContact CD2-CG 4.09Å; Q259-N310 PolarHBondContact NE2-OD1 3.04Å; Q259-A830 CarbonylContact O-C 3.59Å; Q259-Y832 PolarHBondContact NE2-O 3.41Å; Q259-Y832 VanDerWaalsContact NE2-O 3.15Å; Q259-R833 PolarHBondContact O-NH2 3.04Å
260	R	90.7	Very high	90.4	Very high	34 Å²	34	55.8 Å²	55.8	13%	0.128	28%	0.279	C	S	.	.	S	Bend	trans	-84.6	137	-177.2	-168.7	-177.1	-175.2	-77.2	-0.2	110.9	L255 N256 P262 L264 Y269	L255-R260 PolarHBondContact O-N 3.19Å; L255-R260 VanDerWaalsContact O-N 3.1Å; N256-R260 WeakPolarHBondContact O-CB 3.39Å; R260-P262 WeakPolarHBondContact O-CD 3.39Å; R260-L264 PolarHBondContact NH1-O 2.82Å; R260-L264 VanDerWaalsContact NH1-O 3.15Å; R260-L264 PolarHBondContact NH2-O 3.28Å; R260-Y269 PolarHBondContact NH2-O 2.86Å
261	D	89	Confident	90.1	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.037	28%	0.281	C	S	.	.			trans	-75.3	115.7	165.3	178.8	-8.1	0	0	0	109.3	R263 L264 A830	D261-R263 PolarHBondContact O-N 3.19Å; D261-R263 WeakPolarHBondContact OD1-CB 3.49Å; D261-R263 VanDerWaalsContact OD1-CG 3.24Å; D261-R263 WeakPolarHBondContact OD1-CG 3.33Å; D261-R263 IonicContact OD1-CZ 2.67Å; D261-R263 PolarHBondContact OD1-N 3.05Å; D261-R263 IonicContact OD1-NE 3.83Å; D261-R263 PolarHBondContact OD1-NE 3.12Å; D261-R263 IonicContact OD2-CZ 2.78Å; D261-R263 VanDerWaalsContact OD2-CZ 3.27Å; D261-R263 IonicContact OD2-NE 3.77Å; D261-R263 PolarHBondContact OD2-NE 3.44Å; D261-R263 IonicContact OD2-NH2 2.91Å; D261-R263 PolarHBondContact OD2-NH2 2.93Å; D261-L264 HydrophobicContact CB-CD1 3.84Å; D261-L264 HydrophobicContact CB-CG 3.91Å; D261-L264 WeakPolarHBondContact O-CB 3.34Å; D261-L264 PolarHBondContact O-N 3.41Å; D261-L264 VanDerWaalsContact O-N 3.14Å; D261-A830 HydrophobicContact CB-CB 4.17Å
262	P	87.3	Confident	89.9	Confident	80 Å²	80	57 Å²	57	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19	-178.5	27.3	-35.7	0	0	0	113.2	R260 L264 L856 T857	R260-P262 WeakPolarHBondContact O-CD 3.39Å; P262-L264 PolarHBondContact O-N 3.2Å; P262-L856 WeakPolarHBondContact CD-O 3.26Å; P262-L856 WeakPolarHBondContact CG-O 3.49Å; P262-T857 HydrophobicContact CG-CG2 4.25Å
263	R	84.8	Confident	89.7	Confident	75 Å²	75	58.6 Å²	58.6	28%	0.283	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.4	177.6	-54.4	174	-60.1	163.6	7.3	112.6	D261	D261-R263 PolarHBondContact O-N 3.19Å; D261-R263 WeakPolarHBondContact OD1-CB 3.49Å; D261-R263 VanDerWaalsContact OD1-CG 3.24Å; D261-R263 WeakPolarHBondContact OD1-CG 3.33Å; D261-R263 IonicContact OD1-CZ 2.67Å; D261-R263 PolarHBondContact OD1-N 3.05Å; D261-R263 IonicContact OD1-NE 3.83Å; D261-R263 PolarHBondContact OD1-NE 3.12Å; D261-R263 IonicContact OD2-CZ 2.78Å; D261-R263 VanDerWaalsContact OD2-CZ 3.27Å; D261-R263 IonicContact OD2-NE 3.77Å; D261-R263 PolarHBondContact OD2-NE 3.44Å; D261-R263 IonicContact OD2-NH2 2.91Å; D261-R263 PolarHBondContact OD2-NH2 2.93Å
264	L	86.8	Confident	89.5	Confident	37 Å²	37	60 Å²	60	19%	0.194	30%	0.301	C	S	.	.	S	Bend	trans	-74	138	-179.1	-63.2	172.1	0	0	0	111.4	R260 D261 P262 E266 Y269 F314	R260-L264 PolarHBondContact NH1-O 2.82Å; R260-L264 VanDerWaalsContact NH1-O 3.15Å; R260-L264 PolarHBondContact NH2-O 3.28Å; D261-L264 HydrophobicContact CB-CD1 3.84Å; D261-L264 HydrophobicContact CB-CG 3.91Å; D261-L264 WeakPolarHBondContact O-CB 3.34Å; D261-L264 PolarHBondContact O-N 3.41Å; D261-L264 VanDerWaalsContact O-N 3.14Å; P262-L264 PolarHBondContact O-N 3.2Å; L264-E266 PolarHBondContact O-N 3.02Å; L264-Y269 HydrophobicContact CB-CD2 4.02Å; L264-Y269 HydrophobicContact CB-CG 4.19Å; L264-Y269 HydrophobicContact CD1-CD1 4.41Å; L264-Y269 HydrophobicContact CD1-CG 4.31Å; L264-Y269 HydrophobicContact CD2-CD2 4.13Å; L264-Y269 HydrophobicContact CD2-CE2 4.05Å; L264-Y269 HydrophobicContact CD2-CG 4.5Å; L264-F314 HydrophobicContact CD1-CZ 3.78Å; L264-F314 HydrophobicContact CD2-CE2 4.25Å; L264-F314 HydrophobicContact CD2-CZ 4.16Å
265	N	87.4	Confident	89.2	Confident	81 Å²	81	64.4 Å²	64.4	43%	0.433	32%	0.322	S	S	.	.			trans	-66.4	128.7	176.9	-176.3	-81.3	0	0	0	111.3	I267 L268 Y269	N265-I267 VanDerWaalsContact C-N 3.29Å; N265-I267 PolarHBondContact O-N 3.38Å; N265-I267 WeakPolarHBondContact OD1-CA 3.27Å; N265-I267 WeakPolarHBondContact OD1-CB 3.37Å; N265-I267 PolarHBondContact OD1-N 3.43Å; N265-L268 HydrophobicContact CB-CB 4.3Å; N265-L268 HydrophobicContact CB-CD1 4.27Å; N265-L268 HydrophobicContact CB-CG 4.35Å; N265-L268 PolarHBondContact O-N 3.25Å; N265-L268 PolarHBondContact OD1-N 2.88Å; N265-Y269 WeakPolarHBondContact O-CA 3.29Å; N265-Y269 WeakPolarHBondContact O-CB 3.41Å; N265-Y269 PolarHBondContact O-N 2.84Å
266	E	86.4	Confident	89	Confident	121 Å²	121	65.4 Å²	65.4	57%	0.565	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.2	-177.2	63	-169.4	-162.2	0	0	115.4	L264 P270 F271	L264-E266 PolarHBondContact O-N 3.02Å; E266-P270 WeakPolarHBondContact O-CA 3.46Å; E266-P270 VanDerWaalsContact O-CB 3.32Å; E266-P270 WeakPolarHBondContact O-CB 3.35Å; E266-F271 HydrophobicContact CB-CD2 4.46Å; E266-F271 HydrophobicContact CB-CE2 3.74Å; E266-F271 HydrophobicContact CB-CZ 4.27Å
267	I	84.1	Confident	88.9	Confident	136 Å²	136	63.9 Å²	63.9	70%	0.697	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-41.4	176	-57.7	174.9	0	0	0	109.9	N265 P270	N265-I267 VanDerWaalsContact C-N 3.29Å; N265-I267 PolarHBondContact O-N 3.38Å; N265-I267 WeakPolarHBondContact OD1-CA 3.27Å; N265-I267 WeakPolarHBondContact OD1-CB 3.37Å; N265-I267 PolarHBondContact OD1-N 3.43Å; I267-P270 WeakPolarHBondContact O-CG 3.25Å
268	L	80.9	Confident	88.9	Confident	90 Å²	90	61.1 Å²	61.1	47%	0.471	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-34.8	178	-62.1	178.3	0	0	0	112.2	N265	N265-L268 HydrophobicContact CB-CB 4.3Å; N265-L268 HydrophobicContact CB-CD1 4.27Å; N265-L268 HydrophobicContact CB-CG 4.35Å; N265-L268 PolarHBondContact O-N 3.25Å; N265-L268 PolarHBondContact OD1-N 2.88Å
269	Y	83.5	Confident	88.7	Confident	28 Å²	28	63.5 Å²	63.5	11%	0.11	31%	0.311	C	S	.	.	S	Bend	trans	-126.4	76.5	177.9	-57.2	-92.4	0	0	0	109.8	Q9 T11 R260 L264 N265 F314	Q9-Y269 PolarHBondContact OE1-OH 3.31Å; T11-Y269 WeakPolarHBondContact OG1-CD1 3.5Å; R260-Y269 PolarHBondContact NH2-O 2.86Å; L264-Y269 HydrophobicContact CB-CD2 4.02Å; L264-Y269 HydrophobicContact CB-CG 4.19Å; L264-Y269 HydrophobicContact CD1-CD1 4.41Å; L264-Y269 HydrophobicContact CD1-CG 4.31Å; L264-Y269 HydrophobicContact CD2-CD2 4.13Å; L264-Y269 HydrophobicContact CD2-CE2 4.05Å; L264-Y269 HydrophobicContact CD2-CG 4.5Å; N265-Y269 WeakPolarHBondContact O-CA 3.29Å; N265-Y269 WeakPolarHBondContact O-CB 3.41Å; N265-Y269 PolarHBondContact O-N 2.84Å; Y269-F314 HydrophobicContact CE1-CE1 4.18Å; Y269-F314 HydrophobicContact CE1-CZ 4.1Å
270	P	86.4	Confident	88.6	Confident	43 Å²	43	63.4 Å²	63.4	28%	0.279	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-70.7	158.6	-175.8	-7.2	18.9	0	0	0	113.6	T11 V12 E266 I267	T11-P270 WeakPolarHBondContact O-CD 3.33Å; V12-P270 HydrophobicContact CB-CB 4.01Å; V12-P270 HydrophobicContact CB-CG 3.58Å; V12-P270 HydrophobicContact CG1-CB 4.36Å; V12-P270 HydrophobicContact CG1-CG 4.07Å; V12-P270 HydrophobicContact CG2-CB 3.31Å; V12-P270 HydrophobicContact CG2-CG 3.45Å; V12-P270 VanDerWaalsContact CG2-CG 3.45Å; V12-P270 WeakPolarHBondContact CG2-O 3.48Å; E266-P270 WeakPolarHBondContact O-CA 3.46Å; E266-P270 VanDerWaalsContact O-CB 3.32Å; E266-P270 WeakPolarHBondContact O-CB 3.35Å; I267-P270 WeakPolarHBondContact O-CG 3.25Å
271	F	90.4	Very high	88.7	Confident	92 Å²	92	62.5 Å²	62.5	40%	0.404	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-63.1	146.1	-174.6	-66.3	-77.9	0	0	0	112.5	N256 E266	N256-F271 HydrophobicContact CB-CD1 4.07Å; N256-F271 WeakPolarHBondContact OD1-CA 3.5Å; E266-F271 HydrophobicContact CB-CD2 4.46Å; E266-F271 HydrophobicContact CB-CE2 3.74Å; E266-F271 HydrophobicContact CB-CZ 4.27Å
272	A	91.3	Very high	88.8	Confident	17 Å²	17	67.8 Å²	67.8	14%	0.14	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-57.7	141.5	168.4	0	0	0	0	0	109.8	I252 L255 N256 T276	I252-A272 WeakPolarHBondContact CG2-O 3.41Å; L255-A272 HydrophobicContact CB-CB 3.78Å; L255-A272 HydrophobicContact CD1-CB 3.89Å; N256-A272 PolarHBondContact ND2-O 3.13Å; N256-A272 WeakPolarHBondContact OD1-CB 3.48Å; N256-A272 PolarHBondContact OD1-N 2.99Å; A272-T276 HydrophobicContact CB-CG2 4.03Å
273	N	91.8	Very high	89	Confident	62 Å²	62	68.1 Å²	68.1	33%	0.332	33%	0.329	S	S	.	.			trans	-141.2	-175.3	-178.7	61	44.8	0	0	0	110	Q275 T276 I277	N273-Q275 PolarHBondContact O-N 3.46Å; N273-Q275 WeakPolarHBondContact OD1-CA 3.39Å; N273-Q275 WeakPolarHBondContact OD1-CB 3.35Å; N273-Q275 PolarHBondContact OD1-N 3.24Å; N273-T276 PolarHBondContact N-OG1 3.22Å; N273-T276 VanDerWaalsContact N-OG1 3.15Å; N273-T276 WeakPolarHBondContact O-CA 3.43Å; N273-T276 WeakPolarHBondContact O-CB 3.4Å; N273-T276 PolarHBondContact O-N 3.27Å; N273-T276 PolarHBondContact OD1-N 3.41Å; N273-I277 PolarHBondContact O-N 2.86Å
274	K	91.8	Very high	89.5	Confident	107 Å²	107	66.3 Å²	66.3	47%	0.465	32%	0.323	S	S	.	.	H	α-helix	trans	-57.8	-31.7	180	-69.8	-159.8	171.6	-154.6	0	113.7	I252 T276 I277 K278 D294	I252-K274 HydrophobicContact CD1-CG 3.93Å; K274-T276 VanDerWaalsContact C-N 3.32Å; K274-I277 PolarHBondContact O-N 2.89Å; K274-K278 PolarHBondContact O-N 3Å; K274-D294 IonicContact NZ-OD2 3.25Å; K274-D294 PolarHBondContact NZ-OD2 3.36Å
275	Q	90.1	Very high	89.9	Confident	97 Å²	97	65 Å²	65	45%	0.453	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-34	175.6	-168.2	62.5	36.4	0	0	111.6	P13 N273 K278 Y279	P13-Q275 HydrophobicContact CB-CG 4.29Å; P13-Q275 HydrophobicContact CG-CB 4.27Å; P13-Q275 HydrophobicContact CG-CG 3.98Å; N273-Q275 PolarHBondContact O-N 3.46Å; N273-Q275 WeakPolarHBondContact OD1-CA 3.39Å; N273-Q275 WeakPolarHBondContact OD1-CB 3.35Å; N273-Q275 PolarHBondContact OD1-N 3.24Å; Q275-K278 PolarHBondContact O-N 2.64Å; Q275-Y279 WeakPolarHBondContact O-CB 3.2Å; Q275-Y279 PolarHBondContact O-N 2.96Å
276	T	90.5	Very high	90.1	Very high	33 Å²	33	64.2 Å²	64.2	20%	0.202	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-45.5	171.5	-49	0	0	0	0	111.1	L255 A272 N273 K274 K278 Y279 I280	L255-T276 HydrophobicContact CD1-CG2 4.26Å; A272-T276 HydrophobicContact CB-CG2 4.03Å; N273-T276 PolarHBondContact N-OG1 3.22Å; N273-T276 VanDerWaalsContact N-OG1 3.15Å; N273-T276 WeakPolarHBondContact O-CA 3.43Å; N273-T276 WeakPolarHBondContact O-CB 3.4Å; N273-T276 PolarHBondContact O-N 3.27Å; N273-T276 PolarHBondContact OD1-N 3.41Å; K274-T276 VanDerWaalsContact C-N 3.32Å; T276-K278 PolarHBondContact O-N 3.11Å; T276-Y279 PolarHBondContact O-N 3.19Å; T276-I280 HydrophobicContact CG2-CD1 4.3Å; T276-I280 WeakPolarHBondContact O-CG1 3.47Å; T276-I280 PolarHBondContact O-N 3.14Å
277	I	92.3	Very high	90.3	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-43.7	178.1	-56.7	-49.2	0	0	0	111.1	A248 M251 I252 L255 N273 K274 Y279 I280 Q281 V296	A248-I277 HydrophobicContact CB-CB 4.49Å; A248-I277 HydrophobicContact CB-CG1 4.38Å; A248-I277 HydrophobicContact CB-CG2 3.95Å; M251-I277 HydrophobicContact CB-CD1 3.79Å; M251-I277 HydrophobicContact CG-CD1 3.48Å; M251-I277 VanDerWaalsContact CG-CD1 3.48Å; I252-I277 HydrophobicContact CD1-CG1 3.97Å; I252-I277 HydrophobicContact CG1-CD1 3.83Å; I252-I277 HydrophobicContact CG1-CG1 3.51Å; L255-I277 HydrophobicContact CD1-CD1 3.76Å; N273-I277 PolarHBondContact O-N 2.86Å; K274-I277 PolarHBondContact O-N 2.89Å; I277-Y279 VanDerWaalsContact C-N 3.31Å; I277-Y279 PolarHBondContact O-N 3.02Å; I277-I280 HydrophobicContact CD1-CD1 4.49Å; I277-I280 WeakPolarHBondContact O-CB 3.49Å; I277-I280 PolarHBondContact O-N 3.43Å; I277-I280 VanDerWaalsContact O-N 3.13Å; I277-Q281 HydrophobicContact CG2-CG 4.49Å; I277-Q281 PolarHBondContact O-N 2.99Å; I277-V296 HydrophobicContact CG2-CG2 3.93Å
278	K	92.1	Very high	90.6	Very high	90 Å²	90	62.3 Å²	62.3	39%	0.391	30%	0.302	S	S	.	.	H	α-helix	trans	-58.4	-44.2	176.1	-170.7	176.9	-179.7	-177.6	0	111.9	K274 Q275 T276 I280 Q281 E282	K274-K278 PolarHBondContact O-N 3Å; Q275-K278 PolarHBondContact O-N 2.64Å; T276-K278 PolarHBondContact O-N 3.11Å; K278-I280 PolarHBondContact O-N 3.25Å; K278-Q281 PolarHBondContact O-N 3.31Å; K278-E282 WeakPolarHBondContact CE-OE1 3.47Å; K278-E282 HydrophobicContact CG-CG 4.47Å; K278-E282 WeakPolarHBondContact O-CB 3.39Å; K278-E282 VanDerWaalsContact O-CG 3.27Å; K278-E282 WeakPolarHBondContact O-CG 3.4Å; K278-E282 PolarHBondContact O-N 3.14Å
279	Y	91.1	Very high	91.2	Very high	94 Å²	94	64.5 Å²	64.5	37%	0.369	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-41.9	175	170	-88.9	0	0	0	112.1	Q275 T276 I277 E282 N283 D309	Q275-Y279 WeakPolarHBondContact O-CB 3.2Å; Q275-Y279 PolarHBondContact O-N 2.96Å; T276-Y279 PolarHBondContact O-N 3.19Å; I277-Y279 VanDerWaalsContact C-N 3.31Å; I277-Y279 PolarHBondContact O-N 3.02Å; Y279-E282 PolarHBondContact O-N 3.49Å; Y279-N283 VanDerWaalsContact CD2-ND2 3.34Å; Y279-N283 WeakPolarHBondContact CD2-ND2 3.47Å; Y279-N283 WeakPolarHBondContact CE2-ND2 3.48Å; Y279-N283 VanDerWaalsContact CZ-ND2 3.29Å; Y279-N283 PolarHBondContact O-N 3.1Å; Y279-N283 VanDerWaalsContact O-N 3.15Å; Y279-N283 PolarHBondContact O-ND2 2.98Å; Y279-D309 VanDerWaalsContact CE1-OD2 3.23Å; Y279-D309 WeakPolarHBondContact CE1-OD2 3.5Å; Y279-D309 PolarHBondContact OH-OD2 3.44Å
280	I	91.9	Very high	91.6	Very high	5 Å²	5	64 Å²	64	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-46.8	175.5	-71.2	170.8	0	0	0	110.2	M251 L255 T276 I277 K278 N283 Y284 Y304	M251-I280 HydrophobicContact CE-CD1 4.39Å; L255-I280 HydrophobicContact CD1-CD1 3.82Å; T276-I280 HydrophobicContact CG2-CD1 4.3Å; T276-I280 WeakPolarHBondContact O-CG1 3.47Å; T276-I280 PolarHBondContact O-N 3.14Å; I277-I280 HydrophobicContact CD1-CD1 4.49Å; I277-I280 WeakPolarHBondContact O-CB 3.49Å; I277-I280 PolarHBondContact O-N 3.43Å; I277-I280 VanDerWaalsContact O-N 3.13Å; K278-I280 PolarHBondContact O-N 3.25Å; I280-N283 PolarHBondContact O-N 3.14Å; I280-Y284 HydrophobicContact CB-CD2 4.42Å; I280-Y284 HydrophobicContact CG2-CD2 3.99Å; I280-Y284 WeakPolarHBondContact O-CB 3.38Å; I280-Y284 VanDerWaalsContact O-CD2 3.26Å; I280-Y284 WeakPolarHBondContact O-CD2 3.38Å; I280-Y284 PolarHBondContact O-N 2.97Å; I280-Y304 HydrophobicContact CD1-CD2 4.03Å; I280-Y304 HydrophobicContact CD1-CE2 3.87Å; I280-Y304 HydrophobicContact CG1-CD2 4.05Å; I280-Y304 HydrophobicContact CG1-CE2 4.19Å; I280-Y304 HydrophobicContact CG2-CD2 4.23Å; I280-Y304 HydrophobicContact CG2-CG 4.33Å
281	Q	92.6	Very high	91.6	Very high	14 Å²	14	65.6 Å²	65.6	7%	0.065	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-45.2	177.2	-72.2	173	-44.2	0	0	112	I277 K278 N283 Y284 E285 T293 E295 V296	I277-Q281 HydrophobicContact CG2-CG 4.49Å; I277-Q281 PolarHBondContact O-N 2.99Å; K278-Q281 PolarHBondContact O-N 3.31Å; Q281-N283 PolarHBondContact O-N 3.3Å; Q281-Y284 PolarHBondContact O-N 2.86Å; Q281-E285 HydrophobicContact CB-CB 4.23Å; Q281-E285 WeakPolarHBondContact O-CB 3.18Å; Q281-E285 PolarHBondContact O-N 2.91Å; Q281-T293 PolarHBondContact NE2-O 3.3Å; Q281-T293 PolarHBondContact OE1-O 3.44Å; Q281-E295 PolarHBondContact NE2-O 3.3Å; Q281-V296 HydrophobicContact CG-CG2 4.33Å
282	E	92	Very high	91.4	Very high	119 Å²	119	68 Å²	68	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-57.8	-34.1	178.9	-77.2	171.4	-179.5	0	0	112.7	K278 Y279	K278-E282 WeakPolarHBondContact CE-OE1 3.47Å; K278-E282 HydrophobicContact CG-CG 4.47Å; K278-E282 WeakPolarHBondContact O-CB 3.39Å; K278-E282 VanDerWaalsContact O-CG 3.27Å; K278-E282 WeakPolarHBondContact O-CG 3.4Å; K278-E282 PolarHBondContact O-N 3.14Å; Y279-E282 PolarHBondContact O-N 3.49Å
283	N	91.3	Very high	91.4	Very high	87 Å²	87	69.6 Å²	69.6	47%	0.465	34%	0.336	S	S	.	.	H	α-helix	trans	-95.2	-26.4	-177.5	-70.8	-72.9	0	0	0	114.4	Y279 I280 Q281	Y279-N283 VanDerWaalsContact CD2-ND2 3.34Å; Y279-N283 WeakPolarHBondContact CD2-ND2 3.47Å; Y279-N283 WeakPolarHBondContact CE2-ND2 3.48Å; Y279-N283 VanDerWaalsContact CZ-ND2 3.29Å; Y279-N283 PolarHBondContact O-N 3.1Å; Y279-N283 VanDerWaalsContact O-N 3.15Å; Y279-N283 PolarHBondContact O-ND2 2.98Å; I280-N283 PolarHBondContact O-N 3.14Å; Q281-N283 PolarHBondContact O-N 3.3Å
284	Y	94.3	Very high	91.4	Very high	36 Å²	36	70.2 Å²	70.2	14%	0.141	34%	0.339	C	S	.	.	H	α-helix	trans	-127.4	-16.2	-167	-54.9	-57.1	0	0	0	115.1	I280 Q281 T286 R303 Y304 S307 D309	I280-Y284 HydrophobicContact CB-CD2 4.42Å; I280-Y284 HydrophobicContact CG2-CD2 3.99Å; I280-Y284 WeakPolarHBondContact O-CB 3.38Å; I280-Y284 VanDerWaalsContact O-CD2 3.26Å; I280-Y284 WeakPolarHBondContact O-CD2 3.38Å; I280-Y284 PolarHBondContact O-N 2.97Å; Q281-Y284 PolarHBondContact O-N 2.86Å; Y284-T286 PolarHBondContact O-N 2.87Å; Y284-R303 HydrophobicContact CD1-CB 4.12Å; Y284-R303 HydrophobicContact CG-CB 4.32Å; Y284-R303 WeakPolarHBondContact O-CD 3.47Å; Y284-Y304 HydrophobicContact CD2-CD2 4.25Å; Y284-Y304 HydrophobicContact CE2-CD2 4.01Å; Y284-S307 VanDerWaalsContact CE1-CB 3.5Å; Y284-S307 VanDerWaalsContact CZ-CB 3.48Å; Y284-S307 VanDerWaalsContact CZ-OG 3.3Å; Y284-S307 WeakPolarHBondContact OH-CB 3.4Å; Y284-S307 PolarHBondContact OH-OG 2.86Å; Y284-D309 PolarHBondContact OH-OD2 3.08Å
285	E	94.7	Very high	91.5	Very high	10 Å²	10	68 Å²	68	5%	0.047	33%	0.331	C	S	.	.			trans	-79.6	117.4	177.3	-174.3	55.3	-90.6	0	0	111.1	Q281 Q287 F290 K291 S297 C300	Q281-E285 HydrophobicContact CB-CB 4.23Å; Q281-E285 WeakPolarHBondContact O-CB 3.18Å; Q281-E285 PolarHBondContact O-N 2.91Å; E285-Q287 WeakPolarHBondContact OE1-CB 3.48Å; E285-Q287 PolarHBondContact OE1-N 3.04Å; E285-F290 HydrophobicContact CG-CB 4.05Å; E285-K291 HydrophobicContact CB-CG 4.46Å; E285-K291 HydrophobicContact CG-CG 4Å; E285-K291 WeakPolarHBondContact O-CE 3.36Å; E285-S297 PolarHBondContact OE1-OG 3.4Å; E285-S297 WeakPolarHBondContact OE2-CB 3.38Å; E285-S297 PolarHBondContact OE2-N 3.06Å; E285-S297 VanDerWaalsContact OE2-N 3.12Å; E285-S297 PolarHBondContact OE2-OG 3.39Å; E285-C300 HydrophobicContact CB-CB 4.13Å; E285-C300 VanDerWaalsContact OE2-CB 3.23Å; E285-C300 WeakPolarHBondContact OE2-CB 3.49Å
286	T	91.7	Very high	91.8	Very high	64 Å²	64	63.4 Å²	63.4	39%	0.393	31%	0.309	S	S	.	.			trans	-97.4	-24.2	178.6	57.3	0	0	0	0	112.2	Y284 E288 E299	Y284-T286 PolarHBondContact O-N 2.87Å; T286-E288 PolarHBondContact O-N 3.29Å; T286-E299 VanDerWaalsContact OG1-CG 3.31Å; T286-E299 WeakPolarHBondContact OG1-CG 3.46Å
287	Q	91.7	Very high	92.1	Very high	69 Å²	69	61.9 Å²	61.9	32%	0.322	30%	0.3	S	S	.	.			trans	-84.4	113.3	-177	-60.9	-176.7	12.4	0	0	109.9	E285 E289 F290 K291	E285-Q287 WeakPolarHBondContact OE1-CB 3.48Å; E285-Q287 PolarHBondContact OE1-N 3.04Å; Q287-E289 HydrophobicContact CB-CG 4.35Å; Q287-E289 PolarHBondContact O-N 3.06Å; Q287-E289 VanDerWaalsContact O-N 3.11Å; Q287-E289 PolarHBondContact OE1-OE1 3.1Å; Q287-F290 HydrophobicContact CB-CD2 3.98Å; Q287-F290 PolarHBondContact O-N 3.49Å; Q287-F290 VanDerWaalsContact O-N 3.12Å; Q287-F290 VanDerWaalsContact OE1-CE2 3.31Å; Q287-K291 PolarHBondContact O-N 3.29Å
288	E	90.4	Very high	92.2	Very high	149 Å²	149	64.2 Å²	64.2	70%	0.696	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-52.1	-33.9	-179	-74.7	-88.5	126.8	0	0	113.3	T286 F290 K291	T286-E288 PolarHBondContact O-N 3.29Å; E288-F290 PolarHBondContact O-N 3.01Å; E288-K291 PolarHBondContact O-N 3.45Å; E288-K291 IonicContact OE1-NZ 3.79Å; E288-K291 PolarHBondContact OE1-NZ 3Å
289	E	92.5	Very high	92.3	Very high	136 Å²	136	61.2 Å²	61.2	64%	0.636	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-64.3	-26.2	-177.5	68.9	-175.7	171.3	0	0	114	Q287	Q287-E289 HydrophobicContact CB-CG 4.35Å; Q287-E289 PolarHBondContact O-N 3.06Å; Q287-E289 VanDerWaalsContact O-N 3.11Å; Q287-E289 PolarHBondContact OE1-OE1 3.1Å
290	F	91.6	Very high	92.5	Very high	17 Å²	17	56.8 Å²	56.8	8%	0.075	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-101.1	-7.5	179	-63.7	-69	0	0	0	112.9	H245 E285 Q287 E288 N292 T293 E295	H245-F290 HydrophobicContact CB-CD1 4.39Å; H245-F290 HydrophobicContact CB-CE1 3.76Å; H245-F290 HydrophobicContact CB-CZ 4.3Å; E285-F290 HydrophobicContact CG-CB 4.05Å; Q287-F290 HydrophobicContact CB-CD2 3.98Å; Q287-F290 PolarHBondContact O-N 3.49Å; Q287-F290 VanDerWaalsContact O-N 3.12Å; Q287-F290 VanDerWaalsContact OE1-CE2 3.31Å; E288-F290 PolarHBondContact O-N 3.01Å; F290-N292 PolarHBondContact O-N 3.37Å; F290-T293 PolarHBondContact O-N 3.18Å; F290-T293 PolarHBondContact O-OG1 3.25Å; F290-E295 HydrophobicContact CD1-CB 3.83Å; F290-E295 HydrophobicContact CE1-CB 4.31Å; F290-E295 WeakPolarHBondContact CE1-OE2 3.31Å
291	K	88	Confident	92.7	Very high	76 Å²	76	56.6 Å²	56.6	33%	0.33	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	134.9	177.1	-69.7	-175.7	-171.7	167.7	0	110.3	E285 Q287 E288 T293	E285-K291 HydrophobicContact CB-CG 4.46Å; E285-K291 HydrophobicContact CG-CG 4Å; E285-K291 WeakPolarHBondContact O-CE 3.36Å; Q287-K291 PolarHBondContact O-N 3.29Å; E288-K291 PolarHBondContact O-N 3.45Å; E288-K291 IonicContact OE1-NZ 3.79Å; E288-K291 PolarHBondContact OE1-NZ 3Å; K291-T293 PolarHBondContact O-N 3.17Å
292	N	85.1	Confident	92.9	Very high	143 Å²	143	56.4 Å²	56.4	77%	0.765	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	19.6	-178.9	-49.7	-61.7	0	0	0	115	F290	F290-N292 PolarHBondContact O-N 3.37Å
293	T	91.9	Very high	93.1	Very high	50 Å²	50	52.3 Å²	52.3	31%	0.307	26%	0.259	S	S	.	.	S	Bend	trans	-104.2	169.5	169.8	73.1	0	0	0	0	110.4	Q281 F290 K291 E295	Q281-T293 PolarHBondContact NE2-O 3.3Å; Q281-T293 PolarHBondContact OE1-O 3.44Å; F290-T293 PolarHBondContact O-N 3.18Å; F290-T293 PolarHBondContact O-OG1 3.25Å; K291-T293 PolarHBondContact O-N 3.17Å; T293-E295 PolarHBondContact O-N 2.96Å; T293-E295 PolarHBondContact OG1-N 2.86Å; T293-E295 PolarHBondContact OG1-O 3.13Å
294	D	92.3	Very high	93.3	Very high	75 Å²	75	49 Å²	49	40%	0.401	24%	0.24	S	C	.	.	S	Bend	trans	-82.8	26	170.6	-87.5	-5.6	0	0	0	111.3	H247 A248 K274	H247-D294 CarbonylContact C-O 3.48Å; A248-D294 HydrophobicContact CB-CB 4.1Å; A248-D294 WeakPolarHBondContact CB-O 3.25Å; A248-D294 PolarHBondContact N-O 3.09Å; K274-D294 IonicContact NZ-OD2 3.25Å; K274-D294 PolarHBondContact NZ-OD2 3.36Å
295	E	94.4	Very high	93.4	Very high	62 Å²	62	47.4 Å²	47.4	29%	0.29	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.3	-177.2	-66	-178	176.1	0	0	111.8	H245 I246 Q281 F290 T293	H245-E295 HydrophobicContact CB-CB 4.09Å; H245-E295 IonicContact CD2-OE1 3.7Å; H245-E295 IonicContact CD2-OE2 2.91Å; H245-E295 IonicContact CE1-OE1 3.35Å; H245-E295 PolarHBondContact CE1-OE1 2.82Å; H245-E295 IonicContact CE1-OE2 2.73Å; H245-E295 IonicContact CG-OE2 3.73Å; H245-E295 IonicContact ND1-OE1 2.77Å; H245-E295 IonicContact ND1-OE2 3.48Å; H245-E295 PolarHBondContact ND1-OE2 2.83Å; H245-E295 IonicContact NE2-OE1 2.7Å; H245-E295 PolarHBondContact NE2-OE1 3.33Å; H245-E295 IonicContact NE2-OE2 3.71Å; I246-E295 CarbonylContact O-C 3.56Å; I246-E295 WeakPolarHBondContact O-CA 3.5Å; Q281-E295 PolarHBondContact NE2-O 3.3Å; F290-E295 HydrophobicContact CD1-CB 3.83Å; F290-E295 HydrophobicContact CE1-CB 4.31Å; F290-E295 WeakPolarHBondContact CE1-OE2 3.31Å; T293-E295 PolarHBondContact O-N 2.96Å; T293-E295 PolarHBondContact OG1-N 2.86Å; T293-E295 PolarHBondContact OG1-O 3.13Å
296	V	95.1	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.7	179.5	178.9	0	0	0	0	109.1	H245 I246 I277 Q281 C300	H245-V296 CarbonylContact C-O 3.6Å; H245-V296 WeakPolarHBondContact CA-O 3.4Å; I246-V296 PolarHBondContact N-O 3.34Å; I246-V296 PolarHBondContact O-N 2.84Å; I277-V296 HydrophobicContact CG2-CG2 3.93Å; Q281-V296 HydrophobicContact CG-CG2 4.33Å; V296-C300 HydrophobicContact CG1-CB 3.84Å
297	S	96.4	Very high	93.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	164.3	177.3	76.9	0	0	0	0	112.5	E285 E299 C300 F301	E285-S297 PolarHBondContact OE1-OG 3.4Å; E285-S297 WeakPolarHBondContact OE2-CB 3.38Å; E285-S297 PolarHBondContact OE2-N 3.06Å; E285-S297 VanDerWaalsContact OE2-N 3.12Å; E285-S297 PolarHBondContact OE2-OG 3.39Å; S297-E299 PolarHBondContact O-N 3.21Å; S297-E299 PolarHBondContact OG-N 2.79Å; S297-C300 PolarHBondContact O-N 3.47Å; S297-C300 PolarHBondContact OG-N 2.75Å; S297-C300 VanDerWaalsContact OG-N 3.07Å; S297-F301 PolarHBondContact O-N 2.97Å
298	I	95.1	Very high	93.7	Very high	51 Å²	51	42.7 Å²	42.7	26%	0.262	21%	0.209	S	C	.	.	H	α-helix	trans	-62.8	-31.3	171.8	-165.5	171.1	0	0	0	112.2	E233 F236 F301 Y302	E233-I298 HydrophobicContact CG-CD1 4.11Å; F236-I298 HydrophobicContact CB-CD1 4.24Å; F236-I298 HydrophobicContact CB-CG1 4.25Å; F236-I298 HydrophobicContact CD1-CB 4.21Å; F236-I298 HydrophobicContact CD1-CD1 4.05Å; F236-I298 HydrophobicContact CD1-CG1 4.13Å; F236-I298 HydrophobicContact CD2-CB 3.98Å; F236-I298 HydrophobicContact CD2-CG1 3.87Å; F236-I298 HydrophobicContact CE1-CB 4.03Å; F236-I298 HydrophobicContact CE1-CG1 4.46Å; F236-I298 HydrophobicContact CE2-CB 3.79Å; F236-I298 HydrophobicContact CE2-CG1 4.22Å; F236-I298 HydrophobicContact CG-CB 4.18Å; F236-I298 HydrophobicContact CG-CD1 4.05Å; F236-I298 HydrophobicContact CG-CG1 3.81Å; F236-I298 HydrophobicContact CZ-CB 3.8Å; F236-I298 HydrophobicContact CZ-CG1 4.49Å; I298-F301 WeakPolarHBondContact O-CB 3.41Å; I298-F301 PolarHBondContact O-N 3.5Å; I298-Y302 HydrophobicContact CD1-CE2 3.99Å; I298-Y302 HydrophobicContact CG1-CD2 4.07Å; I298-Y302 HydrophobicContact CG1-CE2 3.72Å; I298-Y302 WeakPolarHBondContact O-CD2 3.29Å; I298-Y302 PolarHBondContact O-N 3.37Å
299	E	94.3	Very high	93.7	Very high	28 Å²	28	38.6 Å²	38.6	13%	0.131	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-42.4	178.7	-179.4	56.1	-159	0	0	111.4	Y220 T286 S297 F301 Y302 R303	Y220-E299 WeakPolarHBondContact CE1-OE1 3.27Å; Y220-E299 PolarHBondContact OH-OE1 3.5Å; T286-E299 VanDerWaalsContact OG1-CG 3.31Å; T286-E299 WeakPolarHBondContact OG1-CG 3.46Å; S297-E299 PolarHBondContact O-N 3.21Å; S297-E299 PolarHBondContact OG-N 2.79Å; E299-F301 VanDerWaalsContact C-N 3.3Å; E299-F301 PolarHBondContact O-N 2.93Å; E299-Y302 PolarHBondContact O-N 3.49Å; E299-R303 WeakPolarHBondContact O-CG 3.43Å; E299-R303 PolarHBondContact O-N 3.43Å; E299-R303 IonicContact OE1-CZ 3.53Å; E299-R303 IonicContact OE1-NE 3.76Å; E299-R303 PolarHBondContact OE1-NE 2.9Å; E299-R303 IonicContact OE1-NH2 3.39Å; E299-R303 PolarHBondContact OE1-NH2 2.79Å; E299-R303 VanDerWaalsContact OE1-NH2 3.09Å
300	C	95.8	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-42.5	171	-174.3	0	0	0	0	111.2	E285 V296 S297 R303 Y304	E285-C300 HydrophobicContact CB-CB 4.13Å; E285-C300 VanDerWaalsContact OE2-CB 3.23Å; E285-C300 WeakPolarHBondContact OE2-CB 3.49Å; V296-C300 HydrophobicContact CG1-CB 3.84Å; S297-C300 PolarHBondContact O-N 3.47Å; S297-C300 PolarHBondContact OG-N 2.75Å; S297-C300 VanDerWaalsContact OG-N 3.07Å; C300-R303 PolarHBondContact O-N 3.24Å; C300-Y304 WeakPolarHBondContact O-CB 3.45Å; C300-Y304 PolarHBondContact O-N 2.78Å
301	F	96.5	Very high	93.9	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-44.3	177.8	-168.8	-114.7	0	0	0	112.7	I232 L235 F236 L239 I246 M251 F254 S297 I298 E299 Y304 L305	I232-F301 HydrophobicContact CG2-CD1 3.84Å; I232-F301 HydrophobicContact CG2-CE1 3.93Å; L235-F301 HydrophobicContact CD2-CE1 4.05Å; L235-F301 HydrophobicContact CD2-CZ 3.93Å; L235-F301 HydrophobicContact CG-CE1 4.15Å; L235-F301 HydrophobicContact CG-CZ 4.14Å; F236-F301 HydrophobicContact CB-CD1 4.17Å; F236-F301 HydrophobicContact CB-CE1 4.31Å; F236-F301 HydrophobicContact CD2-CB 3.95Å; F236-F301 AromaticContact CD2-CD1 3.81Å; F236-F301 HydrophobicContact CD2-CD1 3.81Å; F236-F301 AromaticContact CD2-CG 3.97Å; F236-F301 HydrophobicContact CD2-CG 3.97Å; F236-F301 HydrophobicContact CE2-CB 4.21Å; L239-F301 HydrophobicContact CD1-CE2 4.14Å; L239-F301 HydrophobicContact CD1-CZ 3.81Å; I246-F301 HydrophobicContact CD1-CD2 4.3Å; I246-F301 HydrophobicContact CD1-CE2 4.46Å; M251-F301 HydrophobicContact CE-CD2 4.01Å; M251-F301 HydrophobicContact CE-CE2 4.12Å; M251-F301 HydrophobicContact SD-CD2 4.08Å; M251-F301 HydrophobicContact SD-CE2 4.05Å; F254-F301 HydrophobicContact CD1-CE2 4.24Å; F254-F301 AromaticContact CE1-CE2 3.78Å; F254-F301 HydrophobicContact CE1-CE2 3.78Å; F254-F301 HydrophobicContact CE1-CZ 4.12Å; F254-F301 HydrophobicContact CZ-CE2 4.29Å; F254-F301 HydrophobicContact CZ-CZ 4.16Å; S297-F301 PolarHBondContact O-N 2.97Å; I298-F301 WeakPolarHBondContact O-CB 3.41Å; I298-F301 PolarHBondContact O-N 3.5Å; E299-F301 VanDerWaalsContact C-N 3.3Å; E299-F301 PolarHBondContact O-N 2.93Å; F301-Y304 PolarHBondContact O-N 3.05Å; F301-L305 HydrophobicContact CD1-CD1 3.94Å; F301-L305 HydrophobicContact CE1-CD1 3.48Å; F301-L305 VanDerWaalsContact CE1-CD1 3.48Å; F301-L305 HydrophobicContact CE1-CG 4.32Å; F301-L305 HydrophobicContact CE2-CD1 4.35Å; F301-L305 HydrophobicContact CE2-CG 4.39Å; F301-L305 HydrophobicContact CZ-CD1 3.71Å; F301-L305 HydrophobicContact CZ-CD2 4.48Å; F301-L305 HydrophobicContact CZ-CG 4.22Å; F301-L305 WeakPolarHBondContact O-CG 3.07Å; F301-L305 PolarHBondContact O-N 3.49Å
302	Y	95.4	Very high	94.2	Very high	11 Å²	11	29.4 Å²	29.4	4%	0.043	16%	0.155	C	C	.	.	H	α-helix	trans	-55.7	-52.2	172.5	-81.5	-54	0	0	0	111.8	H224 R229 I232 E233 I298 E299 Y304 L305 M306	H224-Y302 AromaticContact CE1-CD1 3.96Å; H224-Y302 AromaticContact CE1-CD2 3.83Å; H224-Y302 AromaticContact CE1-CE1 3.94Å; H224-Y302 AromaticContact CE1-CE2 3.82Å; H224-Y302 AromaticContact CE1-CG 3.92Å; H224-Y302 AromaticContact CE1-CZ 3.88Å; R229-Y302 HydrophobicContact CB-CE1 3.57Å; R229-Y302 HydrophobicContact CG-CE1 4.23Å; I232-Y302 HydrophobicContact CB-CD1 4.11Å; I232-Y302 HydrophobicContact CB-CE1 3.56Å; I232-Y302 HydrophobicContact CD1-CD1 3.77Å; I232-Y302 HydrophobicContact CD1-CE1 3.89Å; I232-Y302 HydrophobicContact CG1-CE1 4.29Å; I232-Y302 HydrophobicContact CG2-CD1 3.61Å; I232-Y302 HydrophobicContact CG2-CE1 3.42Å; I232-Y302 VanDerWaalsContact CG2-CE1 3.42Å; E233-Y302 WeakPolarHBondContact CG-OH 3.48Å; E233-Y302 PolarHBondContact OE1-OH 3.39Å; I298-Y302 HydrophobicContact CD1-CE2 3.99Å; I298-Y302 HydrophobicContact CG1-CD2 4.07Å; I298-Y302 HydrophobicContact CG1-CE2 3.72Å; I298-Y302 WeakPolarHBondContact O-CD2 3.29Å; I298-Y302 PolarHBondContact O-N 3.37Å; E299-Y302 PolarHBondContact O-N 3.49Å; Y302-Y304 VanDerWaalsContact C-N 3.34Å; Y302-Y304 PolarHBondContact O-N 3.01Å; Y302-L305 PolarHBondContact O-N 3.15Å; Y302-M306 WeakPolarHBondContact O-CB 3.41Å; Y302-M306 WeakPolarHBondContact O-CG 3.49Å; Y302-M306 PolarHBondContact O-N 3.2Å; Y302-M306 VanDerWaalsContact O-N 3.14Å
303	R	96	Very high	94.6	Very high	32 Å²	32	22.8 Å²	22.8	12%	0.121	12%	0.12	C	C	.	.	H	α-helix	trans	-63	-40.9	-176.9	-71.9	-174.6	-177.4	-119.2	-8.8	111.7	M154 E217 Y284 E299 C300 M306 S307	M154-R303 HydrophobicContact CE-CB 4.36Å; M154-R303 HydrophobicContact CE-CG 3.83Å; E217-R303 IonicContact OE1-NH1 3.5Å; E217-R303 PolarHBondContact OE1-NH1 2.91Å; E217-R303 IonicContact OE1-NH2 3.75Å; E217-R303 IonicContact OE2-CZ 2.86Å; E217-R303 IonicContact OE2-NH1 3.88Å; E217-R303 IonicContact OE2-NH2 3.21Å; E217-R303 PolarHBondContact OE2-NH2 2.89Å; Y284-R303 HydrophobicContact CD1-CB 4.12Å; Y284-R303 HydrophobicContact CG-CB 4.32Å; Y284-R303 WeakPolarHBondContact O-CD 3.47Å; E299-R303 WeakPolarHBondContact O-CG 3.43Å; E299-R303 PolarHBondContact O-N 3.43Å; E299-R303 IonicContact OE1-CZ 3.53Å; E299-R303 IonicContact OE1-NE 3.76Å; E299-R303 PolarHBondContact OE1-NE 2.9Å; E299-R303 IonicContact OE1-NH2 3.39Å; E299-R303 PolarHBondContact OE1-NH2 2.79Å; E299-R303 VanDerWaalsContact OE1-NH2 3.09Å; C300-R303 PolarHBondContact O-N 3.24Å; R303-M306 PolarHBondContact O-N 3.45Å; R303-S307 WeakPolarHBondContact O-CB 3.46Å; R303-S307 PolarHBondContact O-N 2.92Å; R303-S307 VanDerWaalsContact O-N 3.14Å
304	Y	96.1	Very high	94.6	Very high	19 Å²	19	21.9 Å²	21.9	8%	0.075	11%	0.112	C	C	.	.	H	α-helix	trans	-61.8	-50.9	174.2	171.7	-106.1	0	0	0	112.2	M251 L255 I280 Y284 C300 F301 Y302 M306 S307 D309 N310	M251-Y304 HydrophobicContact CE-CD1 3.82Å; M251-Y304 HydrophobicContact CE-CE1 3.98Å; M251-Y304 HydrophobicContact CE-CG 4.49Å; L255-Y304 HydrophobicContact CD2-CE1 3.85Å; L255-Y304 WeakPolarHBondContact CD2-OH 3.26Å; I280-Y304 HydrophobicContact CD1-CD2 4.03Å; I280-Y304 HydrophobicContact CD1-CE2 3.87Å; I280-Y304 HydrophobicContact CG1-CD2 4.05Å; I280-Y304 HydrophobicContact CG1-CE2 4.19Å; I280-Y304 HydrophobicContact CG2-CD2 4.23Å; I280-Y304 HydrophobicContact CG2-CG 4.33Å; Y284-Y304 HydrophobicContact CD2-CD2 4.25Å; Y284-Y304 HydrophobicContact CE2-CD2 4.01Å; C300-Y304 WeakPolarHBondContact O-CB 3.45Å; C300-Y304 PolarHBondContact O-N 2.78Å; F301-Y304 PolarHBondContact O-N 3.05Å; Y302-Y304 VanDerWaalsContact C-N 3.34Å; Y302-Y304 PolarHBondContact O-N 3.01Å; Y304-M306 PolarHBondContact O-N 2.71Å; Y304-M306 VanDerWaalsContact O-N 3.12Å; Y304-S307 PolarHBondContact O-N 2.86Å; Y304-S307 VanDerWaalsContact O-N 3.08Å; Y304-S307 PolarHBondContact O-OG 3.01Å; Y304-D309 HydrophobicContact CE2-CB 4.29Å; Y304-N310 HydrophobicContact CE1-CB 4.48Å; Y304-N310 VanDerWaalsContact O-CB 3.3Å; Y304-N310 WeakPolarHBondContact O-CB 3.45Å
305	L	96.5	Very high	94.6	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-23.7	-178	-73.4	-178.6	0	0	0	113.4	I232 L235 F301 Y302 N310 H834 F851	I232-L305 HydrophobicContact CD1-CD1 4.25Å; I232-L305 HydrophobicContact CG1-CD1 4.31Å; I232-L305 HydrophobicContact CG2-CD1 3.98Å; L235-L305 HydrophobicContact CD2-CD1 4.41Å; F301-L305 HydrophobicContact CD1-CD1 3.94Å; F301-L305 HydrophobicContact CE1-CD1 3.48Å; F301-L305 VanDerWaalsContact CE1-CD1 3.48Å; F301-L305 HydrophobicContact CE1-CG 4.32Å; F301-L305 HydrophobicContact CE2-CD1 4.35Å; F301-L305 HydrophobicContact CE2-CG 4.39Å; F301-L305 HydrophobicContact CZ-CD1 3.71Å; F301-L305 HydrophobicContact CZ-CD2 4.48Å; F301-L305 HydrophobicContact CZ-CG 4.22Å; F301-L305 WeakPolarHBondContact O-CG 3.07Å; F301-L305 PolarHBondContact O-N 3.49Å; Y302-L305 PolarHBondContact O-N 3.15Å; L305-N310 PolarHBondContact O-ND2 3.19Å; L305-N310 VanDerWaalsContact O-ND2 3.15Å; L305-H834 PolarHBondContact O-ND1 3.27Å; L305-F851 HydrophobicContact CD1-CZ 4.34Å
306	M	95.7	Very high	94.4	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.015	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	5.5	179.4	-63.3	179.5	66.4	0	0	113.6	C152 P153 M154 L157 Y302 R303 Y304	C152-M306 VanDerWaalsContact CB-O 3.28Å; C152-M306 WeakPolarHBondContact CB-O 3.33Å; P153-M306 HydrophobicContact CB-CB 4.37Å; P153-M306 HydrophobicContact CB-CE 4.03Å; M154-M306 HydrophobicContact CB-CB 4.11Å; M154-M306 VanDerWaalsContact CB-O 3.25Å; M154-M306 WeakPolarHBondContact CB-O 3.23Å; M154-M306 HydrophobicContact CE-CB 4.24Å; M154-M306 HydrophobicContact CE-SD 4.39Å; M154-M306 PolarHBondContact N-O 3.03Å; L157-M306 HydrophobicContact CD1-CE 3.47Å; L157-M306 VanDerWaalsContact CD1-CE 3.47Å; L157-M306 HydrophobicContact CG-CE 4.41Å; Y302-M306 WeakPolarHBondContact O-CB 3.41Å; Y302-M306 WeakPolarHBondContact O-CG 3.49Å; Y302-M306 PolarHBondContact O-N 3.2Å; Y302-M306 VanDerWaalsContact O-N 3.14Å; R303-M306 PolarHBondContact O-N 3.45Å; Y304-M306 PolarHBondContact O-N 2.71Å; Y304-M306 VanDerWaalsContact O-N 3.12Å
307	S	95.1	Very high	94.2	Very high	7 Å²	7	18.1 Å²	18.1	5%	0.049	9%	0.093	C	C	.	.	S	Bend	trans	-93.4	171	-178.5	80.6	0	0	0	0	113.4	Y284 R303 Y304 D309 N310	Y284-S307 VanDerWaalsContact CE1-CB 3.5Å; Y284-S307 VanDerWaalsContact CZ-CB 3.48Å; Y284-S307 VanDerWaalsContact CZ-OG 3.3Å; Y284-S307 WeakPolarHBondContact OH-CB 3.4Å; Y284-S307 PolarHBondContact OH-OG 2.86Å; R303-S307 WeakPolarHBondContact O-CB 3.46Å; R303-S307 PolarHBondContact O-N 2.92Å; R303-S307 VanDerWaalsContact O-N 3.14Å; Y304-S307 PolarHBondContact O-N 2.86Å; Y304-S307 VanDerWaalsContact O-N 3.08Å; Y304-S307 PolarHBondContact O-OG 3.01Å; S307-D309 PolarHBondContact O-N 3.13Å; S307-D309 PolarHBondContact OG-N 2.9Å; S307-N310 PolarHBondContact O-N 3.08Å
308	D	93.1	Very high	94.1	Very high	33 Å²	33	18.2 Å²	18.2	18%	0.176	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-66.2	-24.8	175.1	-63.3	-49.9	0	0	0	112.1	F20 C152 N310 A311 L315	F20-D308 HydrophobicContact CD1-CB 4.22Å; C152-D308 HydrophobicContact CB-CB 4.43Å; C152-D308 WeakPolarHBondContact CB-OD1 3.32Å; C152-D308 PolarHBondContact N-OD1 3.25Å; C152-D308 PolarHBondContact SG-OD1 3.37Å; D308-N310 PolarHBondContact O-N 3.08Å; D308-A311 WeakPolarHBondContact O-CB 3.47Å; D308-A311 PolarHBondContact O-N 3.46Å; D308-L315 HydrophobicContact CB-CD1 3.9Å; D308-L315 WeakPolarHBondContact O-CD1 3.41Å
309	D	91.7	Very high	93.9	Very high	64 Å²	64	18.6 Å²	18.6	34%	0.342	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-70.4	-15.2	176.7	-70.5	-18.1	0	0	0	112.7	Y279 Y284 Y304 S307	Y279-D309 VanDerWaalsContact CE1-OD2 3.23Å; Y279-D309 WeakPolarHBondContact CE1-OD2 3.5Å; Y279-D309 PolarHBondContact OH-OD2 3.44Å; Y284-D309 PolarHBondContact OH-OD2 3.08Å; Y304-D309 HydrophobicContact CE2-CB 4.29Å; S307-D309 PolarHBondContact O-N 3.13Å; S307-D309 PolarHBondContact OG-N 2.9Å
310	N	94.6	Very high	93.9	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-112.4	25.7	174.4	-164	54.3	0	0	0	112.9	Q259 Y304 L305 S307 D308 Y832 R833	Q259-N310 PolarHBondContact NE2-OD1 3.04Å; Y304-N310 HydrophobicContact CE1-CB 4.48Å; Y304-N310 VanDerWaalsContact O-CB 3.3Å; Y304-N310 WeakPolarHBondContact O-CB 3.45Å; L305-N310 PolarHBondContact O-ND2 3.19Å; L305-N310 VanDerWaalsContact O-ND2 3.15Å; S307-N310 PolarHBondContact O-N 3.08Å; D308-N310 PolarHBondContact O-N 3.08Å; N310-Y832 PolarHBondContact ND2-O 2.97Å; N310-R833 VanDerWaalsContact C-NH1 3.33Å; N310-R833 WeakPolarHBondContact O-CD 3.48Å; N310-R833 PolarHBondContact O-NH1 3.24Å; N310-R833 PolarHBondContact OD1-NH1 3.33Å
311	A	94	Very high	93.7	Very high	16 Å²	16	25.2 Å²	25.2	13%	0.132	13%	0.126	C	C	.	.			trans	-55.9	149.1	178	0	0	0	0	0	113.3	D308 V313 L315 Q829 R833	D308-A311 WeakPolarHBondContact O-CB 3.47Å; D308-A311 PolarHBondContact O-N 3.46Å; A311-V313 VanDerWaalsContact C-N 3.29Å; A311-V313 WeakPolarHBondContact CB-O 3.14Å; A311-V313 PolarHBondContact O-N 3.4Å; A311-L315 HydrophobicContact CB-CD1 3.89Å; A311-L315 HydrophobicContact CB-CD2 3.84Å; A311-L315 HydrophobicContact CB-CG 3.74Å; A311-Q829 PolarHBondContact O-NE2 2.78Å; A311-Q829 VanDerWaalsContact O-NE2 3.14Å; A311-R833 PolarHBondContact O-NH1 3.32Å
312	C	93.9	Very high	93.6	Very high	17 Å²	17	27 Å²	27	12%	0.115	13%	0.134	C	C	.	.	S	Bend	trans	-71.8	-21.6	-180	57.1	0	0	0	0	113.9	L823 L828 Q829 R833 I835	C312-L823 HydrophobicContact CB-CD1 4.2Å; C312-L828 WeakPolarHBondContact O-CD1 3.41Å; C312-Q829 PolarHBondContact O-N 2.86Å; C312-R833 HydrophobicContact CB-CB 4.02Å; C312-R833 HydrophobicContact CB-CG 4.37Å; C312-I835 HydrophobicContact CB-CG1 4.3Å
313	V	92.9	Very high	93.7	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.024	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-129.2	154.9	177.2	-69.3	0	0	0	0	109.2	A311 L315 Y702 L823 G827 L828 Q829	A311-V313 VanDerWaalsContact C-N 3.29Å; A311-V313 WeakPolarHBondContact CB-O 3.14Å; A311-V313 PolarHBondContact O-N 3.4Å; V313-L315 PolarHBondContact O-N 3.02Å; V313-Y702 HydrophobicContact CB-CE1 4.47Å; V313-Y702 HydrophobicContact CG2-CE1 4.18Å; V313-L823 HydrophobicContact CG1-CB 4.38Å; V313-L823 HydrophobicContact CG1-CD2 4.04Å; V313-G827 CarbonylContact C-O 3.56Å; V313-G827 VanDerWaalsContact CA-O 3.27Å; V313-G827 WeakPolarHBondContact CA-O 3.5Å; V313-L828 HydrophobicContact CG1-CD1 4.19Å; V313-Q829 PolarHBondContact O-NE2 2.86Å
314	F	91.7	Very high	93.8	Very high	31 Å²	31	27.9 Å²	27.9	14%	0.136	14%	0.142	C	C	.	.			trans	-63.2	121.3	170.6	-66.7	-66.5	0	0	0	110.5	L264 Y269 D316 K317 G827 Q829	L264-F314 HydrophobicContact CD1-CZ 3.78Å; L264-F314 HydrophobicContact CD2-CE2 4.25Å; L264-F314 HydrophobicContact CD2-CZ 4.16Å; Y269-F314 HydrophobicContact CE1-CE1 4.18Å; Y269-F314 HydrophobicContact CE1-CZ 4.1Å; F314-D316 VanDerWaalsContact C-N 3.26Å; F314-D316 WeakPolarHBondContact CB-OD1 3.27Å; F314-D316 PolarHBondContact O-N 3.29Å; F314-K317 HydrophobicContact CB-CG 4.35Å; F314-K317 WeakPolarHBondContact O-CB 3.29Å; F314-K317 PolarHBondContact O-N 2.94Å; F314-G827 WeakPolarHBondContact CD2-O 3.28Å; F314-G827 PolarHBondContact N-O 3.35Å; F314-Q829 HydrophobicContact CD1-CG 4.22Å; F314-Q829 HydrophobicContact CD2-CG 4.49Å; F314-Q829 HydrophobicContact CE1-CG 4.12Å; F314-Q829 HydrophobicContact CE2-CG 4.39Å; F314-Q829 HydrophobicContact CG-CG 4.39Å; F314-Q829 HydrophobicContact CZ-CG 4.22Å
315	L	91.8	Very high	93.9	Very high	16 Å²	16	31.3 Å²	31.3	8%	0.084	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-73.2	-16.5	-171.8	-66.5	175.5	0	0	0	113.6	F18 F20 D308 A311 V313 K317 L318	F18-L315 HydrophobicContact CE1-CB 3.79Å; F20-L315 HydrophobicContact CB-CD1 3.87Å; F20-L315 HydrophobicContact CD1-CD1 3.68Å; F20-L315 HydrophobicContact CD2-CB 3.67Å; F20-L315 HydrophobicContact CD2-CD1 3.99Å; F20-L315 HydrophobicContact CD2-CG 4.3Å; F20-L315 HydrophobicContact CE1-CD1 4.14Å; F20-L315 HydrophobicContact CE1-CD2 4.47Å; F20-L315 HydrophobicContact CE2-CB 4Å; F20-L315 HydrophobicContact CE2-CD1 4.42Å; F20-L315 HydrophobicContact CE2-CD2 4.28Å; F20-L315 HydrophobicContact CE2-CG 4.47Å; F20-L315 HydrophobicContact CG-CB 4.11Å; F20-L315 HydrophobicContact CG-CD1 3.58Å; F20-L315 HydrophobicContact CG-CG 4.38Å; F20-L315 HydrophobicContact CZ-CD1 4.47Å; F20-L315 HydrophobicContact CZ-CD2 4.21Å; D308-L315 HydrophobicContact CB-CD1 3.9Å; D308-L315 WeakPolarHBondContact O-CD1 3.41Å; A311-L315 HydrophobicContact CB-CD1 3.89Å; A311-L315 HydrophobicContact CB-CD2 3.84Å; A311-L315 HydrophobicContact CB-CG 3.74Å; V313-L315 PolarHBondContact O-N 3.02Å; L315-K317 PolarHBondContact O-N 3.44Å; L315-L318 HydrophobicContact CD2-CD1 3.95Å; L315-L318 WeakPolarHBondContact O-CB 3.43Å; L315-L318 PolarHBondContact O-N 3.35Å
316	D	90	Very high	93.9	Very high	30 Å²	30	33.8 Å²	33.8	16%	0.16	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-67	-22.7	172.1	67.8	-30.8	0	0	0	112.4	F18 F314 L318 D319	F18-D316 HydrophobicContact CD2-CB 3.81Å; F18-D316 HydrophobicContact CE1-CB 4.2Å; F18-D316 HydrophobicContact CE2-CB 3.44Å; F18-D316 VanDerWaalsContact CE2-CB 3.44Å; F18-D316 HydrophobicContact CG-CB 4.33Å; F18-D316 HydrophobicContact CZ-CB 3.67Å; F314-D316 VanDerWaalsContact C-N 3.26Å; F314-D316 WeakPolarHBondContact CB-OD1 3.27Å; F314-D316 PolarHBondContact O-N 3.29Å; D316-L318 PolarHBondContact O-N 2.93Å; D316-D319 WeakPolarHBondContact O-CB 3.4Å; D316-D319 PolarHBondContact O-N 3.48Å
317	K	92.1	Very high	94	Very high	12 Å²	12	35 Å²	35	5%	0.052	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-70.6	-10.9	174.9	-62.1	-164.3	170.1	-157.5	0	114.6	F314 L315 D319 Y321 Y702 N703 D826	F314-K317 HydrophobicContact CB-CG 4.35Å; F314-K317 WeakPolarHBondContact O-CB 3.29Å; F314-K317 PolarHBondContact O-N 2.94Å; L315-K317 PolarHBondContact O-N 3.44Å; K317-D319 VanDerWaalsContact C-N 3.3Å; K317-Y321 HydrophobicContact CB-CD1 4.04Å; K317-Y321 HydrophobicContact CB-CE1 3.76Å; K317-Y321 HydrophobicContact CD-CE1 4.39Å; K317-Y321 HydrophobicContact CD-CE2 4.35Å; K317-Y321 HydrophobicContact CG-CD1 4.3Å; K317-Y321 HydrophobicContact CG-CD2 4.48Å; K317-Y321 HydrophobicContact CG-CE1 4.01Å; K317-Y321 HydrophobicContact CG-CE2 4.21Å; K317-Y702 HydrophobicContact CB-CD1 4.1Å; K317-N703 PolarHBondContact O-N 3.07Å; K317-D826 PolarHBondContact NZ-O 3.47Å; K317-D826 IonicContact NZ-OD1 3.06Å; K317-D826 PolarHBondContact NZ-OD1 3.06Å; K317-D826 IonicContact NZ-OD2 3.62Å; K317-D826 PolarHBondContact NZ-OD2 3.34Å
318	L	93	Very high	94.2	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-82.2	-11.1	171.1	-62.2	171.3	0	0	0	112.2	F20 N150 L315 D316 E701 Y702 G704	F20-L318 HydrophobicContact CE2-CD1 4.01Å; F20-L318 HydrophobicContact CZ-CD1 4.13Å; N150-L318 HydrophobicContact CB-CD1 3.41Å; N150-L318 VanDerWaalsContact CB-CD1 3.41Å; L315-L318 HydrophobicContact CD2-CD1 3.95Å; L315-L318 WeakPolarHBondContact O-CB 3.43Å; L315-L318 PolarHBondContact O-N 3.35Å; D316-L318 PolarHBondContact O-N 2.93Å; L318-E701 HydrophobicContact CD2-CG 4.43Å; L318-Y702 HydrophobicContact CD2-CD1 4.28Å; L318-Y702 HydrophobicContact CD2-CE1 4.3Å; L318-G704 WeakPolarHBondContact O-CA 3.43Å; L318-G704 PolarHBondContact O-N 3.18Å
319	D	92	Very high	94.4	Very high	58 Å²	58	33.1 Å²	33.1	31%	0.31	17%	0.171	S	C	.	.	S	Bend	trans	-86.2	168.3	165.2	-77.2	-48.7	0	0	0	110.8	K147 D316 K317 Y321 N703 G704	K147-D319 WeakPolarHBondContact CE-OD1 3.41Å; K147-D319 WeakPolarHBondContact CE-OD2 3.46Å; K147-D319 IonicContact NZ-OD1 3.97Å; K147-D319 PolarHBondContact NZ-OD1 3.11Å; K147-D319 IonicContact NZ-OD2 3.96Å; K147-D319 PolarHBondContact NZ-OD2 3.41Å; D316-D319 WeakPolarHBondContact O-CB 3.4Å; D316-D319 PolarHBondContact O-N 3.48Å; K317-D319 VanDerWaalsContact C-N 3.3Å; D319-Y321 WeakPolarHBondContact O-CD1 3.43Å; D319-Y321 PolarHBondContact O-N 3.26Å; D319-N703 CarbonylContact O-C 3.56Å; D319-N703 VanDerWaalsContact O-CA 3.28Å; D319-N703 WeakPolarHBondContact O-CA 3.24Å; D319-G704 PolarHBondContact O-N 3.35Å
320	I	93.2	Very high	94.7	Very high	96 Å²	96	31.2 Å²	31.2	49%	0.492	16%	0.16	S	C	.	.	S	Bend	trans	-68.5	101.9	165.2	-59.6	177.7	0	0	0	107.1	M324 N703 C706	I320-M324 HydrophobicContact CG2-CG 3.78Å; I320-M324 HydrophobicContact CG2-SD 4.29Å; I320-N703 WeakPolarHBondContact CA-OD1 3.36Å; I320-C706 HydrophobicContact CD1-CB 4.28Å; I320-C706 HydrophobicContact CG1-CB 4.41Å
321	Y	92.7	Very high	94.9	Very high	72 Å²	72	31.1 Å²	31.1	28%	0.282	16%	0.159	S	C	.	.			trans	-117	-20.2	-174.4	79.7	-84.7	0	0	0	112.8	K317 D319 N703 D826	K317-Y321 HydrophobicContact CB-CD1 4.04Å; K317-Y321 HydrophobicContact CB-CE1 3.76Å; K317-Y321 HydrophobicContact CD-CE1 4.39Å; K317-Y321 HydrophobicContact CD-CE2 4.35Å; K317-Y321 HydrophobicContact CG-CD1 4.3Å; K317-Y321 HydrophobicContact CG-CD2 4.48Å; K317-Y321 HydrophobicContact CG-CE1 4.01Å; K317-Y321 HydrophobicContact CG-CE2 4.21Å; D319-Y321 WeakPolarHBondContact O-CD1 3.43Å; D319-Y321 PolarHBondContact O-N 3.26Å; Y321-N703 HydrophobicContact CD1-CB 4.35Å; Y321-N703 HydrophobicContact CE1-CB 4.18Å; Y321-N703 PolarHBondContact N-OD1 2.78Å; Y321-D826 PolarHBondContact OH-OD2 3.02Å
322	Q	95.3	Very high	95.1	Very high	37 Å²	37	30.5 Å²	30.5	17%	0.173	15%	0.154	C	C	.	.	S	Bend	trans	-81.3	156.2	178.7	-61.4	-175.9	-22.6	0	0	110.7	M324 N703 L710	Q322-M324 PolarHBondContact O-N 3.11Å; Q322-N703 HydrophobicContact CG-CB 4.47Å; Q322-N703 PolarHBondContact N-OD1 3.07Å; Q322-N703 VanDerWaalsContact N-OD1 3.09Å; Q322-L710 HydrophobicContact CB-CB 4.24Å
323	D	96.9	Very high	95.3	Very high	50 Å²	50	29.8 Å²	29.8	27%	0.267	15%	0.149	S	C	.	.			trans	-64.5	122.5	173.8	179.3	8.8	0	0	0	110.1	D325 Q326 Y331 L710	D323-D325 WeakPolarHBondContact OD1-CB 3.18Å; D323-D325 PolarHBondContact OD1-N 3.03Å; D323-Q326 WeakPolarHBondContact OD2-CG 3.49Å; D323-Q326 PolarHBondContact OD2-NE2 2.62Å; D323-Y331 VanDerWaalsContact O-CE1 3.26Å; D323-Y331 WeakPolarHBondContact O-CE1 3.45Å; D323-Y331 PolarHBondContact O-OH 3.3Å; D323-L710 HydrophobicContact CB-CD2 4.19Å
324	M	97.7	Very high	95.6	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.064	15%	0.148	C	C	.	.			trans	-103.5	5.6	-179.9	-57.6	-55.2	-64.7	0	0	113	I320 Q322 Y331 P460 E461 Y708	I320-M324 HydrophobicContact CG2-CG 3.78Å; I320-M324 HydrophobicContact CG2-SD 4.29Å; Q322-M324 PolarHBondContact O-N 3.11Å; M324-Y331 WeakPolarHBondContact CA-OH 3.18Å; M324-Y331 HydrophobicContact CE-CE1 4.33Å; M324-Y331 HydrophobicContact SD-CE1 4.07Å; M324-P460 HydrophobicContact CE-CB 3.87Å; M324-P460 HydrophobicContact CE-CG 4.26Å; M324-P460 WeakPolarHBondContact O-CD 3.16Å; M324-E461 HydrophobicContact CB-CB 4.27Å; M324-E461 VanDerWaalsContact O-CB 3.29Å; M324-E461 WeakPolarHBondContact O-CB 3.35Å; M324-E461 PolarHBondContact O-N 3.45Å; M324-E461 VanDerWaalsContact O-N 3.09Å; M324-Y708 HydrophobicContact CE-CG 4.49Å
325	D	97.4	Very high	96	Very high	91 Å²	91	28.2 Å²	28.2	49%	0.487	14%	0.142	S	C	.	.			trans	-100.1	9.8	-178.8	-75.1	-58.4	0	0	0	113.7	D323 Y331 E461	D323-D325 WeakPolarHBondContact OD1-CB 3.18Å; D323-D325 PolarHBondContact OD1-N 3.03Å; D325-Y331 PolarHBondContact N-OH 3.01Å; D325-E461 WeakPolarHBondContact OD1-CB 3.47Å
326	Q	97.7	Very high	96.3	Very high	53 Å²	53	27.5 Å²	27.5	25%	0.248	14%	0.138	C	C	.	.	S	Bend	trans	-84.4	158.9	173.2	-58.3	-67.2	-43.3	0	0	111.3	D323 H330 Y331 P459 P460 L710	D323-Q326 WeakPolarHBondContact OD2-CG 3.49Å; D323-Q326 PolarHBondContact OD2-NE2 2.62Å; Q326-H330 HydrophobicContact CB-CB 3.98Å; Q326-Y331 HydrophobicContact CB-CE2 3.79Å; Q326-Y331 VanDerWaalsContact CB-OH 3.31Å; Q326-Y331 WeakPolarHBondContact CB-OH 3.27Å; Q326-Y331 PolarHBondContact N-OH 2.99Å; Q326-Y331 VanDerWaalsContact O-CE2 3.26Å; Q326-Y331 WeakPolarHBondContact O-CE2 3.49Å; Q326-P459 WeakPolarHBondContact O-CA 3.43Å; Q326-P459 WeakPolarHBondContact O-CB 3.42Å; Q326-P460 WeakPolarHBondContact O-CD 3.2Å; Q326-L710 HydrophobicContact CB-CD1 4Å; Q326-L710 HydrophobicContact CG-CD1 3.83Å
327	P	97.7	Very high	96.7	Very high	28 Å²	28	26.8 Å²	26.8	18%	0.182	13%	0.134	C	C	.	.			trans	-54.3	147.2	174.7	-27.6	34.8	0	0	0	113.6	S329 H330 Y331 A456 L457	P327-S329 PolarHBondContact O-N 2.92Å; P327-S329 VanDerWaalsContact O-N 3.09Å; P327-H330 VanDerWaalsContact O-CB 3.23Å; P327-H330 WeakPolarHBondContact O-CB 3.3Å; P327-H330 PolarHBondContact O-N 3Å; P327-Y331 WeakPolarHBondContact O-CD2 3.31Å; P327-Y331 WeakPolarHBondContact O-CE2 3.47Å; P327-A456 HydrophobicContact CB-CB 4.48Å; P327-A456 HydrophobicContact CG-CB 4.12Å; P327-L457 WeakPolarHBondContact CA-O 3.41Å; P327-L457 HydrophobicContact CB-CB 4.4Å; P327-L457 WeakPolarHBondContact CB-O 3.32Å
328	L	98.1	Very high	96.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-51.1	-36	178.2	-90.7	167.8	0	0	0	114.1	H330 Y331 I333 L457 P458 P460 L463 M654 Y708	L328-H330 PolarHBondContact O-N 2.94Å; L328-H330 VanDerWaalsContact O-N 3.08Å; L328-Y331 PolarHBondContact O-N 2.76Å; L328-I333 HydrophobicContact CD2-CD1 4.39Å; L328-L457 HydrophobicContact CB-CB 3.99Å; L328-L457 HydrophobicContact CB-CD1 4.03Å; L328-P458 WeakPolarHBondContact CG-O 3.31Å; L328-P458 PolarHBondContact N-O 3.28Å; L328-P460 HydrophobicContact CD2-CG 4.12Å; L328-L463 HydrophobicContact CD1-CD1 3.51Å; L328-L463 HydrophobicContact CG-CD1 4.29Å; L328-M654 HydrophobicContact CB-SD 4.23Å; L328-Y708 HydrophobicContact CD2-CE1 3.58Å
329	S	98	Very high	97.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-60.1	-18.2	176.7	55.8	0	0	0	0	113.2	P327 Y331 K651 Q680 K711	P327-S329 PolarHBondContact O-N 2.92Å; P327-S329 VanDerWaalsContact O-N 3.09Å; S329-Y331 VanDerWaalsContact C-N 3.35Å; S329-K651 WeakPolarHBondContact CB-O 3.41Å; S329-K651 PolarHBondContact OG-O 3.23Å; S329-Q680 PolarHBondContact O-NE2 2.95Å; S329-K711 WeakPolarHBondContact O-CE 3.23Å; S329-K711 PolarHBondContact O-NZ 2.79Å
330	H	98.3	Very high	97.3	Very high	24 Å²	24	23.6 Å²	23.6	11%	0.111	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-85.6	1	-178.3	-72.3	-170.1	0	0	0	114.4	Q326 P327 L328 K651 L710 K711 R716	Q326-H330 HydrophobicContact CB-CB 3.98Å; P327-H330 VanDerWaalsContact O-CB 3.23Å; P327-H330 WeakPolarHBondContact O-CB 3.3Å; P327-H330 PolarHBondContact O-N 3Å; L328-H330 PolarHBondContact O-N 2.94Å; L328-H330 VanDerWaalsContact O-N 3.08Å; H330-K651 PolarHBondContact CD2-O 3.18Å; H330-K651 PolarHBondContact NE2-O 3.39Å; H330-L710 HydrophobicContact CB-CD1 4.2Å; H330-K711 VanDerWaalsContact C-CE 3.46Å; H330-K711 VanDerWaalsContact O-CB 3.3Å; H330-K711 WeakPolarHBondContact O-CB 3.46Å; H330-K711 VanDerWaalsContact O-CG 3.3Å; H330-K711 WeakPolarHBondContact O-CG 3.17Å; H330-K711 PolarHBondContact O-N 2.91Å; H330-R716 HydrophobicContact CB-CG 3.91Å
331	Y	98.6	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.3	-178.3	-59.7	-96.5	0	0	0	112.2	D323 M324 D325 Q326 P327 L328 S329 P460 Q680 Y708 L709 L710	D323-Y331 VanDerWaalsContact O-CE1 3.26Å; D323-Y331 WeakPolarHBondContact O-CE1 3.45Å; D323-Y331 PolarHBondContact O-OH 3.3Å; M324-Y331 WeakPolarHBondContact CA-OH 3.18Å; M324-Y331 HydrophobicContact CE-CE1 4.33Å; M324-Y331 HydrophobicContact SD-CE1 4.07Å; D325-Y331 PolarHBondContact N-OH 3.01Å; Q326-Y331 HydrophobicContact CB-CE2 3.79Å; Q326-Y331 VanDerWaalsContact CB-OH 3.31Å; Q326-Y331 WeakPolarHBondContact CB-OH 3.27Å; Q326-Y331 PolarHBondContact N-OH 2.99Å; Q326-Y331 VanDerWaalsContact O-CE2 3.26Å; Q326-Y331 WeakPolarHBondContact O-CE2 3.49Å; P327-Y331 WeakPolarHBondContact O-CD2 3.31Å; P327-Y331 WeakPolarHBondContact O-CE2 3.47Å; L328-Y331 PolarHBondContact O-N 2.76Å; S329-Y331 VanDerWaalsContact C-N 3.35Å; Y331-P460 HydrophobicContact CD2-CG 3.85Å; Y331-P460 HydrophobicContact CE1-CG 4.4Å; Y331-P460 HydrophobicContact CE2-CG 3.68Å; Y331-P460 HydrophobicContact CG-CG 4.31Å; Y331-Q680 WeakPolarHBondContact O-CB 2.91Å; Y331-Q680 WeakPolarHBondContact O-CG 3.19Å; Y331-Y708 HydrophobicContact CG-CD1 4.13Å; Y331-L709 CarbonylContact C-O 3.59Å; Y331-L709 VanDerWaalsContact CA-O 3.25Å; Y331-L709 WeakPolarHBondContact CA-O 3.36Å; Y331-L710 HydrophobicContact CD1-CB 4.15Å; Y331-L710 HydrophobicContact CD1-CD1 4.17Å; Y331-L710 HydrophobicContact CE1-CB 3.98Å; Y331-L710 HydrophobicContact CE1-CD1 3.72Å; Y331-L710 HydrophobicContact CE1-CG 4.44Å; Y331-L710 HydrophobicContact CE2-CD1 4.27Å
332	Y	98.6	Very high	97.5	Very high	4 Å²	4	18 Å²	18	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.6	155.1	-56.7	-59.4	0	0	0	109	W675 C679 Y708 L709 K711 M715 L803	Y332-W675 HydrophobicContact CD1-CB 4.23Å; Y332-W675 AromaticContact CD1-CD1 3.45Å; Y332-W675 VanDerWaalsContact CD1-CD1 3.45Å; Y332-W675 AromaticContact CD1-CG 4Å; Y332-W675 HydrophobicContact CD1-CG 4Å; Y332-W675 HydrophobicContact CE1-CB 3.69Å; Y332-W675 AromaticContact CE1-CD1 3.79Å; Y332-W675 AromaticContact CE1-CG 3.98Å; Y332-W675 HydrophobicContact CE1-CG 3.98Å; Y332-W675 WeakPolarHBondContact CE1-O 3.24Å; Y332-W675 HydrophobicContact CG-CG 4.5Å; Y332-W675 PolarHBondContact OH-O 3.24Å; Y332-C679 WeakPolarHBondContact CD1-O 3.26Å; Y332-Y708 WeakPolarHBondContact O-CA 3.23Å; Y332-L709 HydrophobicContact CD2-CB 4.42Å; Y332-L709 PolarHBondContact N-O 3.08Å; Y332-L709 PolarHBondContact O-N 2.7Å; Y332-K711 HydrophobicContact CD1-CD 4.15Å; Y332-K711 HydrophobicContact CD1-CG 4.05Å; Y332-K711 HydrophobicContact CD2-CG 3.96Å; Y332-K711 HydrophobicContact CE1-CD 3.73Å; Y332-K711 HydrophobicContact CE1-CG 3.79Å; Y332-K711 HydrophobicContact CE2-CB 4.37Å; Y332-K711 HydrophobicContact CE2-CG 3.71Å; Y332-K711 HydrophobicContact CG-CG 4.14Å; Y332-M715 PolarHBondContact OH-SD 3.4Å; Y332-L803 HydrophobicContact CE2-CD1 3.95Å; Y332-L803 WeakPolarHBondContact OH-CD1 3.37Å
333	I	98.8	Very high	97.2	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.3	-174.3	-52.3	178.6	0	0	0	108.5	L328 S335 R364 I414 M654 Q680 M681 Y708	L328-I333 HydrophobicContact CD2-CD1 4.39Å; I333-S335 PolarHBondContact O-N 2.94Å; I333-S335 PolarHBondContact O-OG 3.24Å; I333-R364 HydrophobicContact CG2-CB 3.83Å; I333-I414 HydrophobicContact CD1-CD1 4.26Å; I333-M654 HydrophobicContact CD1-SD 4.41Å; I333-Q680 HydrophobicContact CD1-CB 4.19Å; I333-Q680 HydrophobicContact CG1-CB 4.19Å; I333-Q680 PolarHBondContact N-O 2.99Å; I333-Q680 VanDerWaalsContact O-O 3.12Å; I333-M681 HydrophobicContact CB-CG 4.26Å; I333-M681 HydrophobicContact CD1-CG 4.26Å; I333-Y708 HydrophobicContact CB-CE1 4.34Å; I333-Y708 HydrophobicContact CD1-CD1 4.43Å; I333-Y708 HydrophobicContact CD1-CE1 3.67Å; I333-Y708 HydrophobicContact CG1-CD1 3.87Å; I333-Y708 HydrophobicContact CG1-CE1 3.54Å; I333-Y708 HydrophobicContact CG2-CE1 4.04Å; I333-Y708 HydrophobicContact CG2-CE2 4.48Å
334	N	98.8	Very high	96.7	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	119.6	179	-168.2	7.7	0	0	0	110	C363 R364 C365 F686 N696 F700 G707	N334-C363 PolarHBondContact O-SG 2.88Å; N334-R364 PolarHBondContact O-N 3.39Å; N334-C365 PolarHBondContact O-N 3.21Å; N334-F686 WeakPolarHBondContact OD1-CZ 3.14Å; N334-N696 PolarHBondContact OD1-ND2 3.34Å; N334-F700 HydrophobicContact CB-CB 4.4Å; N334-F700 HydrophobicContact CB-CD1 3.78Å; N334-F700 HydrophobicContact CB-CD2 3.78Å; N334-F700 HydrophobicContact CB-CE1 3.89Å; N334-F700 HydrophobicContact CB-CE2 3.9Å; N334-F700 HydrophobicContact CB-CG 3.73Å; N334-F700 HydrophobicContact CB-CZ 3.95Å; N334-F700 VanDerWaalsContact N-CZ 3.31Å; N334-G707 PolarHBondContact N-O 2.93Å
335	S	98.8	Very high	95.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.4	-162.9	-60.9	0	0	0	0	112.7	I333 C365 M681 A683 L684 F686	I333-S335 PolarHBondContact O-N 2.94Å; I333-S335 PolarHBondContact O-OG 3.24Å; S335-C365 WeakPolarHBondContact OG-CB 3.18Å; S335-M681 VanDerWaalsContact OG-CA 3.26Å; S335-M681 WeakPolarHBondContact OG-CA 3.37Å; S335-A683 WeakPolarHBondContact O-CA 3.34Å; S335-L684 PolarHBondContact O-N 3.27Å; S335-F686 WeakPolarHBondContact O-CE2 3.47Å
336	S	98.6	Very high	95.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.3	177.6	173.6	0	0	0	0	111.2	T339 C363 C365 R656 L684	S336-T339 WeakPolarHBondContact CB-OG1 3.37Å; S336-T339 WeakPolarHBondContact OG-CB 3.47Å; S336-T339 PolarHBondContact OG-OG1 3.45Å; S336-C363 PolarHBondContact N-SG 2.94Å; S336-C365 PolarHBondContact N-O 3.38Å; S336-R656 PolarHBondContact O-NH2 3.07Å; S336-L684 CarbonylContact C-O 3.52Å; S336-L684 WeakPolarHBondContact CA-O 3.27Å
337	H	97.7	Very high	94.2	Very high	16 Å²	16	16.6 Å²	16.6	7%	0.074	9%	0.089	C	C	.	.	S	Bend	trans	-109.3	141	170.8	171.9	-103.6	0	0	0	109.8	T339 E367 P659 A683 L684 N685	H337-T339 PolarHBondContact O-N 3.07Å; H337-E367 VanDerWaalsContact CA-OE2 3.28Å; H337-E367 WeakPolarHBondContact CA-OE2 3.36Å; H337-E367 IonicContact CD2-OE2 2.99Å; H337-E367 PolarHBondContact CD2-OE2 3.31Å; H337-E367 IonicContact CG-OE2 2.75Å; H337-E367 IonicContact NE2-OE2 2.78Å; H337-P659 HydrophobicContact CB-CG 4.23Å; H337-A683 HydrophobicContact CB-CB 3.95Å; H337-L684 PolarHBondContact N-O 3.38Å; H337-N685 PolarHBondContact ND1-OD1 3.23Å
338	N	96	Very high	93.5	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	9%	0.085	C	C	.	.	S	Bend	trans	40.2	52.9	-177.4	-70.8	-4.7	0	0	0	112.3	Y340 L341 Q345 E367 D369	N338-Y340 HydrophobicContact CB-CE1 3.99Å; N338-Y340 PolarHBondContact O-N 3.33Å; N338-L341 HydrophobicContact CB-CD1 3.85Å; N338-L341 HydrophobicContact CB-CG 4.26Å; N338-L341 PolarHBondContact O-N 2.98Å; N338-Q345 PolarHBondContact ND2-OE1 2.95Å; N338-E367 PolarHBondContact N-OE2 2.78Å; N338-E367 PolarHBondContact OD1-OE2 3.34Å; N338-D369 PolarHBondContact OD1-OD2 3.26Å
339	T	98.2	Very high	93.3	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-26.5	-168.1	-54.1	0	0	0	0	113.4	S336 H337 L341 M354 Y355 V358 I366 E367	S336-T339 WeakPolarHBondContact CB-OG1 3.37Å; S336-T339 WeakPolarHBondContact OG-CB 3.47Å; S336-T339 PolarHBondContact OG-OG1 3.45Å; H337-T339 PolarHBondContact O-N 3.07Å; T339-L341 VanDerWaalsContact C-N 3.31Å; T339-L341 PolarHBondContact O-N 3.02Å; T339-M354 WeakPolarHBondContact O-CB 3.43Å; T339-M354 WeakPolarHBondContact O-CG 3.25Å; T339-Y355 HydrophobicContact CG2-CD1 3.64Å; T339-Y355 HydrophobicContact CG2-CE1 3.84Å; T339-Y355 HydrophobicContact CG2-CG 4.18Å; T339-V358 HydrophobicContact CG2-CB 4.02Å; T339-V358 HydrophobicContact CG2-CG1 3.99Å; T339-V358 HydrophobicContact CG2-CG2 4.03Å; T339-I366 HydrophobicContact CG2-CB 4.22Å; T339-I366 HydrophobicContact CG2-CG2 4.03Å; T339-E367 PolarHBondContact OG1-N 3.39Å
340	Y	96.8	Very high	93.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.8	179.1	53.6	-87.9	0	0	0	114	N338 S350 S351 D369 I382 H384	N338-Y340 HydrophobicContact CB-CE1 3.99Å; N338-Y340 PolarHBondContact O-N 3.33Å; Y340-S350 CarbonylContact O-C 3.57Å; Y340-S350 WeakPolarHBondContact O-CA 3.44Å; Y340-S351 PolarHBondContact O-N 3.14Å; Y340-D369 HydrophobicContact CE1-CB 3.73Å; Y340-D369 VanDerWaalsContact CE1-CG 3.45Å; Y340-D369 WeakPolarHBondContact CE1-OD2 3.41Å; Y340-D369 PolarHBondContact OH-OD2 2.98Å; Y340-I382 HydrophobicContact CD1-CG2 3.61Å; Y340-I382 HydrophobicContact CD2-CG2 4.2Å; Y340-I382 HydrophobicContact CE1-CG2 4.28Å; Y340-I382 HydrophobicContact CG-CG2 3.58Å; Y340-H384 HydrophobicContact CE2-CB 3.9Å; Y340-H384 VanDerWaalsContact OH-CA 3.31Å; Y340-H384 WeakPolarHBondContact OH-CA 3.43Å; Y340-H384 VanDerWaalsContact OH-CB 3.32Å; Y340-H384 WeakPolarHBondContact OH-CB 3.49Å
341	L	95.3	Very high	93.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-82.4	134.4	-175.3	-66.6	177.8	0	0	0	113.1	N338 T339 M354 C389	N338-L341 HydrophobicContact CB-CD1 3.85Å; N338-L341 HydrophobicContact CB-CG 4.26Å; N338-L341 PolarHBondContact O-N 2.98Å; T339-L341 VanDerWaalsContact C-N 3.31Å; T339-L341 PolarHBondContact O-N 3.02Å; L341-M354 WeakPolarHBondContact O-CE 3.47Å; L341-C389 HydrophobicContact CD2-CB 4.29Å
342	I	93.6	Very high	93	Very high	50 Å²	50	24.4 Å²	24.4	26%	0.256	13%	0.13	S	C	.	.	S	Bend	trans	-104	8.2	174.1	66.5	164.3	0	0	0	114.1	V117 K349 M354	V117-I342 HydrophobicContact CG1-CB 4.1Å; I342-K349 HydrophobicContact CD1-CB 3.95Å; I342-K349 HydrophobicContact CG1-CB 3.85Å; I342-K349 WeakPolarHBondContact CG1-O 3.42Å; I342-K349 PolarHBondContact N-O 3.46Å; I342-M354 HydrophobicContact CG2-CB 3.95Å; I342-M354 HydrophobicContact CG2-CE 4.14Å; I342-M354 HydrophobicContact CG2-CG 4.19Å; I342-M354 HydrophobicContact CG2-SD 4.36Å
343	G	90.2	Very high	92.9	Very high	27 Å²	27	25 Å²	25	28%	0.278	13%	0.133	S	C	.	.	S	Bend	trans	-162.9	-135.4	-177.1	0	0	0	0	0	112.5	S666 Q687	G343-S666 WeakPolarHBondContact O-CB 3.4Å; G343-S666 PolarHBondContact O-OG 2.84Å; G343-Q687 PolarHBondContact O-NE2 2.82Å
344	R	86	Confident	92.8	Very high	142 Å²	142	25.1 Å²	25.1	54%	0.536	13%	0.133	S	C	.	.			trans	-62.4	150.4	-179.4	-61.5	-179.7	-178	-179.7	-0.3	112.2	F346 G348 E580	R344-F346 VanDerWaalsContact C-N 3.3Å; R344-F346 PolarHBondContact O-N 2.72Å; R344-G348 WeakPolarHBondContact O-CA 3.43Å; R344-G348 PolarHBondContact O-N 2.88Å; R344-E580 IonicContact NH1-OE1 3.88Å
345	Q	80.9	Confident	92.8	Very high	12 Å²	12	25 Å²	25	6%	0.056	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-30.7	175.4	-60	-65	-45.7	0	0	112.3	N338 H384 C389 R663 V664 S666 N685	N338-Q345 PolarHBondContact ND2-OE1 2.95Å; Q345-H384 PolarHBondContact O-ND1 2.87Å; Q345-C389 PolarHBondContact O-SG 2.88Å; Q345-R663 VanDerWaalsContact CG-O 3.29Å; Q345-R663 WeakPolarHBondContact CG-O 3.48Å; Q345-V664 PolarHBondContact N-O 2.88Å; Q345-S666 PolarHBondContact N-OG 3.23Å; Q345-S666 PolarHBondContact NE2-OG 3.3Å; Q345-N685 PolarHBondContact NE2-OD1 3.2Å
346	F	79.8	Confident	92.8	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.039	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	125.1	175.6	-160.4	-97	0	0	0	109.4	R344 G348 A387 M388 E580 M583 M584 Y587	R344-F346 VanDerWaalsContact C-N 3.3Å; R344-F346 PolarHBondContact O-N 2.72Å; F346-G348 PolarHBondContact O-N 3.21Å; F346-G348 VanDerWaalsContact O-N 3.12Å; F346-A387 HydrophobicContact CD2-CB 3.87Å; F346-A387 HydrophobicContact CE2-CB 4.26Å; F346-M388 HydrophobicContact CD1-CE 4.35Å; F346-M388 HydrophobicContact CE1-CE 3.34Å; F346-M388 HydrophobicContact CZ-CE 3.67Å; F346-M388 HydrophobicContact CZ-CG 4.35Å; F346-E580 HydrophobicContact CD1-CG 4.45Å; F346-M583 HydrophobicContact CE1-CB 3.98Å; F346-M583 HydrophobicContact CZ-CB 3.77Å; F346-M583 HydrophobicContact CZ-SD 4.48Å; F346-M584 HydrophobicContact CB-CE 3.64Å; F346-M584 HydrophobicContact CB-CG 4.09Å; F346-M584 HydrophobicContact CD1-CE 4.03Å; F346-M584 HydrophobicContact CD1-CG 3.8Å; F346-M584 HydrophobicContact CD2-CG 4.34Å; F346-M584 HydrophobicContact CE1-CG 4.31Å; F346-M584 HydrophobicContact CG-CE 4.16Å; F346-M584 HydrophobicContact CG-CG 3.82Å; F346-Y587 HydrophobicContact CD2-CD2 4.24Å; F346-Y587 HydrophobicContact CD2-CG 4.44Å; F346-Y587 AromaticContact CE2-CD2 3.88Å; F346-Y587 HydrophobicContact CE2-CD2 3.88Å; F346-Y587 HydrophobicContact CE2-CG 4.29Å
347	G	79.1	Confident	92.7	Very high	24 Å²	24	26.8 Å²	26.8	25%	0.247	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	10.6	178.1	0	0	0	0	0	117.5	A387 K570	G347-A387 PolarHBondContact N-O 3.03Å; G347-K570 PolarHBondContact O-NZ 3.5Å
348	G	84.4	Confident	92.7	Very high	10 Å²	10	26 Å²	26	10%	0.103	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-68.1	163.3	172.6	0	0	0	0	0	113	R344 F346 C389 T390	R344-G348 WeakPolarHBondContact O-CA 3.43Å; R344-G348 PolarHBondContact O-N 2.88Å; F346-G348 PolarHBondContact O-N 3.21Å; F346-G348 VanDerWaalsContact O-N 3.12Å; G348-C389 VanDerWaalsContact O-CA 3.24Å; G348-C389 WeakPolarHBondContact O-CA 3.37Å; G348-C389 WeakPolarHBondContact O-CB 3.43Å; G348-C389 PolarHBondContact O-SG 3.06Å; G348-T390 PolarHBondContact O-N 2.96Å
349	K	92.9	Very high	92.8	Very high	141 Å²	141	25.9 Å²	25.9	61%	0.613	14%	0.135	S	C	*	.	P	Polyproline II helix	trans	-82.5	138.8	172.3	-66.7	-178.4	-178.9	-179.3	0	109.9	I342 T390	I342-K349 HydrophobicContact CD1-CB 3.95Å; I342-K349 HydrophobicContact CG1-CB 3.85Å; I342-K349 WeakPolarHBondContact CG1-O 3.42Å; I342-K349 PolarHBondContact N-O 3.46Å; K349-T390 WeakPolarHBondContact CA-OG1 3.44Å; K349-T390 HydrophobicContact CG-CG2 4.3Å
350	S	95.3	Very high	92.7	Very high	10 Å²	10	26 Å²	26	7%	0.07	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-92.9	144.2	166.2	-50.9	0	0	0	0	109.7	Y340 T390	Y340-S350 CarbonylContact O-C 3.57Å; Y340-S350 WeakPolarHBondContact O-CA 3.44Å; S350-T390 WeakPolarHBondContact CB-O 3.5Å; S350-T390 PolarHBondContact N-OG1 3.05Å; S350-T390 PolarHBondContact OG-O 3.35Å
351	S	96.5	Very high	92.6	Very high	32 Å²	32	27.3 Å²	27.3	22%	0.224	15%	0.146	C	C	.	.			trans	-141.7	132.7	-177.3	-177.2	0	0	0	0	112.3	Y340 E353 M354	Y340-S351 PolarHBondContact O-N 3.14Å; S351-E353 VanDerWaalsContact C-N 3.27Å; S351-E353 PolarHBondContact O-N 2.83Å; S351-E353 WeakPolarHBondContact OG-CB 3.36Å; S351-E353 PolarHBondContact OG-N 3.37Å; S351-E353 VanDerWaalsContact OG-N 3.16Å; S351-M354 PolarHBondContact O-N 3.06Å
352	V	97.3	Very high	92.6	Very high	26 Å²	26	27.3 Å²	27.3	16%	0.158	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-34.9	169.5	179.5	0	0	0	0	110.8	M354 Y355 I392 D396 V397 A400	V352-M354 PolarHBondContact O-N 3.37Å; V352-Y355 PolarHBondContact O-N 3.07Å; V352-I392 HydrophobicContact CG2-CB 3.98Å; V352-I392 HydrophobicContact CG2-CD1 4.09Å; V352-I392 HydrophobicContact CG2-CG1 4.48Å; V352-I392 HydrophobicContact CG2-CG2 4.26Å; V352-D396 HydrophobicContact CG1-CB 4.28Å; V352-D396 WeakPolarHBondContact CG1-O 3.43Å; V352-D396 HydrophobicContact CG2-CB 3.95Å; V352-V397 HydrophobicContact CG1-CG2 4.42Å; V352-V397 HydrophobicContact CG2-CG2 4.03Å; V352-A400 HydrophobicContact CG1-CB 3.64Å
353	E	96.1	Very high	92.9	Very high	16 Å²	16	24.9 Å²	24.9	8%	0.075	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-30.5	-179.4	-171.9	58.9	-146.8	0	0	111.8	R82 I119 S351 Y355 R356 Q357	R82-E353 IonicContact CZ-OE2 3.1Å; R82-E353 IonicContact NH1-OE1 2.77Å; R82-E353 IonicContact NH1-OE2 3.1Å; R82-E353 PolarHBondContact NH1-OE2 2.63Å; R82-E353 IonicContact NH2-OE2 3.86Å; R82-E353 PolarHBondContact NH2-OE2 2.83Å; I119-E353 HydrophobicContact CG1-CG 4.5Å; S351-E353 VanDerWaalsContact C-N 3.27Å; S351-E353 PolarHBondContact O-N 2.83Å; S351-E353 WeakPolarHBondContact OG-CB 3.36Å; S351-E353 PolarHBondContact OG-N 3.37Å; S351-E353 VanDerWaalsContact OG-N 3.16Å; E353-Y355 VanDerWaalsContact C-N 3.27Å; E353-Y355 PolarHBondContact O-N 2.97Å; E353-R356 WeakPolarHBondContact O-CA 3.31Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.29Å; E353-R356 IonicContact OE2-NH1 2.76Å; E353-Q357 HydrophobicContact CG-CG 4.19Å; E353-Q357 WeakPolarHBondContact O-CG 2.81Å; E353-Q357 PolarHBondContact O-N 2.83Å; E353-Q357 PolarHBondContact OE1-NE2 2.97Å
354	M	97.2	Very high	93.3	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.02	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-36.2	-179.5	-167.8	56.3	131.4	0	0	112.4	L116 V117 T339 L341 I342 S351 V352 R356 Q357 V358 Q687	L116-M354 HydrophobicContact CB-SD 4.42Å; V117-M354 HydrophobicContact CG2-CE 3.68Å; T339-M354 WeakPolarHBondContact O-CB 3.43Å; T339-M354 WeakPolarHBondContact O-CG 3.25Å; L341-M354 WeakPolarHBondContact O-CE 3.47Å; I342-M354 HydrophobicContact CG2-CB 3.95Å; I342-M354 HydrophobicContact CG2-CE 4.14Å; I342-M354 HydrophobicContact CG2-CG 4.19Å; I342-M354 HydrophobicContact CG2-SD 4.36Å; S351-M354 PolarHBondContact O-N 3.06Å; V352-M354 PolarHBondContact O-N 3.37Å; M354-R356 VanDerWaalsContact C-N 3.32Å; M354-R356 PolarHBondContact O-N 2.88Å; M354-Q357 PolarHBondContact O-N 3.43Å; M354-V358 HydrophobicContact CG-CG2 4.22Å; M354-V358 WeakPolarHBondContact O-CB 3.26Å; M354-V358 VanDerWaalsContact O-CG2 3.23Å; M354-V358 WeakPolarHBondContact O-CG2 3.41Å; M354-V358 PolarHBondContact O-N 2.82Å; M354-V358 HydrophobicContact SD-CG2 4.16Å; M354-Q687 HydrophobicContact CE-CB 3.47Å; M354-Q687 VanDerWaalsContact CE-CB 3.47Å
355	Y	98.5	Very high	93.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.4	-41.6	173.1	-74.3	-84.9	0	0	0	112.5	T339 V352 E353 L359 I366 E367 L368 I392 V397 I401	T339-Y355 HydrophobicContact CG2-CD1 3.64Å; T339-Y355 HydrophobicContact CG2-CE1 3.84Å; T339-Y355 HydrophobicContact CG2-CG 4.18Å; V352-Y355 PolarHBondContact O-N 3.07Å; E353-Y355 VanDerWaalsContact C-N 3.27Å; E353-Y355 PolarHBondContact O-N 2.97Å; Y355-L359 WeakPolarHBondContact O-CB 3.28Å; Y355-L359 WeakPolarHBondContact O-CG 3.48Å; Y355-L359 PolarHBondContact O-N 2.81Å; Y355-L359 VanDerWaalsContact O-N 3.09Å; Y355-I366 HydrophobicContact CD1-CB 4.46Å; Y355-I366 HydrophobicContact CD1-CD1 3.93Å; Y355-I366 HydrophobicContact CE1-CD1 4.31Å; Y355-E367 WeakPolarHBondContact CE1-O 3.3Å; Y355-E367 PolarHBondContact OH-O 2.9Å; Y355-L368 HydrophobicContact CE1-CD1 4.47Å; Y355-L368 HydrophobicContact CE1-CG 3.97Å; Y355-I392 HydrophobicContact CE2-CD1 4.15Å; Y355-V397 HydrophobicContact CD1-CG1 3.96Å; Y355-V397 HydrophobicContact CD2-CB 4.33Å; Y355-V397 HydrophobicContact CD2-CG1 3.62Å; Y355-V397 HydrophobicContact CD2-CG2 3.85Å; Y355-V397 HydrophobicContact CE1-CG1 3.87Å; Y355-V397 HydrophobicContact CE2-CB 4.23Å; Y355-V397 HydrophobicContact CE2-CG1 3.5Å; Y355-V397 HydrophobicContact CE2-CG2 3.63Å; Y355-V397 HydrophobicContact CG-CG1 3.82Å; Y355-I401 HydrophobicContact CD1-CD1 4.37Å; Y355-I401 HydrophobicContact CD1-CG1 4.45Å
356	R	97.8	Very high	94.7	Very high	34 Å²	34	16.3 Å²	16.3	13%	0.128	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-54.5	176	-63.8	-169	173.8	84.5	4.1	109.8	E353 M354 V358 L359 L360 A400 T404	E353-R356 WeakPolarHBondContact O-CA 3.31Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.29Å; E353-R356 IonicContact OE2-NH1 2.76Å; M354-R356 VanDerWaalsContact C-N 3.32Å; M354-R356 PolarHBondContact O-N 2.88Å; R356-V358 VanDerWaalsContact C-N 3.32Å; R356-V358 PolarHBondContact O-N 3.1Å; R356-L359 PolarHBondContact O-N 2.79Å; R356-L360 HydrophobicContact CB-CD1 4.15Å; R356-L360 VanDerWaalsContact O-CB 3.27Å; R356-L360 WeakPolarHBondContact O-CB 3.21Å; R356-L360 VanDerWaalsContact O-CD1 3.29Å; R356-L360 WeakPolarHBondContact O-CD1 3.38Å; R356-L360 WeakPolarHBondContact O-CG 3.44Å; R356-L360 PolarHBondContact O-N 2.82Å; R356-A400 HydrophobicContact CG-CB 3.79Å; R356-A400 VanDerWaalsContact CZ-CB 3.4Å; R356-T404 HydrophobicContact CB-CG2 3.83Å; R356-T404 HydrophobicContact CG-CG2 3.72Å
357	Q	97	Very high	95.6	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-59.2	-42.4	-176.1	-61.2	-56	-46.1	0	0	112.1	S79 L116 I119 E353 M354 L360 A361	S79-Q357 PolarHBondContact OG-NE2 2.98Å; S79-Q357 PolarHBondContact OG-OE1 3.4Å; L116-Q357 HydrophobicContact CB-CB 4.24Å; L116-Q357 HydrophobicContact CD2-CB 4.26Å; I119-Q357 HydrophobicContact CD1-CG 3.91Å; I119-Q357 HydrophobicContact CG1-CG 4.01Å; E353-Q357 HydrophobicContact CG-CG 4.19Å; E353-Q357 WeakPolarHBondContact O-CG 2.81Å; E353-Q357 PolarHBondContact O-N 2.83Å; E353-Q357 PolarHBondContact OE1-NE2 2.97Å; M354-Q357 PolarHBondContact O-N 3.43Å; Q357-L360 PolarHBondContact O-N 2.87Å; Q357-A361 WeakPolarHBondContact O-CB 3.4Å; Q357-A361 PolarHBondContact O-N 3.03Å
358	V	97.7	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.2	-44.4	178.3	169.5	0	0	0	0	111.9	T339 M354 R356 A361 C363 I366 F686	T339-V358 HydrophobicContact CG2-CB 4.02Å; T339-V358 HydrophobicContact CG2-CG1 3.99Å; T339-V358 HydrophobicContact CG2-CG2 4.03Å; M354-V358 HydrophobicContact CG-CG2 4.22Å; M354-V358 WeakPolarHBondContact O-CB 3.26Å; M354-V358 VanDerWaalsContact O-CG2 3.23Å; M354-V358 WeakPolarHBondContact O-CG2 3.41Å; M354-V358 PolarHBondContact O-N 2.82Å; M354-V358 HydrophobicContact SD-CG2 4.16Å; R356-V358 VanDerWaalsContact C-N 3.32Å; R356-V358 PolarHBondContact O-N 3.1Å; V358-A361 PolarHBondContact O-N 3.22Å; V358-C363 HydrophobicContact CG1-CB 3.36Å; V358-C363 WeakPolarHBondContact O-CB 3.39Å; V358-C363 PolarHBondContact O-N 3.04Å; V358-C363 VanDerWaalsContact O-N 3.17Å; V358-I366 HydrophobicContact CG1-CG2 4.01Å; V358-F686 HydrophobicContact CB-CD1 4.24Å; V358-F686 HydrophobicContact CG1-CD1 3.95Å; V358-F686 HydrophobicContact CG1-CE1 4.06Å; V358-F686 HydrophobicContact CG1-CG 4.34Å; V358-F686 HydrophobicContact CG2-CB 3.77Å; V358-F686 HydrophobicContact CG2-CD1 3.76Å; V358-F686 HydrophobicContact CG2-CG 3.95Å
359	L	98.2	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67	-40.4	176.9	-72.4	169	0	0	0	112.2	Y355 R356 A361 G362 R364 I366 I401 T404 V413	Y355-L359 WeakPolarHBondContact O-CB 3.28Å; Y355-L359 WeakPolarHBondContact O-CG 3.48Å; Y355-L359 PolarHBondContact O-N 2.81Å; Y355-L359 VanDerWaalsContact O-N 3.09Å; R356-L359 PolarHBondContact O-N 2.79Å; L359-A361 VanDerWaalsContact C-N 3.26Å; L359-A361 PolarHBondContact O-N 2.81Å; L359-G362 PolarHBondContact O-N 2.9Å; L359-R364 PolarHBondContact O-NH2 2.97Å; L359-I366 HydrophobicContact CD1-CD1 4.34Å; L359-I366 HydrophobicContact CD2-CD1 4.43Å; L359-I366 HydrophobicContact CD2-CG2 4.08Å; L359-I366 HydrophobicContact CG-CG2 4.37Å; L359-I401 HydrophobicContact CD1-CB 4.35Å; L359-I401 HydrophobicContact CD1-CG1 4.13Å; L359-I401 HydrophobicContact CD1-CG2 4.3Å; L359-T404 WeakPolarHBondContact CD1-OG1 3.24Å; L359-V413 HydrophobicContact CD2-CG1 4.03Å; L359-V413 HydrophobicContact CD2-CG2 4.18Å
360	L	95.7	Very high	97.2	Very high	6 Å²	6	7.8 Å²	7.8	3%	0.031	5%	0.046	C	C	.	.	H	α-helix	trans	-66.9	-26.4	177	-69.9	163.8	0	0	0	112.6	S79 D80 R356 Q357 G362 T404 V407 A408	S79-L360 VanDerWaalsContact O-CD1 3.3Å; S79-L360 WeakPolarHBondContact O-CD1 3.31Å; D80-L360 HydrophobicContact CB-CD1 4Å; R356-L360 HydrophobicContact CB-CD1 4.15Å; R356-L360 VanDerWaalsContact O-CB 3.27Å; R356-L360 WeakPolarHBondContact O-CB 3.21Å; R356-L360 VanDerWaalsContact O-CD1 3.29Å; R356-L360 WeakPolarHBondContact O-CD1 3.38Å; R356-L360 WeakPolarHBondContact O-CG 3.44Å; R356-L360 PolarHBondContact O-N 2.82Å; Q357-L360 PolarHBondContact O-N 2.87Å; L360-G362 PolarHBondContact O-N 3.06Å; L360-T404 HydrophobicContact CD1-CG2 4.09Å; L360-T404 HydrophobicContact CD2-CG2 4.29Å; L360-T404 HydrophobicContact CG-CG2 4.17Å; L360-V407 HydrophobicContact CD2-CB 3.82Å; L360-V407 HydrophobicContact CD2-CG1 3.71Å; L360-V407 HydrophobicContact CD2-CG2 4.43Å; L360-A408 WeakPolarHBondContact O-CB 3.38Å
361	A	94.8	Very high	97.1	Very high	26 Å²	26	9.6 Å²	9.6	22%	0.215	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2.8	170.1	0	0	0	0	0	113.6	L116 Q357 V358 L359	L116-A361 HydrophobicContact CD1-CB 4.31Å; L116-A361 HydrophobicContact CD2-CB 4.07Å; Q357-A361 WeakPolarHBondContact O-CB 3.4Å; Q357-A361 PolarHBondContact O-N 3.03Å; V358-A361 PolarHBondContact O-N 3.22Å; L359-A361 VanDerWaalsContact C-N 3.26Å; L359-A361 PolarHBondContact O-N 2.81Å
362	G	96.3	Very high	96.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	8.9	178.2	0	0	0	0	0	114.6	L359 L360 G707	L359-G362 PolarHBondContact O-N 2.9Å; L360-G362 PolarHBondContact O-N 3.06Å; G362-G707 VanDerWaalsContact O-CA 3.3Å; G362-G707 WeakPolarHBondContact O-CA 3.5Å
363	C	98.5	Very high	96.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.			trans	-66	140.7	173.4	-172.1	0	0	0	0	110.9	N334 S336 V358 C365 F686	N334-C363 PolarHBondContact O-SG 2.88Å; S336-C363 PolarHBondContact N-SG 2.94Å; V358-C363 HydrophobicContact CG1-CB 3.36Å; V358-C363 WeakPolarHBondContact O-CB 3.39Å; V358-C363 PolarHBondContact O-N 3.04Å; V358-C363 VanDerWaalsContact O-N 3.17Å; C363-C365 PolarHBondContact SG-O 2.92Å; C363-F686 HydrophobicContact CB-CE1 3.87Å; C363-F686 HydrophobicContact CB-CZ 3.84Å
364	R	98.7	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.			trans	-122.5	-9.2	-173.9	-62.4	-67.1	89.4	178.5	0.5	113.7	I333 N334 L359 A405 S409 C411 V413 I414 C706 Y708	I333-R364 HydrophobicContact CG2-CB 3.83Å; N334-R364 PolarHBondContact O-N 3.39Å; L359-R364 PolarHBondContact O-NH2 2.97Å; R364-A405 VanDerWaalsContact CZ-O 3.23Å; R364-A405 PolarHBondContact NH1-O 3.29Å; R364-A405 PolarHBondContact NH2-O 3.36Å; R364-S409 PolarHBondContact NH1-O 3.19Å; R364-S409 VanDerWaalsContact NH1-O 3.09Å; R364-C411 PolarHBondContact NH1-O 3.46Å; R364-V413 CarbonylContact O-C 3.59Å; R364-V413 VanDerWaalsContact O-CA 3.28Å; R364-V413 WeakPolarHBondContact O-CA 3.39Å; R364-I414 PolarHBondContact O-N 3.44Å; R364-C706 WeakPolarHBondContact CD-O 3.39Å; R364-C706 WeakPolarHBondContact CG-O 3.24Å; R364-Y708 HydrophobicContact CB-CD2 4.43Å; R364-Y708 HydrophobicContact CB-CE2 3.68Å; R364-Y708 HydrophobicContact CG-CD2 3.87Å; R364-Y708 HydrophobicContact CG-CE2 3.48Å; R364-Y708 VanDerWaalsContact CG-CE2 3.48Å
365	C	98.8	Very high	94.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.5	168.7	178.6	0	0	0	0	109.7	N334 S335 S336 C363 I414 M681	N334-C365 PolarHBondContact O-N 3.21Å; S335-C365 WeakPolarHBondContact OG-CB 3.18Å; S336-C365 PolarHBondContact N-O 3.38Å; C363-C365 PolarHBondContact SG-O 2.92Å; C365-I414 WeakPolarHBondContact CA-O 3.3Å; C365-I414 HydrophobicContact CB-CB 4.32Å; C365-M681 HydrophobicContact CB-CG 4.3Å; C365-M681 HydrophobicContact CB-SD 4.43Å
366	I	98.8	Very high	93.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.3	-179	54.7	170.2	0	0	0	110.5	T339 Y355 V358 L359 L368 I401 V413 I414 M415 S416	T339-I366 HydrophobicContact CG2-CB 4.22Å; T339-I366 HydrophobicContact CG2-CG2 4.03Å; Y355-I366 HydrophobicContact CD1-CB 4.46Å; Y355-I366 HydrophobicContact CD1-CD1 3.93Å; Y355-I366 HydrophobicContact CE1-CD1 4.31Å; V358-I366 HydrophobicContact CG1-CG2 4.01Å; L359-I366 HydrophobicContact CD1-CD1 4.34Å; L359-I366 HydrophobicContact CD2-CD1 4.43Å; L359-I366 HydrophobicContact CD2-CG2 4.08Å; L359-I366 HydrophobicContact CG-CG2 4.37Å; I366-L368 HydrophobicContact CD1-CD1 4.43Å; I366-L368 HydrophobicContact CG1-CD1 4.28Å; I366-I401 HydrophobicContact CD1-CD1 3.52Å; I366-I401 HydrophobicContact CD1-CG1 3.73Å; I366-V413 HydrophobicContact CG1-CG1 4.4Å; I366-I414 PolarHBondContact N-O 3.14Å; I366-M415 HydrophobicContact CD1-CG 4.21Å; I366-M415 HydrophobicContact CG1-CG 4.25Å; I366-S416 WeakPolarHBondContact O-CB 3.08Å; I366-S416 PolarHBondContact O-N 3.08Å
367	E	98.3	Very high	93.1	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.9	-176.2	-178.9	156.3	-117.2	0	0	111.7	H337 N338 T339 Y355 D369 S416 R656	H337-E367 VanDerWaalsContact CA-OE2 3.28Å; H337-E367 WeakPolarHBondContact CA-OE2 3.36Å; H337-E367 IonicContact CD2-OE2 2.99Å; H337-E367 PolarHBondContact CD2-OE2 3.31Å; H337-E367 IonicContact CG-OE2 2.75Å; H337-E367 IonicContact NE2-OE2 2.78Å; N338-E367 PolarHBondContact N-OE2 2.78Å; N338-E367 PolarHBondContact OD1-OE2 3.34Å; T339-E367 PolarHBondContact OG1-N 3.39Å; Y355-E367 WeakPolarHBondContact CE1-O 3.3Å; Y355-E367 PolarHBondContact OH-O 2.9Å; E367-D369 WeakPolarHBondContact CG-OD1 3.45Å; E367-S416 WeakPolarHBondContact CA-O 3.49Å; E367-R656 IonicContact OE1-CZ 3.13Å; E367-R656 VanDerWaalsContact OE1-CZ 3.26Å; E367-R656 IonicContact OE1-NH1 2.64Å; E367-R656 PolarHBondContact OE1-NH1 3.12Å; E367-R656 IonicContact OE1-NH2 3.46Å; E367-R656 PolarHBondContact OE1-NH2 3.37Å; E367-R656 IonicContact OE2-CZ 3.97Å; E367-R656 IonicContact OE2-NH1 3.94Å; E367-R656 IonicContact OE2-NH2 3.71Å; E367-R656 PolarHBondContact OE2-NH2 3.01Å
368	L	97.8	Very high	92.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	105	-178.5	-59.7	89.9	0	0	0	110.1	Y355 I366 C370 I382 F394 V397 I398 I401 M415 S416 E418	Y355-L368 HydrophobicContact CE1-CD1 4.47Å; Y355-L368 HydrophobicContact CE1-CG 3.97Å; I366-L368 HydrophobicContact CD1-CD1 4.43Å; I366-L368 HydrophobicContact CG1-CD1 4.28Å; L368-C370 PolarHBondContact O-N 3.11Å; L368-C370 PolarHBondContact O-SG 2.86Å; L368-I382 HydrophobicContact CB-CD1 4.32Å; L368-I382 HydrophobicContact CD2-CD1 4.08Å; L368-I382 HydrophobicContact CG-CD1 4.46Å; L368-F394 HydrophobicContact CD2-CD2 4.43Å; L368-F394 HydrophobicContact CD2-CE2 3.88Å; L368-V397 HydrophobicContact CD2-CG1 3.93Å; L368-I398 HydrophobicContact CD2-CD1 4.15Å; L368-I401 HydrophobicContact CD2-CD1 4.11Å; L368-M415 HydrophobicContact CD1-CB 3.86Å; L368-M415 HydrophobicContact CD1-CE 3.91Å; L368-M415 HydrophobicContact CD1-CG 4.09Å; L368-M415 HydrophobicContact CD2-CE 3.55Å; L368-M415 HydrophobicContact CG-CE 4.43Å; L368-S416 PolarHBondContact N-O 2.83Å; L368-E418 PolarHBondContact O-N 3.04Å
369	D	95.7	Very high	92.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	95.8	178.6	-64.6	9.6	0	0	0	109.2	N338 Y340 E367 I382 T383 E418	N338-D369 PolarHBondContact OD1-OD2 3.26Å; Y340-D369 HydrophobicContact CE1-CB 3.73Å; Y340-D369 VanDerWaalsContact CE1-CG 3.45Å; Y340-D369 WeakPolarHBondContact CE1-OD2 3.41Å; Y340-D369 PolarHBondContact OH-OD2 2.98Å; E367-D369 WeakPolarHBondContact CG-OD1 3.45Å; D369-I382 VanDerWaalsContact O-CA 3.24Å; D369-I382 WeakPolarHBondContact O-CA 3.49Å; D369-T383 WeakPolarHBondContact CB-O 3.47Å; D369-T383 PolarHBondContact O-N 3.24Å; D369-E418 CarbonylContact C-O 3.55Å; D369-E418 WeakPolarHBondContact CA-O 3.45Å; D369-E418 HydrophobicContact CB-CB 4.44Å; D369-E418 WeakPolarHBondContact OD1-CB 3.38Å
370	C	95.9	Very high	92.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.5	-169.7	-55.8	0	0	0	0	110.5	L368 I381 E418 H420 L429	L368-C370 PolarHBondContact O-N 3.11Å; L368-C370 PolarHBondContact O-SG 2.86Å; C370-I381 WeakPolarHBondContact CA-O 3.49Å; C370-E418 PolarHBondContact N-O 3.41Å; C370-H420 WeakPolarHBondContact O-CA 3.18Å; C370-H420 WeakPolarHBondContact O-CB 3.44Å; C370-H420 PolarHBondContact O-N 2.78Å; C370-L429 HydrophobicContact CB-CD1 3.94Å; C370-L429 HydrophobicContact CB-CD2 4.44Å
371	W	93.4	Very high	92.2	Very high	48 Å²	48	42 Å²	42	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.7	179.2	-69.5	82.9	0	0	0	111.3	G373 I381 T383 G385 H420 C421	W371-G373 PolarHBondContact O-N 2.92Å; W371-I381 HydrophobicContact CB-CD1 4.32Å; W371-I381 HydrophobicContact CB-CG1 3.97Å; W371-I381 PolarHBondContact N-O 2.81Å; W371-I381 WeakPolarHBondContact O-CG1 3.46Å; W371-I381 PolarHBondContact O-N 2.87Å; W371-T383 HydrophobicContact CB-CG2 4.38Å; W371-T383 HydrophobicContact CG-CG2 4.05Å; W371-T383 PolarHBondContact NE1-O 3.05Å; W371-G385 VanDerWaalsContact CE2-CA 3.48Å; W371-H420 HydrophobicContact CD2-CB 3.64Å; W371-H420 AromaticContact CD2-CG 3.93Å; W371-H420 AromaticContact CE2-CD2 3.31Å; W371-H420 AromaticContact CE2-CG 3.57Å; W371-H420 AromaticContact CE2-NE2 3.91Å; W371-H420 HydrophobicContact CE3-CB 3.59Å; W371-H420 HydrophobicContact CG-CB 4.23Å; W371-H420 HydrophobicContact CH2-CB 3.95Å; W371-H420 AromaticContact CH2-CE1 3.96Å; W371-H420 AromaticContact CH2-CG 3.6Å; W371-H420 AromaticContact CH2-ND1 3.59Å; W371-H420 HydrophobicContact CZ2-CB 4Å; W371-H420 AromaticContact CZ2-CD2 3.31Å; W371-H420 WeakPolarHBondContact CZ2-CD2 3.31Å; W371-H420 AromaticContact CZ2-CE1 3.67Å; W371-H420 AromaticContact CZ2-CG 3.39Å; W371-H420 AromaticContact CZ2-ND1 3.65Å; W371-H420 AromaticContact CZ2-NE2 3.47Å; W371-H420 WeakPolarHBondContact CZ2-NE2 3.39Å; W371-H420 HydrophobicContact CZ3-CB 3.76Å; W371-H420 AromaticContact CZ3-CG 3.96Å; W371-H420 AromaticContact NE1-CD2 3.51Å; W371-C421 PolarHBondContact O-SG 3.1Å
372	D	91	Very high	92.3	Very high	56 Å²	56	40.8 Å²	40.8	30%	0.299	20%	0.196	S	C	.	.			trans	-63.1	125.4	173	-78.4	-32.2	0	0	0	111.1	C421 S422 Q425	D372-C421 VanDerWaalsContact OD1-CA 3.32Å; D372-C421 WeakPolarHBondContact OD1-CA 3.42Å; D372-S422 PolarHBondContact OD1-N 2.68Å; D372-S422 PolarHBondContact OD1-OG 2.76Å; D372-S422 VanDerWaalsContact OD2-CB 3.29Å; D372-S422 WeakPolarHBondContact OD2-CB 3.38Å; D372-S422 PolarHBondContact OD2-N 3.38Å; D372-S422 PolarHBondContact OD2-OG 2.6Å; D372-Q425 VanDerWaalsContact CA-OE1 3.29Å; D372-Q425 VanDerWaalsContact OD1-CB 3.29Å; D372-Q425 WeakPolarHBondContact OD1-CB 3.18Å; D372-Q425 WeakPolarHBondContact OD1-CG 3.46Å; D372-Q425 PolarHBondContact OD1-OE1 3.12Å
373	G	89.3	Confident	92.1	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	20%	0.199	C	C	.	.			trans	-73.6	144	169.9	0	0	0	0	0	111.7	W371 E379 Q425	W371-G373 PolarHBondContact O-N 2.92Å; G373-E379 WeakPolarHBondContact CA-O 3.48Å; G373-Q425 PolarHBondContact O-NE2 3.24Å; G373-Q425 VanDerWaalsContact O-NE2 3.13Å
374	R	81.5	Confident	91.5	Very high	249 Å²	249	42.2 Å²	42.2	94%	0.94	20%	0.203	S	C	*	.			trans	-96.1	-0.4	-177.5	-57.1	-174.5	-172	178.2	5.2	114.1
375	G	77.6	Confident	90.6	Very high	38 Å²	38	42.4 Å²	42.4	39%	0.392	21%	0.206	S	C	.	.	S	Bend	trans	-67.4	162.5	178.6	0	0	0	0	0	112.7	D377 Q378	G375-D377 PolarHBondContact O-N 2.88Å; G375-Q378 PolarHBondContact O-N 3.09Å
376	E	78.9	Confident	89.5	Confident	206 Å²	206	48.7 Å²	48.7	96%	0.963	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.5	174.1	-68.9	-176.2	169.5	0	0	112.3	Q378	E376-Q378 VanDerWaalsContact C-N 3.28Å; E376-Q378 PolarHBondContact O-N 3.42Å
377	D	80.2	Confident	88.5	Confident	98 Å²	98	48.7 Å²	48.7	52%	0.524	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.6	176.8	58.7	-4	0	0	0	113.6	G375 E379 K428	G375-D377 PolarHBondContact O-N 2.88Å; D377-E379 HydrophobicContact CB-CG 3.96Å; D377-E379 VanDerWaalsContact CG-CG 3.48Å; D377-E379 PolarHBondContact O-N 2.74Å; D377-E379 PolarHBondContact OD1-N 2.91Å; D377-E379 VanDerWaalsContact OD2-CG 3.27Å; D377-E379 WeakPolarHBondContact OD2-CG 3.36Å; D377-K428 PolarHBondContact O-NZ 3.43Å
378	Q	86	Confident	87.6	Confident	93 Å²	93	49.6 Å²	49.6	44%	0.435	24%	0.238	S	C	.	.			trans	50.2	44	-175.6	-57	-175.3	12.4	0	0	112	G375 E376 H424 K428	G375-Q378 PolarHBondContact O-N 3.09Å; E376-Q378 VanDerWaalsContact C-N 3.28Å; E376-Q378 PolarHBondContact O-N 3.42Å; Q378-H424 PolarHBondContact OE1-CD2 3.01Å; Q378-K428 PolarHBondContact O-NZ 3.23Å
379	E	93.8	Very high	87	Confident	31 Å²	31	50.2 Å²	50.2	15%	0.145	24%	0.242	C	C	.	.			trans	-80.6	127.6	178.6	-75.5	-60.3	121.8	0	0	111.7	G373 D377 L393 K428 Y432	G373-E379 WeakPolarHBondContact CA-O 3.48Å; D377-E379 HydrophobicContact CB-CG 3.96Å; D377-E379 VanDerWaalsContact CG-CG 3.48Å; D377-E379 PolarHBondContact O-N 2.74Å; D377-E379 PolarHBondContact OD1-N 2.91Å; D377-E379 VanDerWaalsContact OD2-CG 3.27Å; D377-E379 WeakPolarHBondContact OD2-CG 3.36Å; E379-L393 HydrophobicContact CB-CD2 4.14Å; E379-K428 IonicContact OE1-NZ 2.73Å; E379-K428 PolarHBondContact OE1-NZ 3.49Å; E379-Y432 PolarHBondContact OE1-OH 3.31Å; E379-Y432 VanDerWaalsContact OE1-OH 3.07Å; E379-Y432 VanDerWaalsContact OE2-CE2 3.28Å; E379-Y432 WeakPolarHBondContact OE2-CE2 3.31Å; E379-Y432 VanDerWaalsContact OE2-CZ 3.3Å; E379-Y432 PolarHBondContact OE2-OH 2.99Å
380	P	95.4	Very high	86.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.			trans	-64.4	142.7	179.5	23.6	-31	0	0	0	112.2	F394 Q425 K428 L429 Y432	P380-F394 HydrophobicContact CB-CB 4.16Å; P380-F394 HydrophobicContact CG-CB 4.15Å; P380-F394 VanDerWaalsContact O-CB 3.29Å; P380-F394 WeakPolarHBondContact O-CB 3.48Å; P380-F394 PolarHBondContact O-N 3.24Å; P380-Q425 VanDerWaalsContact CA-OE1 3.26Å; P380-Q425 HydrophobicContact CB-CB 4.48Å; P380-K428 HydrophobicContact CG-CB 4.25Å; P380-L429 HydrophobicContact CB-CD2 3.5Å; P380-L429 HydrophobicContact CB-CG 4.38Å; P380-L429 HydrophobicContact CG-CD2 3.66Å; P380-L429 HydrophobicContact CG-CG 4.5Å; P380-Y432 HydrophobicContact CG-CD2 4.47Å; P380-Y432 HydrophobicContact CG-CE2 4.26Å
381	I	95.9	Very high	86.6	Confident	22 Å²	22	57.9 Å²	57.9	11%	0.113	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	162.6	-176.6	58	166.1	0	0	0	111.5	C370 W371 T383 D391 I392 L393	C370-I381 WeakPolarHBondContact CA-O 3.49Å; W371-I381 HydrophobicContact CB-CD1 4.32Å; W371-I381 HydrophobicContact CB-CG1 3.97Å; W371-I381 PolarHBondContact N-O 2.81Å; W371-I381 WeakPolarHBondContact O-CG1 3.46Å; W371-I381 PolarHBondContact O-N 2.87Å; I381-T383 HydrophobicContact CD1-CG2 4.31Å; I381-D391 HydrophobicContact CB-CB 4.36Å; I381-D391 HydrophobicContact CD1-CB 3.95Å; I381-D391 HydrophobicContact CG2-CB 4.49Å; I381-I392 CarbonylContact C-O 3.45Å; I381-I392 VanDerWaalsContact CA-O 3.31Å; I381-I392 WeakPolarHBondContact CA-O 3.39Å; I381-L393 HydrophobicContact CG2-CD2 4.33Å
382	I	96.1	Very high	86.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.7	168.5	-67	162	0	0	0	109.3	Y340 L368 D369 I392 F394 V397	Y340-I382 HydrophobicContact CD1-CG2 3.61Å; Y340-I382 HydrophobicContact CD2-CG2 4.2Å; Y340-I382 HydrophobicContact CE1-CG2 4.28Å; Y340-I382 HydrophobicContact CG-CG2 3.58Å; L368-I382 HydrophobicContact CB-CD1 4.32Å; L368-I382 HydrophobicContact CD2-CD1 4.08Å; L368-I382 HydrophobicContact CG-CD1 4.46Å; D369-I382 VanDerWaalsContact O-CA 3.24Å; D369-I382 WeakPolarHBondContact O-CA 3.49Å; I382-I392 HydrophobicContact CB-CD1 4.39Å; I382-I392 HydrophobicContact CB-CG1 3.9Å; I382-I392 HydrophobicContact CG2-CD1 4.43Å; I382-I392 HydrophobicContact CG2-CG1 4.35Å; I382-I392 PolarHBondContact N-O 2.82Å; I382-I392 PolarHBondContact O-N 3.09Å; I382-I392 VanDerWaalsContact O-N 3.12Å; I382-F394 HydrophobicContact CD1-CB 4.4Å; I382-F394 HydrophobicContact CD1-CD2 3.8Å; I382-F394 HydrophobicContact CD1-CG 4.49Å; I382-F394 HydrophobicContact CG1-CB 4.42Å; I382-F394 HydrophobicContact CG1-CD2 4.06Å; I382-V397 HydrophobicContact CD1-CB 3.76Å; I382-V397 HydrophobicContact CD1-CG1 3.81Å; I382-V397 HydrophobicContact CD1-CG2 3.67Å
383	T	93	Very high	87	Confident	12 Å²	12	57 Å²	57	7%	0.074	28%	0.284	C	S	.	.			trans	-164.2	160.6	179.3	-164.3	0	0	0	0	110.6	D369 W371 I381 G385 T390 D391	D369-T383 WeakPolarHBondContact CB-O 3.47Å; D369-T383 PolarHBondContact O-N 3.24Å; W371-T383 HydrophobicContact CB-CG2 4.38Å; W371-T383 HydrophobicContact CG-CG2 4.05Å; W371-T383 PolarHBondContact NE1-O 3.05Å; I381-T383 HydrophobicContact CD1-CG2 4.31Å; T383-G385 PolarHBondContact O-N 3.49Å; T383-T390 PolarHBondContact OG1-O 3.42Å; T383-D391 WeakPolarHBondContact CB-OD1 3.47Å; T383-D391 WeakPolarHBondContact CG2-OD1 3.3Å; T383-D391 PolarHBondContact OG1-OD1 3.19Å
384	H	86.4	Confident	87.4	Confident	18 Å²	18	56.6 Å²	56.6	8%	0.083	28%	0.279	C	S	.	.			trans	-80.7	104.9	169.3	-169	-147.9	0	0	0	108.6	Y340 Q345 K386 A387 C389 Y587	Y340-H384 HydrophobicContact CE2-CB 3.9Å; Y340-H384 VanDerWaalsContact OH-CA 3.31Å; Y340-H384 WeakPolarHBondContact OH-CA 3.43Å; Y340-H384 VanDerWaalsContact OH-CB 3.32Å; Y340-H384 WeakPolarHBondContact OH-CB 3.49Å; Q345-H384 PolarHBondContact O-ND1 2.87Å; H384-K386 PolarHBondContact O-N 3.04Å; H384-A387 HydrophobicContact CB-CB 3.98Å; H384-A387 WeakPolarHBondContact ND1-CB 3.24Å; H384-A387 WeakPolarHBondContact O-CB 3.4Å; H384-A387 PolarHBondContact O-N 2.85Å; H384-A387 VanDerWaalsContact O-N 3.09Å; H384-C389 HydrophobicContact CB-CB 4.18Å; H384-Y587 PolarHBondContact CE1-OH 3.11Å; H384-Y587 PolarHBondContact NE2-OH 3.34Å
385	G	79.7	Confident	88.2	Confident	5 Å²	5	48.1 Å²	48.1	5%	0.052	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	130.3	-170.7	0	0	0	0	0	113.4	W371 T383 A387 Y587	W371-G385 VanDerWaalsContact CE2-CA 3.48Å; T383-G385 PolarHBondContact O-N 3.49Å; G385-A387 PolarHBondContact O-N 2.8Å; G385-Y587 VanDerWaalsContact O-CE2 3.23Å; G385-Y587 WeakPolarHBondContact O-CE2 3.15Å; G385-Y587 PolarHBondContact O-OH 3.13Å
386	K	75.5	Confident	89.1	Confident	131 Å²	131	49.6 Å²	49.6	57%	0.57	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	7.6	179.4	-56	178.6	-176.6	176.9	0	115.3	H384 M388 Y587 T590	H384-K386 PolarHBondContact O-N 3.04Å; K386-M388 VanDerWaalsContact C-N 3.34Å; K386-Y587 HydrophobicContact CB-CE2 4.11Å; K386-T590 HydrophobicContact CD-CG2 4.39Å
387	A	77.8	Confident	90	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	8.3	-178.4	0	0	0	0	0	113.3	F346 G347 H384 G385 C389 Y587	F346-A387 HydrophobicContact CD2-CB 3.87Å; F346-A387 HydrophobicContact CE2-CB 4.26Å; G347-A387 PolarHBondContact N-O 3.03Å; H384-A387 HydrophobicContact CB-CB 3.98Å; H384-A387 WeakPolarHBondContact ND1-CB 3.24Å; H384-A387 WeakPolarHBondContact O-CB 3.4Å; H384-A387 PolarHBondContact O-N 2.85Å; H384-A387 VanDerWaalsContact O-N 3.09Å; G385-A387 PolarHBondContact O-N 2.8Å; A387-C389 PolarHBondContact O-N 2.66Å; A387-Y587 HydrophobicContact CB-CD2 4.4Å; A387-Y587 HydrophobicContact CB-CE2 3.73Å
388	M	78.8	Confident	90.9	Very high	25 Å²	25	35.1 Å²	35.1	12%	0.123	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	29.2	-175.7	-53.7	-164.8	-69.8	0	0	114.4	F346 K386 Q567 K570 L575 M583	F346-M388 HydrophobicContact CD1-CE 4.35Å; F346-M388 HydrophobicContact CE1-CE 3.34Å; F346-M388 HydrophobicContact CZ-CE 3.67Å; F346-M388 HydrophobicContact CZ-CG 4.35Å; K386-M388 VanDerWaalsContact C-N 3.34Å; M388-Q567 HydrophobicContact CG-CG 3.82Å; M388-Q567 HydrophobicContact SD-CB 4.45Å; M388-Q567 HydrophobicContact SD-CG 3.65Å; M388-K570 HydrophobicContact CB-CD 3.89Å; M388-K570 HydrophobicContact CE-CB 4.49Å; M388-K570 HydrophobicContact CE-CD 3.38Å; M388-K570 HydrophobicContact CE-CG 4.49Å; M388-K570 HydrophobicContact CG-CD 4.41Å; M388-K570 PolarHBondContact O-NZ 3.35Å; M388-K570 HydrophobicContact SD-CB 4.05Å; M388-K570 HydrophobicContact SD-CD 3.51Å; M388-K570 VanDerWaalsContact SD-CD 3.51Å; M388-K570 HydrophobicContact SD-CG 4.41Å; M388-L575 HydrophobicContact CE-CD2 4.23Å; M388-M583 HydrophobicContact CE-CE 3Å; M388-M583 HydrophobicContact CE-SD 3.5Å; M388-M583 VanDerWaalsContact CE-SD 3.5Å; M388-M583 HydrophobicContact SD-CE 3.61Å; M388-M583 HydrophobicContact SD-SD 3.6Å; M388-M583 VanDerWaalsContact SD-SD 3.6Å
389	C	85.6	Confident	91.5	Very high	13 Å²	13	34.8 Å²	34.8	9%	0.088	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-70.9	160.7	169.7	-71	0	0	0	0	110.4	L341 Q345 G348 H384 A387	L341-C389 HydrophobicContact CD2-CB 4.29Å; Q345-C389 PolarHBondContact O-SG 2.88Å; G348-C389 VanDerWaalsContact O-CA 3.24Å; G348-C389 WeakPolarHBondContact O-CA 3.37Å; G348-C389 WeakPolarHBondContact O-CB 3.43Å; G348-C389 PolarHBondContact O-SG 3.06Å; H384-C389 HydrophobicContact CB-CB 4.18Å; A387-C389 PolarHBondContact O-N 2.66Å
390	T	91.4	Very high	91.6	Very high	67 Å²	67	33.3 Å²	33.3	41%	0.411	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-73.3	151.9	172.6	62.3	0	0	0	0	110.1	G348 K349 S350 T383	G348-T390 PolarHBondContact O-N 2.96Å; K349-T390 WeakPolarHBondContact CA-OG1 3.44Å; K349-T390 HydrophobicContact CG-CG2 4.3Å; S350-T390 WeakPolarHBondContact CB-O 3.5Å; S350-T390 PolarHBondContact N-OG1 3.05Å; S350-T390 PolarHBondContact OG-O 3.35Å; T383-T390 PolarHBondContact OG1-O 3.42Å
391	D	92	Very high	91.8	Very high	94 Å²	94	33.3 Å²	33.3	50%	0.503	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-95.8	145.1	-179.9	-55.1	-24.7	0	0	0	110.4	I381 T383	I381-D391 HydrophobicContact CB-CB 4.36Å; I381-D391 HydrophobicContact CD1-CB 3.95Å; I381-D391 HydrophobicContact CG2-CB 4.49Å; T383-D391 WeakPolarHBondContact CB-OD1 3.47Å; T383-D391 WeakPolarHBondContact CG2-OD1 3.3Å; T383-D391 PolarHBondContact OG1-OD1 3.19Å
392	I	95.8	Very high	91.9	Very high	20 Å²	20	36.5 Å²	36.5	10%	0.103	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.3	170.3	59.8	-179.9	0	0	0	109.6	V352 Y355 I381 I382 V397	V352-I392 HydrophobicContact CG2-CB 3.98Å; V352-I392 HydrophobicContact CG2-CD1 4.09Å; V352-I392 HydrophobicContact CG2-CG1 4.48Å; V352-I392 HydrophobicContact CG2-CG2 4.26Å; Y355-I392 HydrophobicContact CE2-CD1 4.15Å; I381-I392 CarbonylContact C-O 3.45Å; I381-I392 VanDerWaalsContact CA-O 3.31Å; I381-I392 WeakPolarHBondContact CA-O 3.39Å; I382-I392 HydrophobicContact CB-CD1 4.39Å; I382-I392 HydrophobicContact CB-CG1 3.9Å; I382-I392 HydrophobicContact CG2-CD1 4.43Å; I382-I392 HydrophobicContact CG2-CG1 4.35Å; I382-I392 PolarHBondContact N-O 2.82Å; I382-I392 PolarHBondContact O-N 3.09Å; I382-I392 VanDerWaalsContact O-N 3.12Å; I392-V397 HydrophobicContact CD1-CG2 3.6Å; I392-V397 HydrophobicContact CG1-CG2 4.15Å
393	L	96.5	Very high	91.8	Very high	67 Å²	67	39.5 Å²	39.5	35%	0.351	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.7	179.8	-64.7	176.4	0	0	0	110.8	E379 I381 K395 D396 V397	E379-L393 HydrophobicContact CB-CD2 4.14Å; I381-L393 HydrophobicContact CG2-CD2 4.33Å; L393-K395 PolarHBondContact O-N 2.95Å; L393-D396 HydrophobicContact CB-CB 4.33Å; L393-D396 PolarHBondContact O-N 3.01Å; L393-V397 PolarHBondContact O-N 3.44Å
394	F	97.7	Very high	92	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-41.2	175.1	177.1	-90.8	0	0	0	111.3	L368 P380 I382 D396 V397 I398 F417 L429 Y432	L368-F394 HydrophobicContact CD2-CD2 4.43Å; L368-F394 HydrophobicContact CD2-CE2 3.88Å; P380-F394 HydrophobicContact CB-CB 4.16Å; P380-F394 HydrophobicContact CG-CB 4.15Å; P380-F394 VanDerWaalsContact O-CB 3.29Å; P380-F394 WeakPolarHBondContact O-CB 3.48Å; P380-F394 PolarHBondContact O-N 3.24Å; I382-F394 HydrophobicContact CD1-CB 4.4Å; I382-F394 HydrophobicContact CD1-CD2 3.8Å; I382-F394 HydrophobicContact CD1-CG 4.49Å; I382-F394 HydrophobicContact CG1-CB 4.42Å; I382-F394 HydrophobicContact CG1-CD2 4.06Å; F394-D396 VanDerWaalsContact C-N 3.32Å; F394-D396 PolarHBondContact O-N 2.8Å; F394-V397 WeakPolarHBondContact O-CB 3.5Å; F394-V397 PolarHBondContact O-N 2.87Å; F394-V397 VanDerWaalsContact O-N 3.12Å; F394-I398 HydrophobicContact CD1-CD1 4.49Å; F394-I398 HydrophobicContact CD1-CG1 3.81Å; F394-I398 HydrophobicContact CE1-CD1 3.8Å; F394-I398 HydrophobicContact CE1-CG1 3.34Å; F394-I398 HydrophobicContact CE2-CD1 4.04Å; F394-I398 HydrophobicContact CE2-CG1 4.38Å; F394-I398 HydrophobicContact CZ-CD1 3.54Å; F394-I398 HydrophobicContact CZ-CG1 3.68Å; F394-I398 WeakPolarHBondContact O-CG1 3.37Å; F394-I398 PolarHBondContact O-N 3.11Å; F394-F417 AromaticContact CE2-CE1 3.58Å; F394-F417 HydrophobicContact CE2-CE1 3.58Å; F394-F417 AromaticContact CE2-CZ 3.98Å; F394-F417 HydrophobicContact CE2-CZ 3.98Å; F394-F417 AromaticContact CZ-CE1 3.64Å; F394-F417 HydrophobicContact CZ-CE1 3.64Å; F394-F417 AromaticContact CZ-CZ 3.81Å; F394-F417 HydrophobicContact CZ-CZ 3.81Å; F394-L429 HydrophobicContact CB-CD2 4.16Å; F394-L429 HydrophobicContact CD1-CD2 3.53Å; F394-L429 HydrophobicContact CD2-CD2 3.56Å; F394-L429 HydrophobicContact CE1-CB 4.18Å; F394-L429 HydrophobicContact CE1-CD2 3.68Å; F394-L429 HydrophobicContact CE2-CD2 3.73Å; F394-L429 HydrophobicContact CG-CD2 3.46Å; F394-L429 VanDerWaalsContact CG-CD2 3.46Å; F394-L429 HydrophobicContact CZ-CB 4.2Å; F394-L429 HydrophobicContact CZ-CD2 3.77Å; F394-Y432 HydrophobicContact CD1-CD2 4.05Å
395	K	97.2	Very high	92.5	Very high	70 Å²	70	38 Å²	38	30%	0.304	19%	0.185	S	C	.	.	H	α-helix	trans	-55.9	-44.1	179.1	-169.5	-179.9	-169.4	166	0	112.7	L393 V397 I398 Y399 Y432 I436	L393-K395 PolarHBondContact O-N 2.95Å; K395-V397 VanDerWaalsContact C-N 3.32Å; K395-V397 PolarHBondContact O-N 2.85Å; K395-I398 PolarHBondContact O-N 2.96Å; K395-Y399 HydrophobicContact CD-CE2 4.43Å; K395-Y399 HydrophobicContact CG-CD2 4.26Å; K395-Y399 HydrophobicContact CG-CE2 3.93Å; K395-Y399 VanDerWaalsContact O-CD2 3.3Å; K395-Y399 WeakPolarHBondContact O-CD2 3.23Å; K395-Y399 PolarHBondContact O-N 2.9Å; K395-Y399 VanDerWaalsContact O-N 3.11Å; K395-Y432 HydrophobicContact CB-CD2 4.07Å; K395-Y432 HydrophobicContact CB-CE2 3.94Å; K395-Y432 HydrophobicContact CD-CD1 4.4Å; K395-Y432 HydrophobicContact CD-CE1 3.86Å; K395-Y432 HydrophobicContact CD-CE2 4.23Å; K395-Y432 HydrophobicContact CG-CD1 4.23Å; K395-Y432 HydrophobicContact CG-CD2 4.32Å; K395-Y432 HydrophobicContact CG-CE1 4.16Å; K395-Y432 HydrophobicContact CG-CE2 4.21Å; K395-Y432 HydrophobicContact CG-CG 4.31Å; K395-I436 HydrophobicContact CG-CD1 4.03Å
396	D	97.3	Very high	93.3	Very high	70 Å²	70	38.7 Å²	38.7	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-68.4	-34.6	179.9	-67.4	-15.6	0	0	0	111.7	V352 L393 F394 Y399 A400	V352-D396 HydrophobicContact CG1-CB 4.28Å; V352-D396 WeakPolarHBondContact CG1-O 3.43Å; V352-D396 HydrophobicContact CG2-CB 3.95Å; L393-D396 HydrophobicContact CB-CB 4.33Å; L393-D396 PolarHBondContact O-N 3.01Å; F394-D396 VanDerWaalsContact C-N 3.32Å; F394-D396 PolarHBondContact O-N 2.8Å; D396-Y399 PolarHBondContact O-N 3.3Å; D396-A400 WeakPolarHBondContact O-CB 3.17Å; D396-A400 PolarHBondContact O-N 3.05Å
397	V	98.4	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-42.7	172.7	171.7	0	0	0	0	111.3	V352 Y355 L368 I382 I392 L393 F394 K395 Y399 A400 I401	V352-V397 HydrophobicContact CG1-CG2 4.42Å; V352-V397 HydrophobicContact CG2-CG2 4.03Å; Y355-V397 HydrophobicContact CD1-CG1 3.96Å; Y355-V397 HydrophobicContact CD2-CB 4.33Å; Y355-V397 HydrophobicContact CD2-CG1 3.62Å; Y355-V397 HydrophobicContact CD2-CG2 3.85Å; Y355-V397 HydrophobicContact CE1-CG1 3.87Å; Y355-V397 HydrophobicContact CE2-CB 4.23Å; Y355-V397 HydrophobicContact CE2-CG1 3.5Å; Y355-V397 HydrophobicContact CE2-CG2 3.63Å; Y355-V397 HydrophobicContact CG-CG1 3.82Å; L368-V397 HydrophobicContact CD2-CG1 3.93Å; I382-V397 HydrophobicContact CD1-CB 3.76Å; I382-V397 HydrophobicContact CD1-CG1 3.81Å; I382-V397 HydrophobicContact CD1-CG2 3.67Å; I392-V397 HydrophobicContact CD1-CG2 3.6Å; I392-V397 HydrophobicContact CG1-CG2 4.15Å; L393-V397 PolarHBondContact O-N 3.44Å; F394-V397 WeakPolarHBondContact O-CB 3.5Å; F394-V397 PolarHBondContact O-N 2.87Å; F394-V397 VanDerWaalsContact O-N 3.12Å; K395-V397 VanDerWaalsContact C-N 3.32Å; K395-V397 PolarHBondContact O-N 2.85Å; V397-Y399 VanDerWaalsContact C-N 3.35Å; V397-Y399 PolarHBondContact O-N 2.86Å; V397-A400 WeakPolarHBondContact O-CB 3.36Å; V397-A400 PolarHBondContact O-N 3.32Å; V397-A400 VanDerWaalsContact O-N 3.16Å; V397-I401 HydrophobicContact CG1-CD1 3.8Å; V397-I401 HydrophobicContact CG1-CG1 4.39Å; V397-I401 VanDerWaalsContact O-CG1 3.31Å; V397-I401 WeakPolarHBondContact O-CG1 3.33Å; V397-I401 PolarHBondContact O-N 3.15Å
398	I	98.6	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-38.6	177.3	-59	-47.6	0	0	0	111.8	L368 F394 K395 A400 I401 R402 M415 I436 L437	L368-I398 HydrophobicContact CD2-CD1 4.15Å; F394-I398 HydrophobicContact CD1-CD1 4.49Å; F394-I398 HydrophobicContact CD1-CG1 3.81Å; F394-I398 HydrophobicContact CE1-CD1 3.8Å; F394-I398 HydrophobicContact CE1-CG1 3.34Å; F394-I398 HydrophobicContact CE2-CD1 4.04Å; F394-I398 HydrophobicContact CE2-CG1 4.38Å; F394-I398 HydrophobicContact CZ-CD1 3.54Å; F394-I398 HydrophobicContact CZ-CG1 3.68Å; F394-I398 WeakPolarHBondContact O-CG1 3.37Å; F394-I398 PolarHBondContact O-N 3.11Å; K395-I398 PolarHBondContact O-N 2.96Å; I398-A400 VanDerWaalsContact C-N 3.34Å; I398-A400 PolarHBondContact O-N 3.47Å; I398-I401 HydrophobicContact CD1-CD1 4.11Å; I398-I401 PolarHBondContact O-N 3.27Å; I398-R402 PolarHBondContact O-N 3.48Å; I398-M415 HydrophobicContact CD1-CE 3.37Å; I398-I436 HydrophobicContact CB-CD1 4.22Å; I398-I436 HydrophobicContact CG2-CB 3.71Å; I398-I436 HydrophobicContact CG2-CD1 4.08Å; I398-I436 HydrophobicContact CG2-CG1 4.47Å; I398-I436 HydrophobicContact CG2-CG2 3.77Å; I398-L437 HydrophobicContact CG2-CD1 4.37Å; I398-L437 HydrophobicContact CG2-CD2 3.78Å; I398-L437 HydrophobicContact CG2-CG 3.81Å
399	Y	97.8	Very high	95.6	Very high	86 Å²	86	35.4 Å²	35.4	34%	0.337	18%	0.181	S	C	.	.	H	α-helix	trans	-60.6	-43.4	171.3	-79.6	-59.2	0	0	0	112.2	K395 D396 V397 I401 R402 D403 I436	K395-Y399 HydrophobicContact CD-CE2 4.43Å; K395-Y399 HydrophobicContact CG-CD2 4.26Å; K395-Y399 HydrophobicContact CG-CE2 3.93Å; K395-Y399 VanDerWaalsContact O-CD2 3.3Å; K395-Y399 WeakPolarHBondContact O-CD2 3.23Å; K395-Y399 PolarHBondContact O-N 2.9Å; K395-Y399 VanDerWaalsContact O-N 3.11Å; D396-Y399 PolarHBondContact O-N 3.3Å; V397-Y399 VanDerWaalsContact C-N 3.35Å; V397-Y399 PolarHBondContact O-N 2.86Å; Y399-I401 VanDerWaalsContact C-N 3.33Å; Y399-I401 PolarHBondContact O-N 3.01Å; Y399-R402 PolarHBondContact O-N 3.46Å; Y399-D403 PolarHBondContact O-N 3.02Å; Y399-D403 VanDerWaalsContact O-N 3.13Å; Y399-I436 HydrophobicContact CD1-CD1 4.37Å; Y399-I436 HydrophobicContact CD1-CG2 3.47Å; Y399-I436 VanDerWaalsContact CD1-CG2 3.47Å; Y399-I436 HydrophobicContact CD2-CD1 4.12Å; Y399-I436 HydrophobicContact CE1-CB 4.43Å; Y399-I436 HydrophobicContact CE1-CD1 4.08Å; Y399-I436 HydrophobicContact CE1-CG1 3.99Å; Y399-I436 HydrophobicContact CE1-CG2 3.65Å; Y399-I436 HydrophobicContact CE2-CD1 3.82Å; Y399-I436 HydrophobicContact CG-CD1 4.39Å; Y399-I436 HydrophobicContact CG-CG2 4.13Å
400	A	97.5	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-42.6	176.2	0	0	0	0	0	112.7	V352 R356 D396 V397 I398 D403 T404	V352-A400 HydrophobicContact CG1-CB 3.64Å; R356-A400 HydrophobicContact CG-CB 3.79Å; R356-A400 VanDerWaalsContact CZ-CB 3.4Å; D396-A400 WeakPolarHBondContact O-CB 3.17Å; D396-A400 PolarHBondContact O-N 3.05Å; V397-A400 WeakPolarHBondContact O-CB 3.36Å; V397-A400 PolarHBondContact O-N 3.32Å; V397-A400 VanDerWaalsContact O-N 3.16Å; I398-A400 VanDerWaalsContact C-N 3.34Å; I398-A400 PolarHBondContact O-N 3.47Å; A400-D403 PolarHBondContact O-N 3.45Å; A400-T404 PolarHBondContact O-N 3Å; A400-T404 PolarHBondContact O-OG1 2.98Å
401	I	98.5	Very high	96.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-48.8	177.2	-67.4	165.6	0	0	0	110.5	Y355 L359 I366 L368 V397 I398 Y399 D403 T404 A405 M415 L437 I467	Y355-I401 HydrophobicContact CD1-CD1 4.37Å; Y355-I401 HydrophobicContact CD1-CG1 4.45Å; L359-I401 HydrophobicContact CD1-CB 4.35Å; L359-I401 HydrophobicContact CD1-CG1 4.13Å; L359-I401 HydrophobicContact CD1-CG2 4.3Å; I366-I401 HydrophobicContact CD1-CD1 3.52Å; I366-I401 HydrophobicContact CD1-CG1 3.73Å; L368-I401 HydrophobicContact CD2-CD1 4.11Å; V397-I401 HydrophobicContact CG1-CD1 3.8Å; V397-I401 HydrophobicContact CG1-CG1 4.39Å; V397-I401 VanDerWaalsContact O-CG1 3.31Å; V397-I401 WeakPolarHBondContact O-CG1 3.33Å; V397-I401 PolarHBondContact O-N 3.15Å; I398-I401 HydrophobicContact CD1-CD1 4.11Å; I398-I401 PolarHBondContact O-N 3.27Å; Y399-I401 VanDerWaalsContact C-N 3.33Å; Y399-I401 PolarHBondContact O-N 3.01Å; I401-D403 PolarHBondContact O-N 3.3Å; I401-T404 PolarHBondContact O-N 2.91Å; I401-T404 VanDerWaalsContact O-N 3.16Å; I401-A405 HydrophobicContact CG2-CB 4.26Å; I401-A405 WeakPolarHBondContact O-CB 3.27Å; I401-A405 PolarHBondContact O-N 3.36Å; I401-M415 HydrophobicContact CD1-CE 3.88Å; I401-M415 HydrophobicContact CD1-SD 4.29Å; I401-L437 HydrophobicContact CG2-CD2 4.34Å; I401-I467 HydrophobicContact CG2-CD1 4.04Å
402	R	97.5	Very high	96.8	Very high	89 Å²	89	31 Å²	31	34%	0.336	15%	0.154	S	C	.	.	H	α-helix	trans	-50.7	-44.8	176.7	-177	-160.6	65.9	-168.4	-5.7	111.8	I398 Y399 I436 L437 M440	I398-R402 PolarHBondContact O-N 3.48Å; Y399-R402 PolarHBondContact O-N 3.46Å; R402-I436 HydrophobicContact CB-CG2 4.18Å; R402-I436 WeakPolarHBondContact CD-O 3.15Å; R402-L437 HydrophobicContact CB-CD2 4.03Å; R402-M440 HydrophobicContact CG-CE 4.26Å; R402-M440 HydrophobicContact CG-SD 4.42Å
403	D	94.6	Very high	96.9	Very high	62 Å²	62	30 Å²	30	33%	0.332	15%	0.15	S	C	.	.	H	α-helix	trans	-75.5	-23.5	-173.2	-64.6	-14.9	0	0	0	113.4	Y399 A400 I401 V407	Y399-D403 PolarHBondContact O-N 3.02Å; Y399-D403 VanDerWaalsContact O-N 3.13Å; A400-D403 PolarHBondContact O-N 3.45Å; I401-D403 PolarHBondContact O-N 3.3Å; D403-V407 WeakPolarHBondContact O-CG2 3.26Å
404	T	96.4	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-123.5	-16.4	-169.1	58.4	0	0	0	0	115.3	R356 L359 L360 A400 I401 F406 V407	R356-T404 HydrophobicContact CB-CG2 3.83Å; R356-T404 HydrophobicContact CG-CG2 3.72Å; L359-T404 WeakPolarHBondContact CD1-OG1 3.24Å; L360-T404 HydrophobicContact CD1-CG2 4.09Å; L360-T404 HydrophobicContact CD2-CG2 4.29Å; L360-T404 HydrophobicContact CG-CG2 4.17Å; A400-T404 PolarHBondContact O-N 3Å; A400-T404 PolarHBondContact O-OG1 2.98Å; I401-T404 PolarHBondContact O-N 2.91Å; I401-T404 VanDerWaalsContact O-N 3.16Å; T404-F406 PolarHBondContact O-N 3.49Å; T404-V407 PolarHBondContact O-N 3.2Å
405	A	97.6	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-41.5	-174.9	0	0	0	0	0	112.5	R364 I401 V413 I467	R364-A405 VanDerWaalsContact CZ-O 3.23Å; R364-A405 PolarHBondContact NH1-O 3.29Å; R364-A405 PolarHBondContact NH2-O 3.36Å; I401-A405 HydrophobicContact CG2-CB 4.26Å; I401-A405 WeakPolarHBondContact O-CB 3.27Å; I401-A405 PolarHBondContact O-N 3.36Å; A405-V413 HydrophobicContact CB-CG2 4.22Å; A405-I467 HydrophobicContact CB-CD1 4.25Å
406	F	96.4	Very high	97.1	Very high	18 Å²	18	23.5 Å²	23.5	8%	0.079	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	29	-174.3	-48.9	-66.4	0	0	0	114.5	T404 S409 V413 M440 R465 I467	T404-F406 PolarHBondContact O-N 3.49Å; F406-S409 VanDerWaalsContact CA-O 3.26Å; F406-S409 WeakPolarHBondContact CA-O 3.41Å; F406-V413 HydrophobicContact CE1-CG2 4Å; F406-V413 HydrophobicContact CZ-CG2 4.47Å; F406-M440 HydrophobicContact CD2-SD 3.97Å; F406-M440 HydrophobicContact CE2-CB 4.07Å; F406-M440 HydrophobicContact CE2-CG 4.01Å; F406-M440 HydrophobicContact CE2-SD 3.8Å; F406-R465 VanDerWaalsContact CB-NH1 3.32Å; F406-R465 HydrophobicContact CD1-CB 4.42Å; F406-R465 HydrophobicContact CD1-CG 4.44Å; F406-R465 HydrophobicContact CD2-CB 4.3Å; F406-R465 VanDerWaalsContact CE1-CA 3.46Å; F406-R465 HydrophobicContact CE2-CB 4.39Å; F406-R465 HydrophobicContact CG-CB 4.31Å; F406-R465 HydrophobicContact CG-CG 4.3Å; F406-R465 HydrophobicContact CZ-CB 4.5Å; F406-I467 HydrophobicContact CE2-CD1 4.19Å; F406-I467 HydrophobicContact CE2-CG1 3.96Å; F406-I467 HydrophobicContact CZ-CD1 4.31Å; F406-I467 HydrophobicContact CZ-CG1 3.62Å
407	V	92.8	Very high	97	Very high	56 Å²	56	20.6 Å²	20.6	34%	0.339	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-51.9	175.6	174.3	0	0	0	0	110.9	L360 D403 T404	L360-V407 HydrophobicContact CD2-CB 3.82Å; L360-V407 HydrophobicContact CD2-CG1 3.71Å; L360-V407 HydrophobicContact CD2-CG2 4.43Å; D403-V407 WeakPolarHBondContact O-CG2 3.26Å; T404-V407 PolarHBondContact O-N 3.2Å
408	A	92.1	Very high	96.7	Very high	21 Å²	21	21.8 Å²	21.8	17%	0.174	11%	0.108	C	C	.	.	S	Bend	trans	-85.5	-23	-178.7	0	0	0	0	0	113.6	L360	L360-A408 WeakPolarHBondContact O-CB 3.38Å
409	S	95.7	Very high	96.4	Very high	10 Å²	10	22 Å²	22	7%	0.07	11%	0.109	C	C	.	.			trans	-154.5	136.3	-175.5	173.9	0	0	0	0	111.3	R364 F406 C411 C706	R364-S409 PolarHBondContact NH1-O 3.19Å; R364-S409 VanDerWaalsContact NH1-O 3.09Å; F406-S409 VanDerWaalsContact CA-O 3.26Å; F406-S409 WeakPolarHBondContact CA-O 3.41Å; S409-C411 VanDerWaalsContact C-N 3.29Å; S409-C411 WeakPolarHBondContact OG-CB 3.35Å; S409-C411 PolarHBondContact OG-N 3.01Å; S409-C411 VanDerWaalsContact OG-N 3.12Å; S409-C706 WeakPolarHBondContact CB-O 3.17Å; S409-C706 WeakPolarHBondContact OG-CA 3.38Å; S409-C706 PolarHBondContact OG-O 3.47Å
410	D	96.8	Very high	96	Very high	77 Å²	77	19 Å²	19	41%	0.412	10%	0.098	S	C	.	.			trans	-81.1	-6.2	172.1	-75.5	-46.6	0	0	0	113.4	K464 R465	D410-K464 CarbonylContact O-C 3.53Å; D410-K464 WeakPolarHBondContact O-CA 2.91Å; D410-R465 HydrophobicContact CB-CG 4.21Å; D410-R465 PolarHBondContact O-N 2.96Å; D410-R465 WeakPolarHBondContact OD1-CG 3.38Å; D410-R465 IonicContact OD1-CZ 2.95Å; D410-R465 IonicContact OD1-NH1 3.67Å; D410-R465 PolarHBondContact OD1-NH1 2.76Å
411	C	98.1	Very high	95.7	Very high	5 Å²	5	19 Å²	19	3%	0.034	10%	0.098	C	C	.	.	S	Bend	trans	-68.2	152.9	-178.8	-67.9	0	0	0	0	111.9	R364 S409 Y708	R364-C411 PolarHBondContact NH1-O 3.46Å; S409-C411 VanDerWaalsContact C-N 3.29Å; S409-C411 WeakPolarHBondContact OG-CB 3.35Å; S409-C411 PolarHBondContact OG-N 3.01Å; S409-C411 VanDerWaalsContact OG-N 3.12Å; C411-Y708 HydrophobicContact CB-CD2 3.46Å; C411-Y708 VanDerWaalsContact CB-CD2 3.46Å; C411-Y708 HydrophobicContact CB-CE2 3.53Å
412	P	98.5	Very high	95.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.			trans	-58.7	146.3	-175	20	-31.8	0	0	0	113.6	P460 L463 K466 L468 Y708	P412-P460 HydrophobicContact CG-CB 4.38Å; P412-L463 HydrophobicContact CB-CB 3.85Å; P412-L463 WeakPolarHBondContact CB-O 3.39Å; P412-L463 HydrophobicContact CG-CB 3.75Å; P412-L463 HydrophobicContact CG-CD1 4.46Å; P412-K466 VanDerWaalsContact CA-O 3.24Å; P412-K466 WeakPolarHBondContact CA-O 3.44Å; P412-L468 HydrophobicContact CB-CD1 3.92Å; P412-Y708 HydrophobicContact CG-CE2 4.28Å; P412-Y708 WeakPolarHBondContact O-CE2 3.43Å; P412-Y708 PolarHBondContact O-OH 3.44Å
413	V	98.8	Very high	94.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.8	175	175.9	0	0	0	0	109.8	L359 R364 I366 A405 F406 K466 I467 L468	L359-V413 HydrophobicContact CD2-CG1 4.03Å; L359-V413 HydrophobicContact CD2-CG2 4.18Å; R364-V413 CarbonylContact O-C 3.59Å; R364-V413 VanDerWaalsContact O-CA 3.28Å; R364-V413 WeakPolarHBondContact O-CA 3.39Å; I366-V413 HydrophobicContact CG1-CG1 4.4Å; A405-V413 HydrophobicContact CB-CG2 4.22Å; F406-V413 HydrophobicContact CE1-CG2 4Å; F406-V413 HydrophobicContact CZ-CG2 4.47Å; V413-K466 PolarHBondContact N-O 3.04Å; V413-I467 HydrophobicContact CB-CG1 4.4Å; V413-I467 CarbonylContact O-C 3.42Å; V413-I467 VanDerWaalsContact O-CA 3.28Å; V413-I467 WeakPolarHBondContact O-CA 3.02Å; V413-L468 PolarHBondContact O-N 3.39Å
414	I	98.8	Very high	94.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.1	175	-56.3	172.7	0	0	0	108.3	I333 R364 C365 I366 L468 K470 A607 M681	I333-I414 HydrophobicContact CD1-CD1 4.26Å; R364-I414 PolarHBondContact O-N 3.44Å; C365-I414 WeakPolarHBondContact CA-O 3.3Å; C365-I414 HydrophobicContact CB-CB 4.32Å; I366-I414 PolarHBondContact N-O 3.14Å; I414-L468 WeakPolarHBondContact CA-O 3.45Å; I414-L468 HydrophobicContact CG1-CB 4.45Å; I414-K470 HydrophobicContact CG2-CB 4.16Å; I414-A607 HydrophobicContact CG2-CB 4.35Å; I414-M681 HydrophobicContact CD1-SD 3.85Å
415	M	98.5	Very high	94.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.5	170.9	-71.1	173.7	67.4	0	0	109.2	I366 L368 I398 I401 F417 L437 I467 L468 K470	I366-M415 HydrophobicContact CD1-CG 4.21Å; I366-M415 HydrophobicContact CG1-CG 4.25Å; L368-M415 HydrophobicContact CD1-CB 3.86Å; L368-M415 HydrophobicContact CD1-CE 3.91Å; L368-M415 HydrophobicContact CD1-CG 4.09Å; L368-M415 HydrophobicContact CD2-CE 3.55Å; L368-M415 HydrophobicContact CG-CE 4.43Å; I398-M415 HydrophobicContact CD1-CE 3.37Å; I401-M415 HydrophobicContact CD1-CE 3.88Å; I401-M415 HydrophobicContact CD1-SD 4.29Å; M415-F417 HydrophobicContact CB-CD2 4.11Å; M415-F417 HydrophobicContact CB-CE2 3.7Å; M415-F417 HydrophobicContact CE-CE2 3.58Å; M415-F417 HydrophobicContact CE-CZ 3.67Å; M415-F417 PolarHBondContact O-N 3.09Å; M415-F417 HydrophobicContact SD-CE2 4.44Å; M415-L437 HydrophobicContact SD-CD1 4.12Å; M415-I467 HydrophobicContact CG-CG2 3.83Å; M415-I467 HydrophobicContact SD-CG2 3.5Å; M415-I467 VanDerWaalsContact SD-CG2 3.5Å; M415-L468 PolarHBondContact N-O 2.79Å; M415-K470 PolarHBondContact O-N 3.11Å
416	S	97.9	Very high	94	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	102.6	174.6	179.1	0	0	0	0	109.8	I366 E367 L368 K470	I366-S416 WeakPolarHBondContact O-CB 3.08Å; I366-S416 PolarHBondContact O-N 3.08Å; E367-S416 WeakPolarHBondContact CA-O 3.49Å; L368-S416 PolarHBondContact N-O 2.83Å; S416-K470 PolarHBondContact OG-NZ 3.3Å
417	F	95.7	Very high	93.7	Very high	8 Å²	8	21.8 Å²	21.8	4%	0.035	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.8	175.3	-77	-117.3	0	0	0	110.1	F394 M415 I469 K470 N471	F394-F417 AromaticContact CE2-CE1 3.58Å; F394-F417 HydrophobicContact CE2-CE1 3.58Å; F394-F417 AromaticContact CE2-CZ 3.98Å; F394-F417 HydrophobicContact CE2-CZ 3.98Å; F394-F417 AromaticContact CZ-CE1 3.64Å; F394-F417 HydrophobicContact CZ-CE1 3.64Å; F394-F417 AromaticContact CZ-CZ 3.81Å; F394-F417 HydrophobicContact CZ-CZ 3.81Å; M415-F417 HydrophobicContact CB-CD2 4.11Å; M415-F417 HydrophobicContact CB-CE2 3.7Å; M415-F417 HydrophobicContact CE-CE2 3.58Å; M415-F417 HydrophobicContact CE-CZ 3.67Å; M415-F417 PolarHBondContact O-N 3.09Å; M415-F417 HydrophobicContact SD-CE2 4.44Å; F417-I469 HydrophobicContact CD2-CG2 3.86Å; F417-I469 HydrophobicContact CE2-CD1 4.29Å; F417-I469 HydrophobicContact CE2-CG1 4.1Å; F417-I469 HydrophobicContact CE2-CG2 3.93Å; F417-I469 HydrophobicContact CZ-CD1 4.45Å; F417-K470 PolarHBondContact N-O 3.38Å; F417-N471 HydrophobicContact CB-CB 4.08Å
418	E	92.2	Very high	93.8	Very high	26 Å²	26	21 Å²	21	12%	0.121	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	98.4	159.5	-164.8	-173.9	120.6	0	0	107.6	L368 D369 C370 H420 Y589 A592	L368-E418 PolarHBondContact O-N 3.04Å; D369-E418 CarbonylContact C-O 3.55Å; D369-E418 WeakPolarHBondContact CA-O 3.45Å; D369-E418 HydrophobicContact CB-CB 4.44Å; D369-E418 WeakPolarHBondContact OD1-CB 3.38Å; C370-E418 PolarHBondContact N-O 3.41Å; E418-H420 IonicContact OE1-CD2 3.57Å; E418-H420 IonicContact OE1-CE1 3.26Å; E418-H420 IonicContact OE1-NE2 2.79Å; E418-H420 PolarHBondContact OE1-NE2 3.07Å; E418-Y589 WeakPolarHBondContact OE1-CE2 3.48Å; E418-Y589 PolarHBondContact OE1-OH 3.45Å; E418-Y589 PolarHBondContact OE2-OH 3.16Å; E418-A592 HydrophobicContact CG-CB 4.28Å
419	N	91.3	Very high	94	Very high	3 Å²	3	20 Å²	20	2%	0.016	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.5	-164.6	-171.6	4.8	0	0	0	111.9	C421 Q426 A592 T593	N419-C421 PolarHBondContact OD1-N 3.33Å; N419-C421 VanDerWaalsContact OD1-N 3.13Å; N419-Q426 VanDerWaalsContact ND2-CD 3.28Å; N419-Q426 PolarHBondContact ND2-OE1 2.88Å; N419-A592 WeakPolarHBondContact O-CA 3.34Å; N419-A592 WeakPolarHBondContact O-CB 2.87Å; N419-T593 VanDerWaalsContact O-CG2 3.29Å; N419-T593 WeakPolarHBondContact O-CG2 3.37Å; N419-T593 PolarHBondContact O-N 2.76Å
420	H	90.5	Very high	94	Very high	24 Å²	24	19.5 Å²	19.5	11%	0.111	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	12.9	175.7	-56	-85	0	0	0	112.6	C370 W371 E418 T590 G591 A592	C370-H420 WeakPolarHBondContact O-CA 3.18Å; C370-H420 WeakPolarHBondContact O-CB 3.44Å; C370-H420 PolarHBondContact O-N 2.78Å; W371-H420 HydrophobicContact CD2-CB 3.64Å; W371-H420 AromaticContact CD2-CG 3.93Å; W371-H420 AromaticContact CE2-CD2 3.31Å; W371-H420 AromaticContact CE2-CG 3.57Å; W371-H420 AromaticContact CE2-NE2 3.91Å; W371-H420 HydrophobicContact CE3-CB 3.59Å; W371-H420 HydrophobicContact CG-CB 4.23Å; W371-H420 HydrophobicContact CH2-CB 3.95Å; W371-H420 AromaticContact CH2-CE1 3.96Å; W371-H420 AromaticContact CH2-CG 3.6Å; W371-H420 AromaticContact CH2-ND1 3.59Å; W371-H420 HydrophobicContact CZ2-CB 4Å; W371-H420 AromaticContact CZ2-CD2 3.31Å; W371-H420 WeakPolarHBondContact CZ2-CD2 3.31Å; W371-H420 AromaticContact CZ2-CE1 3.67Å; W371-H420 AromaticContact CZ2-CG 3.39Å; W371-H420 AromaticContact CZ2-ND1 3.65Å; W371-H420 AromaticContact CZ2-NE2 3.47Å; W371-H420 WeakPolarHBondContact CZ2-NE2 3.39Å; W371-H420 HydrophobicContact CZ3-CB 3.76Å; W371-H420 AromaticContact CZ3-CG 3.96Å; W371-H420 AromaticContact NE1-CD2 3.51Å; E418-H420 IonicContact OE1-CD2 3.57Å; E418-H420 IonicContact OE1-CE1 3.26Å; E418-H420 IonicContact OE1-NE2 2.79Å; E418-H420 PolarHBondContact OE1-NE2 3.07Å; H420-T590 PolarHBondContact CE1-O 2.73Å; H420-G591 VanDerWaalsContact CE1-C 3.47Å; H420-A592 VanDerWaalsContact CE1-CA 3.47Å; H420-A592 WeakPolarHBondContact CE1-CA 3.2Å; H420-A592 PolarHBondContact CE1-N 3.41Å
421	C	90.6	Very high	93.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.007	9%	0.085	C	C	.	.			trans	-82.9	149.6	-178.5	-67.2	0	0	0	0	112.4	W371 D372 N419 Q425 Q426 L429	W371-C421 PolarHBondContact O-SG 3.1Å; D372-C421 VanDerWaalsContact OD1-CA 3.32Å; D372-C421 WeakPolarHBondContact OD1-CA 3.42Å; N419-C421 PolarHBondContact OD1-N 3.33Å; N419-C421 VanDerWaalsContact OD1-N 3.13Å; C421-Q425 HydrophobicContact CB-CB 4.11Å; C421-Q426 HydrophobicContact CB-CG 3.78Å; C421-Q426 WeakPolarHBondContact O-CG 3.36Å; C421-Q426 PolarHBondContact O-NE2 2.87Å; C421-L429 HydrophobicContact CB-CD1 4.3Å
422	S	89.3	Confident	93.9	Very high	36 Å²	36	19 Å²	19	25%	0.252	9%	0.088	S	C	.	.			trans	-57.6	155.2	163.5	62.4	0	0	0	0	112.2	D372 H424 Q425 Q426	D372-S422 PolarHBondContact OD1-N 2.68Å; D372-S422 PolarHBondContact OD1-OG 2.76Å; D372-S422 VanDerWaalsContact OD2-CB 3.29Å; D372-S422 WeakPolarHBondContact OD2-CB 3.38Å; D372-S422 PolarHBondContact OD2-N 3.38Å; D372-S422 PolarHBondContact OD2-OG 2.6Å; S422-H424 PolarHBondContact O-N 3.02Å; S422-H424 VanDerWaalsContact O-N 3.1Å; S422-Q425 PolarHBondContact O-N 3.2Å; S422-Q425 VanDerWaalsContact O-N 3.07Å; S422-Q425 PolarHBondContact OG-N 3.04Å; S422-Q426 VanDerWaalsContact O-CG 3.29Å; S422-Q426 WeakPolarHBondContact O-CG 3.49Å; S422-Q426 PolarHBondContact O-N 3.32Å
423	K	86.6	Confident	93.9	Very high	20 Å²	20	19 Å²	19	9%	0.087	9%	0.088	C	C	.	.	H	α-helix	trans	-55.5	-33	177.9	-74.2	-160.1	-177.8	-173	0	113.2	Y427 I494 S595 H597	K423-Y427 PolarHBondContact O-N 3.44Å; K423-Y427 VanDerWaalsContact O-N 3.11Å; K423-I494 HydrophobicContact CD-CG2 4.05Å; K423-I494 VanDerWaalsContact CD-O 3.23Å; K423-I494 WeakPolarHBondContact CD-O 2.92Å; K423-I494 WeakPolarHBondContact CE-O 3.5Å; K423-I494 PolarHBondContact NZ-O 3.09Å; K423-S595 WeakPolarHBondContact CE-OG 3.45Å; K423-H597 PolarHBondContact O-CD2 2.95Å
424	H	87.8	Confident	93.8	Very high	87 Å²	87	22.5 Å²	22.5	40%	0.403	10%	0.104	S	C	.	.	H	α-helix	trans	-64.1	-49.7	175.8	-177.8	68.8	0	0	0	112	Q378 S422 Y427 K428	Q378-H424 PolarHBondContact OE1-CD2 3.01Å; S422-H424 PolarHBondContact O-N 3.02Å; S422-H424 VanDerWaalsContact O-N 3.1Å; H424-Y427 WeakPolarHBondContact O-CB 3.46Å; H424-Y427 PolarHBondContact O-N 2.9Å; H424-K428 PolarHBondContact O-N 2.84Å
425	Q	91.4	Very high	93.7	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-74.5	-28.6	178.3	-63.3	-162.9	29.4	0	0	112.3	D372 G373 P380 C421 S422 Y427 K428 L429	D372-Q425 VanDerWaalsContact CA-OE1 3.29Å; D372-Q425 VanDerWaalsContact OD1-CB 3.29Å; D372-Q425 WeakPolarHBondContact OD1-CB 3.18Å; D372-Q425 WeakPolarHBondContact OD1-CG 3.46Å; D372-Q425 PolarHBondContact OD1-OE1 3.12Å; G373-Q425 PolarHBondContact O-NE2 3.24Å; G373-Q425 VanDerWaalsContact O-NE2 3.13Å; P380-Q425 VanDerWaalsContact CA-OE1 3.26Å; P380-Q425 HydrophobicContact CB-CB 4.48Å; C421-Q425 HydrophobicContact CB-CB 4.11Å; S422-Q425 PolarHBondContact O-N 3.2Å; S422-Q425 VanDerWaalsContact O-N 3.07Å; S422-Q425 PolarHBondContact OG-N 3.04Å; Q425-Y427 VanDerWaalsContact C-N 3.26Å; Q425-Y427 PolarHBondContact O-N 3.42Å; Q425-K428 CarbonylContact O-C 3.57Å; Q425-K428 WeakPolarHBondContact O-CA 3.45Å; Q425-K428 WeakPolarHBondContact O-CB 3.47Å; Q425-K428 PolarHBondContact O-N 2.95Å; Q425-L429 WeakPolarHBondContact O-CG 3.44Å; Q425-L429 PolarHBondContact O-N 3.27Å
426	Q	93.2	Very high	93.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-35.5	170	-70.6	-174.7	34.5	0	0	112.7	N419 C421 S422 K428 L429 A430 S595 I596 H597 L600	N419-Q426 VanDerWaalsContact ND2-CD 3.28Å; N419-Q426 PolarHBondContact ND2-OE1 2.88Å; C421-Q426 HydrophobicContact CB-CG 3.78Å; C421-Q426 WeakPolarHBondContact O-CG 3.36Å; C421-Q426 PolarHBondContact O-NE2 2.87Å; S422-Q426 VanDerWaalsContact O-CG 3.29Å; S422-Q426 WeakPolarHBondContact O-CG 3.49Å; S422-Q426 PolarHBondContact O-N 3.32Å; Q426-K428 VanDerWaalsContact C-N 3.33Å; Q426-L429 WeakPolarHBondContact O-CB 3.31Å; Q426-L429 PolarHBondContact O-N 2.77Å; Q426-A430 PolarHBondContact O-N 3.24Å; Q426-S595 PolarHBondContact NE2-O 2.94Å; Q426-S595 VanDerWaalsContact NE2-O 3.07Å; Q426-I596 VanDerWaalsContact OE1-CA 3.27Å; Q426-H597 HydrophobicContact CB-CB 3.79Å; Q426-L600 HydrophobicContact CB-CD2 4.35Å
427	Y	91.7	Very high	93.7	Very high	76 Å²	76	29.7 Å²	29.7	30%	0.298	14%	0.138	S	C	.	.	H	α-helix	trans	-62.2	-41.6	171	170.3	-108.7	0	0	0	111.6	K423 H424 Q425 A430 K431 F486 H597 L599	K423-Y427 PolarHBondContact O-N 3.44Å; K423-Y427 VanDerWaalsContact O-N 3.11Å; H424-Y427 WeakPolarHBondContact O-CB 3.46Å; H424-Y427 PolarHBondContact O-N 2.9Å; Q425-Y427 VanDerWaalsContact C-N 3.26Å; Q425-Y427 PolarHBondContact O-N 3.42Å; Y427-A430 PolarHBondContact O-N 2.83Å; Y427-K431 HydrophobicContact CD1-CG 4.48Å; Y427-K431 HydrophobicContact CD2-CG 4.24Å; Y427-K431 HydrophobicContact CE1-CG 3.97Å; Y427-K431 HydrophobicContact CE2-CD 4.23Å; Y427-K431 HydrophobicContact CE2-CG 3.67Å; Y427-K431 WeakPolarHBondContact O-CG 3.49Å; Y427-K431 PolarHBondContact O-N 3.35Å; Y427-K431 WeakPolarHBondContact OH-CE 3.49Å; Y427-F486 HydrophobicContact CD2-CE1 4.32Å; Y427-F486 HydrophobicContact CD2-CE2 4.24Å; Y427-F486 AromaticContact CD2-CZ 3.63Å; Y427-F486 HydrophobicContact CD2-CZ 3.63Å; Y427-F486 AromaticContact CE2-CE1 3.89Å; Y427-F486 HydrophobicContact CE2-CE1 3.89Å; Y427-F486 HydrophobicContact CE2-CE2 4.27Å; Y427-F486 AromaticContact CE2-CZ 3.3Å; Y427-F486 HydrophobicContact CE2-CZ 3.3Å; Y427-F486 HydrophobicContact CG-CZ 4.5Å; Y427-F486 AromaticContact CZ-CZ 3.93Å; Y427-H597 AromaticContact CD2-CE1 3.77Å; Y427-L599 HydrophobicContact CD2-CD2 3.96Å; Y427-L599 HydrophobicContact CE2-CD2 3.86Å
428	K	94.2	Very high	93.8	Very high	39 Å²	39	31 Å²	31	17%	0.17	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-42.3	172.5	-68	-172.2	173.3	-171.1	0	112.1	D377 Q378 E379 P380 H424 Q425 Q426 A430 K431 Y432	D377-K428 PolarHBondContact O-NZ 3.43Å; Q378-K428 PolarHBondContact O-NZ 3.23Å; E379-K428 IonicContact OE1-NZ 2.73Å; E379-K428 PolarHBondContact OE1-NZ 3.49Å; P380-K428 HydrophobicContact CG-CB 4.25Å; H424-K428 PolarHBondContact O-N 2.84Å; Q425-K428 CarbonylContact O-C 3.57Å; Q425-K428 WeakPolarHBondContact O-CA 3.45Å; Q425-K428 WeakPolarHBondContact O-CB 3.47Å; Q425-K428 PolarHBondContact O-N 2.95Å; Q426-K428 VanDerWaalsContact C-N 3.33Å; K428-A430 VanDerWaalsContact C-N 3.3Å; K428-A430 PolarHBondContact O-N 3.28Å; K428-K431 PolarHBondContact O-N 2.87Å; K428-Y432 HydrophobicContact CB-CE2 4.33Å; K428-Y432 WeakPolarHBondContact O-CD2 3.49Å; K428-Y432 PolarHBondContact O-N 3.49Å
429	L	96.4	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.4	-49.1	174.3	-60.6	-178.4	0	0	0	110.8	C370 P380 F394 C421 Q425 Q426 Y432 C433 L600	C370-L429 HydrophobicContact CB-CD1 3.94Å; C370-L429 HydrophobicContact CB-CD2 4.44Å; P380-L429 HydrophobicContact CB-CD2 3.5Å; P380-L429 HydrophobicContact CB-CG 4.38Å; P380-L429 HydrophobicContact CG-CD2 3.66Å; P380-L429 HydrophobicContact CG-CG 4.5Å; F394-L429 HydrophobicContact CB-CD2 4.16Å; F394-L429 HydrophobicContact CD1-CD2 3.53Å; F394-L429 HydrophobicContact CD2-CD2 3.56Å; F394-L429 HydrophobicContact CE1-CB 4.18Å; F394-L429 HydrophobicContact CE1-CD2 3.68Å; F394-L429 HydrophobicContact CE2-CD2 3.73Å; F394-L429 HydrophobicContact CG-CD2 3.46Å; F394-L429 VanDerWaalsContact CG-CD2 3.46Å; F394-L429 HydrophobicContact CZ-CB 4.2Å; F394-L429 HydrophobicContact CZ-CD2 3.77Å; C421-L429 HydrophobicContact CB-CD1 4.3Å; Q425-L429 WeakPolarHBondContact O-CG 3.44Å; Q425-L429 PolarHBondContact O-N 3.27Å; Q426-L429 WeakPolarHBondContact O-CB 3.31Å; Q426-L429 PolarHBondContact O-N 2.77Å; L429-Y432 PolarHBondContact O-N 2.83Å; L429-C433 PolarHBondContact O-N 3.48Å; L429-C433 PolarHBondContact O-SG 3.22Å; L429-L600 HydrophobicContact CD1-CD2 4.39Å
430	A	95.5	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-45.7	179	0	0	0	0	0	111.7	Q426 Y427 K428 Y432 C433 E434 L599 L600 F603	Q426-A430 PolarHBondContact O-N 3.24Å; Y427-A430 PolarHBondContact O-N 2.83Å; K428-A430 VanDerWaalsContact C-N 3.3Å; K428-A430 PolarHBondContact O-N 3.28Å; A430-Y432 PolarHBondContact O-N 3.36Å; A430-C433 PolarHBondContact O-N 3.08Å; A430-E434 WeakPolarHBondContact O-CB 3.18Å; A430-E434 PolarHBondContact O-N 2.97Å; A430-L599 HydrophobicContact CB-CB 4.31Å; A430-L599 HydrophobicContact CB-CD2 3.88Å; A430-L599 HydrophobicContact CB-CG 3.91Å; A430-L600 HydrophobicContact CB-CB 4.1Å; A430-L600 HydrophobicContact CB-CD1 4.14Å; A430-F603 HydrophobicContact CB-CE2 3.89Å
431	K	95.7	Very high	94.7	Very high	49 Å²	49	38.1 Å²	38.1	21%	0.213	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-44.8	177.9	-80	-74.8	157.9	-153.8	0	112.5	Y427 K428 C433 E434 E435	Y427-K431 HydrophobicContact CD1-CG 4.48Å; Y427-K431 HydrophobicContact CD2-CG 4.24Å; Y427-K431 HydrophobicContact CE1-CG 3.97Å; Y427-K431 HydrophobicContact CE2-CD 4.23Å; Y427-K431 HydrophobicContact CE2-CG 3.67Å; Y427-K431 WeakPolarHBondContact O-CG 3.49Å; Y427-K431 PolarHBondContact O-N 3.35Å; Y427-K431 WeakPolarHBondContact OH-CE 3.49Å; K428-K431 PolarHBondContact O-N 2.87Å; K431-C433 PolarHBondContact O-N 3.5Å; K431-E434 IonicContact NZ-OE2 2.78Å; K431-E434 PolarHBondContact NZ-OE2 2.8Å; K431-E434 PolarHBondContact O-N 3.48Å; K431-E435 WeakPolarHBondContact CD-OE1 3.42Å; K431-E435 VanDerWaalsContact O-CB 3.29Å; K431-E435 WeakPolarHBondContact O-CB 3.47Å; K431-E435 VanDerWaalsContact O-CG 3.3Å; K431-E435 WeakPolarHBondContact O-CG 3.34Å; K431-E435 PolarHBondContact O-N 3.35Å
432	Y	97.6	Very high	95	Very high	24 Å²	24	38.4 Å²	38.4	9%	0.094	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-40.3	176.5	-68	-30	0	0	0	112.7	E379 P380 F394 K395 K428 L429 A430 I436	E379-Y432 PolarHBondContact OE1-OH 3.31Å; E379-Y432 VanDerWaalsContact OE1-OH 3.07Å; E379-Y432 VanDerWaalsContact OE2-CE2 3.28Å; E379-Y432 WeakPolarHBondContact OE2-CE2 3.31Å; E379-Y432 VanDerWaalsContact OE2-CZ 3.3Å; E379-Y432 PolarHBondContact OE2-OH 2.99Å; P380-Y432 HydrophobicContact CG-CD2 4.47Å; P380-Y432 HydrophobicContact CG-CE2 4.26Å; F394-Y432 HydrophobicContact CD1-CD2 4.05Å; K395-Y432 HydrophobicContact CB-CD2 4.07Å; K395-Y432 HydrophobicContact CB-CE2 3.94Å; K395-Y432 HydrophobicContact CD-CD1 4.4Å; K395-Y432 HydrophobicContact CD-CE1 3.86Å; K395-Y432 HydrophobicContact CD-CE2 4.23Å; K395-Y432 HydrophobicContact CG-CD1 4.23Å; K395-Y432 HydrophobicContact CG-CD2 4.32Å; K395-Y432 HydrophobicContact CG-CE1 4.16Å; K395-Y432 HydrophobicContact CG-CE2 4.21Å; K395-Y432 HydrophobicContact CG-CG 4.31Å; K428-Y432 HydrophobicContact CB-CE2 4.33Å; K428-Y432 WeakPolarHBondContact O-CD2 3.49Å; K428-Y432 PolarHBondContact O-N 3.49Å; L429-Y432 PolarHBondContact O-N 2.83Å; A430-Y432 PolarHBondContact O-N 3.36Å; Y432-I436 HydrophobicContact CD1-CD1 4.42Å; Y432-I436 WeakPolarHBondContact O-CB 3.33Å; Y432-I436 VanDerWaalsContact O-CG1 3.32Å; Y432-I436 WeakPolarHBondContact O-CG1 3.2Å; Y432-I436 PolarHBondContact O-N 3.25Å
433	C	98	Very high	95.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-62.5	-48.8	174.4	-65.7	0	0	0	0	111.5	L429 A430 K431 L437 L441 I469	L429-C433 PolarHBondContact O-N 3.48Å; L429-C433 PolarHBondContact O-SG 3.22Å; A430-C433 PolarHBondContact O-N 3.08Å; K431-C433 PolarHBondContact O-N 3.5Å; C433-L437 HydrophobicContact CB-CD1 4.38Å; C433-L437 WeakPolarHBondContact O-CB 3.43Å; C433-L437 WeakPolarHBondContact O-CG 3.44Å; C433-L437 PolarHBondContact O-N 3.33Å; C433-L437 VanDerWaalsContact O-N 3.1Å; C433-L441 HydrophobicContact CB-CD2 4.08Å; C433-I469 HydrophobicContact CB-CD1 4.34Å
434	E	97.1	Very high	95.6	Very high	72 Å²	72	45.9 Å²	45.9	34%	0.336	23%	0.227	S	C	.	.	I	π-helix	trans	-62.5	-50.2	-179.1	-178.1	178	-124.4	0	0	112.1	A430 K431 G438 F603	A430-E434 WeakPolarHBondContact O-CB 3.18Å; A430-E434 PolarHBondContact O-N 2.97Å; K431-E434 IonicContact NZ-OE2 2.78Å; K431-E434 PolarHBondContact NZ-OE2 2.8Å; K431-E434 PolarHBondContact O-N 3.48Å; E434-G438 WeakPolarHBondContact O-CA 3.29Å; E434-G438 PolarHBondContact O-N 3.42Å; E434-G438 VanDerWaalsContact O-N 3.09Å; E434-F603 HydrophobicContact CB-CE2 4.34Å; E434-F603 HydrophobicContact CB-CZ 4.02Å; E434-F603 HydrophobicContact CG-CZ 4.46Å
435	E	97.2	Very high	95.9	Very high	131 Å²	131	44.4 Å²	44.4	61%	0.612	23%	0.225	S	C	*	.	I	π-helix	trans	-74.5	-39.2	-173.7	-68.8	173.5	-173.1	0	0	113	K431	K431-E435 WeakPolarHBondContact CD-OE1 3.42Å; K431-E435 VanDerWaalsContact O-CB 3.29Å; K431-E435 WeakPolarHBondContact O-CB 3.47Å; K431-E435 VanDerWaalsContact O-CG 3.3Å; K431-E435 WeakPolarHBondContact O-CG 3.34Å; K431-E435 PolarHBondContact O-N 3.35Å
436	I	98.2	Very high	96.1	Very high	15 Å²	15	46.6 Å²	46.6	8%	0.077	24%	0.236	C	C	.	.	I	π-helix	trans	-86.7	-40.5	-173.9	-58.5	171.4	0	0	0	111.3	K395 I398 Y399 R402 Y432	K395-I436 HydrophobicContact CG-CD1 4.03Å; I398-I436 HydrophobicContact CB-CD1 4.22Å; I398-I436 HydrophobicContact CG2-CB 3.71Å; I398-I436 HydrophobicContact CG2-CD1 4.08Å; I398-I436 HydrophobicContact CG2-CG1 4.47Å; I398-I436 HydrophobicContact CG2-CG2 3.77Å; Y399-I436 HydrophobicContact CD1-CD1 4.37Å; Y399-I436 HydrophobicContact CD1-CG2 3.47Å; Y399-I436 VanDerWaalsContact CD1-CG2 3.47Å; Y399-I436 HydrophobicContact CD2-CD1 4.12Å; Y399-I436 HydrophobicContact CE1-CB 4.43Å; Y399-I436 HydrophobicContact CE1-CD1 4.08Å; Y399-I436 HydrophobicContact CE1-CG1 3.99Å; Y399-I436 HydrophobicContact CE1-CG2 3.65Å; Y399-I436 HydrophobicContact CE2-CD1 3.82Å; Y399-I436 HydrophobicContact CG-CD1 4.39Å; Y399-I436 HydrophobicContact CG-CG2 4.13Å; R402-I436 HydrophobicContact CB-CG2 4.18Å; R402-I436 WeakPolarHBondContact CD-O 3.15Å; Y432-I436 HydrophobicContact CD1-CD1 4.42Å; Y432-I436 WeakPolarHBondContact O-CB 3.33Å; Y432-I436 VanDerWaalsContact O-CG1 3.32Å; Y432-I436 WeakPolarHBondContact O-CG1 3.2Å; Y432-I436 PolarHBondContact O-N 3.25Å
437	L	98.1	Very high	95.9	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	28%	0.278	C	S	.	.	I	π-helix	trans	-83.6	-27.8	-179.7	-54.3	176.7	0	0	0	112	I398 I401 R402 M415 C433 D439 M440 L441 I467	I398-L437 HydrophobicContact CG2-CD1 4.37Å; I398-L437 HydrophobicContact CG2-CD2 3.78Å; I398-L437 HydrophobicContact CG2-CG 3.81Å; I401-L437 HydrophobicContact CG2-CD2 4.34Å; R402-L437 HydrophobicContact CB-CD2 4.03Å; M415-L437 HydrophobicContact SD-CD1 4.12Å; C433-L437 HydrophobicContact CB-CD1 4.38Å; C433-L437 WeakPolarHBondContact O-CB 3.43Å; C433-L437 WeakPolarHBondContact O-CG 3.44Å; C433-L437 PolarHBondContact O-N 3.33Å; C433-L437 VanDerWaalsContact O-N 3.1Å; L437-D439 PolarHBondContact O-N 3.43Å; L437-M440 HydrophobicContact CB-CB 4.39Å; L437-M440 VanDerWaalsContact O-CB 3.27Å; L437-M440 WeakPolarHBondContact O-CB 3.47Å; L437-M440 WeakPolarHBondContact O-CG 3.19Å; L437-M440 PolarHBondContact O-N 3.28Å; L437-L441 HydrophobicContact CB-CB 4.09Å; L437-L441 HydrophobicContact CD1-CD1 4.41Å; L437-I467 HydrophobicContact CD1-CD1 4.01Å; L437-I467 HydrophobicContact CD1-CG2 4.33Å; L437-I467 HydrophobicContact CD2-CD1 3.86Å; L437-I467 HydrophobicContact CG-CD1 4.38Å
438	G	97.1	Very high	95.8	Very high	36 Å²	36	57.5 Å²	57.5	37%	0.371	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	51.6	-126.6	178.3	0	0	0	0	0	112.2	E434 M440 L441	E434-G438 WeakPolarHBondContact O-CA 3.29Å; E434-G438 PolarHBondContact O-N 3.42Å; E434-G438 VanDerWaalsContact O-N 3.09Å; G438-M440 PolarHBondContact O-N 2.72Å; G438-M440 VanDerWaalsContact O-N 3.09Å; G438-L441 WeakPolarHBondContact O-CB 3.45Å; G438-L441 PolarHBondContact O-N 3.47Å
439	D	96.3	Very high	95.8	Very high	149 Å²	149	58.3 Å²	58.3	80%	0.797	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-63	-16.2	-178.6	-66.7	-27.4	0	0	0	114.6	L437 L441 K466	L437-D439 PolarHBondContact O-N 3.43Å; D439-L441 VanDerWaalsContact C-N 3.28Å; D439-K466 PolarHBondContact O-NZ 3Å
440	M	98.1	Very high	95.7	Very high	46 Å²	46	60.2 Å²	60.2	23%	0.227	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-69	-31.3	173.9	-57.8	-177	-167.7	0	0	110.9	R402 F406 L437 G438 L442 K466 I467	R402-M440 HydrophobicContact CG-CE 4.26Å; R402-M440 HydrophobicContact CG-SD 4.42Å; F406-M440 HydrophobicContact CD2-SD 3.97Å; F406-M440 HydrophobicContact CE2-CB 4.07Å; F406-M440 HydrophobicContact CE2-CG 4.01Å; F406-M440 HydrophobicContact CE2-SD 3.8Å; L437-M440 HydrophobicContact CB-CB 4.39Å; L437-M440 VanDerWaalsContact O-CB 3.27Å; L437-M440 WeakPolarHBondContact O-CB 3.47Å; L437-M440 WeakPolarHBondContact O-CG 3.19Å; L437-M440 PolarHBondContact O-N 3.28Å; G438-M440 PolarHBondContact O-N 2.72Å; G438-M440 VanDerWaalsContact O-N 3.09Å; M440-L442 PolarHBondContact O-N 2.91Å; M440-K466 CarbonylContact O-C 3.57Å; M440-K466 VanDerWaalsContact O-CA 3.28Å; M440-K466 WeakPolarHBondContact O-CA 3.19Å; M440-I467 HydrophobicContact CB-CD1 3.99Å; M440-I467 HydrophobicContact CB-CG1 4.22Å; M440-I467 PolarHBondContact O-N 3.36Å
441	L	98.4	Very high	95.7	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.031	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-74.6	126.6	-179.7	-178	63.6	0	0	0	110.7	C433 L437 G438 D439 T443 I469 F603	C433-L441 HydrophobicContact CB-CD2 4.08Å; L437-L441 HydrophobicContact CB-CB 4.09Å; L437-L441 HydrophobicContact CD1-CD1 4.41Å; G438-L441 WeakPolarHBondContact O-CB 3.45Å; G438-L441 PolarHBondContact O-N 3.47Å; D439-L441 VanDerWaalsContact C-N 3.28Å; L441-T443 HydrophobicContact CB-CG2 4.47Å; L441-T443 HydrophobicContact CD2-CG2 3.85Å; L441-T443 HydrophobicContact CG-CG2 3.88Å; L441-T443 PolarHBondContact O-N 2.9Å; L441-I469 HydrophobicContact CD1-CD1 3.69Å; L441-I469 HydrophobicContact CD1-CG1 3.84Å; L441-F603 HydrophobicContact CD2-CD2 3.97Å; L441-F603 HydrophobicContact CD2-CE2 4.06Å; L441-F603 HydrophobicContact CD2-CG 4.26Å; L441-F603 HydrophobicContact CD2-CZ 4.44Å
442	L	97.5	Very high	95.5	Very high	8 Å²	8	65.6 Å²	65.6	4%	0.042	35%	0.345	C	S	.	.			trans	-84.1	96.8	174.3	-172.4	69.2	0	0	0	110.3	M440 K444 L446 L463 K466 I467 L468 N605 Y606	M440-L442 PolarHBondContact O-N 2.91Å; L442-K444 WeakPolarHBondContact CD1-O 3.42Å; L442-L446 HydrophobicContact CD1-CD2 4.38Å; L442-L463 HydrophobicContact CD2-CD2 3.73Å; L442-K466 HydrophobicContact CB-CB 4.39Å; L442-K466 HydrophobicContact CD1-CD 4.41Å; L442-K466 HydrophobicContact CD1-CG 4.48Å; L442-I467 PolarHBondContact N-O 2.75Å; L442-L468 HydrophobicContact CD2-CD1 4.38Å; L442-L468 HydrophobicContact CD2-CD2 4.45Å; L442-L468 HydrophobicContact CD2-CG 4.02Å; L442-N605 PolarHBondContact O-ND2 2.98Å; L442-Y606 HydrophobicContact CD2-CD2 3.77Å; L442-Y606 HydrophobicContact CD2-CE2 3.79Å
443	T	94.5	Very high	95.4	Very high	57 Å²	57	68.6 Å²	68.6	35%	0.35	37%	0.367	S	S	.	.			trans	-91.7	-15.5	-177	55.9	0	0	0	0	114.3	L441 F603	L441-T443 HydrophobicContact CB-CG2 4.47Å; L441-T443 HydrophobicContact CD2-CG2 3.85Å; L441-T443 HydrophobicContact CG-CG2 3.88Å; L441-T443 PolarHBondContact O-N 2.9Å; T443-F603 HydrophobicContact CG2-CD1 3.82Å; T443-F603 HydrophobicContact CG2-CE1 3.9Å
444	K	93.2	Very high	95.2	Very high	155 Å²	155	70.5 Å²	70.5	67%	0.674	39%	0.387	S	S	*	.	S	Bend	trans	-137.5	149.8	-179.1	-65.7	-177.6	-177.6	176.7	0	111.5	L442	L442-K444 WeakPolarHBondContact CD1-O 3.42Å
445	P	94.6	Very high	95.2	Very high	56 Å²	56	69 Å²	69	36%	0.364	38%	0.383	S	S	.	.			trans	-58.3	159.9	168	-20.8	33.4	0	0	0	111.8	L451	P445-L451 HydrophobicContact CB-CG 4.25Å; P445-L451 HydrophobicContact CG-CD1 3.73Å; P445-L451 HydrophobicContact CG-CD2 4.36Å; P445-L451 HydrophobicContact CG-CG 3.69Å
446	L	95.9	Very high	95.1	Very high	53 Å²	53	64.6 Å²	64.6	28%	0.277	37%	0.369	S	S	.	.			trans	-88.8	148.7	177.1	-58	177.7	0	0	0	108.6	L442 N448 Y449 P458 K462 L463 Y606	L442-L446 HydrophobicContact CD1-CD2 4.38Å; L446-N448 PolarHBondContact O-N 2.67Å; L446-Y449 HydrophobicContact CB-CD2 4.04Å; L446-Y449 HydrophobicContact CD1-CD2 4.21Å; L446-Y449 CarbonylContact O-C 3.57Å; L446-Y449 PolarHBondContact O-N 2.85Å; L446-P458 HydrophobicContact CD1-CB 4.12Å; L446-K462 HydrophobicContact CD1-CB 4.26Å; L446-L463 HydrophobicContact CD1-CD2 4.06Å; L446-Y606 PolarHBondContact N-OH 3.4Å
447	D	87.7	Confident	95.1	Very high	165 Å²	165	64 Å²	64	88%	0.882	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.5	-170.2	-59.8	-28.4	0	0	0	115.3
448	N	89.8	Confident	95.1	Very high	141 Å²	141	63.7 Å²	63.7	75%	0.754	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	5.7	-179.4	-64.5	-30.5	0	0	0	114.3	L446	L446-N448 PolarHBondContact O-N 2.67Å
449	Y	96	Very high	95.2	Very high	56 Å²	56	62.1 Å²	62.1	22%	0.22	35%	0.347	C	S	.	.	S	Bend	trans	-132.9	57.5	-175.1	-62.6	-84.9	0	0	0	108.5	L446 A456 P458 P459 Y606	L446-Y449 HydrophobicContact CB-CD2 4.04Å; L446-Y449 HydrophobicContact CD1-CD2 4.21Å; L446-Y449 CarbonylContact O-C 3.57Å; L446-Y449 PolarHBondContact O-N 2.85Å; Y449-A456 WeakPolarHBondContact CD1-O 3.23Å; Y449-P458 HydrophobicContact CD1-CB 3.88Å; Y449-P458 HydrophobicContact CD2-CB 4.02Å; Y449-P458 VanDerWaalsContact CE1-CA 3.49Å; Y449-P458 HydrophobicContact CE1-CB 4.1Å; Y449-P458 HydrophobicContact CE2-CB 4.23Å; Y449-P458 HydrophobicContact CG-CB 3.83Å; Y449-P459 VanDerWaalsContact OH-CD 3.26Å; Y449-P459 WeakPolarHBondContact OH-CD 3.39Å; Y449-Y606 VanDerWaalsContact CB-OH 3.23Å; Y449-Y606 WeakPolarHBondContact CB-OH 3.46Å; Y449-Y606 VanDerWaalsContact O-CE1 3.27Å; Y449-Y606 WeakPolarHBondContact O-CE1 3.44Å; Y449-Y606 PolarHBondContact O-OH 3.02Å
450	A	94	Very high	95.2	Very high	40 Å²	40	55 Å²	55	33%	0.331	31%	0.31	S	S	.	.			trans	-61.1	151.4	177.8	0	0	0	0	0	111.1	E452 V455	A450-E452 HydrophobicContact CB-CG 4.15Å; A450-E452 PolarHBondContact O-N 2.87Å; A450-V455 WeakPolarHBondContact O-CB 3.37Å; A450-V455 WeakPolarHBondContact O-CG1 3.34Å
451	L	93.9	Very high	95.2	Very high	42 Å²	42	56.1 Å²	56.1	22%	0.22	31%	0.314	C	S	.	.	S	Bend	trans	-81.4	59.9	178.8	-58.2	-176.7	0	0	0	110.8	P445 N605 Y606 H625	P445-L451 HydrophobicContact CB-CG 4.25Å; P445-L451 HydrophobicContact CG-CD1 3.73Å; P445-L451 HydrophobicContact CG-CD2 4.36Å; P445-L451 HydrophobicContact CG-CG 3.69Å; L451-N605 HydrophobicContact CD1-CB 4.24Å; L451-N605 HydrophobicContact CD2-CB 4.39Å; L451-Y606 HydrophobicContact CD2-CD1 3.9Å; L451-Y606 HydrophobicContact CD2-CE1 3.86Å; L451-H625 VanDerWaalsContact C-CE1 3.45Å; L451-H625 HydrophobicContact CD2-CB 3.96Å; L451-H625 PolarHBondContact O-CE1 2.85Å
452	E	93.2	Very high	95.2	Very high	119 Å²	119	62 Å²	62	56%	0.556	34%	0.34	S	S	*	.	S	Bend	trans	-120.9	154.1	-177.3	-66.1	-178.9	177.7	0	0	111.1	A450 G454 V455	A450-E452 HydrophobicContact CB-CG 4.15Å; A450-E452 PolarHBondContact O-N 2.87Å; E452-G454 PolarHBondContact O-N 2.7Å; E452-V455 HydrophobicContact CB-CG2 4.01Å; E452-V455 PolarHBondContact O-N 2.86Å
453	P	94.5	Very high	95.2	Very high	87 Å²	87	61.7 Å²	61.7	57%	0.565	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	137.9	173.7	-24.4	33.5	0	0	0	112.6	V455 N622 I623	P453-V455 VanDerWaalsContact C-N 3.26Å; P453-V455 PolarHBondContact O-N 3.1Å; P453-N622 CarbonylContact C-O 3.6Å; P453-N622 WeakPolarHBondContact CA-O 3.37Å; P453-I623 HydrophobicContact CB-CG1 4.43Å; P453-I623 HydrophobicContact CG-CG1 4.17Å
454	G	94.5	Very high	95.3	Very high	40 Å²	40	63 Å²	63	41%	0.412	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-8.2	179.1	0	0	0	0	0	115.7	E452 N622	E452-G454 PolarHBondContact O-N 2.7Å; G454-N622 WeakPolarHBondContact CA-ND2 3.38Å; G454-N622 PolarHBondContact N-O 2.88Å
455	V	96.4	Very high	95.6	Very high	41 Å²	41	61.1 Å²	61.1	25%	0.248	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-81.3	120.4	174.8	-176.8	0	0	0	0	109.6	A450 E452 P453 H624	A450-V455 WeakPolarHBondContact O-CB 3.37Å; A450-V455 WeakPolarHBondContact O-CG1 3.34Å; E452-V455 HydrophobicContact CB-CG2 4.01Å; E452-V455 PolarHBondContact O-N 2.86Å; P453-V455 VanDerWaalsContact C-N 3.26Å; P453-V455 PolarHBondContact O-N 3.1Å; V455-H624 WeakPolarHBondContact O-CB 3.36Å
456	A	96.2	Very high	95.8	Very high	38 Å²	38	61.5 Å²	61.5	31%	0.314	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.7	156.7	-179.6	0	0	0	0	0	112.6	P327 Y449	P327-A456 HydrophobicContact CB-CB 4.48Å; P327-A456 HydrophobicContact CG-CB 4.12Å; Y449-A456 WeakPolarHBondContact CD1-O 3.23Å
457	L	97.9	Very high	95.9	Very high	2 Å²	2	59 Å²	59	1%	0.01	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-63.4	143.9	172.5	-69.8	166.3	0	0	0	111.3	P327 L328 Y606 H624 H625 M654	P327-L457 WeakPolarHBondContact CA-O 3.41Å; P327-L457 HydrophobicContact CB-CB 4.4Å; P327-L457 WeakPolarHBondContact CB-O 3.32Å; L328-L457 HydrophobicContact CB-CB 3.99Å; L328-L457 HydrophobicContact CB-CD1 4.03Å; L457-Y606 HydrophobicContact CD2-CD1 4.23Å; L457-Y606 HydrophobicContact CD2-CG 4.47Å; L457-Y606 WeakPolarHBondContact CD2-O 3.26Å; L457-H624 HydrophobicContact CG-CB 4.38Å; L457-H625 HydrophobicContact CD2-CB 4.39Å; L457-M654 HydrophobicContact CD1-CE 4.14Å; L457-M654 HydrophobicContact CD1-CG 3.84Å; L457-M654 HydrophobicContact CD1-SD 4.24Å
458	P	97.9	Very high	96.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-61.7	150.4	172.8	28.5	-37.4	0	0	0	111.4	L328 L446 Y449 L463 Y606	L328-P458 WeakPolarHBondContact CG-O 3.31Å; L328-P458 PolarHBondContact N-O 3.28Å; L446-P458 HydrophobicContact CD1-CB 4.12Å; Y449-P458 HydrophobicContact CD1-CB 3.88Å; Y449-P458 HydrophobicContact CD2-CB 4.02Å; Y449-P458 VanDerWaalsContact CE1-CA 3.49Å; Y449-P458 HydrophobicContact CE1-CB 4.1Å; Y449-P458 HydrophobicContact CE2-CB 4.23Å; Y449-P458 HydrophobicContact CG-CB 3.83Å; P458-L463 HydrophobicContact CB-CD1 4.21Å; P458-L463 HydrophobicContact CB-CG 4.16Å; P458-L463 HydrophobicContact CG-CD1 3.63Å; P458-L463 HydrophobicContact CG-CD2 4.23Å; P458-L463 HydrophobicContact CG-CG 4.01Å; P458-Y606 VanDerWaalsContact CD-CD1 3.43Å; P458-Y606 HydrophobicContact CG-CD1 3.95Å; P458-Y606 HydrophobicContact CG-CD2 3.76Å; P458-Y606 HydrophobicContact CG-CE1 3.9Å; P458-Y606 HydrophobicContact CG-CE2 3.69Å; P458-Y606 HydrophobicContact CG-CG 3.86Å
459	P	97.9	Very high	96.8	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.019	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-76.6	155.5	178	32.3	-37.5	0	0	0	112.5	Q326 Y449 E461 K462 L463	Q326-P459 WeakPolarHBondContact O-CA 3.43Å; Q326-P459 WeakPolarHBondContact O-CB 3.42Å; Y449-P459 VanDerWaalsContact OH-CD 3.26Å; Y449-P459 WeakPolarHBondContact OH-CD 3.39Å; P459-E461 PolarHBondContact O-N 3.27Å; P459-E461 VanDerWaalsContact O-N 3.16Å; P459-K462 HydrophobicContact CG-CB 3.93Å; P459-K462 HydrophobicContact CG-CG 3.53Å; P459-K462 PolarHBondContact O-N 3.08Å; P459-L463 PolarHBondContact O-N 3.43Å
460	P	98	Very high	96.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-51.3	-37.3	174.5	-26.6	33.5	0	0	0	113.6	M324 Q326 L328 Y331 P412 K462 L463 K464 Y708	M324-P460 HydrophobicContact CE-CB 3.87Å; M324-P460 HydrophobicContact CE-CG 4.26Å; M324-P460 WeakPolarHBondContact O-CD 3.16Å; Q326-P460 WeakPolarHBondContact O-CD 3.2Å; L328-P460 HydrophobicContact CD2-CG 4.12Å; Y331-P460 HydrophobicContact CD2-CG 3.85Å; Y331-P460 HydrophobicContact CE1-CG 4.4Å; Y331-P460 HydrophobicContact CE2-CG 3.68Å; Y331-P460 HydrophobicContact CG-CG 4.31Å; P412-P460 HydrophobicContact CG-CB 4.38Å; P460-K462 VanDerWaalsContact C-N 3.32Å; P460-K462 PolarHBondContact O-N 2.92Å; P460-L463 CarbonylContact O-C 3.58Å; P460-L463 PolarHBondContact O-N 3.06Å; P460-L463 VanDerWaalsContact O-N 3.09Å; P460-K464 PolarHBondContact O-N 3.36Å; P460-Y708 HydrophobicContact CG-CD1 3.98Å; P460-Y708 HydrophobicContact CG-CE1 4.25Å
461	E	97.3	Very high	96.9	Very high	69 Å²	69	41 Å²	41	32%	0.322	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-58.9	-39.7	178.6	-173.8	61.5	-151.1	0	0	112.9	M324 D325 P459 L463 K464	M324-E461 HydrophobicContact CB-CB 4.27Å; M324-E461 VanDerWaalsContact O-CB 3.29Å; M324-E461 WeakPolarHBondContact O-CB 3.35Å; M324-E461 PolarHBondContact O-N 3.45Å; M324-E461 VanDerWaalsContact O-N 3.09Å; D325-E461 WeakPolarHBondContact OD1-CB 3.47Å; P459-E461 PolarHBondContact O-N 3.27Å; P459-E461 VanDerWaalsContact O-N 3.16Å; E461-L463 VanDerWaalsContact C-N 3.29Å; E461-L463 PolarHBondContact O-N 3.49Å; E461-K464 VanDerWaalsContact CD-CE 3.47Å; E461-K464 WeakPolarHBondContact O-CG 3.37Å; E461-K464 WeakPolarHBondContact OE1-CE 3.41Å; E461-K464 IonicContact OE1-NZ 3.62Å; E461-K464 PolarHBondContact OE1-NZ 2.83Å; E461-K464 WeakPolarHBondContact OE2-CE 3.25Å; E461-K464 IonicContact OE2-NZ 2.73Å; E461-K464 PolarHBondContact OE2-NZ 3.4Å
462	K	97.4	Very high	96.7	Very high	130 Å²	130	41.6 Å²	41.6	57%	0.565	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-78.2	-15.7	178.5	-66.8	-68	-179.9	-171.6	0	113.3	L446 P459 P460	L446-K462 HydrophobicContact CD1-CB 4.26Å; P459-K462 HydrophobicContact CG-CB 3.93Å; P459-K462 HydrophobicContact CG-CG 3.53Å; P459-K462 PolarHBondContact O-N 3.08Å; P460-K462 VanDerWaalsContact C-N 3.32Å; P460-K462 PolarHBondContact O-N 2.92Å
463	L	97.8	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-106.5	17	179.5	-68.2	178.2	0	0	0	112.6	L328 P412 L442 L446 P458 P459 P460 E461 R465 K466 L468	L328-L463 HydrophobicContact CD1-CD1 3.51Å; L328-L463 HydrophobicContact CG-CD1 4.29Å; P412-L463 HydrophobicContact CB-CB 3.85Å; P412-L463 WeakPolarHBondContact CB-O 3.39Å; P412-L463 HydrophobicContact CG-CB 3.75Å; P412-L463 HydrophobicContact CG-CD1 4.46Å; L442-L463 HydrophobicContact CD2-CD2 3.73Å; L446-L463 HydrophobicContact CD1-CD2 4.06Å; P458-L463 HydrophobicContact CB-CD1 4.21Å; P458-L463 HydrophobicContact CB-CG 4.16Å; P458-L463 HydrophobicContact CG-CD1 3.63Å; P458-L463 HydrophobicContact CG-CD2 4.23Å; P458-L463 HydrophobicContact CG-CG 4.01Å; P459-L463 PolarHBondContact O-N 3.43Å; P460-L463 CarbonylContact O-C 3.58Å; P460-L463 PolarHBondContact O-N 3.06Å; P460-L463 VanDerWaalsContact O-N 3.09Å; E461-L463 VanDerWaalsContact C-N 3.29Å; E461-L463 PolarHBondContact O-N 3.49Å; L463-R465 PolarHBondContact O-N 3.25Å; L463-K466 VanDerWaalsContact O-CB 3.3Å; L463-K466 WeakPolarHBondContact O-CB 3.4Å; L463-K466 PolarHBondContact O-N 3.3Å; L463-K466 VanDerWaalsContact O-N 3.08Å; L463-L468 HydrophobicContact CD1-CD1 4.29Å; L463-L468 HydrophobicContact CD1-CD2 4.32Å
464	K	97.8	Very high	96.3	Very high	84 Å²	84	36.2 Å²	36.2	37%	0.365	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	133.9	175.7	-84.9	-179.9	171.4	168.4	0	111.5	D410 P460 E461 K466	D410-K464 CarbonylContact O-C 3.53Å; D410-K464 WeakPolarHBondContact O-CA 2.91Å; P460-K464 PolarHBondContact O-N 3.36Å; E461-K464 VanDerWaalsContact CD-CE 3.47Å; E461-K464 WeakPolarHBondContact O-CG 3.37Å; E461-K464 WeakPolarHBondContact OE1-CE 3.41Å; E461-K464 IonicContact OE1-NZ 3.62Å; E461-K464 PolarHBondContact OE1-NZ 2.83Å; E461-K464 WeakPolarHBondContact OE2-CE 3.25Å; E461-K464 IonicContact OE2-NZ 2.73Å; E461-K464 PolarHBondContact OE2-NZ 3.4Å; K464-K466 PolarHBondContact O-N 3.06Å
465	R	98.2	Very high	95.9	Very high	116 Å²	116	42.1 Å²	42.1	44%	0.438	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	27.8	179.9	-53.2	-177.9	63.6	80.3	4	113.7	F406 D410 L463	F406-R465 VanDerWaalsContact CB-NH1 3.32Å; F406-R465 HydrophobicContact CD1-CB 4.42Å; F406-R465 HydrophobicContact CD1-CG 4.44Å; F406-R465 HydrophobicContact CD2-CB 4.3Å; F406-R465 VanDerWaalsContact CE1-CA 3.46Å; F406-R465 HydrophobicContact CE2-CB 4.39Å; F406-R465 HydrophobicContact CG-CB 4.31Å; F406-R465 HydrophobicContact CG-CG 4.3Å; F406-R465 HydrophobicContact CZ-CB 4.5Å; D410-R465 HydrophobicContact CB-CG 4.21Å; D410-R465 PolarHBondContact O-N 2.96Å; D410-R465 WeakPolarHBondContact OD1-CG 3.38Å; D410-R465 IonicContact OD1-CZ 2.95Å; D410-R465 IonicContact OD1-NH1 3.67Å; D410-R465 PolarHBondContact OD1-NH1 2.76Å; L463-R465 PolarHBondContact O-N 3.25Å
466	K	98.5	Very high	95.2	Very high	65 Å²	65	44.7 Å²	44.7	28%	0.283	21%	0.21	S	C	.	.			trans	-108.5	144.5	174.1	-61.3	-61.9	178.7	178.7	0	112.4	P412 V413 D439 M440 L442 L463 K464	P412-K466 VanDerWaalsContact CA-O 3.24Å; P412-K466 WeakPolarHBondContact CA-O 3.44Å; V413-K466 PolarHBondContact N-O 3.04Å; D439-K466 PolarHBondContact O-NZ 3Å; M440-K466 CarbonylContact O-C 3.57Å; M440-K466 VanDerWaalsContact O-CA 3.28Å; M440-K466 WeakPolarHBondContact O-CA 3.19Å; L442-K466 HydrophobicContact CB-CB 4.39Å; L442-K466 HydrophobicContact CD1-CD 4.41Å; L442-K466 HydrophobicContact CD1-CG 4.48Å; L463-K466 VanDerWaalsContact O-CB 3.3Å; L463-K466 WeakPolarHBondContact O-CB 3.4Å; L463-K466 PolarHBondContact O-N 3.3Å; L463-K466 VanDerWaalsContact O-N 3.08Å; K464-K466 PolarHBondContact O-N 3.06Å
467	I	98.7	Very high	94.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.5	175.9	-57.3	178.9	0	0	0	107.5	I401 A405 F406 V413 M415 L437 M440 L442	I401-I467 HydrophobicContact CG2-CD1 4.04Å; A405-I467 HydrophobicContact CB-CD1 4.25Å; F406-I467 HydrophobicContact CE2-CD1 4.19Å; F406-I467 HydrophobicContact CE2-CG1 3.96Å; F406-I467 HydrophobicContact CZ-CD1 4.31Å; F406-I467 HydrophobicContact CZ-CG1 3.62Å; V413-I467 HydrophobicContact CB-CG1 4.4Å; V413-I467 CarbonylContact O-C 3.42Å; V413-I467 VanDerWaalsContact O-CA 3.28Å; V413-I467 WeakPolarHBondContact O-CA 3.02Å; M415-I467 HydrophobicContact CG-CG2 3.83Å; M415-I467 HydrophobicContact SD-CG2 3.5Å; M415-I467 VanDerWaalsContact SD-CG2 3.5Å; L437-I467 HydrophobicContact CD1-CD1 4.01Å; L437-I467 HydrophobicContact CD1-CG2 4.33Å; L437-I467 HydrophobicContact CD2-CD1 3.86Å; L437-I467 HydrophobicContact CG-CD1 4.38Å; M440-I467 HydrophobicContact CB-CD1 3.99Å; M440-I467 HydrophobicContact CB-CG1 4.22Å; M440-I467 PolarHBondContact O-N 3.36Å; L442-I467 PolarHBondContact N-O 2.75Å
468	L	98.5	Very high	93.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.1	178	-70.1	78.4	0	0	0	109.1	P412 V413 I414 M415 L442 L463 Y606	P412-L468 HydrophobicContact CB-CD1 3.92Å; V413-L468 PolarHBondContact O-N 3.39Å; I414-L468 WeakPolarHBondContact CA-O 3.45Å; I414-L468 HydrophobicContact CG1-CB 4.45Å; M415-L468 PolarHBondContact N-O 2.79Å; L442-L468 HydrophobicContact CD2-CD1 4.38Å; L442-L468 HydrophobicContact CD2-CD2 4.45Å; L442-L468 HydrophobicContact CD2-CG 4.02Å; L463-L468 HydrophobicContact CD1-CD1 4.29Å; L463-L468 HydrophobicContact CD1-CD2 4.32Å; L468-Y606 HydrophobicContact CD2-CD2 4.25Å
469	I	97.9	Very high	93.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.9	172.8	-66.7	-178	0	0	0	109	F417 C433 L441 N471 F603 V604	F417-I469 HydrophobicContact CD2-CG2 3.86Å; F417-I469 HydrophobicContact CE2-CD1 4.29Å; F417-I469 HydrophobicContact CE2-CG1 4.1Å; F417-I469 HydrophobicContact CE2-CG2 3.93Å; F417-I469 HydrophobicContact CZ-CD1 4.45Å; C433-I469 HydrophobicContact CB-CD1 4.34Å; L441-I469 HydrophobicContact CD1-CD1 3.69Å; L441-I469 HydrophobicContact CD1-CG1 3.84Å; I469-N471 HydrophobicContact CG2-CB 3.87Å; I469-F603 HydrophobicContact CD1-CB 3.98Å; I469-F603 HydrophobicContact CD1-CD2 4.07Å; I469-V604 HydrophobicContact CG2-CG2 4.22Å
470	K	97.3	Very high	92.5	Very high	16 Å²	16	60 Å²	60	7%	0.07	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	107.1	162.9	168.3	-170.8	166.6	-79	0	107.9	I414 M415 S416 F417 A607 P609 M627 S629	I414-K470 HydrophobicContact CG2-CB 4.16Å; M415-K470 PolarHBondContact O-N 3.11Å; S416-K470 PolarHBondContact OG-NZ 3.3Å; F417-K470 PolarHBondContact N-O 3.38Å; K470-A607 WeakPolarHBondContact CA-O 3.27Å; K470-A607 HydrophobicContact CB-CB 4.04Å; K470-A607 WeakPolarHBondContact CB-O 3.33Å; K470-P609 HydrophobicContact CG-CB 4.29Å; K470-P609 HydrophobicContact CG-CG 4.05Å; K470-M627 HydrophobicContact CD-CE 3.86Å; K470-M627 HydrophobicContact CD-SD 3.85Å; K470-M627 HydrophobicContact CG-SD 4.25Å; K470-S629 WeakPolarHBondContact CE-OG 3.08Å
471	N	94.4	Very high	91.9	Very high	7 Å²	7	66.2 Å²	66.2	4%	0.037	31%	0.306	C	S	.	.			trans	-151.4	166.7	173.1	-157.3	-16.1	0	0	0	109	F417 I469 I596 L600 V604 P609	F417-N471 HydrophobicContact CB-CB 4.08Å; I469-N471 HydrophobicContact CG2-CB 3.87Å; N471-I596 HydrophobicContact CB-CD1 4.36Å; N471-L600 WeakPolarHBondContact ND2-CD2 3.39Å; N471-V604 HydrophobicContact CB-CG2 3.97Å; N471-V604 WeakPolarHBondContact O-CG1 3.48Å; N471-P609 VanDerWaalsContact C-CG 3.48Å; N471-P609 WeakPolarHBondContact O-CD 3.44Å; N471-P609 VanDerWaalsContact O-CG 3.31Å; N471-P609 WeakPolarHBondContact O-CG 3.39Å
472	K	90.5	Very high	91.3	Very high	54 Å²	54	64.1 Å²	64.1	24%	0.235	30%	0.296	C	S	.	.			trans	-53.6	155.2	173.7	-69.3	-175.2	176.3	-178	0	110.2	E502 T593 I596	K472-E502 IonicContact NZ-OE2 3.49Å; K472-E502 PolarHBondContact NZ-OE2 3.33Å; K472-T593 WeakPolarHBondContact CD-O 3.31Å; K472-T593 WeakPolarHBondContact CE-O 3.48Å; K472-T593 PolarHBondContact NZ-O 3.49Å; K472-I596 HydrophobicContact CB-CD1 4.47Å; K472-I596 WeakPolarHBondContact O-CD1 3.41Å
473	R	90.9	Very high	90.6	Very high	63 Å²	63	59.8 Å²	59.8	24%	0.238	28%	0.279	C	S	.	.			trans	-133.3	137.5	177.9	-163.1	-177.5	176.6	-168.8	-2.1	110.6	E479 S601 V604 Q608	R473-E479 IonicContact CZ-OE1 3.56Å; R473-E479 IonicContact NE-OE1 3.9Å; R473-E479 IonicContact NE-OE2 3.37Å; R473-E479 PolarHBondContact NE-OE2 2.85Å; R473-E479 IonicContact NH2-OE1 3.89Å; R473-E479 PolarHBondContact NH2-OE1 3.1Å; R473-S601 VanDerWaalsContact CG-OG 3.28Å; R473-S601 WeakPolarHBondContact CG-OG 3.37Å; R473-V604 HydrophobicContact CB-CB 4.28Å; R473-V604 HydrophobicContact CB-CG1 4.25Å; R473-V604 HydrophobicContact CG-CB 4.23Å; R473-V604 PolarHBondContact NE-O 3.24Å; R473-Q608 HydrophobicContact CB-CG 4.08Å
474	L	88.1	Confident	89.9	Confident	30 Å²	30	63.3 Å²	63.3	16%	0.157	30%	0.298	C	S	.	.			trans	-67.3	153.6	170.8	-68.7	171.8	0	0	0	110.4	E479 I596 P598 S601	L474-E479 HydrophobicContact CB-CB 3.88Å; L474-I596 HydrophobicContact CD1-CG2 4.4Å; L474-I596 HydrophobicContact CD2-CG2 3.95Å; L474-I596 HydrophobicContact CG-CG2 3.66Å; L474-P598 HydrophobicContact CD1-CB 4.19Å; L474-S601 PolarHBondContact N-OG 2.87Å
475	K	85.4	Confident	89.2	Confident	165 Å²	165	61.4 Å²	61.4	72%	0.717	29%	0.292	S	S	*	.			trans	-59	142.9	168.3	-68.7	-175.8	178.7	-179.9	0	109.5	E477 A478 E479	K475-E477 VanDerWaalsContact C-N 3.26Å; K475-E477 PolarHBondContact O-N 3.37Å; K475-E477 VanDerWaalsContact O-N 3.09Å; K475-A478 PolarHBondContact O-N 3.15Å; K475-E479 WeakPolarHBondContact O-CB 3.43Å; K475-E479 PolarHBondContact O-N 3.27Å
476	P	82.1	Confident	88.4	Confident	95 Å²	95	57.7 Å²	57.7	62%	0.617	28%	0.279	S	S	*	.	H	α-helix	trans	-52.8	-38.3	-172.6	-29.2	34.9	0	0	0	115	K480	P476-K480 WeakPolarHBondContact O-CB 3.39Å; P476-K480 PolarHBondContact O-N 3.28Å
477	E	81.9	Confident	87.5	Confident	166 Å²	166	60.6 Å²	60.6	78%	0.776	30%	0.297	S	S	*	.	H	α-helix	trans	-68.9	-46	179.2	-68.6	154.7	169.1	0	0	112	K475 K480 Q481	K475-E477 VanDerWaalsContact C-N 3.26Å; K475-E477 PolarHBondContact O-N 3.37Å; K475-E477 VanDerWaalsContact O-N 3.09Å; E477-K480 PolarHBondContact O-N 3.15Å; E477-Q481 WeakPolarHBondContact O-CB 3.45Å; E477-Q481 PolarHBondContact O-N 3.27Å
478	A	83.8	Confident	86.7	Confident	32 Å²	32	67.8 Å²	67.8	26%	0.264	33%	0.328	S	S	.	.	H	α-helix	trans	-67	-39.9	176.4	0	0	0	0	0	111.4	K475 Q481 Q482	K475-A478 PolarHBondContact O-N 3.15Å; A478-Q481 PolarHBondContact O-N 2.96Å; A478-Q482 VanDerWaalsContact O-CB 3.3Å; A478-Q482 WeakPolarHBondContact O-CB 3.37Å; A478-Q482 VanDerWaalsContact O-CG 3.31Å; A478-Q482 WeakPolarHBondContact O-CG 3.32Å; A478-Q482 PolarHBondContact O-N 2.82Å
479	E	85.1	Confident	85.4	Confident	22 Å²	22	70.4 Å²	70.4	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-57.4	-52.8	174.4	-175.3	171.9	81.2	0	0	110.4	R473 L474 K475 Q481 Q482 L483 S601 S602	R473-E479 IonicContact CZ-OE1 3.56Å; R473-E479 IonicContact NE-OE1 3.9Å; R473-E479 IonicContact NE-OE2 3.37Å; R473-E479 PolarHBondContact NE-OE2 2.85Å; R473-E479 IonicContact NH2-OE1 3.89Å; R473-E479 PolarHBondContact NH2-OE1 3.1Å; L474-E479 HydrophobicContact CB-CB 3.88Å; K475-E479 WeakPolarHBondContact O-CB 3.43Å; K475-E479 PolarHBondContact O-N 3.27Å; E479-Q481 PolarHBondContact O-N 3.21Å; E479-Q482 PolarHBondContact O-N 3.47Å; E479-L483 WeakPolarHBondContact O-CB 3.37Å; E479-L483 PolarHBondContact O-N 3.12Å; E479-S601 WeakPolarHBondContact OE2-CB 3.5Å; E479-S601 PolarHBondContact OE2-OG 3.24Å; E479-S602 PolarHBondContact OE2-N 3.34Å
480	K	83.7	Confident	84.2	Confident	145 Å²	145	75.7 Å²	75.7	63%	0.63	38%	0.38	S	S	*	.	H	α-helix	trans	-61.3	-45.1	179.8	-172.8	178.1	179.6	-179.3	0	111.8	P476 E477 D484	P476-K480 WeakPolarHBondContact O-CB 3.39Å; P476-K480 PolarHBondContact O-N 3.28Å; E477-K480 PolarHBondContact O-N 3.15Å; K480-D484 WeakPolarHBondContact O-CB 3.36Å; K480-D484 PolarHBondContact O-N 3.34Å
481	Q	85.3	Confident	82.8	Confident	131 Å²	131	77.9 Å²	77.9	61%	0.612	40%	0.395	S	S	*	.	H	α-helix	trans	-64.1	-49.3	179.6	-174.5	-179.9	12.1	0	0	111.8	E477 A478 E479 L483 D484 L485	E477-Q481 WeakPolarHBondContact O-CB 3.45Å; E477-Q481 PolarHBondContact O-N 3.27Å; A478-Q481 PolarHBondContact O-N 2.96Å; E479-Q481 PolarHBondContact O-N 3.21Å; Q481-L483 VanDerWaalsContact C-N 3.35Å; Q481-L483 PolarHBondContact O-N 2.96Å; Q481-D484 PolarHBondContact O-N 3.4Å; Q481-L485 HydrophobicContact CG-CD1 4.33Å; Q481-L485 WeakPolarHBondContact O-CB 3.27Å; Q481-L485 VanDerWaalsContact O-CG 3.3Å; Q481-L485 WeakPolarHBondContact O-CG 3.33Å; Q481-L485 PolarHBondContact O-N 3.2Å
482	Q	84.8	Confident	81.3	Confident	24 Å²	24	83.2 Å²	83.2	11%	0.112	42%	0.423	C	S	.	.	H	α-helix	trans	-67.8	-35.3	-179.5	-69.3	-174	20.6	0	0	111.7	A478 E479 L485 F486 I494 P598	A478-Q482 VanDerWaalsContact O-CB 3.3Å; A478-Q482 WeakPolarHBondContact O-CB 3.37Å; A478-Q482 VanDerWaalsContact O-CG 3.31Å; A478-Q482 WeakPolarHBondContact O-CG 3.32Å; A478-Q482 PolarHBondContact O-N 2.82Å; E479-Q482 PolarHBondContact O-N 3.47Å; Q482-L485 PolarHBondContact O-N 3.39Å; Q482-F486 VanDerWaalsContact O-CB 3.31Å; Q482-F486 WeakPolarHBondContact O-CB 3.36Å; Q482-F486 PolarHBondContact O-N 3.22Å; Q482-I494 WeakPolarHBondContact O-CD1 3.49Å; Q482-P598 HydrophobicContact CB-CB 3.87Å; Q482-P598 HydrophobicContact CB-CG 3.97Å
483	L	82.2	Confident	79.8	Confident	40 Å²	40	83.7 Å²	83.7	21%	0.209	44%	0.437	C	S	.	.	H	α-helix	trans	-67.6	-41.4	175.3	-162.7	75.1	0	0	0	111.6	E479 Q481 F486 L487 P598 L599	E479-L483 WeakPolarHBondContact O-CB 3.37Å; E479-L483 PolarHBondContact O-N 3.12Å; Q481-L483 VanDerWaalsContact C-N 3.35Å; Q481-L483 PolarHBondContact O-N 2.96Å; L483-F486 WeakPolarHBondContact O-CB 3.43Å; L483-F486 PolarHBondContact O-N 2.92Å; L483-L487 HydrophobicContact CG-CD1 4.24Å; L483-L487 WeakPolarHBondContact O-CB 3.48Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.5Å; L483-L487 PolarHBondContact O-N 3.27Å; L483-P598 HydrophobicContact CB-CB 4.23Å; L483-P598 HydrophobicContact CD1-CB 4.1Å; L483-L599 HydrophobicContact CD1-CB 4.4Å; L483-L599 HydrophobicContact CD1-CD1 4.46Å
484	D	83.9	Confident	78.6	Confident	74 Å²	74	81 Å²	81	40%	0.396	43%	0.427	S	S	.	.	H	α-helix	trans	-64.2	-40.6	174.8	-87.7	-2.2	0	0	0	111.9	K480 Q481 K488	K480-D484 WeakPolarHBondContact O-CB 3.36Å; K480-D484 PolarHBondContact O-N 3.34Å; Q481-D484 PolarHBondContact O-N 3.4Å; D484-K488 WeakPolarHBondContact O-CB 3.44Å; D484-K488 WeakPolarHBondContact O-CD 3.4Å; D484-K488 VanDerWaalsContact O-CG 3.24Å; D484-K488 WeakPolarHBondContact O-CG 3.44Å; D484-K488 PolarHBondContact O-N 3.41Å; D484-K488 VanDerWaalsContact O-N 3.12Å
485	L	82.9	Confident	77.1	Confident	43 Å²	43	85 Å²	85	23%	0.225	45%	0.445	C	S	.	.	H	α-helix	trans	-63	-43.9	174.4	-74.1	175.4	0	0	0	111.3	Q481 Q482 K488 G489 Q490 A493 I494	Q481-L485 HydrophobicContact CG-CD1 4.33Å; Q481-L485 WeakPolarHBondContact O-CB 3.27Å; Q481-L485 VanDerWaalsContact O-CG 3.3Å; Q481-L485 WeakPolarHBondContact O-CG 3.33Å; Q481-L485 PolarHBondContact O-N 3.2Å; Q482-L485 PolarHBondContact O-N 3.39Å; L485-K488 PolarHBondContact O-N 3.31Å; L485-G489 PolarHBondContact O-N 2.84Å; L485-Q490 VanDerWaalsContact CD2-OE1 3.26Å; L485-Q490 PolarHBondContact O-N 3.34Å; L485-A493 HydrophobicContact CD1-CB 4.5Å; L485-I494 HydrophobicContact CB-CD1 4.46Å
486	F	81	Confident	75.5	Confident	39 Å²	39	85.1 Å²	85.1	17%	0.171	45%	0.448	C	S	.	.	H	α-helix	trans	-60.8	-49.3	176.8	179.2	-106.4	0	0	0	111.7	Y427 Q482 L483 K488 G489 T491 I494 H597	Y427-F486 HydrophobicContact CD2-CE1 4.32Å; Y427-F486 HydrophobicContact CD2-CE2 4.24Å; Y427-F486 AromaticContact CD2-CZ 3.63Å; Y427-F486 HydrophobicContact CD2-CZ 3.63Å; Y427-F486 AromaticContact CE2-CE1 3.89Å; Y427-F486 HydrophobicContact CE2-CE1 3.89Å; Y427-F486 HydrophobicContact CE2-CE2 4.27Å; Y427-F486 AromaticContact CE2-CZ 3.3Å; Y427-F486 HydrophobicContact CE2-CZ 3.3Å; Y427-F486 HydrophobicContact CG-CZ 4.5Å; Y427-F486 AromaticContact CZ-CZ 3.93Å; Q482-F486 VanDerWaalsContact O-CB 3.31Å; Q482-F486 WeakPolarHBondContact O-CB 3.36Å; Q482-F486 PolarHBondContact O-N 3.22Å; L483-F486 WeakPolarHBondContact O-CB 3.43Å; L483-F486 PolarHBondContact O-N 2.92Å; F486-K488 PolarHBondContact O-N 3Å; F486-G489 PolarHBondContact O-N 2.96Å; F486-T491 HydrophobicContact CD2-CG2 4.11Å; F486-T491 HydrophobicContact CE2-CG2 4.16Å; F486-I494 HydrophobicContact CB-CD1 3.51Å; F486-I494 HydrophobicContact CD2-CD1 4.16Å; F486-I494 HydrophobicContact CG-CD1 4.32Å; F486-H597 AromaticContact CD2-NE2 3.9Å; F486-H597 AromaticContact CE2-CE1 3.99Å; F486-H597 AromaticContact CE2-NE2 3.81Å
487	L	79.6	Confident	74	Confident	125 Å²	125	86.8 Å²	86.8	65%	0.654	45%	0.448	S	S	*	.	H	α-helix	trans	-63.7	-25.1	179.2	-72.7	167.9	0	0	0	112.8	L483 G489	L483-L487 HydrophobicContact CG-CD1 4.24Å; L483-L487 WeakPolarHBondContact O-CB 3.48Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.5Å; L483-L487 PolarHBondContact O-N 3.27Å; L487-G489 VanDerWaalsContact C-N 3.29Å
488	K	80.5	Confident	72	Confident	152 Å²	152	86.1 Å²	86.1	66%	0.661	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	1.3	172.9	-71.3	170.6	-175	168.9	0	113.7	D484 L485 F486	D484-K488 WeakPolarHBondContact O-CB 3.44Å; D484-K488 WeakPolarHBondContact O-CD 3.4Å; D484-K488 VanDerWaalsContact O-CG 3.24Å; D484-K488 WeakPolarHBondContact O-CG 3.44Å; D484-K488 PolarHBondContact O-N 3.41Å; D484-K488 VanDerWaalsContact O-N 3.12Å; L485-K488 PolarHBondContact O-N 3.31Å; F486-K488 PolarHBondContact O-N 3Å
489	G	72.7	Confident	70	Confident	56 Å²	56	91.1 Å²	91.1	58%	0.577	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	14.1	178.9	0	0	0	0	0	115	L485 F486 L487 T491	L485-G489 PolarHBondContact O-N 2.84Å; F486-G489 PolarHBondContact O-N 2.96Å; L487-G489 VanDerWaalsContact C-N 3.29Å; G489-T491 PolarHBondContact O-N 3.14Å
490	Q	73	Confident	68.1	Low	111 Å²	111	94.9 Å²	94.9	52%	0.519	49%	0.492	S	S	.	.			trans	-93.7	74.7	177.9	-66.8	-176.5	-5.8	0	0	110.5	L485	L485-Q490 VanDerWaalsContact CD2-OE1 3.26Å; L485-Q490 PolarHBondContact O-N 3.34Å
491	T	67	Low	66.4	Low	61 Å²	61	92.6 Å²	92.6	37%	0.374	49%	0.49	S	S	.	.			trans	-77	-29.2	-174.7	48.2	0	0	0	0	114.3	F486 G489 A493 I494	F486-T491 HydrophobicContact CD2-CG2 4.11Å; F486-T491 HydrophobicContact CE2-CG2 4.16Å; G489-T491 PolarHBondContact O-N 3.14Å; T491-A493 VanDerWaalsContact C-N 3.34Å; T491-A493 PolarHBondContact O-N 3.31Å; T491-I494 WeakPolarHBondContact O-CB 3.31Å; T491-I494 PolarHBondContact O-N 2.92Å; T491-I494 VanDerWaalsContact O-N 3.12Å
492	D	62.6	Low	64.6	Low	119 Å²	119	91 Å²	91	64%	0.636	48%	0.483	S	S	*	.	H	α-helix	trans	-65.4	-39	-174.9	-60.4	-16.7	0	0	0	111.6	I494 Q495	D492-I494 PolarHBondContact O-N 3.5Å; D492-I494 VanDerWaalsContact O-N 3.07Å; D492-Q495 PolarHBondContact O-N 2.76Å
493	A	59.8	Low	62.6	Low	64 Å²	64	94.6 Å²	94.6	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-16.3	177.1	0	0	0	0	0	113.8	L485 T491	L485-A493 HydrophobicContact CD1-CB 4.5Å; T491-A493 VanDerWaalsContact C-N 3.34Å; T491-A493 PolarHBondContact O-N 3.31Å
494	I	64.7	Low	60.7	Low	7 Å²	7	94.7 Å²	94.7	4%	0.036	51%	0.506	C	S	.	.	H	α-helix	trans	-92.3	-20	179.7	-55.5	170.8	0	0	0	110.2	K423 Q482 L485 F486 T491 D492 P598	K423-I494 HydrophobicContact CD-CG2 4.05Å; K423-I494 VanDerWaalsContact CD-O 3.23Å; K423-I494 WeakPolarHBondContact CD-O 2.92Å; K423-I494 WeakPolarHBondContact CE-O 3.5Å; K423-I494 PolarHBondContact NZ-O 3.09Å; Q482-I494 WeakPolarHBondContact O-CD1 3.49Å; L485-I494 HydrophobicContact CB-CD1 4.46Å; F486-I494 HydrophobicContact CB-CD1 3.51Å; F486-I494 HydrophobicContact CD2-CD1 4.16Å; F486-I494 HydrophobicContact CG-CD1 4.32Å; T491-I494 WeakPolarHBondContact O-CB 3.31Å; T491-I494 PolarHBondContact O-N 2.92Å; T491-I494 VanDerWaalsContact O-N 3.12Å; D492-I494 PolarHBondContact O-N 3.5Å; D492-I494 VanDerWaalsContact O-N 3.07Å; I494-P598 HydrophobicContact CD1-CG 4.41Å; I494-P598 HydrophobicContact CG2-CG 4.28Å
495	Q	57.9	Low	58.6	Low	113 Å²	113	97.3 Å²	97.3	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-85.2	-18.6	-173.6	-69.3	-174.5	-0.7	0	0	114.8	D492 E497	D492-Q495 PolarHBondContact O-N 2.76Å; Q495-E497 PolarHBondContact O-N 2.85Å
496	E	51.1	Low	56.3	Low	168 Å²	168	101.3 Å²	101.3	79%	0.785	54%	0.541	S	S	*	.			trans	-82.3	5.2	-163.4	-73.7	-171.5	156.1	0	0	118.1	N498	E496-N498 PolarHBondContact O-N 3.33Å
497	E	51	Low	53.9	Low	130 Å²	130	102.3 Å²	102.3	61%	0.607	55%	0.55	S	S	*	*	S	Bend	trans	-88.6	107	176.1	-76.1	-177.5	163.4	0	0	111.9	Q495	Q495-E497 PolarHBondContact O-N 2.85Å
498	N	40.5	Very low	51.6	Low	152 Å²	152	101.5 Å²	101.5	81%	0.813	55%	0.545	S	S	*	.			trans	-47.2	134.3	-178.5	-73.9	-44	0	0	0	114.3	E496 V500	E496-N498 PolarHBondContact O-N 3.33Å; N498-V500 PolarHBondContact O-N 3.23Å
499	E	41.4	Very low	49.1	Very low	138 Å²	138	102 Å²	102	65%	0.645	56%	0.556	S	S	*	*			trans	-65	115.8	177.4	-71.3	-176.4	146.8	0	0	112.3
500	V	45.1	Very low	47	Very low	101 Å²	101	108.4 Å²	108.4	61%	0.612	56%	0.562	S	S	*	*			trans	-108.5	111.2	159.8	-171.2	0	0	0	0	107.2	N498 S594	N498-V500 PolarHBondContact O-N 3.23Å; V500-S594 VanDerWaalsContact O-CB 3.31Å; V500-S594 WeakPolarHBondContact O-CB 3.31Å; V500-S594 PolarHBondContact O-OG 2.64Å
501	T	48.4	Very low	44.8	Very low	97 Å²	97	110.2 Å²	110.2	60%	0.595	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-78.2	132	172.1	25.6	0	0	0	0	109.7
502	E	46.8	Very low	43	Very low	96 Å²	96	115.2 Å²	115.2	45%	0.449	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-91.1	142.5	178.1	-73.9	179.6	131.4	0	0	111.3	K472 G591	K472-E502 IonicContact NZ-OE2 3.49Å; K472-E502 PolarHBondContact NZ-OE2 3.33Å; E502-G591 WeakPolarHBondContact O-CA 3.39Å; E502-G591 PolarHBondContact O-N 3.39Å
503	D	42.1	Very low	41.5	Very low	100 Å²	100	112.9 Å²	112.9	54%	0.535	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-90	118.7	169.2	-171	-16.5	0	0	0	109.2	D505 L506	D503-D505 VanDerWaalsContact C-N 3.27Å; D503-D505 PolarHBondContact O-N 3.15Å; D503-D505 PolarHBondContact OD1-N 3.46Å; D503-D505 VanDerWaalsContact OD1-N 3.15Å; D503-L506 HydrophobicContact CB-CD1 4.36Å; D503-L506 HydrophobicContact CB-CG 4.48Å
504	P	43.7	Very low	40	Very low	43 Å²	43	118.1 Å²	118.1	28%	0.279	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-17.2	-177.9	33.4	-42.1	0	0	0	114.3	Y589	P504-Y589 HydrophobicContact CB-CE1 4.35Å; P504-Y589 HydrophobicContact CG-CD1 3.52Å; P504-Y589 HydrophobicContact CG-CE1 3.53Å
505	D	38.3	Very low	38.2	Very low	128 Å²	128	120.7 Å²	120.7	68%	0.684	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-5.3	-177.2	-93.2	-12.7	0	0	0	113.4	D503 T507	D503-D505 VanDerWaalsContact C-N 3.27Å; D503-D505 PolarHBondContact O-N 3.15Å; D503-D505 PolarHBondContact OD1-N 3.46Å; D503-D505 VanDerWaalsContact OD1-N 3.15Å; D505-T507 PolarHBondContact O-N 3.23Å
506	L	35.3	Very low	36.6	Very low	127 Å²	127	121.2 Å²	121.2	67%	0.665	67%	0.666	S	S	*	*			trans	-81.6	64.1	167.4	-67.2	175.3	0	0	0	110.7	D503	D503-L506 HydrophobicContact CB-CD1 4.36Å; D503-L506 HydrophobicContact CB-CG 4.48Å
507	T	29.7	Very low	35.6	Very low	60 Å²	60	119.2 Å²	119.2	37%	0.368	67%	0.671	S	S	.	*			trans	-115.9	124.8	165.4	50.4	0	0	0	0	109.5	D505 V634	D505-T507 PolarHBondContact O-N 3.23Å; T507-V634 VanDerWaalsContact OG1-CG2 3.25Å; T507-V634 WeakPolarHBondContact OG1-CG2 3.31Å
508	I	32.1	Very low	34.4	Very low	108 Å²	108	117.1 Å²	117.1	55%	0.554	68%	0.676	S	S	*	*			trans	82.1	82.5	-173	-38.4	169.3	0	0	0	113.7	R510	I508-R510 VanDerWaalsContact C-N 3.27Å; I508-R510 HydrophobicContact CG2-CB 4.46Å; I508-R510 HydrophobicContact CG2-CG 3.45Å; I508-R510 VanDerWaalsContact CG2-CG 3.45Å; I508-R510 PolarHBondContact O-N 2.9Å
509	D	27.5	Very low	33.9	Very low	164 Å²	164	117.8 Å²	117.8	88%	0.877	68%	0.679	S	S	*	*			trans	-61.8	98.5	145.4	-83.2	-38.6	0	0	0	106.7	D511	D509-D511 PolarHBondContact O-N 3.44Å; D509-D511 VanDerWaalsContact O-N 3.09Å
510	R	28.7	Very low	33.1	Very low	189 Å²	189	120.7 Å²	120.7	71%	0.713	69%	0.69	S	S	*	*			trans	-76.4	86.1	163.4	-74.5	-169.7	172.5	180	-6.3	107.2	I508 D512	I508-R510 VanDerWaalsContact C-N 3.27Å; I508-R510 HydrophobicContact CG2-CB 4.46Å; I508-R510 HydrophobicContact CG2-CG 3.45Å; I508-R510 VanDerWaalsContact CG2-CG 3.45Å; I508-R510 PolarHBondContact O-N 2.9Å; R510-D512 PolarHBondContact O-N 3.39Å
511	D	27.2	Very low	32.4	Very low	150 Å²	150	120.5 Å²	120.5	80%	0.802	70%	0.699	S	S	*	*			trans	-83.7	93.4	157.3	-156.1	15.9	0	0	0	107.1	D509	D509-D511 PolarHBondContact O-N 3.44Å; D509-D511 VanDerWaalsContact O-N 3.09Å
512	D	28.8	Very low	31.5	Very low	166 Å²	166	123.4 Å²	123.4	89%	0.888	71%	0.711	S	S	*	*			trans	-153.8	97.2	165.7	-95.1	-36.4	0	0	0	109.2	R510	R510-D512 PolarHBondContact O-N 3.39Å
513	G	31.4	Very low	30.5	Very low	70 Å²	70	126.5 Å²	126.5	72%	0.722	73%	0.73	S	S	*	*			trans	-176.8	45	-178.6	0	0	0	0	0	116.6
514	D	29.1	Very low	29.8	Very low	173 Å²	173	124.8 Å²	124.8	93%	0.925	74%	0.736	S	S	*	*			trans	56.8	127.2	143.3	-151.3	12.5	0	0	0	121.5
515	G	27.1	Very low	28.9	Very low	61 Å²	61	131.9 Å²	131.9	63%	0.629	77%	0.766	S	S	*	*			trans	117.8	87.7	144	0	0	0	0	0	120.1
516	C	24.4	Very low	28.6	Very low	125 Å²	125	133.8 Å²	133.8	85%	0.845	77%	0.774	S	S	*	*			trans	52.4	107.9	139.9	-65.1	0	0	0	0	121.3
517	S	29.3	Very low	28.3	Very low	126 Å²	126	133.8 Å²	133.8	88%	0.881	78%	0.78	S	S	*	*				161.7	145.5	103.6	-75.5	0	0	0	0	113.4
518	A	25.6	Very low	28.1	Very low	86 Å²	86	135.4 Å²	135.4	71%	0.711	80%	0.799	S	S	*	*			trans	-52.4	142.1	-178	0	0	0	0	0	116.1
519	N	30.1	Very low	27.9	Very low	165 Å²	165	137.2 Å²	137.2	88%	0.882	82%	0.815	S	S	*	*				-173.6	148	107.3	-94.4	-33.6	0	0	0	113.5
520	K	25.2	Very low	27.8	Very low	200 Å²	200	135.3 Å²	135.3	87%	0.87	81%	0.809	S	S	*	*			trans	-72.9	165.1	-180	-74.4	172.2	170.6	176.9	0	113.4
521	A	28.7	Very low	27.8	Very low	97 Å²	97	133 Å²	133	80%	0.802	82%	0.817	S	S	*	*			trans	92.5	137.6	163.7	0	0	0	0	0	114.1
522	N	30.1	Very low	27.7	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	82%	0.815	S	S	*	*			cis	-162.8	160.3	16.2	-153.2	8.5	0	0	0	110
523	N	25.1	Very low	27.7	Very low	161 Å²	161	130.9 Å²	130.9	86%	0.861	82%	0.816	S	S	*	*			trans	-63.6	158	171.9	-77.6	-21.5	0	0	0	114.2
524	G	28.4	Very low	27.5	Very low	64 Å²	64	134.2 Å²	134.2	66%	0.66	82%	0.822	S	S	*	*			trans	144.5	89.6	159.2	0	0	0	0	0	111.8
525	E	24.8	Very low	27.6	Very low	192 Å²	192	130 Å²	130	90%	0.897	82%	0.819	S	S	*	*				59.9	104.2	89.6	-153.4	174.9	-144.3	0	0	112.8
526	I	31.6	Very low	27.5	Very low	168 Å²	168	133.3 Å²	133.3	86%	0.862	83%	0.833	S	S	*	*			trans	-130.7	107	170.3	-61.6	-179.4	0	0	0	109.5
527	T	28.4	Very low	27.7	Very low	127 Å²	127	131.3 Å²	131.3	78%	0.779	83%	0.834	S	S	*	*			trans	-79.3	144.8	159.2	33.9	0	0	0	0	111.3
528	A	25.6	Very low	27.6	Very low	94 Å²	94	129.2 Å²	129.2	78%	0.777	83%	0.831	S	S	*	*			trans	-68.5	146.7	178.8	0	0	0	0	0	114.2
529	T	28.8	Very low	27.6	Very low	145 Å²	145	129.4 Å²	129.4	89%	0.89	84%	0.842	S	S	*	*			trans	-158.7	136.7	142.2	-13.8	0	0	0	0	112.6
530	T	24.6	Very low	27.5	Very low	124 Å²	124	125.4 Å²	125.4	76%	0.761	84%	0.84	S	S	*	*			trans	-75.6	142.4	179.8	-46.5	0	0	0	0	112.3
531	T	28.7	Very low	27.6	Very low	142 Å²	142	123.6 Å²	123.6	87%	0.871	84%	0.84	S	S	*	*			trans	-167.8	138.5	138.9	7.8	0	0	0	0	112.6
532	T	25	Very low	27.8	Very low	123 Å²	123	125.3 Å²	125.3	76%	0.755	84%	0.84	S	S	*	*			trans	-79.6	142.9	177.2	32.9	0	0	0	0	112.3
533	T	30.7	Very low	27.9	Very low	148 Å²	148	124.1 Å²	124.1	91%	0.908	84%	0.838	S	S	*	*			trans	-173.1	148.9	135.8	15.4	0	0	0	0	113.3
534	T	26.8	Very low	27.9	Very low	140 Å²	140	123.4 Å²	123.4	86%	0.859	83%	0.833	S	S	*	*			trans	-78.5	151.4	-174.8	47.3	0	0	0	0	114.8
535	G	29.7	Very low	28	Very low	83 Å²	83	126.1 Å²	126.1	86%	0.856	84%	0.839	S	S	*	*			trans	168.3	116.6	159.8	0	0	0	0	0	115.5
536	S	26.7	Very low	28	Very low	131 Å²	131	123.9 Å²	123.9	92%	0.916	83%	0.832	S	S	*	*			trans	-74.5	154.7	-178.1	-55	0	0	0	0	115.6
537	G	26.8	Very low	27.9	Very low	84 Å²	84	123.8 Å²	123.8	87%	0.866	83%	0.834	S	S	*	*			trans	120.5	120.7	133.6	0	0	0	0	0	118.6
538	G	28	Very low	27.8	Very low	81 Å²	81	124 Å²	124	84%	0.835	84%	0.835	S	S	*	*			trans	115.2	89.8	136.5	0	0	0	0	0	119.4
539	G	25	Very low	27.9	Very low	91 Å²	91	125.9 Å²	125.9	94%	0.938	84%	0.837	S	S	*	*				54.1	125.8	124.1	0	0	0	0	0	122.4
540	G	29.8	Very low	27.8	Very low	80 Å²	80	125 Å²	125	83%	0.825	83%	0.833	S	S	*	*			trans	174	93.2	159.7	0	0	0	0	0	113.9
541	D	27.4	Very low	28	Very low	163 Å²	163	125 Å²	125	87%	0.872	83%	0.834	S	S	*	*			trans	-63.1	145.1	177.1	-72.5	-49.2	0	0	0	114.4
542	T	31	Very low	28.1	Very low	133 Å²	133	124.2 Å²	124.2	82%	0.816	83%	0.831	S	S	*	*			trans	-151.6	99.9	143	-41.2	0	0	0	0	112.8
543	V	32	Very low	28	Very low	132 Å²	132	127.2 Å²	127.2	80%	0.8	84%	0.836	S	S	*	*			trans	52.1	115.1	135.5	-168.2	0	0	0	0	121
544	I	26.2	Very low	27.9	Very low	147 Å²	147	127.9 Å²	127.9	75%	0.754	83%	0.834	S	S	*	*			trans	-90.3	152.4	167.8	-63.4	166.1	0	0	0	110.5
545	P	31	Very low	28	Very low	121 Å²	121	127.4 Å²	127.4	79%	0.786	83%	0.83	S	S	*	*				-131.7	149.4	129.6	33.6	-20.2	0	0	0	114.9
546	L	25	Very low	28.1	Very low	144 Å²	144	127.4 Å²	127.4	75%	0.754	82%	0.817	S	S	*	*			trans	-50.8	143	-171.8	-83.8	67.5	0	0	0	117.5
547	N	28.9	Very low	28.3	Very low	167 Å²	167	127.3 Å²	127.3	89%	0.893	82%	0.815	S	S	*	*				-161.4	105.5	116.2	-114	-5.3	0	0	0	111.3
548	T	25.7	Very low	29	Very low	131 Å²	131	124.8 Å²	124.8	80%	0.804	78%	0.783	S	S	*	*			trans	-104.2	123.7	176.7	30.4	0	0	0	0	110.5
549	T	27.5	Very low	29.9	Very low	133 Å²	133	124 Å²	124	82%	0.816	76%	0.764	S	S	*	*			trans	-125.5	142.5	150.6	11.9	0	0	0	0	107.5
550	P	28.1	Very low	31.2	Very low	126 Å²	126	124.5 Å²	124.5	82%	0.818	75%	0.754	S	S	*	*			trans	-89.1	125.3	-154.5	33.3	-31.7	0	0	0	112.4
551	T	28.8	Very low	32.7	Very low	125 Å²	125	124 Å²	124	77%	0.767	74%	0.741	S	S	*	*			trans	-91.8	133.9	163.4	-35.4	0	0	0	0	107.9	Q553	T551-Q553 PolarHBondContact O-N 2.96Å
552	P	29	Very low	34.5	Very low	126 Å²	126	120.5 Å²	120.5	82%	0.818	72%	0.72	S	S	*	*			trans	-71	104	-178.7	28.1	-31.8	0	0	0	110
553	Q	24.6	Very low	35.8	Very low	185 Å²	185	116.9 Å²	116.9	86%	0.864	70%	0.696	S	S	*	*			trans	-81.3	110.3	157.7	-82.1	-175.7	-29.1	0	0	108.4	T551	T551-Q553 PolarHBondContact O-N 2.96Å
554	L	26.8	Very low	37.3	Very low	162 Å²	162	117.6 Å²	117.6	85%	0.848	69%	0.688	S	S	*	*			trans	-159	86.6	142.5	-139.5	88.2	0	0	0	109.3
555	V	30.3	Very low	39.7	Very low	130 Å²	130	117.6 Å²	117.6	79%	0.788	68%	0.678	S	S	*	*			trans	-117.7	99.1	146.2	-153.5	0	0	0	0	104	C557	V555-C557 PolarHBondContact O-N 3.17Å
556	S	31.9	Very low	41.5	Very low	84 Å²	84	112.3 Å²	112.3	59%	0.587	64%	0.643	S	S	*	*			trans	-62.5	126.1	175.7	51.8	0	0	0	0	108.8	T558	S556-T558 PolarHBondContact O-N 3.5Å
557	C	31	Very low	43.3	Very low	128 Å²	128	108.9 Å²	108.9	87%	0.865	62%	0.623	S	S	*	*			trans	-60.6	100.8	165.5	-61.7	0	0	0	0	108.6	V555 S559	V555-C557 PolarHBondContact O-N 3.17Å; C557-S559 PolarHBondContact O-N 2.98Å
558	T	40.5	Very low	45.2	Very low	31 Å²	31	105.6 Å²	105.6	19%	0.19	61%	0.606	C	S	.	*			trans	-64.1	127	162.3	34	0	0	0	0	107.5	S556 E562 I582 H586	S556-T558 PolarHBondContact O-N 3.5Å; T558-E562 HydrophobicContact CG2-CG 4.22Å; T558-I582 HydrophobicContact CG2-CG2 4.43Å; T558-H586 PolarHBondContact OG1-CD2 3.39Å; T558-H586 PolarHBondContact OG1-CE1 2.96Å; T558-H586 PolarHBondContact OG1-NE2 3.11Å
559	S	48	Very low	47.2	Very low	64 Å²	64	102 Å²	102	45%	0.448	58%	0.579	S	S	.	*			trans	-66.8	152.4	-178.9	70.7	0	0	0	0	110.5	C557 A561 E562 L563	C557-S559 PolarHBondContact O-N 2.98Å; S559-A561 PolarHBondContact O-N 3.23Å; S559-E562 WeakPolarHBondContact O-CB 3.48Å; S559-E562 PolarHBondContact O-N 2.92Å; S559-E562 PolarHBondContact OG-N 2.78Å; S559-L563 PolarHBondContact O-N 3.26Å
560	S	52.3	Low	48.7	Very low	103 Å²	103	98.4 Å²	98.4	72%	0.72	55%	0.552	S	S	*	*	H	α-helix	trans	-50.9	-27.6	172	175.5	0	0	0	0	112.9	K564	S560-K564 PolarHBondContact O-N 3.01Å; S560-K564 VanDerWaalsContact O-N 3.17Å
561	A	59.8	Low	50.1	Low	68 Å²	68	100 Å²	100	56%	0.562	55%	0.548	S	S	*	.	H	α-helix	trans	-68.3	-31.6	174.7	0	0	0	0	0	113.4	S559 K564 R565	S559-A561 PolarHBondContact O-N 3.23Å; A561-K564 PolarHBondContact O-N 2.65Å; A561-R565 WeakPolarHBondContact O-CB 3.35Å; A561-R565 PolarHBondContact O-N 2.79Å
562	E	65.4	Low	51.9	Low	90 Å²	90	100.3 Å²	100.3	42%	0.421	54%	0.541	S	S	.	.	H	α-helix	trans	-73.7	-42.4	179.5	-164	152.4	-165.5	0	0	111.4	T558 S559 K564 R565 L566	T558-E562 HydrophobicContact CG2-CG 4.22Å; S559-E562 WeakPolarHBondContact O-CB 3.48Å; S559-E562 PolarHBondContact O-N 2.92Å; S559-E562 PolarHBondContact OG-N 2.78Å; E562-K564 VanDerWaalsContact C-N 3.33Å; E562-K564 PolarHBondContact O-N 3.05Å; E562-R565 PolarHBondContact O-N 3.07Å; E562-L566 WeakPolarHBondContact O-CB 3.45Å; E562-L566 VanDerWaalsContact O-CG 3.27Å; E562-L566 WeakPolarHBondContact O-CG 3.22Å; E562-L566 PolarHBondContact O-N 3.05Å
563	L	58.5	Low	53.2	Low	58 Å²	58	97.4 Å²	97.4	30%	0.304	53%	0.534	S	S	.	.	H	α-helix	trans	-57.7	-43.7	169	-101.7	144.9	0	0	0	112	S559 L566 Q567 M583 H586	S559-L563 PolarHBondContact O-N 3.26Å; L563-L566 PolarHBondContact O-N 3.17Å; L563-Q567 PolarHBondContact O-N 3.49Å; L563-M583 HydrophobicContact CD2-CG 4.08Å; L563-M583 HydrophobicContact CD2-SD 4.4Å; L563-H586 HydrophobicContact CD1-CB 4.28Å
564	K	64.9	Low	55.1	Low	146 Å²	146	93.5 Å²	93.5	64%	0.635	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-40.9	176.4	-126.7	175.7	-175.5	178.8	0	112.6	S560 A561 E562 Q567 L568	S560-K564 PolarHBondContact O-N 3.01Å; S560-K564 VanDerWaalsContact O-N 3.17Å; A561-K564 PolarHBondContact O-N 2.65Å; E562-K564 VanDerWaalsContact C-N 3.33Å; E562-K564 PolarHBondContact O-N 3.05Å; K564-Q567 WeakPolarHBondContact O-CB 3.36Å; K564-Q567 PolarHBondContact O-N 3.09Å; K564-L568 PolarHBondContact O-N 3.49Å; K564-L568 VanDerWaalsContact O-N 3.14Å
565	R	76.6	Confident	56.9	Low	148 Å²	148	87.7 Å²	87.7	56%	0.558	49%	0.488	S	S	*	.	H	α-helix	trans	-63.9	-41.4	175.9	-179.1	-175.8	133.1	167.5	-4.2	111.5	A561 E562 L568 K569	A561-R565 WeakPolarHBondContact O-CB 3.35Å; A561-R565 PolarHBondContact O-N 2.79Å; E562-R565 PolarHBondContact O-N 3.07Å; R565-L568 PolarHBondContact O-N 3.09Å; R565-K569 PolarHBondContact O-N 2.85Å
566	L	66.9	Low	58.8	Low	10 Å²	10	84.9 Å²	84.9	5%	0.052	47%	0.472	C	S	.	.	H	α-helix	trans	-67.5	-35.5	177	-69.1	177.4	0	0	0	112	E562 L563 K569 K570 L575 E579 M583	E562-L566 WeakPolarHBondContact O-CB 3.45Å; E562-L566 VanDerWaalsContact O-CG 3.27Å; E562-L566 WeakPolarHBondContact O-CG 3.22Å; E562-L566 PolarHBondContact O-N 3.05Å; L563-L566 PolarHBondContact O-N 3.17Å; L566-K569 PolarHBondContact O-N 3.43Å; L566-K570 PolarHBondContact O-N 3.11Å; L566-L575 HydrophobicContact CB-CD1 4.48Å; L566-L575 HydrophobicContact CD2-CD1 4.38Å; L566-L575 WeakPolarHBondContact O-CD1 3.41Å; L566-E579 HydrophobicContact CD2-CB 3.81Å; L566-E579 HydrophobicContact CD2-CG 3.74Å; L566-M583 HydrophobicContact CB-CE 3.6Å; L566-M583 HydrophobicContact CB-CG 4.06Å; L566-M583 HydrophobicContact CB-SD 3.62Å; L566-M583 HydrophobicContact CD1-CG 3.77Å; L566-M583 HydrophobicContact CD1-SD 4.46Å
567	Q	63.6	Low	60.5	Low	71 Å²	71	84.2 Å²	84.2	33%	0.332	47%	0.471	S	S	.	.	H	α-helix	trans	-59.5	-49.1	171.3	-111.1	161.5	-15.4	0	0	112.6	M388 L563 K564 K569 K570 E571	M388-Q567 HydrophobicContact CG-CG 3.82Å; M388-Q567 HydrophobicContact SD-CB 4.45Å; M388-Q567 HydrophobicContact SD-CG 3.65Å; L563-Q567 PolarHBondContact O-N 3.49Å; K564-Q567 WeakPolarHBondContact O-CB 3.36Å; K564-Q567 PolarHBondContact O-N 3.09Å; Q567-K569 PolarHBondContact O-N 3.36Å; Q567-K570 WeakPolarHBondContact O-CB 3.49Å; Q567-K570 PolarHBondContact O-N 2.9Å; Q567-K570 VanDerWaalsContact O-N 3.15Å; Q567-E571 PolarHBondContact O-N 3.41Å
568	L	68.4	Low	62.2	Low	99 Å²	99	83.5 Å²	83.5	52%	0.518	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-44.4	177.2	-77.8	159.8	0	0	0	112.5	K564 R565 K570 E571 E572	K564-L568 PolarHBondContact O-N 3.49Å; K564-L568 VanDerWaalsContact O-N 3.14Å; R565-L568 PolarHBondContact O-N 3.09Å; L568-K570 PolarHBondContact O-N 3.12Å; L568-E571 PolarHBondContact O-N 3.17Å; L568-E571 VanDerWaalsContact O-N 3.13Å; L568-E572 PolarHBondContact O-N 3.09Å; L568-E572 VanDerWaalsContact O-N 3.14Å
569	K	67.7	Low	63.5	Low	55 Å²	55	83.5 Å²	83.5	24%	0.239	45%	0.453	C	S	.	.	H	α-helix	trans	-57.8	-32.4	175.8	-93.8	-172.7	155.3	-156.7	0	113	R565 L566 Q567 G573 N574 L575 E579	R565-K569 PolarHBondContact O-N 2.85Å; L566-K569 PolarHBondContact O-N 3.43Å; Q567-K569 PolarHBondContact O-N 3.36Å; K569-G573 PolarHBondContact O-N 3.18Å; K569-N574 PolarHBondContact O-N 2.84Å; K569-L575 HydrophobicContact CB-CD1 3.65Å; K569-E579 VanDerWaalsContact NZ-CD 3.32Å; K569-E579 IonicContact NZ-OE1 2.86Å; K569-E579 PolarHBondContact NZ-OE1 3.26Å; K569-E579 IonicContact NZ-OE2 2.74Å; K569-E579 PolarHBondContact NZ-OE2 3.14Å; K569-E579 VanDerWaalsContact NZ-OE2 3.1Å
570	K	59.2	Low	64.3	Low	57 Å²	57	82.9 Å²	82.9	25%	0.248	44%	0.443	C	S	.	.	H	α-helix	trans	-73.4	-41	177.2	-172.6	-178.6	172.2	-170.7	0	111.8	G347 M388 L566 Q567 L568 E572 G573 L575	G347-K570 PolarHBondContact O-NZ 3.5Å; M388-K570 HydrophobicContact CB-CD 3.89Å; M388-K570 HydrophobicContact CE-CB 4.49Å; M388-K570 HydrophobicContact CE-CD 3.38Å; M388-K570 HydrophobicContact CE-CG 4.49Å; M388-K570 HydrophobicContact CG-CD 4.41Å; M388-K570 PolarHBondContact O-NZ 3.35Å; M388-K570 HydrophobicContact SD-CB 4.05Å; M388-K570 HydrophobicContact SD-CD 3.51Å; M388-K570 VanDerWaalsContact SD-CD 3.51Å; M388-K570 HydrophobicContact SD-CG 4.41Å; L566-K570 PolarHBondContact O-N 3.11Å; Q567-K570 WeakPolarHBondContact O-CB 3.49Å; Q567-K570 PolarHBondContact O-N 2.9Å; Q567-K570 VanDerWaalsContact O-N 3.15Å; L568-K570 PolarHBondContact O-N 3.12Å; K570-E572 PolarHBondContact O-N 3.36Å; K570-G573 PolarHBondContact O-N 2.8Å; K570-L575 HydrophobicContact CB-CB 4.48Å; K570-L575 HydrophobicContact CB-CD1 4.08Å; K570-L575 HydrophobicContact CB-CD2 4.39Å
571	E	58.8	Low	64.9	Low	159 Å²	159	84.1 Å²	84.1	74%	0.743	44%	0.437	S	S	*	.	H	α-helix	trans	-58.1	-32.5	174.3	-69	175.1	177.9	0	0	111.2	Q567 L568 G573	Q567-E571 PolarHBondContact O-N 3.41Å; L568-E571 PolarHBondContact O-N 3.17Å; L568-E571 VanDerWaalsContact O-N 3.13Å; E571-G573 VanDerWaalsContact C-N 3.34Å
572	E	66	Low	65.2	Low	133 Å²	133	84.6 Å²	84.6	62%	0.621	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.2	173.5	-64.8	179	171.9	0	0	114.6	L568 K570 N574	L568-E572 PolarHBondContact O-N 3.09Å; L568-E572 VanDerWaalsContact O-N 3.14Å; K570-E572 PolarHBondContact O-N 3.36Å; E572-N574 PolarHBondContact O-N 3.14Å
573	G	56.1	Low	65.1	Low	64 Å²	64	80.5 Å²	80.5	66%	0.66	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	15.5	-179.5	0	0	0	0	0	115.7	K569 K570 E571	K569-G573 PolarHBondContact O-N 3.18Å; K570-G573 PolarHBondContact O-N 2.8Å; E571-G573 VanDerWaalsContact C-N 3.34Å
574	N	64.2	Low	65.3	Low	103 Å²	103	80.1 Å²	80.1	55%	0.551	41%	0.408	S	S	*	.			trans	-109.7	26.2	-169.9	-73.6	-30.8	0	0	0	114.3	K569 E572	K569-N574 PolarHBondContact O-N 2.84Å; E572-N574 PolarHBondContact O-N 3.14Å
575	L	64.4	Low	65.2	Low	41 Å²	41	76.8 Å²	76.8	22%	0.215	41%	0.408	C	S	.	.			trans	-85	128	-177	-143.5	81.8	0	0	0	111.8	M388 L566 K569 K570 E579 E580 M583	M388-L575 HydrophobicContact CE-CD2 4.23Å; L566-L575 HydrophobicContact CB-CD1 4.48Å; L566-L575 HydrophobicContact CD2-CD1 4.38Å; L566-L575 WeakPolarHBondContact O-CD1 3.41Å; K569-L575 HydrophobicContact CB-CD1 3.65Å; K570-L575 HydrophobicContact CB-CB 4.48Å; K570-L575 HydrophobicContact CB-CD1 4.08Å; K570-L575 HydrophobicContact CB-CD2 4.39Å; L575-E579 HydrophobicContact CD1-CB 4.49Å; L575-E579 HydrophobicContact CG-CB 4.1Å; L575-E580 HydrophobicContact CD2-CB 4.06Å; L575-E580 HydrophobicContact CD2-CG 4.42Å; L575-M583 HydrophobicContact CD1-CE 4.03Å; L575-M583 HydrophobicContact CD2-CE 3.37Å; L575-M583 HydrophobicContact CG-CE 4.29Å
576	T	71.6	Confident	64.3	Low	71 Å²	71	72.7 Å²	72.7	44%	0.436	40%	0.395	S	S	.	.			trans	-82.4	160.3	175.5	73.1	0	0	0	0	111.9	E578 E579 E580	T576-E578 VanDerWaalsContact C-N 3.27Å; T576-E578 PolarHBondContact O-N 3.19Å; T576-E579 PolarHBondContact N-OE2 3.39Å; T576-E579 PolarHBondContact O-N 2.77Å; T576-E579 WeakPolarHBondContact OG1-CG 3.11Å; T576-E579 PolarHBondContact OG1-N 3.44Å; T576-E579 PolarHBondContact OG1-OE2 2.77Å; T576-E580 PolarHBondContact O-N 3.23Å
577	A	66.6	Low	63.6	Low	70 Å²	70	74.8 Å²	74.8	58%	0.579	40%	0.402	S	S	*	.	H	α-helix	trans	-61.2	-32.4	179.6	0	0	0	0	0	113.5	Q581	A577-Q581 PolarHBondContact O-N 2.74Å
578	E	67.2	Low	63.2	Low	112 Å²	112	78.5 Å²	78.5	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-72.4	-39.7	174.9	-82.7	176.1	177.8	0	0	112.1	T576 E580 Q581 I582 K1187	T576-E578 VanDerWaalsContact C-N 3.27Å; T576-E578 PolarHBondContact O-N 3.19Å; E578-E580 VanDerWaalsContact C-N 3.32Å; E578-E580 PolarHBondContact O-N 2.96Å; E578-Q581 WeakPolarHBondContact O-CB 3.21Å; E578-Q581 PolarHBondContact O-N 2.89Å; E578-I582 WeakPolarHBondContact O-CG1 3.4Å; E578-I582 PolarHBondContact O-N 2.77Å; E578-K1187 IonicContact OE1-NZ 3.59Å; E578-K1187 PolarHBondContact OE1-NZ 2.87Å
579	E	68.4	Low	62.6	Low	31 Å²	31	77.7 Å²	77.7	15%	0.145	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-36.7	175.7	-75.5	178.2	152.3	0	0	111.9	L566 K569 L575 T576 M583	L566-E579 HydrophobicContact CD2-CB 3.81Å; L566-E579 HydrophobicContact CD2-CG 3.74Å; K569-E579 VanDerWaalsContact NZ-CD 3.32Å; K569-E579 IonicContact NZ-OE1 2.86Å; K569-E579 PolarHBondContact NZ-OE1 3.26Å; K569-E579 IonicContact NZ-OE2 2.74Å; K569-E579 PolarHBondContact NZ-OE2 3.14Å; K569-E579 VanDerWaalsContact NZ-OE2 3.1Å; L575-E579 HydrophobicContact CD1-CB 4.49Å; L575-E579 HydrophobicContact CG-CB 4.1Å; T576-E579 PolarHBondContact N-OE2 3.39Å; T576-E579 PolarHBondContact O-N 2.77Å; T576-E579 WeakPolarHBondContact OG1-CG 3.11Å; T576-E579 PolarHBondContact OG1-N 3.44Å; T576-E579 PolarHBondContact OG1-OE2 2.77Å; E579-M583 PolarHBondContact O-N 3.18Å; E579-M583 VanDerWaalsContact O-N 3.16Å
580	E	63.4	Low	62	Low	51 Å²	51	77 Å²	77	24%	0.238	41%	0.41	C	S	.	.	H	α-helix	trans	-64.5	-40.4	172.4	-163.2	179.8	-171.4	0	0	111.7	R344 F346 L575 T576 E578 M583 M584	R344-E580 IonicContact NH1-OE1 3.88Å; F346-E580 HydrophobicContact CD1-CG 4.45Å; L575-E580 HydrophobicContact CD2-CB 4.06Å; L575-E580 HydrophobicContact CD2-CG 4.42Å; T576-E580 PolarHBondContact O-N 3.23Å; E578-E580 VanDerWaalsContact C-N 3.32Å; E578-E580 PolarHBondContact O-N 2.96Å; E580-M583 PolarHBondContact O-N 3.08Å; E580-M584 HydrophobicContact CG-CE 4.46Å; E580-M584 PolarHBondContact O-N 3.21Å
581	Q	65	Low	62	Low	130 Å²	130	74.5 Å²	74.5	61%	0.607	40%	0.401	S	S	*	.	H	α-helix	trans	-68.5	-38.3	179.5	-132.4	161.5	15.9	0	0	112.7	A577 E578 M584 A585	A577-Q581 PolarHBondContact O-N 2.74Å; E578-Q581 WeakPolarHBondContact O-CB 3.21Å; E578-Q581 PolarHBondContact O-N 2.89Å; Q581-M584 PolarHBondContact O-N 2.74Å; Q581-A585 WeakPolarHBondContact O-CB 3.32Å; Q581-A585 PolarHBondContact O-N 3.03Å
582	I	66.3	Low	62.5	Low	77 Å²	77	68 Å²	68	40%	0.395	38%	0.375	S	S	.	.	H	α-helix	trans	-63.5	-43.1	173.7	-68.5	165.4	0	0	0	110.3	T558 E578 A585 H586	T558-I582 HydrophobicContact CG2-CG2 4.43Å; E578-I582 WeakPolarHBondContact O-CG1 3.4Å; E578-I582 PolarHBondContact O-N 2.77Å; I582-A585 PolarHBondContact O-N 3.27Å; I582-H586 PolarHBondContact O-CD2 2.98Å; I582-H586 PolarHBondContact O-N 3.44Å; I582-H586 VanDerWaalsContact O-N 3.16Å
583	M	63.9	Low	62.8	Low	4 Å²	4	62.1 Å²	62.1	2%	0.02	35%	0.348	C	S	.	.	H	α-helix	trans	-66.3	-38.7	176.5	-93.7	-162.3	-67.4	0	0	113.3	F346 M388 L563 L566 L575 E579 E580 A585 H586 Y587	F346-M583 HydrophobicContact CE1-CB 3.98Å; F346-M583 HydrophobicContact CZ-CB 3.77Å; F346-M583 HydrophobicContact CZ-SD 4.48Å; M388-M583 HydrophobicContact CE-CE 3Å; M388-M583 HydrophobicContact CE-SD 3.5Å; M388-M583 VanDerWaalsContact CE-SD 3.5Å; M388-M583 HydrophobicContact SD-CE 3.61Å; M388-M583 HydrophobicContact SD-SD 3.6Å; M388-M583 VanDerWaalsContact SD-SD 3.6Å; L563-M583 HydrophobicContact CD2-CG 4.08Å; L563-M583 HydrophobicContact CD2-SD 4.4Å; L566-M583 HydrophobicContact CB-CE 3.6Å; L566-M583 HydrophobicContact CB-CG 4.06Å; L566-M583 HydrophobicContact CB-SD 3.62Å; L566-M583 HydrophobicContact CD1-CG 3.77Å; L566-M583 HydrophobicContact CD1-SD 4.46Å; L575-M583 HydrophobicContact CD1-CE 4.03Å; L575-M583 HydrophobicContact CD2-CE 3.37Å; L575-M583 HydrophobicContact CG-CE 4.29Å; E579-M583 PolarHBondContact O-N 3.18Å; E579-M583 VanDerWaalsContact O-N 3.16Å; E580-M583 PolarHBondContact O-N 3.08Å; M583-A585 VanDerWaalsContact C-N 3.33Å; M583-A585 PolarHBondContact O-N 3.39Å; M583-H586 CarbonylContact O-C 3.54Å; M583-H586 PolarHBondContact O-N 3.34Å; M583-Y587 PolarHBondContact O-N 2.73Å
584	M	62.8	Low	63.4	Low	50 Å²	50	61.5 Å²	61.5	25%	0.246	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-41.9	172.6	-80.4	179.8	-175	0	0	111.9	F346 E580 Q581 H586 Y587 V664	F346-M584 HydrophobicContact CB-CE 3.64Å; F346-M584 HydrophobicContact CB-CG 4.09Å; F346-M584 HydrophobicContact CD1-CE 4.03Å; F346-M584 HydrophobicContact CD1-CG 3.8Å; F346-M584 HydrophobicContact CD2-CG 4.34Å; F346-M584 HydrophobicContact CE1-CG 4.31Å; F346-M584 HydrophobicContact CG-CE 4.16Å; F346-M584 HydrophobicContact CG-CG 3.82Å; E580-M584 HydrophobicContact CG-CE 4.46Å; E580-M584 PolarHBondContact O-N 3.21Å; Q581-M584 PolarHBondContact O-N 2.74Å; M584-H586 PolarHBondContact O-N 2.89Å; M584-Y587 WeakPolarHBondContact O-CB 3.31Å; M584-Y587 PolarHBondContact O-N 2.91Å; M584-V664 HydrophobicContact CE-CB 4.41Å; M584-V664 HydrophobicContact CE-CG2 4.47Å; M584-V664 HydrophobicContact SD-CB 4.43Å; M584-V664 HydrophobicContact SD-CG1 4.5Å; M584-V664 HydrophobicContact SD-CG2 4.22Å
585	A	61.4	Low	64	Low	77 Å²	77	57.5 Å²	57.5	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-65	-27.3	179.2	0	0	0	0	0	113.1	Q581 I582 M583	Q581-A585 WeakPolarHBondContact O-CB 3.32Å; Q581-A585 PolarHBondContact O-N 3.03Å; I582-A585 PolarHBondContact O-N 3.27Å; M583-A585 VanDerWaalsContact C-N 3.33Å; M583-A585 PolarHBondContact O-N 3.39Å
586	H	58.6	Low	65.1	Low	61 Å²	61	55.8 Å²	55.8	28%	0.282	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	2.4	177	-70.7	-61	0	0	0	114.2	T558 L563 I582 M583 M584 H588	T558-H586 PolarHBondContact OG1-CD2 3.39Å; T558-H586 PolarHBondContact OG1-CE1 2.96Å; T558-H586 PolarHBondContact OG1-NE2 3.11Å; L563-H586 HydrophobicContact CD1-CB 4.28Å; I582-H586 PolarHBondContact O-CD2 2.98Å; I582-H586 PolarHBondContact O-N 3.44Å; I582-H586 VanDerWaalsContact O-N 3.16Å; M583-H586 CarbonylContact O-C 3.54Å; M583-H586 PolarHBondContact O-N 3.34Å; M584-H586 PolarHBondContact O-N 2.89Å; H586-H588 PolarHBondContact O-N 2.85Å
587	Y	53.4	Low	66.1	Low	54 Å²	54	52.9 Å²	52.9	21%	0.212	29%	0.286	C	S	.	.			trans	-66.8	120.9	175	-178	-103.4	0	0	0	109.6	F346 H384 G385 K386 A387 M583 M584	F346-Y587 HydrophobicContact CD2-CD2 4.24Å; F346-Y587 HydrophobicContact CD2-CG 4.44Å; F346-Y587 AromaticContact CE2-CD2 3.88Å; F346-Y587 HydrophobicContact CE2-CD2 3.88Å; F346-Y587 HydrophobicContact CE2-CG 4.29Å; H384-Y587 PolarHBondContact CE1-OH 3.11Å; H384-Y587 PolarHBondContact NE2-OH 3.34Å; G385-Y587 VanDerWaalsContact O-CE2 3.23Å; G385-Y587 WeakPolarHBondContact O-CE2 3.15Å; G385-Y587 PolarHBondContact O-OH 3.13Å; K386-Y587 HydrophobicContact CB-CE2 4.11Å; A387-Y587 HydrophobicContact CB-CD2 4.4Å; A387-Y587 HydrophobicContact CB-CE2 3.73Å; M583-Y587 PolarHBondContact O-N 2.73Å; M584-Y587 WeakPolarHBondContact O-CB 3.31Å; M584-Y587 PolarHBondContact O-N 2.91Å
588	H	54.8	Low	67.2	Low	150 Å²	150	49.6 Å²	49.6	69%	0.694	26%	0.259	S	S	*	.			trans	-117.1	120.2	168.8	-84.2	37.8	0	0	0	107.8	H586	H586-H588 PolarHBondContact O-N 2.85Å
589	Y	55	Low	68.3	Low	82 Å²	82	45.2 Å²	45.2	32%	0.322	24%	0.239	S	C	.	.			trans	-63.6	134.4	172	177.2	-88.8	0	0	0	108.9	E418 P504	E418-Y589 WeakPolarHBondContact OE1-CE2 3.48Å; E418-Y589 PolarHBondContact OE1-OH 3.45Å; E418-Y589 PolarHBondContact OE2-OH 3.16Å; P504-Y589 HydrophobicContact CB-CE1 4.35Å; P504-Y589 HydrophobicContact CG-CD1 3.52Å; P504-Y589 HydrophobicContact CG-CE1 3.53Å
590	T	55.8	Low	69.4	Low	39 Å²	39	43.7 Å²	43.7	24%	0.239	23%	0.232	C	C	.	.			trans	-107.5	124.9	173.3	43.2	0	0	0	0	108.4	K386 H420	K386-T590 HydrophobicContact CD-CG2 4.39Å; H420-T590 PolarHBondContact CE1-O 2.73Å
591	G	58.1	Low	70.9	Confident	6 Å²	6	41.3 Å²	41.3	6%	0.062	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71.8	161.4	178.7	0	0	0	0	0	113.6	H420 E502	H420-G591 VanDerWaalsContact CE1-C 3.47Å; E502-G591 WeakPolarHBondContact O-CA 3.39Å; E502-G591 PolarHBondContact O-N 3.39Å
592	A	70.5	Confident	72.2	Confident	23 Å²	23	36.6 Å²	36.6	19%	0.19	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-57.6	151.7	-177	0	0	0	0	0	113.2	E418 N419 H420	E418-A592 HydrophobicContact CG-CB 4.28Å; N419-A592 WeakPolarHBondContact O-CA 3.34Å; N419-A592 WeakPolarHBondContact O-CB 2.87Å; H420-A592 VanDerWaalsContact CE1-CA 3.47Å; H420-A592 WeakPolarHBondContact CE1-CA 3.2Å; H420-A592 PolarHBondContact CE1-N 3.41Å
593	T	71	Confident	73.6	Confident	9 Å²	9	33.1 Å²	33.1	6%	0.055	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-57.6	146.8	176.7	-177.2	0	0	0	0	111.5	N419 K472 S595	N419-T593 VanDerWaalsContact O-CG2 3.29Å; N419-T593 WeakPolarHBondContact O-CG2 3.37Å; N419-T593 PolarHBondContact O-N 2.76Å; K472-T593 WeakPolarHBondContact CD-O 3.31Å; K472-T593 WeakPolarHBondContact CE-O 3.48Å; K472-T593 PolarHBondContact NZ-O 3.49Å; T593-S595 WeakPolarHBondContact CG2-O 3.47Å; T593-S595 PolarHBondContact OG1-N 2.75Å
594	S	69.7	Low	75.1	Confident	50 Å²	50	33 Å²	33	35%	0.35	18%	0.184	S	C	.	.	S	Bend	trans	-81.3	-22.8	173.9	48.7	0	0	0	0	112.8	V500	V500-S594 VanDerWaalsContact O-CB 3.31Å; V500-S594 WeakPolarHBondContact O-CB 3.31Å; V500-S594 PolarHBondContact O-OG 2.64Å
595	S	77.2	Confident	76.6	Confident	20 Å²	20	30.8 Å²	30.8	14%	0.14	17%	0.172	C	C	.	.			trans	-89.4	136.2	-179.5	103.4	0	0	0	0	111.3	K423 Q426 T593	K423-S595 WeakPolarHBondContact CE-OG 3.45Å; Q426-S595 PolarHBondContact NE2-O 2.94Å; Q426-S595 VanDerWaalsContact NE2-O 3.07Å; T593-S595 WeakPolarHBondContact CG2-O 3.47Å; T593-S595 PolarHBondContact OG1-N 2.75Å
596	I	87.6	Confident	78.3	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.143	C	C	.	.			trans	-126.2	142	174.4	-165.7	173	0	0	0	111.8	Q426 N471 K472 L474 L600	Q426-I596 VanDerWaalsContact OE1-CA 3.27Å; N471-I596 HydrophobicContact CB-CD1 4.36Å; K472-I596 HydrophobicContact CB-CD1 4.47Å; K472-I596 WeakPolarHBondContact O-CD1 3.41Å; L474-I596 HydrophobicContact CD1-CG2 4.4Å; L474-I596 HydrophobicContact CD2-CG2 3.95Å; L474-I596 HydrophobicContact CG-CG2 3.66Å; I596-L600 HydrophobicContact CD1-CB 4.34Å; I596-L600 HydrophobicContact CD1-CD2 4.4Å; I596-L600 HydrophobicContact CD1-CG 4.21Å; I596-L600 HydrophobicContact CG1-CB 4.3Å; I596-L600 HydrophobicContact CG1-CD2 4.42Å
597	H	90.9	Very high	80.1	Confident	11 Å²	11	24.4 Å²	24.4	5%	0.051	13%	0.13	C	C	.	.			trans	-67.9	135.4	172.9	-170.6	-83.4	0	0	0	110.9	K423 Q426 Y427 F486 L599 L600 S601	K423-H597 PolarHBondContact O-CD2 2.95Å; Q426-H597 HydrophobicContact CB-CB 3.79Å; Y427-H597 AromaticContact CD2-CE1 3.77Å; F486-H597 AromaticContact CD2-NE2 3.9Å; F486-H597 AromaticContact CE2-CE1 3.99Å; F486-H597 AromaticContact CE2-NE2 3.81Å; H597-L599 VanDerWaalsContact C-N 3.31Å; H597-L599 WeakPolarHBondContact ND1-CB 2.92Å; H597-L599 PolarHBondContact ND1-N 2.95Å; H597-L599 PolarHBondContact O-N 3.11Å; H597-L600 HydrophobicContact CB-CB 4.49Å; H597-L600 PolarHBondContact O-N 2.85Å; H597-S601 PolarHBondContact O-N 3.16Å
598	P	89.7	Confident	82.1	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-36.5	-174.3	22.1	-34.9	0	0	0	113.9	L474 Q482 L483 I494 S601 S602	L474-P598 HydrophobicContact CD1-CB 4.19Å; Q482-P598 HydrophobicContact CB-CB 3.87Å; Q482-P598 HydrophobicContact CB-CG 3.97Å; L483-P598 HydrophobicContact CB-CB 4.23Å; L483-P598 HydrophobicContact CD1-CB 4.1Å; I494-P598 HydrophobicContact CD1-CG 4.41Å; I494-P598 HydrophobicContact CG2-CG 4.28Å; P598-S601 WeakPolarHBondContact O-CB 3.46Å; P598-S601 PolarHBondContact O-N 2.97Å; P598-S602 PolarHBondContact O-N 2.91Å
599	L	91	Very high	84	Confident	20 Å²	20	17.4 Å²	17.4	11%	0.105	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-44.2	175.6	-174.5	62.6	0	0	0	112.2	Y427 A430 L483 H597 S602 F603	Y427-L599 HydrophobicContact CD2-CD2 3.96Å; Y427-L599 HydrophobicContact CE2-CD2 3.86Å; A430-L599 HydrophobicContact CB-CB 4.31Å; A430-L599 HydrophobicContact CB-CD2 3.88Å; A430-L599 HydrophobicContact CB-CG 3.91Å; L483-L599 HydrophobicContact CD1-CB 4.4Å; L483-L599 HydrophobicContact CD1-CD1 4.46Å; H597-L599 VanDerWaalsContact C-N 3.31Å; H597-L599 WeakPolarHBondContact ND1-CB 2.92Å; H597-L599 PolarHBondContact ND1-N 2.95Å; H597-L599 PolarHBondContact O-N 3.11Å; L599-S602 PolarHBondContact O-N 3.45Å; L599-S602 PolarHBondContact O-OG 2.65Å; L599-F603 HydrophobicContact CD1-CE1 4.12Å; L599-F603 HydrophobicContact CD1-CZ 3.97Å; L599-F603 HydrophobicContact CG-CZ 4.02Å
600	L	92.4	Very high	85.8	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.6	-38.2	179.3	-171.1	57.9	0	0	0	111.2	Q426 L429 A430 N471 I596 H597 S602 F603	Q426-L600 HydrophobicContact CB-CD2 4.35Å; L429-L600 HydrophobicContact CD1-CD2 4.39Å; A430-L600 HydrophobicContact CB-CB 4.1Å; A430-L600 HydrophobicContact CB-CD1 4.14Å; N471-L600 WeakPolarHBondContact ND2-CD2 3.39Å; I596-L600 HydrophobicContact CD1-CB 4.34Å; I596-L600 HydrophobicContact CD1-CD2 4.4Å; I596-L600 HydrophobicContact CD1-CG 4.21Å; I596-L600 HydrophobicContact CG1-CB 4.3Å; I596-L600 HydrophobicContact CG1-CD2 4.42Å; H597-L600 HydrophobicContact CB-CB 4.49Å; H597-L600 PolarHBondContact O-N 2.85Å; L600-S602 VanDerWaalsContact C-N 3.29Å; L600-S602 PolarHBondContact O-N 2.96Å; L600-F603 HydrophobicContact CD1-CD2 4.42Å; L600-F603 PolarHBondContact O-N 3.43Å
601	S	93.5	Very high	87.5	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.5	-42.4	172.3	-176.6	0	0	0	0	112	R473 L474 E479 H597 P598 F603 V604	R473-S601 VanDerWaalsContact CG-OG 3.28Å; R473-S601 WeakPolarHBondContact CG-OG 3.37Å; L474-S601 PolarHBondContact N-OG 2.87Å; E479-S601 WeakPolarHBondContact OE2-CB 3.5Å; E479-S601 PolarHBondContact OE2-OG 3.24Å; H597-S601 PolarHBondContact O-N 3.16Å; P598-S601 WeakPolarHBondContact O-CB 3.46Å; P598-S601 PolarHBondContact O-N 2.97Å; S601-F603 PolarHBondContact O-N 2.67Å; S601-F603 VanDerWaalsContact O-N 3.08Å; S601-V604 WeakPolarHBondContact O-CB 3.47Å; S601-V604 PolarHBondContact O-N 2.66Å
602	S	92.9	Very high	89.3	Confident	31 Å²	31	22.8 Å²	22.8	22%	0.217	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-18.3	-177.3	77.8	0	0	0	0	114.5	E479 P598 L599 L600	E479-S602 PolarHBondContact OE2-N 3.34Å; P598-S602 PolarHBondContact O-N 2.91Å; L599-S602 PolarHBondContact O-N 3.45Å; L599-S602 PolarHBondContact O-OG 2.65Å; L600-S602 VanDerWaalsContact C-N 3.29Å; L600-S602 PolarHBondContact O-N 2.96Å
603	F	95.2	Very high	90.4	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.022	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.7	177.4	-57.4	-21.2	0	0	0	113.3	A430 E434 L441 T443 I469 L599 L600 S601	A430-F603 HydrophobicContact CB-CE2 3.89Å; E434-F603 HydrophobicContact CB-CE2 4.34Å; E434-F603 HydrophobicContact CB-CZ 4.02Å; E434-F603 HydrophobicContact CG-CZ 4.46Å; L441-F603 HydrophobicContact CD2-CD2 3.97Å; L441-F603 HydrophobicContact CD2-CE2 4.06Å; L441-F603 HydrophobicContact CD2-CG 4.26Å; L441-F603 HydrophobicContact CD2-CZ 4.44Å; T443-F603 HydrophobicContact CG2-CD1 3.82Å; T443-F603 HydrophobicContact CG2-CE1 3.9Å; I469-F603 HydrophobicContact CD1-CB 3.98Å; I469-F603 HydrophobicContact CD1-CD2 4.07Å; L599-F603 HydrophobicContact CD1-CE1 4.12Å; L599-F603 HydrophobicContact CD1-CZ 3.97Å; L599-F603 HydrophobicContact CG-CZ 4.02Å; L600-F603 HydrophobicContact CD1-CD2 4.42Å; L600-F603 PolarHBondContact O-N 3.43Å; S601-F603 PolarHBondContact O-N 2.67Å; S601-F603 VanDerWaalsContact O-N 3.08Å
604	V	95.7	Very high	91.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.155	C	C	.	.			trans	-85.8	122.8	-179.8	-176.7	0	0	0	0	110	I469 N471 R473 S601 Q608	I469-V604 HydrophobicContact CG2-CG2 4.22Å; N471-V604 HydrophobicContact CB-CG2 3.97Å; N471-V604 WeakPolarHBondContact O-CG1 3.48Å; R473-V604 HydrophobicContact CB-CB 4.28Å; R473-V604 HydrophobicContact CB-CG1 4.25Å; R473-V604 HydrophobicContact CG-CB 4.23Å; R473-V604 PolarHBondContact NE-O 3.24Å; S601-V604 WeakPolarHBondContact O-CB 3.47Å; S601-V604 PolarHBondContact O-N 2.66Å; V604-Q608 HydrophobicContact CG1-CB 3.95Å; V604-Q608 HydrophobicContact CG1-CG 4.19Å
605	N	94.8	Very high	92.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	14%	0.14	C	C	.	.			trans	-131.2	-92.4	-179.8	44.7	54	0	0	0	112.7	L442 L451 A607	L442-N605 PolarHBondContact O-ND2 2.98Å; L451-N605 HydrophobicContact CD1-CB 4.24Å; L451-N605 HydrophobicContact CD2-CB 4.39Å; N605-A607 VanDerWaalsContact C-N 3.29Å; N605-A607 PolarHBondContact O-N 2.98Å
606	Y	97.2	Very high	93.8	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.012	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.3	-170.8	-57	-65.6	0	0	0	114.7	L442 L446 Y449 L451 L457 P458 L468 M654	L442-Y606 HydrophobicContact CD2-CD2 3.77Å; L442-Y606 HydrophobicContact CD2-CE2 3.79Å; L446-Y606 PolarHBondContact N-OH 3.4Å; Y449-Y606 VanDerWaalsContact CB-OH 3.23Å; Y449-Y606 WeakPolarHBondContact CB-OH 3.46Å; Y449-Y606 VanDerWaalsContact O-CE1 3.27Å; Y449-Y606 WeakPolarHBondContact O-CE1 3.44Å; Y449-Y606 PolarHBondContact O-OH 3.02Å; L451-Y606 HydrophobicContact CD2-CD1 3.9Å; L451-Y606 HydrophobicContact CD2-CE1 3.86Å; L457-Y606 HydrophobicContact CD2-CD1 4.23Å; L457-Y606 HydrophobicContact CD2-CG 4.47Å; L457-Y606 WeakPolarHBondContact CD2-O 3.26Å; P458-Y606 VanDerWaalsContact CD-CD1 3.43Å; P458-Y606 HydrophobicContact CG-CD1 3.95Å; P458-Y606 HydrophobicContact CG-CD2 3.76Å; P458-Y606 HydrophobicContact CG-CE1 3.9Å; P458-Y606 HydrophobicContact CG-CE2 3.69Å; P458-Y606 HydrophobicContact CG-CG 3.86Å; L468-Y606 HydrophobicContact CD2-CD2 4.25Å; Y606-M654 WeakPolarHBondContact O-CE 3.48Å
607	A	95.1	Very high	94.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	48	179.8	0	0	0	0	0	110.8	I414 K470 N605 P609 M654	I414-A607 HydrophobicContact CG2-CB 4.35Å; K470-A607 WeakPolarHBondContact CA-O 3.27Å; K470-A607 HydrophobicContact CB-CB 4.04Å; K470-A607 WeakPolarHBondContact CB-O 3.33Å; N605-A607 VanDerWaalsContact C-N 3.29Å; N605-A607 PolarHBondContact O-N 2.98Å; A607-P609 VanDerWaalsContact O-CD 3.24Å; A607-P609 WeakPolarHBondContact O-CD 3.34Å; A607-M654 HydrophobicContact CB-CE 4.32Å
608	Q	95.9	Very high	94.5	Very high	27 Å²	27	33.5 Å²	33.5	13%	0.126	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	108.6	-176.4	-176.6	177.1	-38	0	0	111	R473 V604 V610 H625 H626 M627	R473-Q608 HydrophobicContact CB-CG 4.08Å; V604-Q608 HydrophobicContact CG1-CB 3.95Å; V604-Q608 HydrophobicContact CG1-CG 4.19Å; Q608-V610 HydrophobicContact CG-CG1 4.49Å; Q608-H625 PolarHBondContact N-O 3.43Å; Q608-H625 VanDerWaalsContact N-O 3.1Å; Q608-H626 PolarHBondContact NE2-NE2 3.46Å; Q608-H626 CarbonylContact O-C 3.59Å; Q608-H626 WeakPolarHBondContact O-CA 3.26Å; Q608-M627 PolarHBondContact O-N 3.1Å
609	P	94.4	Very high	94.7	Very high	31 Å²	31	38.2 Å²	38.2	20%	0.201	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.8	177.7	31.7	-30.4	0	0	0	110.9	K470 N471 A607 M627	K470-P609 HydrophobicContact CG-CB 4.29Å; K470-P609 HydrophobicContact CG-CG 4.05Å; N471-P609 VanDerWaalsContact C-CG 3.48Å; N471-P609 WeakPolarHBondContact O-CD 3.44Å; N471-P609 VanDerWaalsContact O-CG 3.31Å; N471-P609 WeakPolarHBondContact O-CG 3.39Å; A607-P609 VanDerWaalsContact O-CD 3.24Å; A607-P609 WeakPolarHBondContact O-CD 3.34Å; P609-M627 CarbonylContact C-O 3.39Å; P609-M627 VanDerWaalsContact CA-O 3.28Å; P609-M627 WeakPolarHBondContact CA-O 3.03Å; P609-M627 HydrophobicContact CB-SD 3.79Å
610	V	93.8	Very high	94.9	Very high	50 Å²	50	43.8 Å²	43.8	30%	0.303	23%	0.227	S	C	.	.			trans	-128.3	151	174.2	-60.9	0	0	0	0	111	Q608 F612 H626 M627 S628	Q608-V610 HydrophobicContact CG-CG1 4.49Å; V610-F612 PolarHBondContact O-N 3.03Å; V610-H626 HydrophobicContact CG1-CB 4.24Å; V610-H626 HydrophobicContact CG2-CB 3.85Å; V610-M627 PolarHBondContact N-O 3.17Å; V610-S628 PolarHBondContact O-OG 3.05Å; V610-S628 VanDerWaalsContact O-OG 3.06Å
611	K	91.8	Very high	95.1	Very high	141 Å²	141	49.3 Å²	49.3	61%	0.613	25%	0.253	S	S	*	.			trans	-63.4	125.9	173.7	-172.4	173.5	-178.1	174	0	109.1	Q613	K611-Q613 PolarHBondContact O-N 2.74Å
612	F	95.4	Very high	95.2	Very high	48 Å²	48	52.1 Å²	52.1	21%	0.211	27%	0.269	C	S	.	.			trans	-74.9	123.7	179.1	-174.8	-105	0	0	0	110.1	V610 G614 F615 F630 L638 Y649	V610-F612 PolarHBondContact O-N 3.03Å; F612-G614 VanDerWaalsContact CZ-C 3.5Å; F612-F615 AromaticContact CE2-CD1 3.84Å; F612-F615 HydrophobicContact CE2-CD1 3.84Å; F612-F615 AromaticContact CE2-CE1 3.94Å; F612-F615 HydrophobicContact CE2-CE1 3.94Å; F612-F615 HydrophobicContact CE2-CG 4.47Å; F612-F615 AromaticContact CZ-CD1 3.52Å; F612-F615 HydrophobicContact CZ-CD1 3.52Å; F612-F615 HydrophobicContact CZ-CD2 4.12Å; F612-F615 AromaticContact CZ-CE1 3.56Å; F612-F615 HydrophobicContact CZ-CE1 3.56Å; F612-F615 HydrophobicContact CZ-CE2 4.17Å; F612-F615 AromaticContact CZ-CG 3.81Å; F612-F615 HydrophobicContact CZ-CG 3.81Å; F612-F615 AromaticContact CZ-CZ 3.9Å; F612-F615 HydrophobicContact CZ-CZ 3.9Å; F612-F630 HydrophobicContact CB-CE1 3.75Å; F612-F630 HydrophobicContact CB-CZ 4.05Å; F612-F630 AromaticContact CD1-CE1 3.66Å; F612-F630 HydrophobicContact CD1-CE1 3.66Å; F612-F630 HydrophobicContact CD1-CZ 4.15Å; F612-F630 HydrophobicContact CD2-CE1 4.04Å; F612-F630 AromaticContact CD2-CZ 3.68Å; F612-F630 HydrophobicContact CD2-CZ 3.68Å; F612-F630 HydrophobicContact CE1-CE1 4.23Å; F612-F630 HydrophobicContact CE2-CZ 4.13Å; F612-F630 AromaticContact CG-CE1 3.54Å; F612-F630 HydrophobicContact CG-CE1 3.54Å; F612-F630 AromaticContact CG-CZ 3.69Å; F612-F630 HydrophobicContact CG-CZ 3.69Å; F612-L638 HydrophobicContact CE1-CD1 4.15Å; F612-L638 HydrophobicContact CE1-CD2 4.06Å; F612-Y649 HydrophobicContact CD2-CE2 4.44Å; F612-Y649 HydrophobicContact CE2-CD2 4.33Å; F612-Y649 HydrophobicContact CE2-CE2 4.13Å
613	Q	94	Very high	95.4	Very high	158 Å²	158	51.7 Å²	51.7	74%	0.738	26%	0.263	S	S	*	.			trans	-105.9	-27.3	-179.1	-66.8	179	59.8	0	0	112.7	K611 V617	K611-Q613 PolarHBondContact O-N 2.74Å; Q613-V617 HydrophobicContact CB-CB 4.31Å; Q613-V617 HydrophobicContact CB-CG1 4.23Å; Q613-V617 HydrophobicContact CB-CG2 4.32Å
614	G	95.1	Very high	95.4	Very high	11 Å²	11	52.5 Å²	52.5	11%	0.113	27%	0.267	C	S	.	.			trans	162.2	156.8	-175.5	0	0	0	0	0	110.3	F612 D616 A618	F612-G614 VanDerWaalsContact CZ-C 3.5Å; G614-D616 WeakPolarHBondContact CA-OD1 3.45Å; G614-A618 WeakPolarHBondContact O-CB 3.24Å; G614-A618 PolarHBondContact O-N 3.41Å
615	F	97	Very high	95.5	Very high	10 Å²	10	53.2 Å²	53.2	4%	0.044	27%	0.27	C	S	.	.	H	α-helix	trans	-70.6	-35.8	177.3	-70.1	-60.6	0	0	0	112.2	F612 A618 E619 L638 Q642 E645 F646 Y649	F612-F615 AromaticContact CE2-CD1 3.84Å; F612-F615 HydrophobicContact CE2-CD1 3.84Å; F612-F615 AromaticContact CE2-CE1 3.94Å; F612-F615 HydrophobicContact CE2-CE1 3.94Å; F612-F615 HydrophobicContact CE2-CG 4.47Å; F612-F615 AromaticContact CZ-CD1 3.52Å; F612-F615 HydrophobicContact CZ-CD1 3.52Å; F612-F615 HydrophobicContact CZ-CD2 4.12Å; F612-F615 AromaticContact CZ-CE1 3.56Å; F612-F615 HydrophobicContact CZ-CE1 3.56Å; F612-F615 HydrophobicContact CZ-CE2 4.17Å; F612-F615 AromaticContact CZ-CG 3.81Å; F612-F615 HydrophobicContact CZ-CG 3.81Å; F612-F615 AromaticContact CZ-CZ 3.9Å; F612-F615 HydrophobicContact CZ-CZ 3.9Å; F615-A618 PolarHBondContact O-N 2.85Å; F615-E619 WeakPolarHBondContact O-CB 3.45Å; F615-E619 PolarHBondContact O-N 2.84Å; F615-L638 HydrophobicContact CE2-CB 4.35Å; F615-L638 HydrophobicContact CE2-CD2 3.93Å; F615-L638 HydrophobicContact CZ-CB 4.25Å; F615-L638 HydrophobicContact CZ-CD1 4.16Å; F615-L638 HydrophobicContact CZ-CD2 4.25Å; F615-L638 HydrophobicContact CZ-CG 4.46Å; F615-Q642 HydrophobicContact CD2-CB 3.99Å; F615-Q642 HydrophobicContact CE2-CB 3.76Å; F615-E645 HydrophobicContact CB-CB 3.9Å; F615-E645 HydrophobicContact CD2-CB 3.58Å; F615-E645 HydrophobicContact CE2-CB 4.22Å; F615-E645 HydrophobicContact CG-CB 3.75Å; F615-F646 HydrophobicContact CE1-CB 4.03Å; F615-F646 AromaticContact CE1-CD2 3.63Å; F615-F646 HydrophobicContact CE1-CD2 3.63Å; F615-F646 HydrophobicContact CE1-CE2 4.34Å; F615-F646 HydrophobicContact CE1-CG 4.01Å; F615-F646 HydrophobicContact CE2-CB 4.25Å; F615-F646 HydrophobicContact CZ-CB 3.56Å; F615-F646 HydrophobicContact CZ-CD1 4.28Å; F615-F646 AromaticContact CZ-CD2 3.68Å; F615-F646 HydrophobicContact CZ-CD2 3.68Å; F615-F646 HydrophobicContact CZ-CE2 4.4Å; F615-F646 AromaticContact CZ-CG 3.6Å; F615-F646 HydrophobicContact CZ-CG 3.6Å; F615-Y649 HydrophobicContact CD1-CD2 4.06Å; F615-Y649 AromaticContact CD1-CG 3.98Å; F615-Y649 HydrophobicContact CD1-CG 3.98Å; F615-Y649 HydrophobicContact CE1-CD2 4.35Å; F615-Y649 AromaticContact CE1-CG 3.98Å; F615-Y649 HydrophobicContact CE1-CG 3.98Å
616	D	96.3	Very high	95.6	Very high	101 Å²	101	54.9 Å²	54.9	54%	0.54	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-51.3	172.8	55.3	-26.3	0	0	0	111.5	G614 A618 E619 D620	G614-D616 WeakPolarHBondContact CA-OD1 3.45Å; D616-A618 VanDerWaalsContact C-N 3.31Å; D616-A618 PolarHBondContact O-N 3.05Å; D616-E619 WeakPolarHBondContact O-CB 3.45Å; D616-E619 PolarHBondContact O-N 3.35Å; D616-E619 VanDerWaalsContact O-N 3.11Å; D616-D620 PolarHBondContact O-N 3.21Å
617	V	96.4	Very high	95.6	Very high	48 Å²	48	54.8 Å²	54.8	29%	0.291	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-42.5	178	-177.6	0	0	0	0	111.3	Q613 E619 D620 E621	Q613-V617 HydrophobicContact CB-CB 4.31Å; Q613-V617 HydrophobicContact CB-CG1 4.23Å; Q613-V617 HydrophobicContact CB-CG2 4.32Å; V617-E619 VanDerWaalsContact C-N 3.31Å; V617-E619 PolarHBondContact O-N 3.12Å; V617-D620 PolarHBondContact O-N 3.47Å; V617-E621 WeakPolarHBondContact O-CG 3.48Å; V617-E621 PolarHBondContact O-N 3.39Å; V617-E621 VanDerWaalsContact O-N 3.12Å
618	A	96	Very high	95.7	Very high	15 Å²	15	54.9 Å²	54.9	12%	0.124	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-31.6	178.6	0	0	0	0	0	112.9	G614 F615 D616 N622 Y649	G614-A618 WeakPolarHBondContact O-CB 3.24Å; G614-A618 PolarHBondContact O-N 3.41Å; F615-A618 PolarHBondContact O-N 2.85Å; D616-A618 VanDerWaalsContact C-N 3.31Å; D616-A618 PolarHBondContact O-N 3.05Å; A618-N622 PolarHBondContact O-N 3.11Å; A618-Y649 HydrophobicContact CB-CD2 4Å; A618-Y649 HydrophobicContact CB-CE2 3.99Å
619	E	94.9	Very high	95.7	Very high	98 Å²	98	55.5 Å²	55.5	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-71.1	-45.4	174.3	-178.7	150	-114.4	0	0	112.2	F615 D616 V617 N622 R652	F615-E619 WeakPolarHBondContact O-CB 3.45Å; F615-E619 PolarHBondContact O-N 2.84Å; D616-E619 WeakPolarHBondContact O-CB 3.45Å; D616-E619 PolarHBondContact O-N 3.35Å; D616-E619 VanDerWaalsContact O-N 3.11Å; V617-E619 VanDerWaalsContact C-N 3.31Å; V617-E619 PolarHBondContact O-N 3.12Å; E619-N622 PolarHBondContact O-N 3.41Å; E619-R652 IonicContact OE1-CZ 3.75Å; E619-R652 IonicContact OE1-NH1 3.75Å; E619-R652 PolarHBondContact OE1-NH1 3.47Å; E619-R652 IonicContact OE1-NH2 3.4Å; E619-R652 PolarHBondContact OE1-NH2 3.38Å; E619-R652 VanDerWaalsContact OE1-NH2 3.08Å
620	D	96.1	Very high	95.8	Very high	137 Å²	137	54.4 Å²	54.4	73%	0.733	28%	0.278	S	S	*	.	H	α-helix	trans	-63.8	-42.2	-179.7	-75	-16.9	0	0	0	112.3	D616 V617 N622	D616-D620 PolarHBondContact O-N 3.21Å; V617-D620 PolarHBondContact O-N 3.47Å; D620-N622 VanDerWaalsContact C-N 3.35Å
621	E	95	Very high	95.8	Very high	117 Å²	117	52.6 Å²	52.6	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-69.8	-32	177	-70.5	-70.1	143.9	0	0	112.3	V617 I623	V617-E621 WeakPolarHBondContact O-CG 3.48Å; V617-E621 PolarHBondContact O-N 3.39Å; V617-E621 VanDerWaalsContact O-N 3.12Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 HydrophobicContact CB-CD1 4.3Å; E621-I623 HydrophobicContact CB-CG1 4.22Å; E621-I623 WeakPolarHBondContact O-CG1 3.45Å; E621-I623 PolarHBondContact O-N 3.41Å
622	N	95.9	Very high	95.9	Very high	59 Å²	59	46.6 Å²	46.6	32%	0.316	24%	0.242	S	C	.	.			trans	52.3	38.5	177.1	-166.1	25.2	0	0	0	114.8	P453 G454 A618 E619 D620 H624	P453-N622 CarbonylContact C-O 3.6Å; P453-N622 WeakPolarHBondContact CA-O 3.37Å; G454-N622 WeakPolarHBondContact CA-ND2 3.38Å; G454-N622 PolarHBondContact N-O 2.88Å; A618-N622 PolarHBondContact O-N 3.11Å; E619-N622 PolarHBondContact O-N 3.41Å; D620-N622 VanDerWaalsContact C-N 3.35Å; N622-H624 PolarHBondContact O-CD2 3.06Å; N622-H624 PolarHBondContact OD1-CD2 3.33Å; N622-H624 PolarHBondContact OD1-NE2 3.01Å
623	I	96.6	Very high	95.8	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.108	26%	0.255	C	S	.	.			trans	-97.9	100	-178	-55.9	176.5	0	0	0	110.8	P453 E621 H625 H626 Q653	P453-I623 HydrophobicContact CB-CG1 4.43Å; P453-I623 HydrophobicContact CG-CG1 4.17Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 HydrophobicContact CB-CD1 4.3Å; E621-I623 HydrophobicContact CB-CG1 4.22Å; E621-I623 WeakPolarHBondContact O-CG1 3.45Å; E621-I623 PolarHBondContact O-N 3.41Å; I623-H625 WeakPolarHBondContact CG2-CE1 3.4Å; I623-H625 WeakPolarHBondContact CG2-ND1 3.48Å; I623-H625 PolarHBondContact O-N 2.97Å; I623-H626 HydrophobicContact CB-CB 4.37Å; I623-H626 HydrophobicContact CG2-CB 4.22Å; I623-H626 WeakPolarHBondContact O-CB 3.39Å; I623-H626 PolarHBondContact O-N 2.88Å; I623-Q653 PolarHBondContact O-NE2 3.17Å
624	H	97	Very high	95.8	Very high	23 Å²	23	41.9 Å²	41.9	11%	0.106	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-23.5	-168.1	-65.1	-154.2	0	0	0	114.1	V455 L457 N622 H626 R652	V455-H624 WeakPolarHBondContact O-CB 3.36Å; L457-H624 HydrophobicContact CG-CB 4.38Å; N622-H624 PolarHBondContact O-CD2 3.06Å; N622-H624 PolarHBondContact OD1-CD2 3.33Å; N622-H624 PolarHBondContact OD1-NE2 3.01Å; H624-H626 VanDerWaalsContact C-N 3.27Å; H624-R652 WeakPolarHBondContact CB-O 3.44Å
625	H	96.1	Very high	95.9	Very high	16 Å²	16	41.3 Å²	41.3	7%	0.074	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.2	175.7	65.6	-92.9	0	0	0	113.5	L451 L457 Q608 I623	L451-H625 VanDerWaalsContact C-CE1 3.45Å; L451-H625 HydrophobicContact CD2-CB 3.96Å; L451-H625 PolarHBondContact O-CE1 2.85Å; L457-H625 HydrophobicContact CD2-CB 4.39Å; Q608-H625 PolarHBondContact N-O 3.43Å; Q608-H625 VanDerWaalsContact N-O 3.1Å; I623-H625 WeakPolarHBondContact CG2-CE1 3.4Å; I623-H625 WeakPolarHBondContact CG2-ND1 3.48Å; I623-H625 PolarHBondContact O-N 2.97Å
626	H	97.1	Very high	95.8	Very high	38 Å²	38	44.1 Å²	44.1	18%	0.176	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	138.9	166.6	-73.4	-179.5	0	0	0	110.2	Q608 V610 I623 H624 Q653	Q608-H626 PolarHBondContact NE2-NE2 3.46Å; Q608-H626 CarbonylContact O-C 3.59Å; Q608-H626 WeakPolarHBondContact O-CA 3.26Å; V610-H626 HydrophobicContact CG1-CB 4.24Å; V610-H626 HydrophobicContact CG2-CB 3.85Å; I623-H626 HydrophobicContact CB-CB 4.37Å; I623-H626 HydrophobicContact CG2-CB 4.22Å; I623-H626 WeakPolarHBondContact O-CB 3.39Å; I623-H626 PolarHBondContact O-N 2.88Å; H624-H626 VanDerWaalsContact C-N 3.27Å; H626-Q653 WeakPolarHBondContact O-CG 3.3Å
627	M	97.2	Very high	95.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.2	176.5	68.7	77.1	66	0	0	110.3	K470 Q608 P609 V610 M654 R656 M681	K470-M627 HydrophobicContact CD-CE 3.86Å; K470-M627 HydrophobicContact CD-SD 3.85Å; K470-M627 HydrophobicContact CG-SD 4.25Å; Q608-M627 PolarHBondContact O-N 3.1Å; P609-M627 CarbonylContact C-O 3.39Å; P609-M627 VanDerWaalsContact CA-O 3.28Å; P609-M627 WeakPolarHBondContact CA-O 3.03Å; P609-M627 HydrophobicContact CB-SD 3.79Å; V610-M627 PolarHBondContact N-O 3.17Å; M627-M654 WeakPolarHBondContact CA-O 3.49Å; M627-M654 HydrophobicContact CB-CB 3.99Å; M627-M654 WeakPolarHBondContact CB-O 3.49Å; M627-R656 HydrophobicContact CE-CB 3.74Å; M627-M681 HydrophobicContact CE-CE 3.43Å; M627-M681 VanDerWaalsContact CE-CE 3.43Å
628	S	97.3	Very high	95.6	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145	177	-65.2	0	0	0	0	111.2	V610 Y649 M654 S655 R656	V610-S628 PolarHBondContact O-OG 3.05Å; V610-S628 VanDerWaalsContact O-OG 3.06Å; S628-Y649 PolarHBondContact N-OH 3.4Å; S628-M654 PolarHBondContact N-O 3.01Å; S628-S655 WeakPolarHBondContact O-CA 3.38Å; S628-R656 PolarHBondContact O-N 2.93Å
629	S	96.1	Very high	95.5	Very high	41 Å²	41	38.5 Å²	38.5	29%	0.287	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.1	174.7	-57.6	0	0	0	0	109.3	K470 R656	K470-S629 WeakPolarHBondContact CE-OG 3.08Å; S629-R656 CarbonylContact C-O 3.51Å; S629-R656 VanDerWaalsContact CA-O 3.27Å; S629-R656 WeakPolarHBondContact CA-O 3.28Å
630	F	95.9	Very high	95.4	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.4	-175.9	-55.6	-84.5	0	0	0	110	F612 V634 A635 L638 F646 R656 I657 Y658	F612-F630 HydrophobicContact CB-CE1 3.75Å; F612-F630 HydrophobicContact CB-CZ 4.05Å; F612-F630 AromaticContact CD1-CE1 3.66Å; F612-F630 HydrophobicContact CD1-CE1 3.66Å; F612-F630 HydrophobicContact CD1-CZ 4.15Å; F612-F630 HydrophobicContact CD2-CE1 4.04Å; F612-F630 AromaticContact CD2-CZ 3.68Å; F612-F630 HydrophobicContact CD2-CZ 3.68Å; F612-F630 HydrophobicContact CE1-CE1 4.23Å; F612-F630 HydrophobicContact CE2-CZ 4.13Å; F612-F630 AromaticContact CG-CE1 3.54Å; F612-F630 HydrophobicContact CG-CE1 3.54Å; F612-F630 AromaticContact CG-CZ 3.69Å; F612-F630 HydrophobicContact CG-CZ 3.69Å; F630-V634 HydrophobicContact CD1-CG1 4.02Å; F630-A635 HydrophobicContact CB-CB 3.94Å; F630-L638 HydrophobicContact CD1-CD1 3.7Å; F630-L638 HydrophobicContact CE1-CD1 3.5Å; F630-L638 VanDerWaalsContact CE1-CD1 3.5Å; F630-L638 HydrophobicContact CG-CD1 4.47Å; F630-L638 HydrophobicContact CZ-CD1 4.13Å; F630-F646 HydrophobicContact CD2-CZ 4.3Å; F630-F646 HydrophobicContact CE2-CE2 4.26Å; F630-F646 HydrophobicContact CE2-CZ 4.29Å; F630-R656 PolarHBondContact N-O 3.37Å; F630-I657 HydrophobicContact CB-CD1 3.97Å; F630-I657 HydrophobicContact CD2-CD1 3.99Å; F630-I657 HydrophobicContact CG-CD1 4.41Å; F630-I657 WeakPolarHBondContact O-CA 3.48Å; F630-Y658 WeakPolarHBondContact O-CD1 3.36Å; F630-Y658 WeakPolarHBondContact O-CE1 3.19Å; F630-Y658 PolarHBondContact O-N 3.27Å; F630-Y658 VanDerWaalsContact O-N 3.11Å
631	S	94.3	Very high	95.3	Very high	12 Å²	12	40 Å²	40	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	152.4	166.1	73.5	0	0	0	0	109.8	T633 V634 A635	S631-T633 PolarHBondContact O-N 3.33Å; S631-T633 VanDerWaalsContact O-N 3.11Å; S631-V634 PolarHBondContact O-N 3.11Å; S631-V634 VanDerWaalsContact O-N 3.08Å; S631-V634 WeakPolarHBondContact OG-CG2 3.49Å; S631-V634 PolarHBondContact OG-N 2.91Å; S631-A635 WeakPolarHBondContact O-CB 2.98Å; S631-A635 PolarHBondContact O-N 3.09Å
632	E	93.8	Very high	95.3	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-46.4	-43.3	176.6	179.7	-170.3	175.8	0	0	111.9	L636 Y658 R663 Y669 F674	E632-L636 HydrophobicContact CG-CD1 4.01Å; E632-L636 WeakPolarHBondContact O-CB 3.07Å; E632-L636 WeakPolarHBondContact O-CG 3.44Å; E632-L636 PolarHBondContact O-N 3.38Å; E632-Y658 PolarHBondContact N-O 3.22Å; E632-R663 IonicContact OE1-CZ 2.97Å; E632-R663 IonicContact OE1-NE 2.86Å; E632-R663 IonicContact OE1-NH2 2.81Å; E632-R663 PolarHBondContact OE1-NH2 3.32Å; E632-R663 IonicContact OE2-CZ 3.56Å; E632-R663 IonicContact OE2-NE 2.84Å; E632-R663 PolarHBondContact OE2-NE 3.32Å; E632-R663 IonicContact OE2-NH2 3.29Å; E632-R663 PolarHBondContact OE2-NH2 3.41Å; E632-Y669 HydrophobicContact CB-CD1 4.28Å; E632-Y669 HydrophobicContact CG-CD1 4.15Å; E632-Y669 HydrophobicContact CG-CG 4.12Å; E632-Y669 WeakPolarHBondContact OE1-CB 3.26Å; E632-F674 HydrophobicContact CG-CE2 4.45Å; E632-F674 HydrophobicContact CG-CZ 4.19Å
633	T	93.4	Very high	95.2	Very high	80 Å²	80	35.9 Å²	35.9	49%	0.491	19%	0.192	S	C	.	.	H	α-helix	trans	-65.8	-46.1	-178.5	-49.7	0	0	0	0	112.2	S631 L636 G637	S631-T633 PolarHBondContact O-N 3.33Å; S631-T633 VanDerWaalsContact O-N 3.11Å; T633-L636 PolarHBondContact O-N 3.23Å; T633-G637 PolarHBondContact O-N 2.89Å
634	V	95	Very high	95	Very high	26 Å²	26	37.5 Å²	37.5	16%	0.158	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-44.9	179.6	175.4	0	0	0	0	110.2	T507 F630 S631 L636 G637 L638	T507-V634 VanDerWaalsContact OG1-CG2 3.25Å; T507-V634 WeakPolarHBondContact OG1-CG2 3.31Å; F630-V634 HydrophobicContact CD1-CG1 4.02Å; S631-V634 PolarHBondContact O-N 3.11Å; S631-V634 VanDerWaalsContact O-N 3.08Å; S631-V634 WeakPolarHBondContact OG-CG2 3.49Å; S631-V634 PolarHBondContact OG-N 2.91Å; V634-L636 VanDerWaalsContact C-N 3.34Å; V634-L636 PolarHBondContact O-N 3.3Å; V634-G637 WeakPolarHBondContact O-CA 3.44Å; V634-G637 PolarHBondContact O-N 3.49Å; V634-L638 HydrophobicContact CG1-CD1 4.4Å; V634-L638 PolarHBondContact O-N 3.39Å
635	A	95.9	Very high	95	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-39.6	178.5	0	0	0	0	0	112.5	F630 S631 G637 L638 L639 I657 F674	F630-A635 HydrophobicContact CB-CB 3.94Å; S631-A635 WeakPolarHBondContact O-CB 2.98Å; S631-A635 PolarHBondContact O-N 3.09Å; A635-G637 VanDerWaalsContact C-N 3.32Å; A635-L638 PolarHBondContact O-N 3.02Å; A635-L639 WeakPolarHBondContact O-CB 3.37Å; A635-L639 PolarHBondContact O-N 3.1Å; A635-I657 HydrophobicContact CB-CD1 3.75Å; A635-I657 HydrophobicContact CB-CG2 4.09Å; A635-F674 HydrophobicContact CB-CD1 4.04Å; A635-F674 HydrophobicContact CB-CE1 3.44Å; A635-F674 VanDerWaalsContact CB-CE1 3.44Å; A635-F674 HydrophobicContact CB-CZ 4.15Å
636	L	94.9	Very high	95.1	Very high	69 Å²	69	39.7 Å²	39.7	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-37.6	171.9	-75.5	169.2	0	0	0	111.9	E632 T633 V634 L639 K640 I673 F674	E632-L636 HydrophobicContact CG-CD1 4.01Å; E632-L636 WeakPolarHBondContact O-CB 3.07Å; E632-L636 WeakPolarHBondContact O-CG 3.44Å; E632-L636 PolarHBondContact O-N 3.38Å; T633-L636 PolarHBondContact O-N 3.23Å; V634-L636 VanDerWaalsContact C-N 3.34Å; V634-L636 PolarHBondContact O-N 3.3Å; L636-L639 PolarHBondContact O-N 3.45Å; L636-K640 VanDerWaalsContact O-CB 3.31Å; L636-K640 WeakPolarHBondContact O-CB 3.32Å; L636-K640 PolarHBondContact O-N 2.88Å; L636-I673 HydrophobicContact CD2-CG2 4Å; L636-F674 HydrophobicContact CD2-CE1 4.29Å; L636-F674 HydrophobicContact CD2-CZ 4.13Å; L636-F674 HydrophobicContact CG-CE1 4.23Å; L636-F674 HydrophobicContact CG-CZ 3.95Å
637	G	94.9	Very high	95	Very high	24 Å²	24	37.9 Å²	37.9	25%	0.247	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-46.6	173.5	0	0	0	0	0	112.6	T633 V634 A635 K640 N641	T633-G637 PolarHBondContact O-N 2.89Å; V634-G637 WeakPolarHBondContact O-CA 3.44Å; V634-G637 PolarHBondContact O-N 3.49Å; A635-G637 VanDerWaalsContact C-N 3.32Å; G637-K640 PolarHBondContact O-N 3.08Å; G637-N641 PolarHBondContact O-N 3.12Å; G637-N641 PolarHBondContact O-ND2 3.17Å
638	L	95.4	Very high	95	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-46.3	175.7	-66.8	173.3	0	0	0	111.3	F612 F615 F630 V634 A635 K640 N641 Q642 F646	F612-L638 HydrophobicContact CE1-CD1 4.15Å; F612-L638 HydrophobicContact CE1-CD2 4.06Å; F615-L638 HydrophobicContact CE2-CB 4.35Å; F615-L638 HydrophobicContact CE2-CD2 3.93Å; F615-L638 HydrophobicContact CZ-CB 4.25Å; F615-L638 HydrophobicContact CZ-CD1 4.16Å; F615-L638 HydrophobicContact CZ-CD2 4.25Å; F615-L638 HydrophobicContact CZ-CG 4.46Å; F630-L638 HydrophobicContact CD1-CD1 3.7Å; F630-L638 HydrophobicContact CE1-CD1 3.5Å; F630-L638 VanDerWaalsContact CE1-CD1 3.5Å; F630-L638 HydrophobicContact CG-CD1 4.47Å; F630-L638 HydrophobicContact CZ-CD1 4.13Å; V634-L638 HydrophobicContact CG1-CD1 4.4Å; V634-L638 PolarHBondContact O-N 3.39Å; A635-L638 PolarHBondContact O-N 3.02Å; L638-K640 VanDerWaalsContact C-N 3.26Å; L638-K640 PolarHBondContact O-N 3Å; L638-N641 PolarHBondContact O-N 3.39Å; L638-Q642 CarbonylContact O-C 3.57Å; L638-Q642 WeakPolarHBondContact O-CA 3.39Å; L638-Q642 PolarHBondContact O-N 3.29Å; L638-F646 HydrophobicContact CB-CD1 4.12Å; L638-F646 HydrophobicContact CB-CE1 4.19Å
639	L	93.6	Very high	95	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-35.9	178.3	-172.7	61.7	0	0	0	112.4	A635 L636 A643 I673 A677 P724 F725	A635-L639 WeakPolarHBondContact O-CB 3.37Å; A635-L639 PolarHBondContact O-N 3.1Å; L636-L639 PolarHBondContact O-N 3.45Å; L639-A643 HydrophobicContact CD1-CB 4.08Å; L639-A643 WeakPolarHBondContact O-CB 3.35Å; L639-I673 HydrophobicContact CD2-CG2 3.47Å; L639-I673 VanDerWaalsContact CD2-CG2 3.47Å; L639-A677 HydrophobicContact CD1-CB 3.79Å; L639-P724 HydrophobicContact CD1-CG 4.31Å; L639-F725 HydrophobicContact CD1-CE2 4.04Å; L639-F725 HydrophobicContact CD1-CZ 4.44Å; L639-F725 HydrophobicContact CD2-CZ 4.25Å; L639-F725 HydrophobicContact CG-CE2 3.97Å; L639-F725 HydrophobicContact CG-CZ 3.95Å
640	K	91.5	Very high	95	Very high	174 Å²	174	37.5 Å²	37.5	76%	0.757	20%	0.197	S	C	*	.	H	α-helix	trans	-69.5	-37.5	178.5	-179	-179.3	175.4	-176.7	0	112.9	L636 G637 L638	L636-K640 VanDerWaalsContact O-CB 3.31Å; L636-K640 WeakPolarHBondContact O-CB 3.32Å; L636-K640 PolarHBondContact O-N 2.88Å; G637-K640 PolarHBondContact O-N 3.08Å; L638-K640 VanDerWaalsContact C-N 3.26Å; L638-K640 PolarHBondContact O-N 3Å
641	N	93.7	Very high	95.1	Very high	93 Å²	93	37.6 Å²	37.6	50%	0.497	20%	0.197	S	C	.	.	H	α-helix	trans	-101.3	-28	-170.4	-57.2	-36.8	0	0	0	113.2	G637 L638	G637-N641 PolarHBondContact O-N 3.12Å; G637-N641 PolarHBondContact O-ND2 3.17Å; L638-N641 PolarHBondContact O-N 3.39Å
642	Q	94.9	Very high	95.2	Very high	77 Å²	77	39.4 Å²	39.4	36%	0.36	20%	0.202	S	C	.	.			trans	-147	50.9	-166.2	-67.6	178.3	-52.7	0	0	111.2	F615 L638 I644 E645 F646	F615-Q642 HydrophobicContact CD2-CB 3.99Å; F615-Q642 HydrophobicContact CE2-CB 3.76Å; L638-Q642 CarbonylContact O-C 3.57Å; L638-Q642 WeakPolarHBondContact O-CA 3.39Å; L638-Q642 PolarHBondContact O-N 3.29Å; Q642-I644 PolarHBondContact O-N 3.4Å; Q642-E645 WeakPolarHBondContact CA-OE2 3.47Å; Q642-E645 HydrophobicContact CB-CB 4.26Å; Q642-F646 WeakPolarHBondContact O-CB 3.47Å; Q642-F646 PolarHBondContact O-N 3.07Å
643	A	94	Very high	95.4	Very high	12 Å²	12	38.9 Å²	38.9	10%	0.099	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-42.3	-174.2	0	0	0	0	0	113.4	L639 F646 V647 P724 F725	L639-A643 HydrophobicContact CD1-CB 4.08Å; L639-A643 WeakPolarHBondContact O-CB 3.35Å; A643-F646 PolarHBondContact O-N 3.19Å; A643-V647 WeakPolarHBondContact O-CG2 3.49Å; A643-V647 PolarHBondContact O-N 2.91Å; A643-V647 VanDerWaalsContact O-N 3.08Å; A643-P724 HydrophobicContact CB-CG 3.86Å; A643-F725 HydrophobicContact CB-CD2 4.01Å; A643-F725 HydrophobicContact CB-CE2 3.88Å
644	I	93.9	Very high	95.6	Very high	56 Å²	56	35.1 Å²	35.1	29%	0.287	18%	0.177	S	C	.	.	H	α-helix	trans	-70.6	-43.1	-175.5	-62	171.7	0	0	0	109.8	Q642 F646 V647 N648 D723	Q642-I644 PolarHBondContact O-N 3.4Å; I644-F646 VanDerWaalsContact C-N 3.27Å; I644-F646 PolarHBondContact O-N 3.01Å; I644-V647 PolarHBondContact O-N 3.11Å; I644-N648 PolarHBondContact O-N 3.42Å; I644-N648 PolarHBondContact O-ND2 3.42Å; I644-D723 HydrophobicContact CD1-CB 4.2Å; I644-D723 HydrophobicContact CG1-CB 4.07Å
645	E	96.3	Very high	95.8	Very high	84 Å²	84	33.9 Å²	33.9	39%	0.393	17%	0.169	S	C	.	.	H	α-helix	trans	-60.5	-40.4	174.9	-61.5	82.4	173.2	0	0	110.5	F615 Q642 N648 Y649	F615-E645 HydrophobicContact CB-CB 3.9Å; F615-E645 HydrophobicContact CD2-CB 3.58Å; F615-E645 HydrophobicContact CE2-CB 4.22Å; F615-E645 HydrophobicContact CG-CB 3.75Å; Q642-E645 WeakPolarHBondContact CA-OE2 3.47Å; Q642-E645 HydrophobicContact CB-CB 4.26Å; E645-N648 PolarHBondContact O-N 3.48Å; E645-Y649 WeakPolarHBondContact O-CB 3.41Å; E645-Y649 PolarHBondContact O-N 3.22Å
646	F	97.4	Very high	95.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-41.3	177.1	-156.7	177.2	0	0	0	112.4	F615 F630 L638 Q642 A643 I644 N648 Y649 N650 I657 A677 C679	F615-F646 HydrophobicContact CE1-CB 4.03Å; F615-F646 AromaticContact CE1-CD2 3.63Å; F615-F646 HydrophobicContact CE1-CD2 3.63Å; F615-F646 HydrophobicContact CE1-CE2 4.34Å; F615-F646 HydrophobicContact CE1-CG 4.01Å; F615-F646 HydrophobicContact CE2-CB 4.25Å; F615-F646 HydrophobicContact CZ-CB 3.56Å; F615-F646 HydrophobicContact CZ-CD1 4.28Å; F615-F646 AromaticContact CZ-CD2 3.68Å; F615-F646 HydrophobicContact CZ-CD2 3.68Å; F615-F646 HydrophobicContact CZ-CE2 4.4Å; F615-F646 AromaticContact CZ-CG 3.6Å; F615-F646 HydrophobicContact CZ-CG 3.6Å; F630-F646 HydrophobicContact CD2-CZ 4.3Å; F630-F646 HydrophobicContact CE2-CE2 4.26Å; F630-F646 HydrophobicContact CE2-CZ 4.29Å; L638-F646 HydrophobicContact CB-CD1 4.12Å; L638-F646 HydrophobicContact CB-CE1 4.19Å; Q642-F646 WeakPolarHBondContact O-CB 3.47Å; Q642-F646 PolarHBondContact O-N 3.07Å; A643-F646 PolarHBondContact O-N 3.19Å; I644-F646 VanDerWaalsContact C-N 3.27Å; I644-F646 PolarHBondContact O-N 3.01Å; F646-N648 VanDerWaalsContact C-N 3.33Å; F646-N648 PolarHBondContact O-N 2.97Å; F646-Y649 HydrophobicContact CD2-CD1 4.28Å; F646-Y649 HydrophobicContact CE2-CD1 4.32Å; F646-Y649 PolarHBondContact O-N 3.03Å; F646-N650 WeakPolarHBondContact CD2-ND2 3.48Å; F646-N650 PolarHBondContact O-N 3.18Å; F646-N650 VanDerWaalsContact O-N 3.11Å; F646-N650 PolarHBondContact O-ND2 3.34Å; F646-N650 VanDerWaalsContact O-ND2 3.12Å; F646-I657 HydrophobicContact CZ-CD1 4.23Å; F646-A677 HydrophobicContact CD1-CB 4.17Å; F646-A677 HydrophobicContact CG-CB 4.42Å; F646-C679 VanDerWaalsContact CZ-SG 3.59Å
647	V	96.2	Very high	96.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-44.9	172.3	171.7	0	0	0	0	111	A643 I644 N650 K651 A677 F722 P724	A643-V647 WeakPolarHBondContact O-CG2 3.49Å; A643-V647 PolarHBondContact O-N 2.91Å; A643-V647 VanDerWaalsContact O-N 3.08Å; I644-V647 PolarHBondContact O-N 3.11Å; V647-N650 PolarHBondContact O-N 3.03Å; V647-K651 PolarHBondContact O-N 3.05Å; V647-A677 WeakPolarHBondContact CA-O 3.23Å; V647-F722 HydrophobicContact CG1-CB 4.23Å; V647-F722 HydrophobicContact CG1-CD1 3.96Å; V647-F722 HydrophobicContact CG2-CD1 4.01Å; V647-P724 HydrophobicContact CG2-CG 4.38Å
648	N	96	Very high	96.1	Very high	31 Å²	31	32.2 Å²	32.2	17%	0.166	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-41	-179.7	-72.9	-31.5	0	0	0	112.5	I644 E645 F646 N650 K651	I644-N648 PolarHBondContact O-N 3.42Å; I644-N648 PolarHBondContact O-ND2 3.42Å; E645-N648 PolarHBondContact O-N 3.48Å; F646-N648 VanDerWaalsContact C-N 3.33Å; F646-N648 PolarHBondContact O-N 2.97Å; N648-N650 VanDerWaalsContact C-N 3.29Å; N648-N650 PolarHBondContact O-N 3.11Å; N648-K651 WeakPolarHBondContact O-CB 3.38Å; N648-K651 PolarHBondContact O-N 2.85Å; N648-K651 VanDerWaalsContact O-N 3.16Å; N648-K651 WeakPolarHBondContact OD1-CE 3.17Å; N648-K651 PolarHBondContact OD1-NZ 2.9Å
649	Y	97.2	Very high	96.1	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-53.6	-47.9	171.3	171.4	-88.7	0	0	0	111.2	F612 F615 A618 S628 E645 F646 K651 R652 Q653 M654	F612-Y649 HydrophobicContact CD2-CE2 4.44Å; F612-Y649 HydrophobicContact CE2-CD2 4.33Å; F612-Y649 HydrophobicContact CE2-CE2 4.13Å; F615-Y649 HydrophobicContact CD1-CD2 4.06Å; F615-Y649 AromaticContact CD1-CG 3.98Å; F615-Y649 HydrophobicContact CD1-CG 3.98Å; F615-Y649 HydrophobicContact CE1-CD2 4.35Å; F615-Y649 AromaticContact CE1-CG 3.98Å; F615-Y649 HydrophobicContact CE1-CG 3.98Å; A618-Y649 HydrophobicContact CB-CD2 4Å; A618-Y649 HydrophobicContact CB-CE2 3.99Å; S628-Y649 PolarHBondContact N-OH 3.4Å; E645-Y649 WeakPolarHBondContact O-CB 3.41Å; E645-Y649 PolarHBondContact O-N 3.22Å; F646-Y649 HydrophobicContact CD2-CD1 4.28Å; F646-Y649 HydrophobicContact CE2-CD1 4.32Å; F646-Y649 PolarHBondContact O-N 3.03Å; Y649-K651 PolarHBondContact O-N 2.98Å; Y649-K651 VanDerWaalsContact O-N 3.13Å; Y649-R652 PolarHBondContact O-N 3.41Å; Y649-R652 VanDerWaalsContact O-N 3.14Å; Y649-Q653 HydrophobicContact CD2-CB 4.46Å; Y649-Q653 VanDerWaalsContact CD2-OE1 3.23Å; Y649-Q653 HydrophobicContact CE1-CB 4.09Å; Y649-Q653 HydrophobicContact CE2-CB 4.01Å; Y649-Q653 PolarHBondContact O-N 2.93Å; Y649-M654 PolarHBondContact OH-O 3.44Å
650	N	97.8	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71	-4.5	-177.8	-75	-40	0	0	0	114.6	F646 V647 N648 Q653 S655 A677 G678 C679 Q680 K711	F646-N650 WeakPolarHBondContact CD2-ND2 3.48Å; F646-N650 PolarHBondContact O-N 3.18Å; F646-N650 VanDerWaalsContact O-N 3.11Å; F646-N650 PolarHBondContact O-ND2 3.34Å; F646-N650 VanDerWaalsContact O-ND2 3.12Å; V647-N650 PolarHBondContact O-N 3.03Å; N648-N650 VanDerWaalsContact C-N 3.29Å; N648-N650 PolarHBondContact O-N 3.11Å; N650-Q653 WeakPolarHBondContact CA-O 3.36Å; N650-S655 WeakPolarHBondContact OD1-CB 3.42Å; N650-S655 PolarHBondContact OD1-OG 3.44Å; N650-A677 PolarHBondContact ND2-O 2.8Å; N650-G678 WeakPolarHBondContact CB-O 3.37Å; N650-C679 PolarHBondContact ND2-N 3.3Å; N650-C679 PolarHBondContact ND2-SG 3.02Å; N650-C679 VanDerWaalsContact ND2-SG 3.41Å; N650-Q680 PolarHBondContact O-NE2 3.12Å; N650-Q680 PolarHBondContact OD1-OE1 2.9Å; N650-K711 PolarHBondContact O-NZ 3.17Å
651	K	97.2	Very high	95.3	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.039	16%	0.163	C	C	.	.	H	α-helix	trans	-74.3	-38.6	169	-66.8	172.3	-178	171.8	0	111.3	S329 H330 V647 N648 Y649 M715 R717 R720	S329-K651 WeakPolarHBondContact CB-O 3.41Å; S329-K651 PolarHBondContact OG-O 3.23Å; H330-K651 PolarHBondContact CD2-O 3.18Å; H330-K651 PolarHBondContact NE2-O 3.39Å; V647-K651 PolarHBondContact O-N 3.05Å; N648-K651 WeakPolarHBondContact O-CB 3.38Å; N648-K651 PolarHBondContact O-N 2.85Å; N648-K651 VanDerWaalsContact O-N 3.16Å; N648-K651 WeakPolarHBondContact OD1-CE 3.17Å; N648-K651 PolarHBondContact OD1-NZ 2.9Å; Y649-K651 PolarHBondContact O-N 2.98Å; Y649-K651 VanDerWaalsContact O-N 3.13Å; K651-M715 WeakPolarHBondContact CG-O 3.3Å; K651-R717 VanDerWaalsContact CE-O 3.27Å; K651-R717 WeakPolarHBondContact CE-O 3.44Å; K651-R717 PolarHBondContact NZ-O 2.75Å; K651-R720 PolarHBondContact NZ-O 3.29Å
652	R	96.7	Very high	94.6	Very high	50 Å²	50	32.7 Å²	32.7	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-100.7	-44.5	-172.2	-60.8	-177.8	-62.8	-105.7	1.9	112.3	E619 H624 Y649	E619-R652 IonicContact OE1-CZ 3.75Å; E619-R652 IonicContact OE1-NH1 3.75Å; E619-R652 PolarHBondContact OE1-NH1 3.47Å; E619-R652 IonicContact OE1-NH2 3.4Å; E619-R652 PolarHBondContact OE1-NH2 3.38Å; E619-R652 VanDerWaalsContact OE1-NH2 3.08Å; H624-R652 WeakPolarHBondContact CB-O 3.44Å; Y649-R652 PolarHBondContact O-N 3.41Å; Y649-R652 VanDerWaalsContact O-N 3.14Å
653	Q	97.9	Very high	94.3	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.028	16%	0.161	C	C	.	.	S	Bend	trans	-112.3	164.4	-173.5	-72	170.9	-41.2	0	0	111.1	I623 H626 Y649 N650 Q680	I623-Q653 PolarHBondContact O-NE2 3.17Å; H626-Q653 WeakPolarHBondContact O-CG 3.3Å; Y649-Q653 HydrophobicContact CD2-CB 4.46Å; Y649-Q653 VanDerWaalsContact CD2-OE1 3.23Å; Y649-Q653 HydrophobicContact CE1-CB 4.09Å; Y649-Q653 HydrophobicContact CE2-CB 4.01Å; Y649-Q653 PolarHBondContact O-N 2.93Å; N650-Q653 WeakPolarHBondContact CA-O 3.36Å; Q653-Q680 PolarHBondContact O-NE2 3.36Å
654	M	98.2	Very high	93.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	143	174.1	-65.6	-175.9	-68.7	0	0	111.3	L328 I333 L457 Y606 A607 M627 S628 Y649 Q680 M681	L328-M654 HydrophobicContact CB-SD 4.23Å; I333-M654 HydrophobicContact CD1-SD 4.41Å; L457-M654 HydrophobicContact CD1-CE 4.14Å; L457-M654 HydrophobicContact CD1-CG 3.84Å; L457-M654 HydrophobicContact CD1-SD 4.24Å; Y606-M654 WeakPolarHBondContact O-CE 3.48Å; A607-M654 HydrophobicContact CB-CE 4.32Å; M627-M654 WeakPolarHBondContact CA-O 3.49Å; M627-M654 HydrophobicContact CB-CB 3.99Å; M627-M654 WeakPolarHBondContact CB-O 3.49Å; S628-M654 PolarHBondContact N-O 3.01Å; Y649-M654 PolarHBondContact OH-O 3.44Å; M654-Q680 VanDerWaalsContact CA-OE1 3.31Å; M654-M681 HydrophobicContact CB-CE 3.73Å; M654-M681 HydrophobicContact CG-CE 4.46Å; M654-M681 HydrophobicContact SD-CE 4.11Å
655	S	98.5	Very high	93.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.5	166.8	54.8	0	0	0	0	110.8	S628 N650 C679 Q680 M681	S628-S655 WeakPolarHBondContact O-CA 3.38Å; N650-S655 WeakPolarHBondContact OD1-CB 3.42Å; N650-S655 PolarHBondContact OD1-OG 3.44Å; S655-C679 VanDerWaalsContact OG-CA 3.31Å; S655-C679 WeakPolarHBondContact OG-CA 3.45Å; S655-C679 VanDerWaalsContact OG-CB 3.31Å; S655-C679 WeakPolarHBondContact OG-CB 3.4Å; S655-C679 PolarHBondContact OG-SG 2.76Å; S655-C679 VanDerWaalsContact OG-SG 3.39Å; S655-Q680 PolarHBondContact OG-OE1 3.29Å; S655-M681 PolarHBondContact O-N 3.22Å; S655-M681 VanDerWaalsContact O-N 3.08Å
656	R	98.5	Very high	93.4	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.3	168.8	-177.8	177.9	-174.5	-105.8	1	109.9	S336 E367 M627 S628 S629 F630 M681	S336-R656 PolarHBondContact O-NH2 3.07Å; E367-R656 IonicContact OE1-CZ 3.13Å; E367-R656 VanDerWaalsContact OE1-CZ 3.26Å; E367-R656 IonicContact OE1-NH1 2.64Å; E367-R656 PolarHBondContact OE1-NH1 3.12Å; E367-R656 IonicContact OE1-NH2 3.46Å; E367-R656 PolarHBondContact OE1-NH2 3.37Å; E367-R656 IonicContact OE2-CZ 3.97Å; E367-R656 IonicContact OE2-NH1 3.94Å; E367-R656 IonicContact OE2-NH2 3.71Å; E367-R656 PolarHBondContact OE2-NH2 3.01Å; M627-R656 HydrophobicContact CE-CB 3.74Å; S628-R656 PolarHBondContact O-N 2.93Å; S629-R656 CarbonylContact C-O 3.51Å; S629-R656 VanDerWaalsContact CA-O 3.27Å; S629-R656 WeakPolarHBondContact CA-O 3.28Å; F630-R656 PolarHBondContact N-O 3.37Å; R656-M681 CarbonylContact C-O 3.6Å; R656-M681 VanDerWaalsContact CA-O 3.26Å; R656-M681 WeakPolarHBondContact CA-O 3.29Å; R656-M681 HydrophobicContact CB-CB 3.93Å; R656-M681 HydrophobicContact CB-CE 4.25Å; R656-M681 HydrophobicContact CG-CB 3.97Å
657	I	98.3	Very high	93.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.5	174.6	-45.6	-56.7	0	0	0	108.4	F630 A635 F646 Y669 F674 C679 M681 A683	F630-I657 HydrophobicContact CB-CD1 3.97Å; F630-I657 HydrophobicContact CD2-CD1 3.99Å; F630-I657 HydrophobicContact CG-CD1 4.41Å; F630-I657 WeakPolarHBondContact O-CA 3.48Å; A635-I657 HydrophobicContact CB-CD1 3.75Å; A635-I657 HydrophobicContact CB-CG2 4.09Å; F646-I657 HydrophobicContact CZ-CD1 4.23Å; I657-Y669 HydrophobicContact CG2-CE2 4.43Å; I657-Y669 PolarHBondContact O-OH 3.09Å; I657-Y669 VanDerWaalsContact O-OH 3.07Å; I657-F674 HydrophobicContact CB-CG 4.44Å; I657-F674 HydrophobicContact CG1-CB 4.1Å; I657-F674 HydrophobicContact CG1-CD1 4.18Å; I657-F674 HydrophobicContact CG1-CG 4.04Å; I657-F674 HydrophobicContact CG2-CD1 4.2Å; I657-F674 HydrophobicContact CG2-CD2 3.92Å; I657-F674 HydrophobicContact CG2-CE1 4.13Å; I657-F674 HydrophobicContact CG2-CE2 3.82Å; I657-F674 HydrophobicContact CG2-CG 4.09Å; I657-F674 HydrophobicContact CG2-CZ 3.91Å; I657-C679 HydrophobicContact CD1-CB 4.47Å; I657-C679 HydrophobicContact CG1-CB 4.01Å; I657-M681 PolarHBondContact N-O 3.45Å; I657-A683 VanDerWaalsContact O-CB 3.26Å; I657-A683 WeakPolarHBondContact O-CB 3.13Å; I657-A683 PolarHBondContact O-N 3.36Å
658	Y	96	Very high	93.3	Very high	53 Å²	53	32.9 Å²	32.9	21%	0.208	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.1	178.7	62.2	-87	0	0	0	112.4	F630 E632	F630-Y658 WeakPolarHBondContact O-CD1 3.36Å; F630-Y658 WeakPolarHBondContact O-CE1 3.19Å; F630-Y658 PolarHBondContact O-N 3.27Å; F630-Y658 VanDerWaalsContact O-N 3.11Å; E632-Y658 PolarHBondContact N-O 3.22Å
659	P	94.2	Very high	93.3	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.026	17%	0.169	C	C	.	.			trans	-62.2	145.7	-178.1	-18.5	31.1	0	0	0	112	H337 Y669	H337-P659 HydrophobicContact CB-CG 4.23Å; P659-Y669 HydrophobicContact CB-CD1 4.11Å; P659-Y669 HydrophobicContact CB-CE1 4.19Å; P659-Y669 HydrophobicContact CG-CD1 4.05Å; P659-Y669 HydrophobicContact CG-CE1 3.73Å
660	R	88.6	Confident	93.3	Very high	106 Å²	106	33.1 Å²	33.1	40%	0.4	18%	0.177	S	C	.	.			trans	-68.1	147.8	172.2	65.9	-175.1	179.1	-177.7	0.5	111.8	N662 R663	R660-N662 HydrophobicContact CG-CB 4.35Å; R660-N662 PolarHBondContact O-N 3.28Å; R660-R663 HydrophobicContact CG-CG 4.19Å; R660-R663 PolarHBondContact O-N 3.26Å; R660-R663 VanDerWaalsContact O-N 3.15Å
661	G	79.2	Confident	93.3	Very high	67 Å²	67	33.1 Å²	33.1	69%	0.691	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20	-176.4	0	0	0	0	0	115.5	R663	G661-R663 PolarHBondContact O-N 2.96Å; G661-R663 VanDerWaalsContact O-N 3.17Å
662	N	80.2	Confident	93.2	Very high	122 Å²	122	32.9 Å²	32.9	65%	0.652	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16	178.7	-33.9	47.9	0	0	0	112.9	R660 V664	R660-N662 HydrophobicContact CG-CB 4.35Å; R660-N662 PolarHBondContact O-N 3.28Å; N662-V664 PolarHBondContact O-N 3.15Å
663	R	87.3	Confident	93.2	Very high	43 Å²	43	33.5 Å²	33.5	16%	0.162	18%	0.182	C	C	.	.			trans	-80.5	59.2	177.2	-66.6	172.9	173	-80.8	8.3	110.3	Q345 E632 R660 G661 D665 S666 S667 N668	Q345-R663 VanDerWaalsContact CG-O 3.29Å; Q345-R663 WeakPolarHBondContact CG-O 3.48Å; E632-R663 IonicContact OE1-CZ 2.97Å; E632-R663 IonicContact OE1-NE 2.86Å; E632-R663 IonicContact OE1-NH2 2.81Å; E632-R663 PolarHBondContact OE1-NH2 3.32Å; E632-R663 IonicContact OE2-CZ 3.56Å; E632-R663 IonicContact OE2-NE 2.84Å; E632-R663 PolarHBondContact OE2-NE 3.32Å; E632-R663 IonicContact OE2-NH2 3.29Å; E632-R663 PolarHBondContact OE2-NH2 3.41Å; R660-R663 HydrophobicContact CG-CG 4.19Å; R660-R663 PolarHBondContact O-N 3.26Å; R660-R663 VanDerWaalsContact O-N 3.15Å; G661-R663 PolarHBondContact O-N 2.96Å; G661-R663 VanDerWaalsContact O-N 3.17Å; R663-D665 PolarHBondContact O-N 3.26Å; R663-D665 VanDerWaalsContact O-N 3.17Å; R663-S666 WeakPolarHBondContact O-CA 3.26Å; R663-S666 PolarHBondContact O-N 3.42Å; R663-S667 WeakPolarHBondContact CD-O 3.33Å; R663-S667 PolarHBondContact NH1-OG 2.84Å; R663-S667 VanDerWaalsContact NH1-OG 3.14Å; R663-N668 PolarHBondContact NH1-O 3.06Å; R663-N668 VanDerWaalsContact NH1-O 3.11Å
664	V	85	Confident	93.2	Very high	56 Å²	56	33.3 Å²	33.3	34%	0.339	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.4	-175	-64.1	0	0	0	0	113.3	Q345 M584 N662 S666	Q345-V664 PolarHBondContact N-O 2.88Å; M584-V664 HydrophobicContact CE-CB 4.41Å; M584-V664 HydrophobicContact CE-CG2 4.47Å; M584-V664 HydrophobicContact SD-CB 4.43Å; M584-V664 HydrophobicContact SD-CG1 4.5Å; M584-V664 HydrophobicContact SD-CG2 4.22Å; N662-V664 PolarHBondContact O-N 3.15Å; V664-S666 PolarHBondContact O-N 3.28Å
665	D	88.2	Confident	93.2	Very high	97 Å²	97	33.3 Å²	33.3	52%	0.519	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.9	174.4	67.9	-17	0	0	0	113.6	R663 S667	R663-D665 PolarHBondContact O-N 3.26Å; R663-D665 VanDerWaalsContact O-N 3.17Å; D665-S667 PolarHBondContact O-N 3.25Å; D665-S667 VanDerWaalsContact OD1-CB 3.25Å; D665-S667 WeakPolarHBondContact OD1-CB 3.42Å; D665-S667 PolarHBondContact OD1-N 3.37Å; D665-S667 PolarHBondContact OD1-OG 2.69Å
666	S	92.3	Very high	93	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.			trans	62.9	25.3	-174.9	-53.1	0	0	0	0	113.8	G343 Q345 R663 V664 N685 Q687 T688	G343-S666 WeakPolarHBondContact O-CB 3.4Å; G343-S666 PolarHBondContact O-OG 2.84Å; Q345-S666 PolarHBondContact N-OG 3.23Å; Q345-S666 PolarHBondContact NE2-OG 3.3Å; R663-S666 WeakPolarHBondContact O-CA 3.26Å; R663-S666 PolarHBondContact O-N 3.42Å; V664-S666 PolarHBondContact O-N 3.28Å; S666-N685 VanDerWaalsContact O-CB 3.32Å; S666-N685 WeakPolarHBondContact O-CB 3.44Å; S666-N685 PolarHBondContact O-ND2 3.31Å; S666-N685 VanDerWaalsContact O-ND2 3.15Å; S666-Q687 PolarHBondContact OG-NE2 3.12Å; S666-T688 WeakPolarHBondContact O-CB 3.47Å; S666-T688 PolarHBondContact O-OG1 3.47Å
667	S	95	Very high	92.9	Very high	24 Å²	24	33.5 Å²	33.5	17%	0.168	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-60.8	151.9	170.3	55.2	0	0	0	0	112	R663 D665 N685	R663-S667 WeakPolarHBondContact CD-O 3.33Å; R663-S667 PolarHBondContact NH1-OG 2.84Å; R663-S667 VanDerWaalsContact NH1-OG 3.14Å; D665-S667 PolarHBondContact O-N 3.25Å; D665-S667 VanDerWaalsContact OD1-CB 3.25Å; D665-S667 WeakPolarHBondContact OD1-CB 3.42Å; D665-S667 PolarHBondContact OD1-N 3.37Å; D665-S667 PolarHBondContact OD1-OG 2.69Å; S667-N685 PolarHBondContact O-ND2 3.23Å
668	N	96.9	Very high	92.8	Very high	13 Å²	13	33.5 Å²	33.5	7%	0.07	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-99.8	155.8	178.2	-70.8	-55.8	0	0	0	112.7	R663 L684 N685 T688 D690 A692	R663-N668 PolarHBondContact NH1-O 3.06Å; R663-N668 VanDerWaalsContact NH1-O 3.11Å; N668-L684 HydrophobicContact CB-CD2 4.12Å; N668-L684 WeakPolarHBondContact OD1-CA 3.09Å; N668-L684 WeakPolarHBondContact OD1-CB 3.36Å; N668-N685 PolarHBondContact ND2-O 3.49Å; N668-N685 WeakPolarHBondContact OD1-CB 3.43Å; N668-N685 PolarHBondContact OD1-N 3.18Å; N668-T688 PolarHBondContact ND2-O 2.98Å; N668-D690 WeakPolarHBondContact CB-OD1 3.38Å; N668-D690 VanDerWaalsContact CB-OD2 3.31Å; N668-D690 WeakPolarHBondContact CB-OD2 3.37Å; N668-D690 PolarHBondContact N-OD2 3.37Å; N668-D690 PolarHBondContact ND2-OD1 3.16Å; N668-D690 VanDerWaalsContact ND2-OD1 3.11Å; N668-A692 HydrophobicContact CB-CB 3.57Å
669	Y	96.8	Very high	92.9	Very high	5 Å²	5	31 Å²	31	2%	0.02	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-88.4	165.1	164.7	60.9	-100.8	0	0	0	110.1	E632 I657 P659 P671 F674 V682 A683 L684 A692	E632-Y669 HydrophobicContact CB-CD1 4.28Å; E632-Y669 HydrophobicContact CG-CD1 4.15Å; E632-Y669 HydrophobicContact CG-CG 4.12Å; E632-Y669 WeakPolarHBondContact OE1-CB 3.26Å; I657-Y669 HydrophobicContact CG2-CE2 4.43Å; I657-Y669 PolarHBondContact O-OH 3.09Å; I657-Y669 VanDerWaalsContact O-OH 3.07Å; P659-Y669 HydrophobicContact CB-CD1 4.11Å; P659-Y669 HydrophobicContact CB-CE1 4.19Å; P659-Y669 HydrophobicContact CG-CD1 4.05Å; P659-Y669 HydrophobicContact CG-CE1 3.73Å; Y669-P671 WeakPolarHBondContact O-CD 3.27Å; Y669-F674 AromaticContact CD2-CD2 3.74Å; Y669-F674 HydrophobicContact CD2-CD2 3.74Å; Y669-F674 AromaticContact CD2-CE2 3.38Å; Y669-F674 HydrophobicContact CD2-CE2 3.38Å; Y669-F674 AromaticContact CE2-CD2 3.43Å; Y669-F674 HydrophobicContact CE2-CD2 3.43Å; Y669-F674 VanDerWaalsContact CE2-CD2 3.43Å; Y669-F674 AromaticContact CE2-CE2 3.44Å; Y669-F674 HydrophobicContact CE2-CE2 3.44Å; Y669-F674 VanDerWaalsContact CE2-CE2 3.44Å; Y669-F674 HydrophobicContact CG-CE2 4.13Å; Y669-V682 HydrophobicContact CE2-CG1 3.51Å; Y669-V682 WeakPolarHBondContact OH-CG1 3.41Å; Y669-A683 WeakPolarHBondContact CE1-O 3.31Å; Y669-A683 PolarHBondContact OH-N 2.75Å; Y669-A683 PolarHBondContact OH-O 2.81Å; Y669-L684 HydrophobicContact CD2-CD2 4.27Å; Y669-L684 HydrophobicContact CE1-CD2 4.18Å; Y669-L684 HydrophobicContact CE2-CD2 3.9Å; Y669-A692 WeakPolarHBondContact O-CB 3.41Å
670	M	96.6	Very high	93.1	Very high	36 Å²	36	30.8 Å²	30.8	18%	0.177	17%	0.171	C	C	.	.			trans	-75.3	110.8	180	-177.9	57.6	63.1	0	0	110.7	Q672 I673 L691 L695 Y762	M670-Q672 VanDerWaalsContact C-N 3.29Å; M670-Q672 HydrophobicContact CG-CB 4.23Å; M670-Q672 PolarHBondContact O-N 3.36Å; M670-Q672 HydrophobicContact SD-CB 4.41Å; M670-I673 HydrophobicContact CB-CD1 3.88Å; M670-I673 HydrophobicContact CB-CG1 4.14Å; M670-I673 HydrophobicContact CG-CD1 4.39Å; M670-I673 HydrophobicContact CG-CG1 4.17Å; M670-I673 PolarHBondContact O-N 2.8Å; M670-L691 HydrophobicContact CE-CD2 3.83Å; M670-L691 HydrophobicContact CE-CG 4.09Å; M670-L695 HydrophobicContact CE-CD1 4Å; M670-L695 HydrophobicContact SD-CD1 3.44Å; M670-L695 WeakPolarHBondContact SD-CD1 3.39Å; M670-Y762 HydrophobicContact CE-CD1 4.15Å; M670-Y762 HydrophobicContact CE-CE1 3.7Å; M670-Y762 HydrophobicContact SD-CD1 4.01Å; M670-Y762 HydrophobicContact SD-CE1 4.19Å
671	P	97.7	Very high	93.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.4	-172.2	28.1	-37.2	0	0	0	112.9	Y669 I673 F674 W675 V682 L684	Y669-P671 WeakPolarHBondContact O-CD 3.27Å; P671-I673 PolarHBondContact O-N 2.86Å; P671-I673 VanDerWaalsContact O-N 3.11Å; P671-F674 PolarHBondContact O-N 3.17Å; P671-W675 HydrophobicContact CB-CD2 4.27Å; P671-W675 HydrophobicContact CB-CE3 4.31Å; P671-W675 HydrophobicContact CB-CH2 3.68Å; P671-W675 HydrophobicContact CB-CZ2 3.65Å; P671-W675 HydrophobicContact CB-CZ3 4.03Å; P671-W675 HydrophobicContact CG-CE3 4.48Å; P671-W675 HydrophobicContact CG-CH2 3.57Å; P671-W675 HydrophobicContact CG-CZ2 4.08Å; P671-W675 HydrophobicContact CG-CZ3 3.81Å; P671-W675 PolarHBondContact O-N 3.5Å; P671-V682 HydrophobicContact CB-CG1 3.71Å; P671-L684 HydrophobicContact CB-CD1 4.24Å; P671-L684 HydrophobicContact CB-CD2 4.46Å; P671-L684 HydrophobicContact CG-CD1 4.14Å
672	Q	96.1	Very high	94.5	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-53.8	-34.1	179.5	-170.8	64	52.5	0	0	112.7	M670 F674 W675 N676 G763	M670-Q672 VanDerWaalsContact C-N 3.29Å; M670-Q672 HydrophobicContact CG-CB 4.23Å; M670-Q672 PolarHBondContact O-N 3.36Å; M670-Q672 HydrophobicContact SD-CB 4.41Å; Q672-F674 VanDerWaalsContact C-N 3.26Å; Q672-F674 PolarHBondContact O-N 2.75Å; Q672-W675 HydrophobicContact CB-CE3 4.35Å; Q672-W675 PolarHBondContact O-N 2.79Å; Q672-N676 PolarHBondContact NE2-OD1 3.12Å; Q672-N676 PolarHBondContact O-N 3.34Å; Q672-N676 PolarHBondContact O-ND2 3.32Å; Q672-N676 PolarHBondContact O-OD1 3.28Å; Q672-N676 VanDerWaalsContact O-OD1 3.1Å; Q672-G763 WeakPolarHBondContact CG-O 3.36Å
673	I	95.8	Very high	95.4	Very high	63 Å²	63	16.9 Å²	16.9	32%	0.323	9%	0.089	S	C	.	.	H	α-helix	trans	-56.3	-43.1	178.2	-63	175.6	0	0	0	111.1	L636 L639 M670 P671	L636-I673 HydrophobicContact CD2-CG2 4Å; L639-I673 HydrophobicContact CD2-CG2 3.47Å; L639-I673 VanDerWaalsContact CD2-CG2 3.47Å; M670-I673 HydrophobicContact CB-CD1 3.88Å; M670-I673 HydrophobicContact CB-CG1 4.14Å; M670-I673 HydrophobicContact CG-CD1 4.39Å; M670-I673 HydrophobicContact CG-CG1 4.17Å; M670-I673 PolarHBondContact O-N 2.8Å; P671-I673 PolarHBondContact O-N 2.86Å; P671-I673 VanDerWaalsContact O-N 3.11Å
674	F	97.8	Very high	95.9	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-88.2	-28.9	-177.2	-56.6	-67.3	0	0	0	112.3	E632 A635 L636 I657 Y669 P671 Q672 N676 A677 G678 C679 V682	E632-F674 HydrophobicContact CG-CE2 4.45Å; E632-F674 HydrophobicContact CG-CZ 4.19Å; A635-F674 HydrophobicContact CB-CD1 4.04Å; A635-F674 HydrophobicContact CB-CE1 3.44Å; A635-F674 VanDerWaalsContact CB-CE1 3.44Å; A635-F674 HydrophobicContact CB-CZ 4.15Å; L636-F674 HydrophobicContact CD2-CE1 4.29Å; L636-F674 HydrophobicContact CD2-CZ 4.13Å; L636-F674 HydrophobicContact CG-CE1 4.23Å; L636-F674 HydrophobicContact CG-CZ 3.95Å; I657-F674 HydrophobicContact CB-CG 4.44Å; I657-F674 HydrophobicContact CG1-CB 4.1Å; I657-F674 HydrophobicContact CG1-CD1 4.18Å; I657-F674 HydrophobicContact CG1-CG 4.04Å; I657-F674 HydrophobicContact CG2-CD1 4.2Å; I657-F674 HydrophobicContact CG2-CD2 3.92Å; I657-F674 HydrophobicContact CG2-CE1 4.13Å; I657-F674 HydrophobicContact CG2-CE2 3.82Å; I657-F674 HydrophobicContact CG2-CG 4.09Å; I657-F674 HydrophobicContact CG2-CZ 3.91Å; Y669-F674 AromaticContact CD2-CD2 3.74Å; Y669-F674 HydrophobicContact CD2-CD2 3.74Å; Y669-F674 AromaticContact CD2-CE2 3.38Å; Y669-F674 HydrophobicContact CD2-CE2 3.38Å; Y669-F674 AromaticContact CE2-CD2 3.43Å; Y669-F674 HydrophobicContact CE2-CD2 3.43Å; Y669-F674 VanDerWaalsContact CE2-CD2 3.43Å; Y669-F674 AromaticContact CE2-CE2 3.44Å; Y669-F674 HydrophobicContact CE2-CE2 3.44Å; Y669-F674 VanDerWaalsContact CE2-CE2 3.44Å; Y669-F674 HydrophobicContact CG-CE2 4.13Å; P671-F674 PolarHBondContact O-N 3.17Å; Q672-F674 VanDerWaalsContact C-N 3.26Å; Q672-F674 PolarHBondContact O-N 2.75Å; F674-N676 PolarHBondContact O-N 2.86Å; F674-A677 WeakPolarHBondContact O-CB 3.26Å; F674-A677 PolarHBondContact O-N 3.12Å; F674-G678 PolarHBondContact O-N 3.18Å; F674-C679 HydrophobicContact CB-CB 4.08Å; F674-C679 WeakPolarHBondContact O-CB 3.27Å; F674-C679 PolarHBondContact O-N 2.69Å; F674-C679 VanDerWaalsContact O-N 3.11Å; F674-C679 PolarHBondContact O-SG 3.14Å; F674-V682 HydrophobicContact CB-CG1 4.23Å; F674-V682 HydrophobicContact CB-CG2 3.84Å; F674-V682 HydrophobicContact CD2-CG1 4.21Å
675	W	97.4	Very high	96.5	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.008	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-34.7	168.7	-66.2	-29.9	0	0	0	112	Y332 P671 Q672 A677 G678 N696 K699 F700 M715	Y332-W675 HydrophobicContact CD1-CB 4.23Å; Y332-W675 AromaticContact CD1-CD1 3.45Å; Y332-W675 VanDerWaalsContact CD1-CD1 3.45Å; Y332-W675 AromaticContact CD1-CG 4Å; Y332-W675 HydrophobicContact CD1-CG 4Å; Y332-W675 HydrophobicContact CE1-CB 3.69Å; Y332-W675 AromaticContact CE1-CD1 3.79Å; Y332-W675 AromaticContact CE1-CG 3.98Å; Y332-W675 HydrophobicContact CE1-CG 3.98Å; Y332-W675 WeakPolarHBondContact CE1-O 3.24Å; Y332-W675 HydrophobicContact CG-CG 4.5Å; Y332-W675 PolarHBondContact OH-O 3.24Å; P671-W675 HydrophobicContact CB-CD2 4.27Å; P671-W675 HydrophobicContact CB-CE3 4.31Å; P671-W675 HydrophobicContact CB-CH2 3.68Å; P671-W675 HydrophobicContact CB-CZ2 3.65Å; P671-W675 HydrophobicContact CB-CZ3 4.03Å; P671-W675 HydrophobicContact CG-CE3 4.48Å; P671-W675 HydrophobicContact CG-CH2 3.57Å; P671-W675 HydrophobicContact CG-CZ2 4.08Å; P671-W675 HydrophobicContact CG-CZ3 3.81Å; P671-W675 PolarHBondContact O-N 3.5Å; Q672-W675 HydrophobicContact CB-CE3 4.35Å; Q672-W675 PolarHBondContact O-N 2.79Å; W675-A677 PolarHBondContact O-N 3.29Å; W675-G678 WeakPolarHBondContact O-CA 3.48Å; W675-G678 PolarHBondContact O-N 3.06Å; W675-N696 HydrophobicContact CH2-CB 4.38Å; W675-K699 HydrophobicContact CD2-CD 4.47Å; W675-K699 HydrophobicContact CE3-CD 3.82Å; W675-K699 HydrophobicContact CH2-CD 3.97Å; W675-K699 HydrophobicContact CZ3-CD 3.55Å; W675-F700 AromaticContact CZ2-CE2 3.88Å; W675-F700 HydrophobicContact CZ2-CE2 3.88Å; W675-M715 WeakPolarHBondContact O-CE 3.47Å
676	N	95.2	Very high	97	Very high	7 Å²	7	7.9 Å²	7.9	4%	0.037	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.1	173.1	-63	-16.2	0	0	0	112.4	Q672 F674 G678 M715 F722 P724 G763 L764 L803	Q672-N676 PolarHBondContact NE2-OD1 3.12Å; Q672-N676 PolarHBondContact O-N 3.34Å; Q672-N676 PolarHBondContact O-ND2 3.32Å; Q672-N676 PolarHBondContact O-OD1 3.28Å; Q672-N676 VanDerWaalsContact O-OD1 3.1Å; F674-N676 PolarHBondContact O-N 2.86Å; N676-G678 VanDerWaalsContact C-N 3.31Å; N676-M715 WeakPolarHBondContact O-CE 3.49Å; N676-F722 WeakPolarHBondContact O-CE1 3.21Å; N676-P724 HydrophobicContact CB-CB 4.14Å; N676-G763 PolarHBondContact ND2-O 3.01Å; N676-G763 PolarHBondContact OD1-O 2.74Å; N676-L764 HydrophobicContact CB-CD2 4.1Å; N676-L803 WeakPolarHBondContact OD1-CD2 3.48Å
677	A	96	Very high	97.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.3	173.9	0	0	0	0	0	113.5	L639 F646 V647 N650 F674 W675	L639-A677 HydrophobicContact CD1-CB 3.79Å; F646-A677 HydrophobicContact CD1-CB 4.17Å; F646-A677 HydrophobicContact CG-CB 4.42Å; V647-A677 WeakPolarHBondContact CA-O 3.23Å; N650-A677 PolarHBondContact ND2-O 2.8Å; F674-A677 WeakPolarHBondContact O-CB 3.26Å; F674-A677 PolarHBondContact O-N 3.12Å; W675-A677 PolarHBondContact O-N 3.29Å
678	G	96.7	Very high	97.1	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.01	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	9.5	179.2	0	0	0	0	0	114.6	N650 F674 W675 N676 Q680 K711	N650-G678 WeakPolarHBondContact CB-O 3.37Å; F674-G678 PolarHBondContact O-N 3.18Å; W675-G678 WeakPolarHBondContact O-CA 3.48Å; W675-G678 PolarHBondContact O-N 3.06Å; N676-G678 VanDerWaalsContact C-N 3.31Å; G678-Q680 PolarHBondContact O-N 3.41Å; G678-K711 PolarHBondContact O-NZ 2.78Å
679	C	98.5	Very high	97	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.			trans	-62.5	131	179	-55.9	0	0	0	0	110.6	Y332 F646 N650 S655 I657 F674 V682	Y332-C679 WeakPolarHBondContact CD1-O 3.26Å; F646-C679 VanDerWaalsContact CZ-SG 3.59Å; N650-C679 PolarHBondContact ND2-N 3.3Å; N650-C679 PolarHBondContact ND2-SG 3.02Å; N650-C679 VanDerWaalsContact ND2-SG 3.41Å; S655-C679 VanDerWaalsContact OG-CA 3.31Å; S655-C679 WeakPolarHBondContact OG-CA 3.45Å; S655-C679 VanDerWaalsContact OG-CB 3.31Å; S655-C679 WeakPolarHBondContact OG-CB 3.4Å; S655-C679 PolarHBondContact OG-SG 2.76Å; S655-C679 VanDerWaalsContact OG-SG 3.39Å; I657-C679 HydrophobicContact CD1-CB 4.47Å; I657-C679 HydrophobicContact CG1-CB 4.01Å; F674-C679 HydrophobicContact CB-CB 4.08Å; F674-C679 WeakPolarHBondContact O-CB 3.27Å; F674-C679 PolarHBondContact O-N 2.69Å; F674-C679 VanDerWaalsContact O-N 3.11Å; F674-C679 PolarHBondContact O-SG 3.14Å; C679-V682 HydrophobicContact CB-CG2 3.93Å
680	Q	98.7	Very high	96.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-87.1	-50.7	-170.1	-57.8	84.4	-5.8	0	0	111.4	S329 Y331 I333 N650 Q653 M654 S655 G678 V682	S329-Q680 PolarHBondContact O-NE2 2.95Å; Y331-Q680 WeakPolarHBondContact O-CB 2.91Å; Y331-Q680 WeakPolarHBondContact O-CG 3.19Å; I333-Q680 HydrophobicContact CD1-CB 4.19Å; I333-Q680 HydrophobicContact CG1-CB 4.19Å; I333-Q680 PolarHBondContact N-O 2.99Å; I333-Q680 VanDerWaalsContact O-O 3.12Å; N650-Q680 PolarHBondContact O-NE2 3.12Å; N650-Q680 PolarHBondContact OD1-OE1 2.9Å; Q653-Q680 PolarHBondContact O-NE2 3.36Å; M654-Q680 VanDerWaalsContact CA-OE1 3.31Å; S655-Q680 PolarHBondContact OG-OE1 3.29Å; G678-Q680 PolarHBondContact O-N 3.41Å; Q680-V682 PolarHBondContact O-N 3.21Å
681	M	98.6	Very high	96.9	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	74	-175.3	-69.8	172.3	-77.1	0	0	111	I333 S335 C365 I414 M627 M654 S655 R656 I657 A683	I333-M681 HydrophobicContact CB-CG 4.26Å; I333-M681 HydrophobicContact CD1-CG 4.26Å; S335-M681 VanDerWaalsContact OG-CA 3.26Å; S335-M681 WeakPolarHBondContact OG-CA 3.37Å; C365-M681 HydrophobicContact CB-CG 4.3Å; C365-M681 HydrophobicContact CB-SD 4.43Å; I414-M681 HydrophobicContact CD1-SD 3.85Å; M627-M681 HydrophobicContact CE-CE 3.43Å; M627-M681 VanDerWaalsContact CE-CE 3.43Å; M654-M681 HydrophobicContact CB-CE 3.73Å; M654-M681 HydrophobicContact CG-CE 4.46Å; M654-M681 HydrophobicContact SD-CE 4.11Å; S655-M681 PolarHBondContact O-N 3.22Å; S655-M681 VanDerWaalsContact O-N 3.08Å; R656-M681 CarbonylContact C-O 3.6Å; R656-M681 VanDerWaalsContact CA-O 3.26Å; R656-M681 WeakPolarHBondContact CA-O 3.29Å; R656-M681 HydrophobicContact CB-CB 3.93Å; R656-M681 HydrophobicContact CB-CE 4.25Å; R656-M681 HydrophobicContact CG-CB 3.97Å; I657-M681 PolarHBondContact N-O 3.45Å; M681-A683 PolarHBondContact O-N 2.98Å
682	V	98.6	Very high	96.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	89.6	178.2	-175.2	0	0	0	0	108.7	Y669 P671 F674 C679 Q680	Y669-V682 HydrophobicContact CE2-CG1 3.51Å; Y669-V682 WeakPolarHBondContact OH-CG1 3.41Å; P671-V682 HydrophobicContact CB-CG1 3.71Å; F674-V682 HydrophobicContact CB-CG1 4.23Å; F674-V682 HydrophobicContact CB-CG2 3.84Å; F674-V682 HydrophobicContact CD2-CG1 4.21Å; C679-V682 HydrophobicContact CB-CG2 3.93Å; Q680-V682 PolarHBondContact O-N 3.21Å
683	A	98.6	Very high	96.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.1	-168.6	0	0	0	0	0	112.8	S335 H337 I657 Y669 M681	S335-A683 WeakPolarHBondContact O-CA 3.34Å; H337-A683 HydrophobicContact CB-CB 3.95Å; I657-A683 VanDerWaalsContact O-CB 3.26Å; I657-A683 WeakPolarHBondContact O-CB 3.13Å; I657-A683 PolarHBondContact O-N 3.36Å; Y669-A683 WeakPolarHBondContact CE1-O 3.31Å; Y669-A683 PolarHBondContact OH-N 2.75Å; Y669-A683 PolarHBondContact OH-O 2.81Å; M681-A683 PolarHBondContact O-N 2.98Å
684	L	98.5	Very high	97	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	157.8	-179	-59.5	-179.6	0	0	0	112	S335 S336 H337 N668 Y669 P671 F686 M693 N696	S335-L684 PolarHBondContact O-N 3.27Å; S336-L684 CarbonylContact C-O 3.52Å; S336-L684 WeakPolarHBondContact CA-O 3.27Å; H337-L684 PolarHBondContact N-O 3.38Å; N668-L684 HydrophobicContact CB-CD2 4.12Å; N668-L684 WeakPolarHBondContact OD1-CA 3.09Å; N668-L684 WeakPolarHBondContact OD1-CB 3.36Å; Y669-L684 HydrophobicContact CD2-CD2 4.27Å; Y669-L684 HydrophobicContact CE1-CD2 4.18Å; Y669-L684 HydrophobicContact CE2-CD2 3.9Å; P671-L684 HydrophobicContact CB-CD1 4.24Å; P671-L684 HydrophobicContact CB-CD2 4.46Å; P671-L684 HydrophobicContact CG-CD1 4.14Å; L684-F686 WeakPolarHBondContact O-CD2 3.44Å; L684-F686 PolarHBondContact O-N 2.9Å; L684-M693 HydrophobicContact CB-CE 3.46Å; L684-M693 VanDerWaalsContact CB-CE 3.46Å; L684-M693 HydrophobicContact CD1-CE 4.03Å; L684-M693 HydrophobicContact CG-CE 4.42Å; L684-N696 HydrophobicContact CD1-CB 3.68Å
685	N	97.6	Very high	97	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	6%	0.057	C	C	.	.			trans	-78.2	100	172.5	-64.2	-43.5	0	0	0	109.9	H337 Q345 S666 S667 N668 Q687 T688 M693	H337-N685 PolarHBondContact ND1-OD1 3.23Å; Q345-N685 PolarHBondContact NE2-OD1 3.2Å; S666-N685 VanDerWaalsContact O-CB 3.32Å; S666-N685 WeakPolarHBondContact O-CB 3.44Å; S666-N685 PolarHBondContact O-ND2 3.31Å; S666-N685 VanDerWaalsContact O-ND2 3.15Å; S667-N685 PolarHBondContact O-ND2 3.23Å; N668-N685 PolarHBondContact ND2-O 3.49Å; N668-N685 WeakPolarHBondContact OD1-CB 3.43Å; N668-N685 PolarHBondContact OD1-N 3.18Å; N685-Q687 VanDerWaalsContact C-N 3.25Å; N685-Q687 VanDerWaalsContact CA-OE1 3.28Å; N685-Q687 PolarHBondContact O-N 3.32Å; N685-T688 PolarHBondContact O-N 3.47Å; N685-M693 WeakPolarHBondContact O-CE 3.33Å
686	F	97.4	Very high	97	Very high	7 Å²	7	10 Å²	10	3%	0.031	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.5	-175.6	-90.1	-126.3	0	0	0	114.1	L116 N334 S335 V358 C363 L684 T688 M693	L116-F686 HydrophobicContact CD1-CB 4.21Å; L116-F686 HydrophobicContact CD1-CD1 3.61Å; L116-F686 HydrophobicContact CD1-CG 4.37Å; N334-F686 WeakPolarHBondContact OD1-CZ 3.14Å; S335-F686 WeakPolarHBondContact O-CE2 3.47Å; V358-F686 HydrophobicContact CB-CD1 4.24Å; V358-F686 HydrophobicContact CG1-CD1 3.95Å; V358-F686 HydrophobicContact CG1-CE1 4.06Å; V358-F686 HydrophobicContact CG1-CG 4.34Å; V358-F686 HydrophobicContact CG2-CB 3.77Å; V358-F686 HydrophobicContact CG2-CD1 3.76Å; V358-F686 HydrophobicContact CG2-CG 3.95Å; C363-F686 HydrophobicContact CB-CE1 3.87Å; C363-F686 HydrophobicContact CB-CZ 3.84Å; L684-F686 WeakPolarHBondContact O-CD2 3.44Å; L684-F686 PolarHBondContact O-N 2.9Å; F686-T688 PolarHBondContact O-N 3.47Å; F686-M693 HydrophobicContact CB-CE 4.46Å; F686-M693 HydrophobicContact CD2-CE 3.6Å; F686-M693 HydrophobicContact CD2-SD 4.12Å; F686-M693 HydrophobicContact CE2-CE 4.02Å; F686-M693 HydrophobicContact CE2-SD 4.22Å; F686-M693 HydrophobicContact CG-CE 4.09Å; F686-M693 HydrophobicContact CG-SD 4.29Å
687	Q	94.3	Very high	97.1	Very high	17 Å²	17	10.8 Å²	10.8	8%	0.079	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.9	175	69.8	-85.8	38.6	0	0	113.8	V117 G343 M354 S666 N685	V117-Q687 HydrophobicContact CG2-CB 3.8Å; G343-Q687 PolarHBondContact O-NE2 2.82Å; M354-Q687 HydrophobicContact CE-CB 3.47Å; M354-Q687 VanDerWaalsContact CE-CB 3.47Å; S666-Q687 PolarHBondContact OG-NE2 3.12Å; N685-Q687 VanDerWaalsContact C-N 3.25Å; N685-Q687 VanDerWaalsContact CA-OE1 3.28Å; N685-Q687 PolarHBondContact O-N 3.32Å
688	T	95.8	Very high	97.1	Very high	34 Å²	34	10.8 Å²	10.8	21%	0.209	6%	0.06	C	C	.	.			trans	-115.9	101.8	-175.6	-59.4	0	0	0	0	110.1	S666 N668 N685 F686 D690 M693	S666-T688 WeakPolarHBondContact O-CB 3.47Å; S666-T688 PolarHBondContact O-OG1 3.47Å; N668-T688 PolarHBondContact ND2-O 2.98Å; N685-T688 PolarHBondContact O-N 3.47Å; F686-T688 PolarHBondContact O-N 3.47Å; T688-D690 HydrophobicContact CG2-CB 4.04Å; T688-D690 PolarHBondContact O-N 3.2Å; T688-M693 WeakPolarHBondContact O-CB 3.36Å
689	P	94.5	Very high	97	Very high	41 Å²	41	11.7 Å²	11.7	27%	0.266	6%	0.064	S	C	.	.			trans	-79.3	45.8	-178	34.5	-37.1	0	0	0	113	Q694 E840	P689-Q694 PolarHBondContact O-NE2 3.2Å; P689-Q694 VanDerWaalsContact O-NE2 3.11Å; P689-E840 HydrophobicContact CB-CB 4.05Å; P689-E840 HydrophobicContact CG-CB 4.37Å
690	D	95.2	Very high	97	Very high	40 Å²	40	11.8 Å²	11.8	21%	0.214	6%	0.064	C	C	.	.	S	Bend	trans	-72.5	-179.5	177.5	65.4	11.8	0	0	0	112.5	N668 T688 A692 M693 Q694	N668-D690 WeakPolarHBondContact CB-OD1 3.38Å; N668-D690 VanDerWaalsContact CB-OD2 3.31Å; N668-D690 WeakPolarHBondContact CB-OD2 3.37Å; N668-D690 PolarHBondContact N-OD2 3.37Å; N668-D690 PolarHBondContact ND2-OD1 3.16Å; N668-D690 VanDerWaalsContact ND2-OD1 3.11Å; T688-D690 HydrophobicContact CG2-CB 4.04Å; T688-D690 PolarHBondContact O-N 3.2Å; D690-A692 PolarHBondContact O-N 3.24Å; D690-A692 PolarHBondContact OD1-N 3.3Å; D690-M693 PolarHBondContact O-N 3.34Å; D690-M693 VanDerWaalsContact O-N 3.08Å; D690-M693 PolarHBondContact OD1-N 3.08Å; D690-M693 VanDerWaalsContact OD1-N 3.12Å; D690-Q694 WeakPolarHBondContact O-CG 3.5Å; D690-Q694 PolarHBondContact O-N 3.41Å
691	L	96.1	Very high	96.8	Very high	47 Å²	47	12.2 Å²	12.2	25%	0.246	7%	0.066	C	C	.	.	H	α-helix	trans	-52.7	-39.2	-179.2	172.8	63.3	0	0	0	113.1	M670 Q694 L695 Y762 R807	M670-L691 HydrophobicContact CE-CD2 3.83Å; M670-L691 HydrophobicContact CE-CG 4.09Å; L691-Q694 PolarHBondContact O-N 2.73Å; L691-L695 HydrophobicContact CD1-CD1 4.46Å; L691-L695 HydrophobicContact CD1-CG 4.48Å; L691-L695 WeakPolarHBondContact O-CG 3.15Å; L691-L695 PolarHBondContact O-N 2.86Å; L691-L695 VanDerWaalsContact O-N 3.1Å; L691-Y762 HydrophobicContact CD1-CE2 4.43Å; L691-Y762 HydrophobicContact CD2-CE1 4.44Å; L691-Y762 WeakPolarHBondContact CD2-OH 3.05Å; L691-R807 VanDerWaalsContact CD1-CD 3.42Å; L691-R807 VanDerWaalsContact CD1-NE 3.31Å
692	A	97.4	Very high	96.7	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.033	7%	0.067	C	C	.	.	H	α-helix	trans	-68.3	-42.1	-180	0	0	0	0	0	111.3	N668 Y669 D690 L695 N696	N668-A692 HydrophobicContact CB-CB 3.57Å; Y669-A692 WeakPolarHBondContact O-CB 3.41Å; D690-A692 PolarHBondContact O-N 3.24Å; D690-A692 PolarHBondContact OD1-N 3.3Å; A692-L695 PolarHBondContact O-N 3.07Å; A692-N696 PolarHBondContact O-N 2.83Å
693	M	97.5	Very high	96.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.3	-38.1	174.5	-171.2	54.7	56.3	0	0	112.4	L684 N685 F686 T688 D690 L695 N696 Q697	L684-M693 HydrophobicContact CB-CE 3.46Å; L684-M693 VanDerWaalsContact CB-CE 3.46Å; L684-M693 HydrophobicContact CD1-CE 4.03Å; L684-M693 HydrophobicContact CG-CE 4.42Å; N685-M693 WeakPolarHBondContact O-CE 3.33Å; F686-M693 HydrophobicContact CB-CE 4.46Å; F686-M693 HydrophobicContact CD2-CE 3.6Å; F686-M693 HydrophobicContact CD2-SD 4.12Å; F686-M693 HydrophobicContact CE2-CE 4.02Å; F686-M693 HydrophobicContact CE2-SD 4.22Å; F686-M693 HydrophobicContact CG-CE 4.09Å; F686-M693 HydrophobicContact CG-SD 4.29Å; T688-M693 WeakPolarHBondContact O-CB 3.36Å; D690-M693 PolarHBondContact O-N 3.34Å; D690-M693 VanDerWaalsContact O-N 3.08Å; D690-M693 PolarHBondContact OD1-N 3.08Å; D690-M693 VanDerWaalsContact OD1-N 3.12Å; M693-L695 VanDerWaalsContact C-N 3.33Å; M693-L695 PolarHBondContact O-N 3.44Å; M693-N696 WeakPolarHBondContact O-CB 3.31Å; M693-N696 PolarHBondContact O-N 3.3Å; M693-N696 HydrophobicContact SD-CB 4.35Å; M693-Q697 HydrophobicContact CG-CG 4.33Å; M693-Q697 PolarHBondContact O-N 2.91Å; M693-Q697 HydrophobicContact SD-CG 4.04Å
694	Q	97.3	Very high	96.3	Very high	8 Å²	8	13.4 Å²	13.4	4%	0.037	8%	0.076	C	C	.	.	H	α-helix	trans	-57.8	-45.2	174.4	-71.1	166.8	28.5	0	0	111.5	P689 D690 L691 G698 Q820 E840	P689-Q694 PolarHBondContact O-NE2 3.2Å; P689-Q694 VanDerWaalsContact O-NE2 3.11Å; D690-Q694 WeakPolarHBondContact O-CG 3.5Å; D690-Q694 PolarHBondContact O-N 3.41Å; L691-Q694 PolarHBondContact O-N 2.73Å; Q694-G698 PolarHBondContact O-N 3.08Å; Q694-Q820 HydrophobicContact CG-CG 4.25Å; Q694-E840 VanDerWaalsContact CG-O 3.31Å; Q694-E840 WeakPolarHBondContact CG-O 2.94Å
695	L	97.6	Very high	96.2	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-64.7	-41.9	175.2	-69.6	171.9	0	0	0	111.9	M670 L691 A692 M693 K699 Y762 V805 R807 V822	M670-L695 HydrophobicContact CE-CD1 4Å; M670-L695 HydrophobicContact SD-CD1 3.44Å; M670-L695 WeakPolarHBondContact SD-CD1 3.39Å; L691-L695 HydrophobicContact CD1-CD1 4.46Å; L691-L695 HydrophobicContact CD1-CG 4.48Å; L691-L695 WeakPolarHBondContact O-CG 3.15Å; L691-L695 PolarHBondContact O-N 2.86Å; L691-L695 VanDerWaalsContact O-N 3.1Å; A692-L695 PolarHBondContact O-N 3.07Å; M693-L695 VanDerWaalsContact C-N 3.33Å; M693-L695 PolarHBondContact O-N 3.44Å; L695-K699 VanDerWaalsContact O-CB 3.24Å; L695-K699 WeakPolarHBondContact O-CB 3.49Å; L695-K699 PolarHBondContact O-N 2.97Å; L695-Y762 HydrophobicContact CD1-CD1 3.79Å; L695-Y762 HydrophobicContact CD1-CD2 3.87Å; L695-Y762 HydrophobicContact CD1-CE1 4.02Å; L695-Y762 HydrophobicContact CD1-CE2 4.1Å; L695-Y762 HydrophobicContact CD1-CG 3.73Å; L695-Y762 HydrophobicContact CD2-CD2 3.58Å; L695-Y762 HydrophobicContact CD2-CE2 4.01Å; L695-Y762 HydrophobicContact CD2-CG 4.1Å; L695-Y762 HydrophobicContact CG-CD2 4.36Å; L695-V805 HydrophobicContact CD2-CG2 3.89Å; L695-R807 HydrophobicContact CD2-CB 4.44Å; L695-V822 HydrophobicContact CD2-CG1 4.1Å; L695-V822 HydrophobicContact CD2-CG2 4.03Å
696	N	97.9	Very high	96.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.5	-55.5	177.5	-174.9	72.9	0	0	0	112.3	N334 W675 L684 A692 M693 G698 K699 F700	N334-N696 PolarHBondContact OD1-ND2 3.34Å; W675-N696 HydrophobicContact CH2-CB 4.38Å; L684-N696 HydrophobicContact CD1-CB 3.68Å; A692-N696 PolarHBondContact O-N 2.83Å; M693-N696 WeakPolarHBondContact O-CB 3.31Å; M693-N696 PolarHBondContact O-N 3.3Å; M693-N696 HydrophobicContact SD-CB 4.35Å; N696-G698 VanDerWaalsContact C-N 3.32Å; N696-G698 PolarHBondContact O-N 3.24Å; N696-K699 PolarHBondContact O-N 3.45Å; N696-F700 WeakPolarHBondContact O-CD2 3.25Å; N696-F700 PolarHBondContact O-N 2.79Å; N696-F700 WeakPolarHBondContact OD1-CD2 3.47Å; N696-F700 VanDerWaalsContact OD1-CE2 3.27Å; N696-F700 WeakPolarHBondContact OD1-CE2 3.25Å
697	Q	96.1	Very high	96.2	Very high	23 Å²	23	14.4 Å²	14.4	11%	0.107	8%	0.082	C	C	.	.	H	α-helix	trans	-64.3	-38.1	-179.8	-69.3	-175.4	-27.3	0	0	112.2	M693 E701 G841 N842	M693-Q697 HydrophobicContact CG-CG 4.33Å; M693-Q697 PolarHBondContact O-N 2.91Å; M693-Q697 HydrophobicContact SD-CG 4.04Å; Q697-E701 PolarHBondContact O-N 3.22Å; Q697-E701 VanDerWaalsContact O-N 3.16Å; Q697-G841 PolarHBondContact OE1-O 2.9Å; Q697-N842 HydrophobicContact CB-CB 3.71Å; Q697-N842 PolarHBondContact O-ND2 3.27Å; Q697-N842 VanDerWaalsContact OE1-CB 3.29Å
698	G	95.8	Very high	96.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.4	-39	176.3	0	0	0	0	0	113.4	Q694 N696 Y702	Q694-G698 PolarHBondContact O-N 3.08Å; N696-G698 VanDerWaalsContact C-N 3.32Å; N696-G698 PolarHBondContact O-N 3.24Å; G698-Y702 WeakPolarHBondContact O-CD2 3.44Å; G698-Y702 VanDerWaalsContact O-CE2 3.3Å; G698-Y702 WeakPolarHBondContact O-CE2 3.44Å
699	K	95.5	Very high	96.5	Very high	20 Å²	20	12.5 Å²	12.5	9%	0.087	7%	0.071	C	C	.	.	H	α-helix	trans	-72.2	-45	178.2	-163.8	-176.4	-179.6	74.1	0	111.7	W675 L695 N696 E701 L709 L803 V805	W675-K699 HydrophobicContact CD2-CD 4.47Å; W675-K699 HydrophobicContact CE3-CD 3.82Å; W675-K699 HydrophobicContact CH2-CD 3.97Å; W675-K699 HydrophobicContact CZ3-CD 3.55Å; L695-K699 VanDerWaalsContact O-CB 3.24Å; L695-K699 WeakPolarHBondContact O-CB 3.49Å; L695-K699 PolarHBondContact O-N 2.97Å; N696-K699 PolarHBondContact O-N 3.45Å; K699-E701 VanDerWaalsContact C-N 3.31Å; K699-E701 PolarHBondContact O-N 3.03Å; K699-L709 HydrophobicContact CD-CD1 4.19Å; K699-L709 HydrophobicContact CG-CD1 3.7Å; K699-L709 WeakPolarHBondContact O-CD1 3.47Å; K699-L803 PolarHBondContact NZ-O 2.86Å; K699-V805 HydrophobicContact CG-CG1 4.5Å
700	F	97.2	Very high	96.7	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-80	-4.2	-176.8	-78.4	-71.5	0	0	0	115.2	N334 W675 N696 Y702 N705 G707 L709	N334-F700 HydrophobicContact CB-CB 4.4Å; N334-F700 HydrophobicContact CB-CD1 3.78Å; N334-F700 HydrophobicContact CB-CD2 3.78Å; N334-F700 HydrophobicContact CB-CE1 3.89Å; N334-F700 HydrophobicContact CB-CE2 3.9Å; N334-F700 HydrophobicContact CB-CG 3.73Å; N334-F700 HydrophobicContact CB-CZ 3.95Å; N334-F700 VanDerWaalsContact N-CZ 3.31Å; W675-F700 AromaticContact CZ2-CE2 3.88Å; W675-F700 HydrophobicContact CZ2-CE2 3.88Å; N696-F700 WeakPolarHBondContact O-CD2 3.25Å; N696-F700 PolarHBondContact O-N 2.79Å; N696-F700 WeakPolarHBondContact OD1-CD2 3.47Å; N696-F700 VanDerWaalsContact OD1-CE2 3.27Å; N696-F700 WeakPolarHBondContact OD1-CE2 3.25Å; F700-Y702 PolarHBondContact O-N 2.84Å; F700-N705 WeakPolarHBondContact O-CA 3.47Å; F700-N705 PolarHBondContact O-OD1 2.93Å; F700-G707 WeakPolarHBondContact CE1-O 3.44Å; F700-L709 HydrophobicContact CD1-CD1 3.72Å; F700-L709 HydrophobicContact CD1-CG 3.79Å; F700-L709 HydrophobicContact CE1-CB 4.4Å; F700-L709 HydrophobicContact CE1-CD1 3.84Å; F700-L709 HydrophobicContact CE1-CG 3.86Å; F700-L709 HydrophobicContact CG-CD1 4.23Å; F700-L709 HydrophobicContact CZ-CD1 4.44Å
701	E	95.7	Very high	96.8	Very high	9 Å²	9	10.4 Å²	10.4	4%	0.042	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.5	169.8	179.6	175.8	-140.6	0	0	112.2	T146 N150 L318 Q697 K699 N705 R821 R838	T146-E701 HydrophobicContact CG2-CG 3.91Å; N150-E701 PolarHBondContact ND2-OE1 3.02Å; L318-E701 HydrophobicContact CD2-CG 4.43Å; Q697-E701 PolarHBondContact O-N 3.22Å; Q697-E701 VanDerWaalsContact O-N 3.16Å; K699-E701 VanDerWaalsContact C-N 3.31Å; K699-E701 PolarHBondContact O-N 3.03Å; E701-N705 PolarHBondContact O-N 3.34Å; E701-R821 IonicContact OE1-NH1 3.45Å; E701-R821 IonicContact OE2-CZ 3.33Å; E701-R821 VanDerWaalsContact OE2-CZ 3.26Å; E701-R821 IonicContact OE2-NH1 2.7Å; E701-R821 PolarHBondContact OE2-NH1 3.21Å; E701-R821 IonicContact OE2-NH2 3.09Å; E701-R821 PolarHBondContact OE2-NH2 2.86Å; E701-R838 IonicContact OE1-CZ 2.79Å; E701-R838 VanDerWaalsContact OE1-CZ 3.25Å; E701-R838 IonicContact OE1-NH1 3.54Å; E701-R838 PolarHBondContact OE1-NH1 3.22Å; E701-R838 IonicContact OE1-NH2 3.26Å; E701-R838 PolarHBondContact OE1-NH2 3.02Å; E701-R838 IonicContact OE2-NH1 3.8Å; E701-R838 IonicContact OE2-NH2 3.03Å
702	Y	95.3	Very high	96.6	Very high	7 Å²	7	8.8 Å²	8.8	3%	0.027	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	166.7	-179.9	-62.9	-89.4	0	0	0	111.8	V313 K317 L318 G698 F700 L823 P824	V313-Y702 HydrophobicContact CB-CE1 4.47Å; V313-Y702 HydrophobicContact CG2-CE1 4.18Å; K317-Y702 HydrophobicContact CB-CD1 4.1Å; L318-Y702 HydrophobicContact CD2-CD1 4.28Å; L318-Y702 HydrophobicContact CD2-CE1 4.3Å; G698-Y702 WeakPolarHBondContact O-CD2 3.44Å; G698-Y702 VanDerWaalsContact O-CE2 3.3Å; G698-Y702 WeakPolarHBondContact O-CE2 3.44Å; F700-Y702 PolarHBondContact O-N 2.84Å; Y702-L823 WeakPolarHBondContact OH-CD2 3.33Å; Y702-P824 HydrophobicContact CD1-CG 4.14Å; Y702-P824 HydrophobicContact CD2-CG 4Å; Y702-P824 HydrophobicContact CE1-CG 3.84Å; Y702-P824 HydrophobicContact CE2-CG 3.74Å; Y702-P824 HydrophobicContact CG-CG 4.22Å; Y702-P824 VanDerWaalsContact OH-CD 3.23Å; Y702-P824 WeakPolarHBondContact OH-CD 3.36Å
703	N	95.9	Very high	96.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	44.5	-173.1	-161.4	41.2	0	0	0	112	K317 D319 I320 Y321 Q322 N705 C706 Y708 L709	K317-N703 PolarHBondContact O-N 3.07Å; D319-N703 CarbonylContact O-C 3.56Å; D319-N703 VanDerWaalsContact O-CA 3.28Å; D319-N703 WeakPolarHBondContact O-CA 3.24Å; I320-N703 WeakPolarHBondContact CA-OD1 3.36Å; Y321-N703 HydrophobicContact CD1-CB 4.35Å; Y321-N703 HydrophobicContact CE1-CB 4.18Å; Y321-N703 PolarHBondContact N-OD1 2.78Å; Q322-N703 HydrophobicContact CG-CB 4.47Å; Q322-N703 PolarHBondContact N-OD1 3.07Å; Q322-N703 VanDerWaalsContact N-OD1 3.09Å; N703-N705 PolarHBondContact O-N 2.96Å; N703-C706 PolarHBondContact ND2-SG 3.18Å; N703-C706 VanDerWaalsContact ND2-SG 3.43Å; N703-C706 WeakPolarHBondContact O-CB 3.47Å; N703-C706 PolarHBondContact O-N 2.65Å; N703-C706 PolarHBondContact O-SG 2.9Å; N703-Y708 PolarHBondContact ND2-O 2.91Å; N703-L709 HydrophobicContact CB-CD2 3.76Å
704	G	94.3	Very high	95.6	Very high	19 Å²	19	13.7 Å²	13.7	20%	0.196	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	17.8	176	0	0	0	0	0	115.8	L318 D319 C706	L318-G704 WeakPolarHBondContact O-CA 3.43Å; L318-G704 PolarHBondContact O-N 3.18Å; D319-G704 PolarHBondContact O-N 3.35Å; G704-C706 PolarHBondContact O-N 2.73Å; G704-C706 VanDerWaalsContact O-N 3.12Å
705	N	96.1	Very high	95.3	Very high	28 Å²	28	13.3 Å²	13.3	15%	0.15	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	30.1	-169.5	-168.2	48.5	0	0	0	112.6	T146 F700 E701 N703 G707	T146-N705 HydrophobicContact CG2-CB 4.14Å; F700-N705 WeakPolarHBondContact O-CA 3.47Å; F700-N705 PolarHBondContact O-OD1 2.93Å; E701-N705 PolarHBondContact O-N 3.34Å; N703-N705 PolarHBondContact O-N 2.96Å; N705-G707 PolarHBondContact O-N 3.09Å
706	C	97.2	Very high	95.2	Very high	1 Å²	1	15 Å²	15	1%	0.007	8%	0.076	C	C	.	.			trans	-76.4	-12	-172.6	73.9	0	0	0	0	113.2	I320 R364 S409 N703 G704 Y708	I320-C706 HydrophobicContact CD1-CB 4.28Å; I320-C706 HydrophobicContact CG1-CB 4.41Å; R364-C706 WeakPolarHBondContact CD-O 3.39Å; R364-C706 WeakPolarHBondContact CG-O 3.24Å; S409-C706 WeakPolarHBondContact CB-O 3.17Å; S409-C706 WeakPolarHBondContact OG-CA 3.38Å; S409-C706 PolarHBondContact OG-O 3.47Å; N703-C706 PolarHBondContact ND2-SG 3.18Å; N703-C706 VanDerWaalsContact ND2-SG 3.43Å; N703-C706 WeakPolarHBondContact O-CB 3.47Å; N703-C706 PolarHBondContact O-N 2.65Å; N703-C706 PolarHBondContact O-SG 2.9Å; G704-C706 PolarHBondContact O-N 2.73Å; G704-C706 VanDerWaalsContact O-N 3.12Å; C706-Y708 PolarHBondContact SG-O 3.11Å; C706-Y708 VanDerWaalsContact SG-O 3.36Å
707	G	98	Very high	94.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	9%	0.094	C	C	.	.	S	Bend	trans	83.3	5.8	-179.1	0	0	0	0	0	115	N334 G362 F700 N705	N334-G707 PolarHBondContact N-O 2.93Å; G362-G707 VanDerWaalsContact O-CA 3.3Å; G362-G707 WeakPolarHBondContact O-CA 3.5Å; F700-G707 WeakPolarHBondContact CE1-O 3.44Å; N705-G707 PolarHBondContact O-N 3.09Å
708	Y	98.6	Very high	94.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.5	176.4	-74.9	-98.2	0	0	0	110.2	M324 L328 Y331 Y332 I333 R364 C411 P412 P460 N703 C706	M324-Y708 HydrophobicContact CE-CG 4.49Å; L328-Y708 HydrophobicContact CD2-CE1 3.58Å; Y331-Y708 HydrophobicContact CG-CD1 4.13Å; Y332-Y708 WeakPolarHBondContact O-CA 3.23Å; I333-Y708 HydrophobicContact CB-CE1 4.34Å; I333-Y708 HydrophobicContact CD1-CD1 4.43Å; I333-Y708 HydrophobicContact CD1-CE1 3.67Å; I333-Y708 HydrophobicContact CG1-CD1 3.87Å; I333-Y708 HydrophobicContact CG1-CE1 3.54Å; I333-Y708 HydrophobicContact CG2-CE1 4.04Å; I333-Y708 HydrophobicContact CG2-CE2 4.48Å; R364-Y708 HydrophobicContact CB-CD2 4.43Å; R364-Y708 HydrophobicContact CB-CE2 3.68Å; R364-Y708 HydrophobicContact CG-CD2 3.87Å; R364-Y708 HydrophobicContact CG-CE2 3.48Å; R364-Y708 VanDerWaalsContact CG-CE2 3.48Å; C411-Y708 HydrophobicContact CB-CD2 3.46Å; C411-Y708 VanDerWaalsContact CB-CD2 3.46Å; C411-Y708 HydrophobicContact CB-CE2 3.53Å; P412-Y708 HydrophobicContact CG-CE2 4.28Å; P412-Y708 WeakPolarHBondContact O-CE2 3.43Å; P412-Y708 PolarHBondContact O-OH 3.44Å; P460-Y708 HydrophobicContact CG-CD1 3.98Å; P460-Y708 HydrophobicContact CG-CE1 4.25Å; N703-Y708 PolarHBondContact ND2-O 2.91Å; C706-Y708 PolarHBondContact SG-O 3.11Å; C706-Y708 VanDerWaalsContact SG-O 3.36Å
709	L	98	Very high	94.3	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.058	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.3	175	-62.9	172.2	0	0	0	109.5	Y331 Y332 K699 F700 N703 K711	Y331-L709 CarbonylContact C-O 3.59Å; Y331-L709 VanDerWaalsContact CA-O 3.25Å; Y331-L709 WeakPolarHBondContact CA-O 3.36Å; Y332-L709 HydrophobicContact CD2-CB 4.42Å; Y332-L709 PolarHBondContact N-O 3.08Å; Y332-L709 PolarHBondContact O-N 2.7Å; K699-L709 HydrophobicContact CD-CD1 4.19Å; K699-L709 HydrophobicContact CG-CD1 3.7Å; K699-L709 WeakPolarHBondContact O-CD1 3.47Å; F700-L709 HydrophobicContact CD1-CD1 3.72Å; F700-L709 HydrophobicContact CD1-CG 3.79Å; F700-L709 HydrophobicContact CE1-CB 4.4Å; F700-L709 HydrophobicContact CE1-CD1 3.84Å; F700-L709 HydrophobicContact CE1-CG 3.86Å; F700-L709 HydrophobicContact CG-CD1 4.23Å; F700-L709 HydrophobicContact CZ-CD1 4.44Å; N703-L709 HydrophobicContact CB-CD2 3.76Å; L709-K711 PolarHBondContact O-N 3.11Å
710	L	97.8	Very high	93.9	Very high	34 Å²	34	33.3 Å²	33.3	18%	0.178	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.3	178.9	-174	67	0	0	0	110.2	Q322 D323 Q326 H330 Y331	Q322-L710 HydrophobicContact CB-CB 4.24Å; D323-L710 HydrophobicContact CB-CD2 4.19Å; Q326-L710 HydrophobicContact CB-CD1 4Å; Q326-L710 HydrophobicContact CG-CD1 3.83Å; H330-L710 HydrophobicContact CB-CD1 4.2Å; Y331-L710 HydrophobicContact CD1-CB 4.15Å; Y331-L710 HydrophobicContact CD1-CD1 4.17Å; Y331-L710 HydrophobicContact CE1-CB 3.98Å; Y331-L710 HydrophobicContact CE1-CD1 3.72Å; Y331-L710 HydrophobicContact CE1-CG 4.44Å; Y331-L710 HydrophobicContact CE2-CD1 4.27Å
711	K	96.7	Very high	93.3	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-67.9	154.3	176.9	-67.7	-169.7	-75.2	179.4	0	111.5	S329 H330 Y332 N650 G678 L709 M715 R716	S329-K711 WeakPolarHBondContact O-CE 3.23Å; S329-K711 PolarHBondContact O-NZ 2.79Å; H330-K711 VanDerWaalsContact C-CE 3.46Å; H330-K711 VanDerWaalsContact O-CB 3.3Å; H330-K711 WeakPolarHBondContact O-CB 3.46Å; H330-K711 VanDerWaalsContact O-CG 3.3Å; H330-K711 WeakPolarHBondContact O-CG 3.17Å; H330-K711 PolarHBondContact O-N 2.91Å; Y332-K711 HydrophobicContact CD1-CD 4.15Å; Y332-K711 HydrophobicContact CD1-CG 4.05Å; Y332-K711 HydrophobicContact CD2-CG 3.96Å; Y332-K711 HydrophobicContact CE1-CD 3.73Å; Y332-K711 HydrophobicContact CE1-CG 3.79Å; Y332-K711 HydrophobicContact CE2-CB 4.37Å; Y332-K711 HydrophobicContact CE2-CG 3.71Å; Y332-K711 HydrophobicContact CG-CG 4.14Å; N650-K711 PolarHBondContact O-NZ 3.17Å; G678-K711 PolarHBondContact O-NZ 2.78Å; L709-K711 PolarHBondContact O-N 3.11Å; K711-M715 HydrophobicContact CB-CB 4.3Å; K711-R716 HydrophobicContact CB-CG 3.97Å; K711-R716 WeakPolarHBondContact O-CD 3.33Å; K711-R716 PolarHBondContact O-NE 2.99Å
712	P	91.9	Very high	92.9	Very high	13 Å²	13	40.4 Å²	40.4	8%	0.084	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-54.5	152.6	170.5	-26.2	35.2	0	0	0	112.8	F714 M715 D802 L803	P712-F714 HydrophobicContact CB-CD1 4.24Å; P712-F714 HydrophobicContact CB-CE1 3.41Å; P712-F714 VanDerWaalsContact CB-CE1 3.41Å; P712-F714 HydrophobicContact CB-CE2 4.04Å; P712-F714 HydrophobicContact CB-CZ 3.25Å; P712-F714 HydrophobicContact CG-CZ 3.98Å; P712-F714 PolarHBondContact O-N 3.11Å; P712-M715 HydrophobicContact CB-CG 4.45Å; P712-M715 HydrophobicContact CG-SD 4.28Å; P712-M715 WeakPolarHBondContact O-CB 3.27Å; P712-M715 PolarHBondContact O-N 2.9Å; P712-D802 HydrophobicContact CG-CB 4.3Å; P712-L803 HydrophobicContact CG-CD1 4.47Å
713	E	89	Confident	92.7	Very high	86 Å²	86	43 Å²	43	40%	0.402	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-57.7	-44.5	-169.7	-178.7	175	114.4	0	0	114.7	M715 R716 R717	E713-M715 PolarHBondContact O-N 3.25Å; E713-R716 PolarHBondContact O-N 3.39Å; E713-R717 HydrophobicContact CG-CG 3.94Å; E713-R717 VanDerWaalsContact CG-NE 3.31Å; E713-R717 PolarHBondContact O-N 3.14Å; E713-R717 IonicContact OE1-CZ 3.97Å; E713-R717 IonicContact OE1-NE 2.76Å; E713-R717 PolarHBondContact OE1-NE 2.86Å; E713-R717 VanDerWaalsContact OE1-NE 3.13Å; E713-R717 IonicContact OE1-NH1 3.97Å; E713-R717 PolarHBondContact OE1-NH1 2.99Å; E713-R717 IonicContact OE1-NH2 3.25Å; E713-R717 PolarHBondContact OE1-NH2 3.35Å; E713-R717 IonicContact OE2-CZ 3.45Å; E713-R717 IonicContact OE2-NE 2.72Å; E713-R717 IonicContact OE2-NH2 3.52Å; E713-R717 PolarHBondContact OE2-NH2 2.98Å
714	F	86	Confident	92.3	Very high	21 Å²	21	43.1 Å²	43.1	9%	0.092	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-68.3	-18.2	-179.9	51.3	-90.7	0	0	0	113.1	P712 R716 R720 F722 M730 V733 L800	P712-F714 HydrophobicContact CB-CD1 4.24Å; P712-F714 HydrophobicContact CB-CE1 3.41Å; P712-F714 VanDerWaalsContact CB-CE1 3.41Å; P712-F714 HydrophobicContact CB-CE2 4.04Å; P712-F714 HydrophobicContact CB-CZ 3.25Å; P712-F714 HydrophobicContact CG-CZ 3.98Å; P712-F714 PolarHBondContact O-N 3.11Å; F714-R716 VanDerWaalsContact C-N 3.28Å; F714-R720 HydrophobicContact CB-CB 4.32Å; F714-F722 HydrophobicContact CD2-CB 4.01Å; F714-F722 AromaticContact CD2-CD1 3.93Å; F714-F722 HydrophobicContact CD2-CD1 3.93Å; F714-F722 AromaticContact CD2-CD2 3.9Å; F714-F722 HydrophobicContact CD2-CD2 3.9Å; F714-F722 HydrophobicContact CD2-CE1 4.37Å; F714-F722 HydrophobicContact CD2-CE2 4.34Å; F714-F722 AromaticContact CD2-CG 3.65Å; F714-F722 HydrophobicContact CD2-CG 3.65Å; F714-F722 AromaticContact CE2-CD1 3.96Å; F714-F722 HydrophobicContact CE2-CD1 3.96Å; F714-F722 HydrophobicContact CE2-CD2 4.05Å; F714-F722 AromaticContact CE2-CE1 3.93Å; F714-F722 HydrophobicContact CE2-CE1 3.93Å; F714-F722 HydrophobicContact CE2-CE2 4.03Å; F714-F722 HydrophobicContact CE2-CG 4.01Å; F714-F722 AromaticContact CE2-CZ 3.95Å; F714-F722 HydrophobicContact CE2-CZ 3.95Å; F714-M730 HydrophobicContact CD2-CE 4.5Å; F714-M730 HydrophobicContact CD2-SD 4.1Å; F714-M730 HydrophobicContact CE2-CE 4.04Å; F714-M730 HydrophobicContact CE2-SD 4.23Å; F714-M730 HydrophobicContact CG-SD 4.41Å; F714-M730 HydrophobicContact CZ-CE 4.12Å; F714-V733 HydrophobicContact CD1-CG2 3.8Å; F714-V733 HydrophobicContact CE1-CG2 3.8Å; F714-L800 HydrophobicContact CE1-CD1 3.42Å; F714-L800 VanDerWaalsContact CE1-CD1 3.42Å; F714-L800 HydrophobicContact CE1-CD2 4.44Å; F714-L800 HydrophobicContact CE2-CD1 4.31Å; F714-L800 HydrophobicContact CE2-CD2 3.86Å; F714-L800 HydrophobicContact CZ-CD1 3.2Å; F714-L800 HydrophobicContact CZ-CD2 3.38Å; F714-L800 HydrophobicContact CZ-CG 3.87Å
715	M	91.7	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-86.3	1.5	172.7	-55.2	-170.7	74.8	0	0	113.2	Y332 K651 W675 N676 K711 P712 E713 F722	Y332-M715 PolarHBondContact OH-SD 3.4Å; K651-M715 WeakPolarHBondContact CG-O 3.3Å; W675-M715 WeakPolarHBondContact O-CE 3.47Å; N676-M715 WeakPolarHBondContact O-CE 3.49Å; K711-M715 HydrophobicContact CB-CB 4.3Å; P712-M715 HydrophobicContact CB-CG 4.45Å; P712-M715 HydrophobicContact CG-SD 4.28Å; P712-M715 WeakPolarHBondContact O-CB 3.27Å; P712-M715 PolarHBondContact O-N 2.9Å; E713-M715 PolarHBondContact O-N 3.25Å; M715-F722 HydrophobicContact CE-CD1 4.25Å; M715-F722 HydrophobicContact CE-CE1 4.01Å; M715-F722 HydrophobicContact CG-CD1 3.89Å; M715-F722 HydrophobicContact CG-CE1 4.1Å; M715-F722 HydrophobicContact SD-CD1 4.44Å; M715-F722 HydrophobicContact SD-CE1 4.1Å
716	R	94.4	Very high	91.6	Very high	37 Å²	37	47.2 Å²	47.2	14%	0.14	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-39.2	-178.7	-63.8	-175.4	-69.9	107	-5.9	111.9	H330 K711 E713 F714 P718	H330-R716 HydrophobicContact CB-CG 3.91Å; K711-R716 HydrophobicContact CB-CG 3.97Å; K711-R716 WeakPolarHBondContact O-CD 3.33Å; K711-R716 PolarHBondContact O-NE 2.99Å; E713-R716 PolarHBondContact O-N 3.39Å; F714-R716 VanDerWaalsContact C-N 3.28Å; R716-P718 WeakPolarHBondContact O-CD 3.48Å
717	R	92.2	Very high	90.9	Very high	97 Å²	97	53.9 Å²	53.9	37%	0.366	26%	0.258	S	S	.	.			trans	-67.8	123.3	-177.1	-76.5	-172.7	176.2	-174.4	11.8	111.9	K651 E713 E719 R720	K651-R717 VanDerWaalsContact CE-O 3.27Å; K651-R717 WeakPolarHBondContact CE-O 3.44Å; K651-R717 PolarHBondContact NZ-O 2.75Å; E713-R717 HydrophobicContact CG-CG 3.94Å; E713-R717 VanDerWaalsContact CG-NE 3.31Å; E713-R717 PolarHBondContact O-N 3.14Å; E713-R717 IonicContact OE1-CZ 3.97Å; E713-R717 IonicContact OE1-NE 2.76Å; E713-R717 PolarHBondContact OE1-NE 2.86Å; E713-R717 VanDerWaalsContact OE1-NE 3.13Å; E713-R717 IonicContact OE1-NH1 3.97Å; E713-R717 PolarHBondContact OE1-NH1 2.99Å; E713-R717 IonicContact OE1-NH2 3.25Å; E713-R717 PolarHBondContact OE1-NH2 3.35Å; E713-R717 IonicContact OE2-CZ 3.45Å; E713-R717 IonicContact OE2-NE 2.72Å; E713-R717 IonicContact OE2-NH2 3.52Å; E713-R717 PolarHBondContact OE2-NH2 2.98Å; R717-E719 VanDerWaalsContact C-N 3.28Å; R717-E719 VanDerWaalsContact CD-OE1 3.29Å; R717-E719 WeakPolarHBondContact CD-OE1 3.36Å; R717-E719 PolarHBondContact O-N 3.2Å; R717-R720 HydrophobicContact CB-CB 4.26Å; R717-R720 HydrophobicContact CB-CG 4.12Å; R717-R720 PolarHBondContact O-N 2.92Å
718	P	88.7	Confident	90.1	Very high	111 Å²	111	57.4 Å²	57.4	72%	0.721	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-39.7	-179.1	-25.7	33.9	0	0	0	113.4	R716 R720	R716-P718 WeakPolarHBondContact O-CD 3.48Å; P718-R720 PolarHBondContact O-N 3.37Å
719	E	89.2	Confident	88.9	Confident	127 Å²	127	60 Å²	60	59%	0.593	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.6	-173.2	72.8	-75.1	177.8	0	0	114.8	R717	R717-E719 VanDerWaalsContact C-N 3.28Å; R717-E719 VanDerWaalsContact CD-OE1 3.29Å; R717-E719 WeakPolarHBondContact CD-OE1 3.36Å; R717-E719 PolarHBondContact O-N 3.2Å
720	R	87.5	Confident	87.8	Confident	92 Å²	92	60.9 Å²	60.9	35%	0.347	30%	0.304	S	S	.	.			trans	-96.3	121.4	-179.2	-71.9	-68.6	-170.9	167.5	1	110.3	K651 F714 R717 P718 D731	K651-R720 PolarHBondContact NZ-O 3.29Å; F714-R720 HydrophobicContact CB-CB 4.32Å; R717-R720 HydrophobicContact CB-CB 4.26Å; R717-R720 HydrophobicContact CB-CG 4.12Å; R717-R720 PolarHBondContact O-N 2.92Å; P718-R720 PolarHBondContact O-N 3.37Å; R720-D731 IonicContact CZ-OD2 2.65Å; R720-D731 IonicContact NH1-OD2 3.08Å; R720-D731 PolarHBondContact NH1-OD2 3.19Å; R720-D731 IonicContact NH2-OD2 3.83Å
721	Q	85	Confident	86.8	Confident	158 Å²	158	65.4 Å²	65.4	74%	0.738	33%	0.328	S	S	*	.			trans	-83	146.3	167.5	-72	-171.9	-8.4	0	0	110.5
722	F	87.5	Confident	85.9	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.009	36%	0.363	C	S	.	.			trans	-140.9	124	178.5	170.9	-128	0	0	0	109.9	V647 N676 F714 M715 P724 M730 L764 L800	V647-F722 HydrophobicContact CG1-CB 4.23Å; V647-F722 HydrophobicContact CG1-CD1 3.96Å; V647-F722 HydrophobicContact CG2-CD1 4.01Å; N676-F722 WeakPolarHBondContact O-CE1 3.21Å; F714-F722 HydrophobicContact CD2-CB 4.01Å; F714-F722 AromaticContact CD2-CD1 3.93Å; F714-F722 HydrophobicContact CD2-CD1 3.93Å; F714-F722 AromaticContact CD2-CD2 3.9Å; F714-F722 HydrophobicContact CD2-CD2 3.9Å; F714-F722 HydrophobicContact CD2-CE1 4.37Å; F714-F722 HydrophobicContact CD2-CE2 4.34Å; F714-F722 AromaticContact CD2-CG 3.65Å; F714-F722 HydrophobicContact CD2-CG 3.65Å; F714-F722 AromaticContact CE2-CD1 3.96Å; F714-F722 HydrophobicContact CE2-CD1 3.96Å; F714-F722 HydrophobicContact CE2-CD2 4.05Å; F714-F722 AromaticContact CE2-CE1 3.93Å; F714-F722 HydrophobicContact CE2-CE1 3.93Å; F714-F722 HydrophobicContact CE2-CE2 4.03Å; F714-F722 HydrophobicContact CE2-CG 4.01Å; F714-F722 AromaticContact CE2-CZ 3.95Å; F714-F722 HydrophobicContact CE2-CZ 3.95Å; M715-F722 HydrophobicContact CE-CD1 4.25Å; M715-F722 HydrophobicContact CE-CE1 4.01Å; M715-F722 HydrophobicContact CG-CD1 3.89Å; M715-F722 HydrophobicContact CG-CE1 4.1Å; M715-F722 HydrophobicContact SD-CD1 4.44Å; M715-F722 HydrophobicContact SD-CE1 4.1Å; F722-P724 HydrophobicContact CE1-CB 4.08Å; F722-P724 HydrophobicContact CZ-CB 4.12Å; F722-M730 HydrophobicContact CD2-CE 3.83Å; F722-M730 HydrophobicContact CD2-CG 4.49Å; F722-M730 HydrophobicContact CD2-SD 3.09Å; F722-M730 WeakPolarHBondContact CD2-SD 3.14Å; F722-M730 HydrophobicContact CE2-CE 3.28Å; F722-M730 HydrophobicContact CE2-SD 3.25Å; F722-M730 WeakPolarHBondContact CE2-SD 3.43Å; F722-M730 HydrophobicContact CG-SD 4.22Å; F722-M730 HydrophobicContact CZ-CE 4.12Å; F722-M730 HydrophobicContact CZ-SD 4.45Å; F722-L764 HydrophobicContact CE2-CD1 4.38Å; F722-L764 HydrophobicContact CZ-CD1 4.23Å; F722-L764 HydrophobicContact CZ-CD2 3.76Å; F722-L800 HydrophobicContact CZ-CD2 4.38Å
723	D	90.1	Very high	85.5	Confident	63 Å²	63	69.3 Å²	69.3	34%	0.337	37%	0.366	S	S	.	.			trans	-101.5	113.6	169.3	-179.3	-0.6	0	0	0	109.3	I644 F725 S726	I644-D723 HydrophobicContact CD1-CB 4.2Å; I644-D723 HydrophobicContact CG1-CB 4.07Å; D723-F725 PolarHBondContact O-N 2.97Å; D723-F725 VanDerWaalsContact O-N 3.13Å; D723-F725 PolarHBondContact OD1-N 3.1Å; D723-S726 WeakPolarHBondContact O-CB 3.44Å; D723-S726 PolarHBondContact O-N 3.03Å; D723-S726 VanDerWaalsContact O-N 3.09Å
724	P	88.8	Confident	85.4	Confident	2 Å²	2	71 Å²	71	1%	0.013	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.6	179.5	27.7	-34	0	0	0	114.1	L639 A643 V647 N676 F722 P765	L639-P724 HydrophobicContact CD1-CG 4.31Å; A643-P724 HydrophobicContact CB-CG 3.86Å; V647-P724 HydrophobicContact CG2-CG 4.38Å; N676-P724 HydrophobicContact CB-CB 4.14Å; F722-P724 HydrophobicContact CE1-CB 4.08Å; F722-P724 HydrophobicContact CZ-CB 4.12Å; P724-P765 WeakPolarHBondContact O-CD 3.3Å
725	F	90.4	Very high	85.6	Confident	100 Å²	100	70.3 Å²	70.3	44%	0.439	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	3.9	175.5	-63	-84.6	0	0	0	113.5	L639 A643 D723 E727 P765	L639-F725 HydrophobicContact CD1-CE2 4.04Å; L639-F725 HydrophobicContact CD1-CZ 4.44Å; L639-F725 HydrophobicContact CD2-CZ 4.25Å; L639-F725 HydrophobicContact CG-CE2 3.97Å; L639-F725 HydrophobicContact CG-CZ 3.95Å; A643-F725 HydrophobicContact CB-CD2 4.01Å; A643-F725 HydrophobicContact CB-CE2 3.88Å; D723-F725 PolarHBondContact O-N 2.97Å; D723-F725 VanDerWaalsContact O-N 3.13Å; D723-F725 PolarHBondContact OD1-N 3.1Å; F725-E727 PolarHBondContact O-N 2.94Å; F725-P765 HydrophobicContact CD1-CB 4.36Å; F725-P765 HydrophobicContact CD1-CG 3.85Å; F725-P765 HydrophobicContact CE1-CG 3.86Å
726	S	85	Confident	85.7	Confident	32 Å²	32	70.4 Å²	70.4	22%	0.224	38%	0.376	C	S	.	.			trans	-60.4	123	176.8	177.3	0	0	0	0	111.3	D723 S728	D723-S726 WeakPolarHBondContact O-CB 3.44Å; D723-S726 PolarHBondContact O-N 3.03Å; D723-S726 VanDerWaalsContact O-N 3.09Å; S726-S728 VanDerWaalsContact C-N 3.33Å; S726-S728 PolarHBondContact OG-N 3.1Å; S726-S728 PolarHBondContact OG-O 3.21Å
727	E	83.3	Confident	85.7	Confident	142 Å²	142	70 Å²	70	66%	0.664	38%	0.377	S	S	*	.			trans	-81.2	-15.2	171.8	-64	-178.1	-173.3	0	0	112.3	F725 K797	F725-E727 PolarHBondContact O-N 2.94Å; E727-K797 VanDerWaalsContact O-CE 3.31Å; E727-K797 WeakPolarHBondContact O-CE 3.46Å; E727-K797 PolarHBondContact O-NZ 2.76Å
728	S	79.6	Confident	85.9	Confident	75 Å²	75	65.4 Å²	65.4	52%	0.524	36%	0.36	S	S	.	.	S	Bend	trans	-93.2	142.5	-177.5	-64.4	0	0	0	0	111.4	S726 M730	S726-S728 VanDerWaalsContact C-N 3.33Å; S726-S728 PolarHBondContact OG-N 3.1Å; S726-S728 PolarHBondContact OG-O 3.21Å; S728-M730 PolarHBondContact O-N 3Å
729	P	75.1	Confident	86.3	Confident	54 Å²	54	63.3 Å²	63.3	35%	0.351	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-51.2	132.8	170.1	-24.5	34.7	0	0	0	110.6	A735 Y859	P729-A735 HydrophobicContact CB-CB 4.13Å; P729-A735 HydrophobicContact CG-CB 4.06Å; P729-Y859 HydrophobicContact CG-CD1 4.33Å; P729-Y859 HydrophobicContact CG-CE1 4.26Å
730	M	75.1	Confident	86.7	Confident	30 Å²	30	57.2 Å²	57.2	15%	0.148	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-77.6	147.2	179.2	-69.7	177	-95.6	0	0	111	F714 F722 S728 G732 V733 L764 L800	F714-M730 HydrophobicContact CD2-CE 4.5Å; F714-M730 HydrophobicContact CD2-SD 4.1Å; F714-M730 HydrophobicContact CE2-CE 4.04Å; F714-M730 HydrophobicContact CE2-SD 4.23Å; F714-M730 HydrophobicContact CG-SD 4.41Å; F714-M730 HydrophobicContact CZ-CE 4.12Å; F722-M730 HydrophobicContact CD2-CE 3.83Å; F722-M730 HydrophobicContact CD2-CG 4.49Å; F722-M730 HydrophobicContact CD2-SD 3.09Å; F722-M730 WeakPolarHBondContact CD2-SD 3.14Å; F722-M730 HydrophobicContact CE2-CE 3.28Å; F722-M730 HydrophobicContact CE2-SD 3.25Å; F722-M730 WeakPolarHBondContact CE2-SD 3.43Å; F722-M730 HydrophobicContact CG-SD 4.22Å; F722-M730 HydrophobicContact CZ-CE 4.12Å; F722-M730 HydrophobicContact CZ-SD 4.45Å; S728-M730 PolarHBondContact O-N 3Å; M730-G732 PolarHBondContact O-N 3.48Å; M730-V733 HydrophobicContact CB-CB 4.19Å; M730-V733 HydrophobicContact CB-CG2 4.01Å; M730-V733 PolarHBondContact O-N 3.12Å; M730-L764 HydrophobicContact CE-CD1 4.26Å; M730-L800 HydrophobicContact CE-CB 4.12Å; M730-L800 HydrophobicContact CE-CD1 3.96Å; M730-L800 HydrophobicContact CE-CD2 4.05Å; M730-L800 HydrophobicContact CE-CG 4.25Å
731	D	75	Confident	87.2	Confident	129 Å²	129	55 Å²	55	69%	0.69	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	124	174	-179.7	47.7	0	0	0	110.9	R720	R720-D731 IonicContact CZ-OD2 2.65Å; R720-D731 IonicContact NH1-OD2 3.08Å; R720-D731 PolarHBondContact NH1-OD2 3.19Å; R720-D731 IonicContact NH2-OD2 3.83Å
732	G	78.2	Confident	87.8	Confident	72 Å²	72	47.6 Å²	47.6	74%	0.742	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-4.1	-175.7	0	0	0	0	0	115.9	M730	M730-G732 PolarHBondContact O-N 3.48Å
733	V	83.3	Confident	88.3	Confident	25 Å²	25	48.6 Å²	48.6	15%	0.152	28%	0.276	C	S	.	.			trans	-105.6	125.8	175.4	-179.7	0	0	0	0	109.8	F714 M730 A735 L800	F714-V733 HydrophobicContact CD1-CG2 3.8Å; F714-V733 HydrophobicContact CE1-CG2 3.8Å; M730-V733 HydrophobicContact CB-CB 4.19Å; M730-V733 HydrophobicContact CB-CG2 4.01Å; M730-V733 PolarHBondContact O-N 3.12Å; V733-A735 PolarHBondContact O-N 3.49Å; V733-L800 HydrophobicContact CG1-CD1 3.72Å; V733-L800 HydrophobicContact CG2-CD1 4.32Å
734	I	86.5	Confident	88.7	Confident	122 Å²	122	45.7 Å²	45.7	63%	0.626	26%	0.26	S	S	*	.			trans	-84.7	105.4	176.4	-56.6	176.8	0	0	0	108.3	T858	I734-T858 HydrophobicContact CG2-CG2 3.67Å
735	A	91.1	Very high	89	Confident	7 Å²	7	45.6 Å²	45.6	6%	0.058	26%	0.26	C	S	.	.			trans	-64.6	149.3	172.2	0	0	0	0	0	110.8	P729 V733 V798 Y859	P729-A735 HydrophobicContact CB-CB 4.13Å; P729-A735 HydrophobicContact CG-CB 4.06Å; V733-A735 PolarHBondContact O-N 3.49Å; A735-V798 CarbonylContact C-O 3.56Å; A735-V798 VanDerWaalsContact CA-O 3.27Å; A735-V798 WeakPolarHBondContact CA-O 3.44Å; A735-V798 WeakPolarHBondContact CB-O 3.31Å; A735-Y859 HydrophobicContact CB-CD1 3.97Å; A735-Y859 HydrophobicContact CB-CG 4.3Å; A735-Y859 PolarHBondContact O-N 2.87Å
736	A	92.9	Very high	89.2	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	156	-176.9	0	0	0	0	0	112.2	V798 P801 T857	A736-V798 PolarHBondContact N-O 3Å; A736-V798 WeakPolarHBondContact O-CB 3.25Å; A736-V798 PolarHBondContact O-N 3.2Å; A736-P801 HydrophobicContact CB-CB 4.38Å; A736-P801 HydrophobicContact CB-CG 3.61Å; A736-T857 CarbonylContact C-O 3.54Å; A736-T857 WeakPolarHBondContact CA-O 3.45Å
737	T	94.4	Very high	89.7	Confident	29 Å²	29	40.2 Å²	40.2	18%	0.178	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.2	161.8	-61	0	0	0	0	107.5	R796 T857	T737-R796 WeakPolarHBondContact CB-O 3.24Å; T737-R796 PolarHBondContact OG1-O 3.32Å; T737-T857 WeakPolarHBondContact CB-OG1 3.15Å; T737-T857 PolarHBondContact N-O 3.47Å; T737-T857 PolarHBondContact O-N 2.93Å
738	C	96.3	Very high	90.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.4	177.4	-176.8	0	0	0	0	109.4	M761 F795 L825 S855 L856	C738-M761 HydrophobicContact CB-CE 4.21Å; C738-F795 HydrophobicContact CB-CB 4.21Å; C738-F795 HydrophobicContact CB-CD2 4.46Å; C738-F795 PolarHBondContact N-O 3.48Å; C738-F795 WeakPolarHBondContact O-CA 3.34Å; C738-F795 WeakPolarHBondContact O-CB 3.49Å; C738-F795 WeakPolarHBondContact O-CD2 3.36Å; C738-F795 PolarHBondContact O-N 2.86Å; C738-L825 HydrophobicContact CB-CD1 4.24Å; C738-S855 CarbonylContact C-O 3.35Å; C738-S855 WeakPolarHBondContact CA-O 3.37Å; C738-L856 HydrophobicContact CB-CD2 3.93Å
739	E	97.2	Very high	90.8	Very high	67 Å²	67	30.8 Å²	30.8	31%	0.313	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138	172.8	176.6	-179.8	127.8	0	0	109.4	V792 F793 V794 V854 S855	E739-V792 HydrophobicContact CG-CG1 3.64Å; E739-V792 WeakPolarHBondContact OE1-CG1 3.48Å; E739-F793 CarbonylContact C-O 3.42Å; E739-F793 WeakPolarHBondContact CA-O 3.26Å; E739-V794 HydrophobicContact CG-CG2 4.05Å; E739-V854 CarbonylContact O-C 3.48Å; E739-V854 WeakPolarHBondContact O-CA 3.38Å; E739-S855 PolarHBondContact N-O 3.38Å; E739-S855 PolarHBondContact O-N 3.41Å
740	V	98	Very high	91.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.5	179.2	178.5	0	0	0	0	108.7	I742 V759 F793 F795 L806 F808 Q853	V740-I742 HydrophobicContact CG1-CD1 3.76Å; V740-I742 HydrophobicContact CG1-CG1 4.39Å; V740-V759 HydrophobicContact CG1-CG1 4.37Å; V740-V759 HydrophobicContact CG1-CG2 4.35Å; V740-V759 HydrophobicContact CG2-CG1 4.48Å; V740-F793 PolarHBondContact N-O 2.85Å; V740-F793 PolarHBondContact O-N 3.06Å; V740-F795 HydrophobicContact CG2-CE2 4.4Å; V740-L806 HydrophobicContact CG2-CD1 4.24Å; V740-F808 HydrophobicContact CG1-CE1 3.64Å; V740-F808 HydrophobicContact CG1-CZ 4.12Å; V740-F808 HydrophobicContact CG2-CZ 4.42Å; V740-Q853 WeakPolarHBondContact CA-O 3.49Å
741	K	98.1	Very high	91.8	Very high	46 Å²	46	38 Å²	38	20%	0.2	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.3	168.8	-179.1	176.5	-176.7	178.6	0	109.7	I743 D789 A791 V792 C852 Q853	K741-I743 HydrophobicContact CG-CG1 4.25Å; K741-D789 IonicContact NZ-OD1 3.4Å; K741-D789 PolarHBondContact NZ-OD1 3.41Å; K741-A791 CarbonylContact C-O 3.55Å; K741-A791 WeakPolarHBondContact CA-O 3.39Å; K741-V792 HydrophobicContact CB-CG2 4.03Å; K741-V792 HydrophobicContact CD-CG2 4Å; K741-V792 HydrophobicContact CG-CG2 3.81Å; K741-C852 CarbonylContact O-C 3.57Å; K741-C852 WeakPolarHBondContact O-CA 3.43Å; K741-C852 WeakPolarHBondContact O-CB 2.92Å; K741-Q853 HydrophobicContact CB-CB 4.24Å; K741-Q853 PolarHBondContact N-O 3.25Å; K741-Q853 PolarHBondContact O-N 3.32Å
742	I	98.3	Very high	92.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118	173.1	-57.8	-58	0	0	0	108.6	V740 V757 V759 T775 Y787 A791 F793 F808 C852	V740-I742 HydrophobicContact CG1-CD1 3.76Å; V740-I742 HydrophobicContact CG1-CG1 4.39Å; I742-V757 HydrophobicContact CD1-CG1 4.27Å; I742-V757 HydrophobicContact CG1-CG1 4.26Å; I742-V757 HydrophobicContact CG2-CB 4.2Å; I742-V757 HydrophobicContact CG2-CG1 4.42Å; I742-V757 HydrophobicContact CG2-CG2 4Å; I742-V759 HydrophobicContact CD1-CG2 3.84Å; I742-V759 HydrophobicContact CG1-CG2 4Å; I742-T775 HydrophobicContact CB-CG2 4.03Å; I742-T775 HydrophobicContact CG1-CG2 4.29Å; I742-T775 HydrophobicContact CG2-CG2 4.11Å; I742-Y787 HydrophobicContact CG2-CD2 3.49Å; I742-Y787 VanDerWaalsContact CG2-CD2 3.49Å; I742-Y787 HydrophobicContact CG2-CE2 4.06Å; I742-Y787 HydrophobicContact CG2-CG 3.98Å; I742-A791 HydrophobicContact CB-CB 4.3Å; I742-A791 PolarHBondContact N-O 3.14Å; I742-A791 WeakPolarHBondContact O-CB 3.33Å; I742-F793 HydrophobicContact CG1-CD2 4.27Å; I742-F793 HydrophobicContact CG1-CE2 3.82Å; I742-F808 HydrophobicContact CD1-CD1 4.04Å; I742-F808 HydrophobicContact CD1-CE1 4.02Å; I742-C852 HydrophobicContact CD1-CB 3.95Å
743	I	97.6	Very high	93	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.118	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-53	-173.7	-58.3	166.3	0	0	0	110.2	D231 K741 V786 Y787 Y832 F851 Q853	D231-I743 HydrophobicContact CB-CG2 3.8Å; K741-I743 HydrophobicContact CG-CG1 4.25Å; I743-V786 CarbonylContact O-C 3.58Å; I743-Y787 PolarHBondContact O-N 3.33Å; I743-Y832 HydrophobicContact CD1-CD1 3.57Å; I743-Y832 HydrophobicContact CD1-CE1 3.52Å; I743-F851 HydrophobicContact CB-CD1 4.04Å; I743-F851 WeakPolarHBondContact CB-O 3.38Å; I743-F851 HydrophobicContact CD1-CD1 3.92Å; I743-F851 HydrophobicContact CD1-CE1 3.85Å; I743-F851 HydrophobicContact CG2-CD1 4.05Å; I743-F851 HydrophobicContact CG2-CE1 4.49Å; I743-F851 PolarHBondContact N-O 3.29Å; I743-Q853 HydrophobicContact CD1-CB 4.24Å
744	S	97.6	Very high	93.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	171	-175.6	73.3	0	0	0	0	111.7	D231 Q746 P785 F851	D231-S744 WeakPolarHBondContact OD2-CB 3.38Å; D231-S744 PolarHBondContact OD2-OG 2.9Å; S744-Q746 PolarHBondContact OG-NE2 2.99Å; S744-P785 CarbonylContact C-O 3.53Å; S744-P785 WeakPolarHBondContact CA-O 3.38Å; S744-P785 VanDerWaalsContact CB-O 3.28Å; S744-P785 WeakPolarHBondContact CB-O 3.44Å; S744-F851 PolarHBondContact N-O 3.11Å; S744-F851 VanDerWaalsContact N-O 3.11Å; S744-F851 PolarHBondContact O-N 3.05Å; S744-F851 WeakPolarHBondContact OG-CB 3.39Å
745	G	96.6	Very high	94	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	161.9	165.6	0	0	0	0	0	111.4	N784 P785 T849	G745-N784 CarbonylContact O-C 3.57Å; G745-N784 VanDerWaalsContact O-CA 3.25Å; G745-N784 WeakPolarHBondContact O-CA 3.28Å; G745-P785 PolarHBondContact N-O 3.46Å; G745-P785 WeakPolarHBondContact O-CD 3.38Å; G745-T849 CarbonylContact C-O 3.53Å; G745-T849 VanDerWaalsContact CA-O 3.29Å; G745-T849 WeakPolarHBondContact CA-O 3.14Å
746	Q	95	Very high	94.3	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.028	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.5	179.1	-65	76.3	48	0	0	109.6	S744 L748 L783 P848 T849	S744-Q746 PolarHBondContact OG-NE2 2.99Å; Q746-L748 PolarHBondContact O-N 3.13Å; Q746-L748 VanDerWaalsContact O-N 3.12Å; Q746-L783 CarbonylContact C-O 3.54Å; Q746-L783 WeakPolarHBondContact CA-O 3.27Å; Q746-P848 WeakPolarHBondContact O-CA 3.49Å; Q746-T849 PolarHBondContact N-O 3.35Å; Q746-T849 PolarHBondContact O-N 3.12Å; Q746-T849 PolarHBondContact OE1-O 3.29Å
747	F	94.6	Very high	94.6	Very high	13 Å²	13	28.3 Å²	28.3	6%	0.057	13%	0.131	C	C	.	.	S	Bend	trans	48.5	37.5	176.1	-60.4	-79.2	0	0	0	114.6	L157 T182 F183 Y223 S749 G782 L783 L847 P848	L157-F747 HydrophobicContact CD2-CE2 4.17Å; T182-F747 HydrophobicContact CG2-CE1 4.16Å; F183-F747 AromaticContact CD1-CE1 3.8Å; F183-F747 HydrophobicContact CD1-CE1 3.8Å; F183-F747 HydrophobicContact CD1-CZ 4.26Å; F183-F747 AromaticContact CE1-CE1 3.76Å; F183-F747 HydrophobicContact CE1-CE1 3.76Å; F183-F747 AromaticContact CE1-CZ 3.79Å; F183-F747 HydrophobicContact CE1-CZ 3.79Å; Y223-F747 AromaticContact CD2-CE2 3.64Å; Y223-F747 HydrophobicContact CD2-CE2 3.64Å; Y223-F747 AromaticContact CD2-CZ 3.65Å; Y223-F747 HydrophobicContact CD2-CZ 3.65Å; Y223-F747 AromaticContact CE2-CE2 3.45Å; Y223-F747 HydrophobicContact CE2-CE2 3.45Å; Y223-F747 VanDerWaalsContact CE2-CE2 3.45Å; Y223-F747 AromaticContact CE2-CZ 3.91Å; Y223-F747 HydrophobicContact CE2-CZ 3.91Å; F747-S749 VanDerWaalsContact C-N 3.29Å; F747-S749 PolarHBondContact O-N 3.38Å; F747-G782 CarbonylContact C-O 3.58Å; F747-L783 HydrophobicContact CD1-CD1 3.37Å; F747-L783 HydrophobicContact CE1-CD1 3.48Å; F747-L783 VanDerWaalsContact CE1-CD1 3.48Å; F747-L783 HydrophobicContact CG-CD1 4.22Å; F747-L783 HydrophobicContact CZ-CD1 4.41Å; F747-L783 PolarHBondContact N-O 3Å; F747-L847 HydrophobicContact CB-CB 3.47Å; F747-L847 VanDerWaalsContact CB-CB 3.47Å; F747-L847 HydrophobicContact CB-CD1 4.34Å; F747-L847 HydrophobicContact CD1-CD1 4.01Å; F747-L847 HydrophobicContact CD2-CB 3.95Å; F747-L847 HydrophobicContact CD2-CD2 4.24Å; F747-L847 HydrophobicContact CD2-CG 4.49Å; F747-L847 HydrophobicContact CE1-CD1 4.36Å; F747-L847 HydrophobicContact CE2-CD2 4.29Å; F747-L847 HydrophobicContact CG-CB 3.78Å; F747-L847 HydrophobicContact CG-CD1 4.08Å; F747-L847 HydrophobicContact CG-CG 4.4Å; F747-P848 WeakPolarHBondContact O-CG 3.44Å
748	L	94.8	Very high	94.7	Very high	6 Å²	6	28 Å²	28	3%	0.031	13%	0.128	C	C	.	.			trans	-65.1	-33.9	-176.4	-56.8	-179.7	0	0	0	112	Q746 T755 G782 P785 Y787 V810 I818 L837 L850	Q746-L748 PolarHBondContact O-N 3.13Å; Q746-L748 VanDerWaalsContact O-N 3.12Å; L748-T755 HydrophobicContact CB-CG2 4.3Å; L748-T755 HydrophobicContact CD1-CG2 4.22Å; L748-G782 PolarHBondContact N-O 3.08Å; L748-P785 HydrophobicContact CD1-CG 3.52Å; L748-P785 HydrophobicContact CG-CG 4.4Å; L748-Y787 WeakPolarHBondContact CD1-OH 3.28Å; L748-V810 HydrophobicContact CD1-CG1 3.83Å; L748-V810 HydrophobicContact CD2-CG1 4.27Å; L748-V810 HydrophobicContact CD2-CG2 4.5Å; L748-V810 HydrophobicContact CG-CG1 4.44Å; L748-I818 HydrophobicContact CB-CD1 4.38Å; L748-I818 WeakPolarHBondContact O-CG2 3.05Å; L748-L837 HydrophobicContact CD2-CD1 3.88Å; L748-L850 HydrophobicContact CD2-CD2 4.33Å
749	S	90.6	Very high	94.8	Very high	14 Å²	14	28 Å²	28	10%	0.098	13%	0.128	C	C	.	.			trans	-138.8	157.1	177.1	-171.7	0	0	0	0	110.7	S185 F747 R751 V753 G782	S185-S749 WeakPolarHBondContact CB-O 3.34Å; S185-S749 PolarHBondContact OG-O 3.03Å; F747-S749 VanDerWaalsContact C-N 3.29Å; F747-S749 PolarHBondContact O-N 3.38Å; S749-R751 VanDerWaalsContact C-N 3.32Å; S749-R751 PolarHBondContact OG-N 3.44Å; S749-R751 VanDerWaalsContact OG-N 3.12Å; S749-V753 WeakPolarHBondContact OG-CG2 3.3Å; S749-G782 PolarHBondContact N-O 3.26Å
750	D	85.1	Confident	94.8	Very high	85 Å²	85	25 Å²	25	46%	0.455	11%	0.114	S	C	.	.	S	Bend	trans	-87	-5.7	166.7	66.8	-22	0	0	0	112.3	S185	S185-D750 PolarHBondContact N-O 3.04Å
751	R	86.6	Confident	94.8	Very high	149 Å²	149	25 Å²	25	56%	0.562	11%	0.114	S	C	*	.	S	Bend	trans	-109.6	158	178.7	-60.4	170.1	-159.6	-161.4	1	111.8	S185 S749 V753	S185-R751 WeakPolarHBondContact CB-O 3.27Å; S749-R751 VanDerWaalsContact C-N 3.32Å; S749-R751 PolarHBondContact OG-N 3.44Å; S749-R751 VanDerWaalsContact OG-N 3.12Å; R751-V753 VanDerWaalsContact C-N 3.27Å; R751-V753 HydrophobicContact CB-CG1 3.89Å; R751-V753 PolarHBondContact O-N 3.04Å
752	K	87	Confident	94.7	Very high	115 Å²	115	23 Å²	23	50%	0.5	11%	0.105	S	C	.	.	S	Bend	trans	-78.9	76.4	169.9	-75.3	177.9	-178.2	-178.5	0	110.1	S185 R187	S185-K752 WeakPolarHBondContact O-CG 3.42Å; R187-K752 PolarHBondContact O-NZ 3.31Å
753	V	91.3	Very high	94.5	Very high	22 Å²	22	23 Å²	23	13%	0.133	11%	0.105	C	C	.	.			trans	-115.1	158.1	179	-66.3	0	0	0	0	110.8	S749 R751 T755 N781 E812	S749-V753 WeakPolarHBondContact OG-CG2 3.3Å; R751-V753 VanDerWaalsContact C-N 3.27Å; R751-V753 HydrophobicContact CB-CG1 3.89Å; R751-V753 PolarHBondContact O-N 3.04Å; V753-T755 HydrophobicContact CG2-CG2 4.44Å; V753-N781 PolarHBondContact O-N 3.12Å; V753-E812 HydrophobicContact CG2-CG 4.15Å
754	G	94.3	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.099	C	C	.	.			trans	-75.4	145.4	167	0	0	0	0	0	111.1	V778 E812 D813	G754-V778 WeakPolarHBondContact CA-O 3.39Å; G754-E812 CarbonylContact O-C 3.6Å; G754-E812 WeakPolarHBondContact O-CA 3.23Å; G754-D813 PolarHBondContact O-N 2.93Å
755	T	96.9	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150	176.9	64.5	0	0	0	0	112.1	L748 V753 V777 V778 Y787 Y811 I818	L748-T755 HydrophobicContact CB-CG2 4.3Å; L748-T755 HydrophobicContact CD1-CG2 4.22Å; V753-T755 HydrophobicContact CG2-CG2 4.44Å; T755-V777 WeakPolarHBondContact O-CA 3.48Å; T755-V778 PolarHBondContact N-O 2.88Å; T755-V778 VanDerWaalsContact N-O 3.08Å; T755-V778 PolarHBondContact O-N 3.26Å; T755-Y787 PolarHBondContact OG1-OH 3.24Å; T755-Y811 CarbonylContact C-O 3.49Å; T755-Y811 VanDerWaalsContact CA-O 3.27Å; T755-Y811 WeakPolarHBondContact CA-O 3.42Å; T755-I818 HydrophobicContact CG2-CD1 3.74Å
756	Y	97.3	Very high	93.9	Very high	17 Å²	17	27.2 Å²	27.2	7%	0.067	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.8	169.1	66.8	-89	0	0	0	110.8	E758 R774 V777 V810 Y811 E812	Y756-E758 HydrophobicContact CD2-CG 4.1Å; Y756-E758 HydrophobicContact CE2-CG 3.82Å; Y756-R774 VanDerWaalsContact CD1-NH2 3.31Å; Y756-R774 HydrophobicContact CD2-CG 3.7Å; Y756-R774 HydrophobicContact CE2-CG 4.14Å; Y756-V777 HydrophobicContact CD1-CG2 3.88Å; Y756-V777 HydrophobicContact CG-CG2 4.3Å; Y756-V810 WeakPolarHBondContact O-CA 3.38Å; Y756-Y811 HydrophobicContact CD2-CD2 4.32Å; Y756-Y811 VanDerWaalsContact CE1-CB 3.47Å; Y756-Y811 HydrophobicContact CE1-CG 4.45Å; Y756-Y811 AromaticContact CE2-CD2 3.67Å; Y756-Y811 HydrophobicContact CE2-CD2 3.67Å; Y756-Y811 AromaticContact CE2-CG 3.89Å; Y756-Y811 HydrophobicContact CE2-CG 3.89Å; Y756-Y811 AromaticContact CZ-CG 3.76Å; Y756-Y811 PolarHBondContact N-O 3.37Å; Y756-Y811 PolarHBondContact O-N 3.22Å; Y756-Y811 WeakPolarHBondContact OH-CB 3.36Å; Y756-E812 WeakPolarHBondContact CE1-O 3.39Å
757	V	98.3	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.5	-179.2	-172	0	0	0	0	109.5	I742 V759 R774 T775 Y787 A809 V810 L850	I742-V757 HydrophobicContact CD1-CG1 4.27Å; I742-V757 HydrophobicContact CG1-CG1 4.26Å; I742-V757 HydrophobicContact CG2-CB 4.2Å; I742-V757 HydrophobicContact CG2-CG1 4.42Å; I742-V757 HydrophobicContact CG2-CG2 4Å; V757-V759 HydrophobicContact CG1-CG2 4.32Å; V757-R774 CarbonylContact O-C 3.56Å; V757-R774 WeakPolarHBondContact O-CA 3.28Å; V757-T775 HydrophobicContact CB-CG2 3.91Å; V757-T775 PolarHBondContact N-OG1 2.97Å; V757-T775 PolarHBondContact O-N 3.43Å; V757-Y787 HydrophobicContact CG2-CD2 4.42Å; V757-Y787 HydrophobicContact CG2-CE1 4.07Å; V757-Y787 HydrophobicContact CG2-CE2 3.75Å; V757-A809 CarbonylContact C-O 3.55Å; V757-A809 WeakPolarHBondContact CA-O 3.4Å; V757-V810 HydrophobicContact CG2-CG2 4.17Å; V757-L850 HydrophobicContact CG1-CD1 3.85Å; V757-L850 HydrophobicContact CG2-CD1 4.46Å; V757-L850 HydrophobicContact CG2-CD2 3.85Å
758	E	97.6	Very high	93.8	Very high	22 Å²	22	28.9 Å²	28.9	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.9	167.3	-62.5	-172.4	159.8	0	0	109.2	Y756 F773 R774 A809 Y811	Y756-E758 HydrophobicContact CD2-CG 4.1Å; Y756-E758 HydrophobicContact CE2-CG 3.82Å; E758-F773 WeakPolarHBondContact CA-O 3.26Å; E758-R774 HydrophobicContact CG-CB 4.2Å; E758-R774 HydrophobicContact CG-CG 4.09Å; E758-A809 PolarHBondContact N-O 3.17Å; E758-A809 PolarHBondContact O-N 3.49Å; E758-Y811 HydrophobicContact CB-CE2 4.14Å; E758-Y811 HydrophobicContact CG-CD2 4.04Å; E758-Y811 HydrophobicContact CG-CE2 3.93Å; E758-Y811 VanDerWaalsContact OE2-CE2 3.3Å; E758-Y811 WeakPolarHBondContact OE2-CE2 3.49Å
759	V	98	Very high	93.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	106.2	174.5	-174.4	0	0	0	0	108.5	V740 I742 V757 F773 F793 F795 L806 R807 F808	V740-V759 HydrophobicContact CG1-CG1 4.37Å; V740-V759 HydrophobicContact CG1-CG2 4.35Å; V740-V759 HydrophobicContact CG2-CG1 4.48Å; I742-V759 HydrophobicContact CD1-CG2 3.84Å; I742-V759 HydrophobicContact CG1-CG2 4Å; V757-V759 HydrophobicContact CG1-CG2 4.32Å; V759-F773 PolarHBondContact N-O 3.26Å; V759-F773 WeakPolarHBondContact O-CB 3.14Å; V759-F793 HydrophobicContact CB-CD2 3.79Å; V759-F793 HydrophobicContact CB-CE2 4.21Å; V759-F793 HydrophobicContact CG2-CD2 3.68Å; V759-F793 HydrophobicContact CG2-CE2 3.78Å; V759-F795 HydrophobicContact CG1-CE2 4.19Å; V759-F795 HydrophobicContact CG1-CZ 4.09Å; V759-L806 HydrophobicContact CG1-CD2 4.03Å; V759-R807 WeakPolarHBondContact CA-O 3.34Å; V759-F808 HydrophobicContact CG1-CD1 4.42Å; V759-F808 HydrophobicContact CG1-CE1 4.26Å; V759-F808 HydrophobicContact CG1-CZ 4.47Å; V759-F808 HydrophobicContact CG2-CD1 3.91Å; V759-F808 HydrophobicContact CG2-CE1 4.19Å
760	D	97.2	Very high	93.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153.5	177.5	-60.4	-44.2	0	0	0	110.4	Y762 I769 R770 K771 L806 R807	D760-Y762 HydrophobicContact CB-CD2 4.22Å; D760-Y762 HydrophobicContact CB-CE2 3.42Å; D760-Y762 VanDerWaalsContact CB-CE2 3.42Å; D760-Y762 PolarHBondContact OD2-OH 2.92Å; D760-Y762 VanDerWaalsContact OD2-OH 3.05Å; D760-I769 WeakPolarHBondContact CA-O 3.41Å; D760-R770 VanDerWaalsContact OD1-CA 3.32Å; D760-R770 WeakPolarHBondContact OD1-CA 3.33Å; D760-K771 PolarHBondContact OD1-N 2.97Å; D760-L806 CarbonylContact O-C 3.47Å; D760-L806 WeakPolarHBondContact O-CA 3.32Å; D760-R807 HydrophobicContact CB-CB 4.42Å; D760-R807 PolarHBondContact N-O 2.65Å; D760-R807 PolarHBondContact O-N 3.28Å; D760-R807 IonicContact OD2-NH1 3.32Å; D760-R807 PolarHBondContact OD2-NH1 3.15Å
761	M	97.5	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.9	166.1	-176.2	171.3	-70.1	0	0	109.7	C738 D767 T768 I769 F795 V798 A804 V805 L806 L825	C738-M761 HydrophobicContact CB-CE 4.21Å; M761-D767 WeakPolarHBondContact CG-O 3.1Å; M761-T768 CarbonylContact O-C 3.55Å; M761-T768 VanDerWaalsContact O-CA 3.27Å; M761-T768 WeakPolarHBondContact O-CA 3.37Å; M761-I769 PolarHBondContact N-O 3.46Å; M761-I769 PolarHBondContact O-N 2.91Å; M761-F795 HydrophobicContact CB-CD1 3.58Å; M761-F795 HydrophobicContact CB-CE1 3.33Å; M761-F795 HydrophobicContact CB-CZ 4.13Å; M761-F795 HydrophobicContact CE-CB 3.84Å; M761-F795 HydrophobicContact CE-CD1 3.76Å; M761-F795 HydrophobicContact CE-CD2 4.01Å; M761-F795 HydrophobicContact CE-CE1 4.33Å; M761-F795 HydrophobicContact CE-CG 3.59Å; M761-F795 HydrophobicContact CG-CD1 4.36Å; M761-F795 HydrophobicContact SD-CB 4.29Å; M761-F795 HydrophobicContact SD-CD1 3.93Å; M761-F795 HydrophobicContact SD-CG 4.23Å; M761-V798 HydrophobicContact CE-CG2 3.91Å; M761-V798 HydrophobicContact SD-CB 4.44Å; M761-V798 HydrophobicContact SD-CG1 4Å; M761-V798 HydrophobicContact SD-CG2 3.56Å; M761-V798 VanDerWaalsContact SD-CG2 3.56Å; M761-A804 HydrophobicContact CG-CB 4.44Å; M761-A804 HydrophobicContact SD-CB 4.36Å; M761-V805 WeakPolarHBondContact CA-O 3.42Å; M761-L806 HydrophobicContact CB-CD2 4.18Å; M761-L806 HydrophobicContact CE-CD2 3.61Å; M761-L806 HydrophobicContact CE-CG 3.97Å; M761-L825 HydrophobicContact CE-CD2 4.35Å
762	Y	97	Very high	94.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.4	175	-61.3	-91.7	0	0	0	109.1	M670 L691 L695 D760 T768 R770 A804 V805 R807	M670-Y762 HydrophobicContact CE-CD1 4.15Å; M670-Y762 HydrophobicContact CE-CE1 3.7Å; M670-Y762 HydrophobicContact SD-CD1 4.01Å; M670-Y762 HydrophobicContact SD-CE1 4.19Å; L691-Y762 HydrophobicContact CD1-CE2 4.43Å; L691-Y762 HydrophobicContact CD2-CE1 4.44Å; L691-Y762 WeakPolarHBondContact CD2-OH 3.05Å; L695-Y762 HydrophobicContact CD1-CD1 3.79Å; L695-Y762 HydrophobicContact CD1-CD2 3.87Å; L695-Y762 HydrophobicContact CD1-CE1 4.02Å; L695-Y762 HydrophobicContact CD1-CE2 4.1Å; L695-Y762 HydrophobicContact CD1-CG 3.73Å; L695-Y762 HydrophobicContact CD2-CD2 3.58Å; L695-Y762 HydrophobicContact CD2-CE2 4.01Å; L695-Y762 HydrophobicContact CD2-CG 4.1Å; L695-Y762 HydrophobicContact CG-CD2 4.36Å; D760-Y762 HydrophobicContact CB-CD2 4.22Å; D760-Y762 HydrophobicContact CB-CE2 3.42Å; D760-Y762 VanDerWaalsContact CB-CE2 3.42Å; D760-Y762 PolarHBondContact OD2-OH 2.92Å; D760-Y762 VanDerWaalsContact OD2-OH 3.05Å; Y762-T768 HydrophobicContact CD1-CG2 4.14Å; Y762-R770 WeakPolarHBondContact OH-CD 3.26Å; Y762-R770 WeakPolarHBondContact OH-CG 3.37Å; Y762-A804 CarbonylContact O-C 3.58Å; Y762-A804 VanDerWaalsContact O-CA 3.27Å; Y762-A804 WeakPolarHBondContact O-CA 3.37Å; Y762-V805 PolarHBondContact N-O 2.85Å; Y762-V805 PolarHBondContact O-N 3.16Å; Y762-R807 HydrophobicContact CD2-CB 4.4Å; Y762-R807 HydrophobicContact CE2-CB 4.06Å
763	G	94.6	Very high	94.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-173.2	-133.3	-178.7	0	0	0	0	0	109.9	Q672 N676 T768	Q672-G763 WeakPolarHBondContact CG-O 3.36Å; N676-G763 PolarHBondContact ND2-O 3.01Å; N676-G763 PolarHBondContact OD1-O 2.74Å; G763-T768 PolarHBondContact N-OG1 2.63Å; G763-T768 VanDerWaalsContact N-OG1 3.11Å; G763-T768 PolarHBondContact O-OG1 3.2Å
764	L	93.1	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-59.3	158	165.9	-61.3	-176.7	0	0	0	110.9	N676 F722 M730 T766 D767 T768 V799 L800 L803	N676-L764 HydrophobicContact CB-CD2 4.1Å; F722-L764 HydrophobicContact CE2-CD1 4.38Å; F722-L764 HydrophobicContact CZ-CD1 4.23Å; F722-L764 HydrophobicContact CZ-CD2 3.76Å; M730-L764 HydrophobicContact CE-CD1 4.26Å; L764-T766 HydrophobicContact CB-CG2 4.12Å; L764-T766 PolarHBondContact O-N 2.8Å; L764-D767 HydrophobicContact CB-CB 4.38Å; L764-D767 PolarHBondContact O-N 3.08Å; L764-T768 WeakPolarHBondContact O-CB 3.34Å; L764-T768 PolarHBondContact O-N 3.24Å; L764-T768 PolarHBondContact O-OG1 2.97Å; L764-V799 HydrophobicContact CD1-CG1 4.17Å; L764-L800 HydrophobicContact CD1-CB 3.57Å; L764-L800 HydrophobicContact CD1-CD2 3.95Å; L764-L800 HydrophobicContact CD1-CG 4.45Å; L764-L800 HydrophobicContact CD2-CD2 4.12Å; L764-L800 HydrophobicContact CG-CB 4.02Å; L764-L800 HydrophobicContact CG-CD2 4.06Å; L764-L803 HydrophobicContact CD2-CD2 3.8Å
765	P	92.7	Very high	94.8	Very high	63 Å²	63	40.1 Å²	40.1	41%	0.409	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.3	176.4	-26.4	36.8	0	0	0	112.6	P724 F725 D767 T768	P724-P765 WeakPolarHBondContact O-CD 3.3Å; F725-P765 HydrophobicContact CD1-CB 4.36Å; F725-P765 HydrophobicContact CD1-CG 3.85Å; F725-P765 HydrophobicContact CE1-CG 3.86Å; P765-D767 VanDerWaalsContact C-N 3.32Å; P765-D767 PolarHBondContact O-N 3.33Å; P765-T768 PolarHBondContact O-N 2.83Å
766	T	91.4	Very high	94.8	Very high	52 Å²	52	49 Å²	49	32%	0.319	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.8	176.3	-171.7	0	0	0	0	114.3	L764 V799	L764-T766 HydrophobicContact CB-CG2 4.12Å; L764-T766 PolarHBondContact O-N 2.8Å; T766-V799 HydrophobicContact CG2-CB 3.94Å; T766-V799 HydrophobicContact CG2-CG2 3.6Å
767	D	93.8	Very high	94.7	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-15.2	-180	-63.9	-19.4	0	0	0	111.8	M761 L764 P765 I769 V798 V799 L800	M761-D767 WeakPolarHBondContact CG-O 3.1Å; L764-D767 HydrophobicContact CB-CB 4.38Å; L764-D767 PolarHBondContact O-N 3.08Å; P765-D767 VanDerWaalsContact C-N 3.32Å; P765-D767 PolarHBondContact O-N 3.33Å; D767-I769 PolarHBondContact O-N 2.8Å; D767-V798 HydrophobicContact CB-CG1 4.27Å; D767-V798 WeakPolarHBondContact OD1-CA 3.5Å; D767-V799 WeakPolarHBondContact OD1-CB 3.4Å; D767-V799 PolarHBondContact OD1-N 3.42Å; D767-V799 PolarHBondContact OD2-N 3.35Å; D767-L800 PolarHBondContact OD2-N 3.05Å
768	T	95.3	Very high	94.6	Very high	51 Å²	51	52.2 Å²	52.2	31%	0.313	24%	0.242	S	C	.	.			trans	-82.9	115.9	-172.3	-61.5	0	0	0	0	110.7	M761 Y762 G763 L764 P765	M761-T768 CarbonylContact O-C 3.55Å; M761-T768 VanDerWaalsContact O-CA 3.27Å; M761-T768 WeakPolarHBondContact O-CA 3.37Å; Y762-T768 HydrophobicContact CD1-CG2 4.14Å; G763-T768 PolarHBondContact N-OG1 2.63Å; G763-T768 VanDerWaalsContact N-OG1 3.11Å; G763-T768 PolarHBondContact O-OG1 3.2Å; L764-T768 WeakPolarHBondContact O-CB 3.34Å; L764-T768 PolarHBondContact O-N 3.24Å; L764-T768 PolarHBondContact O-OG1 2.97Å; P765-T768 PolarHBondContact O-N 2.83Å
769	I	93.8	Very high	94.3	Very high	43 Å²	43	55.4 Å²	55.4	22%	0.221	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-124.6	123	174.6	-58	-178	0	0	0	107.9	D760 M761 D767 E772 F773 F795	D760-I769 WeakPolarHBondContact CA-O 3.41Å; M761-I769 PolarHBondContact N-O 3.46Å; M761-I769 PolarHBondContact O-N 2.91Å; D767-I769 PolarHBondContact O-N 2.8Å; I769-E772 HydrophobicContact CG2-CB 3.86Å; I769-E772 WeakPolarHBondContact CG2-OE2 3.41Å; I769-F773 HydrophobicContact CD1-CE2 4.1Å; I769-F773 HydrophobicContact CG2-CD2 4.02Å; I769-F773 HydrophobicContact CG2-CE2 3.82Å; I769-F773 HydrophobicContact CG2-CZ 4.48Å; I769-F795 HydrophobicContact CB-CD1 4.29Å; I769-F795 HydrophobicContact CB-CE1 4.03Å; I769-F795 HydrophobicContact CD1-CD1 3.86Å; I769-F795 HydrophobicContact CD1-CE1 4.38Å; I769-F795 HydrophobicContact CG1-CD1 4.36Å; I769-F795 HydrophobicContact CG2-CE1 4.5Å
770	R	91.2	Very high	93.9	Very high	135 Å²	135	61 Å²	61	51%	0.509	30%	0.295	S	S	.	.			trans	-135.5	138.1	-173.7	-179.2	177.8	69.9	-177.4	-2.4	111.9	D760 Y762 E772	D760-R770 VanDerWaalsContact OD1-CA 3.32Å; D760-R770 WeakPolarHBondContact OD1-CA 3.33Å; Y762-R770 WeakPolarHBondContact OH-CD 3.26Å; Y762-R770 WeakPolarHBondContact OH-CG 3.37Å; R770-E772 PolarHBondContact O-N 3.47Å; R770-E772 VanDerWaalsContact O-N 3.13Å
771	K	86.3	Confident	93.5	Very high	159 Å²	159	62.8 Å²	62.8	69%	0.691	30%	0.304	S	S	*	.	S	Bend	trans	60	13.2	177.1	-70	176	179.1	-169.1	0	115.1	D760	D760-K771 PolarHBondContact OD1-N 2.97Å
772	E	90.6	Very high	93.2	Very high	136 Å²	136	62.8 Å²	62.8	64%	0.636	30%	0.304	S	S	*	.	S	Bend	trans	-91.7	-46.5	176.6	-173.9	173.7	165.9	0	0	110.8	I769 R770 R774	I769-E772 HydrophobicContact CG2-CB 3.86Å; I769-E772 WeakPolarHBondContact CG2-OE2 3.41Å; R770-E772 PolarHBondContact O-N 3.47Å; R770-E772 VanDerWaalsContact O-N 3.13Å; E772-R774 PolarHBondContact O-N 2.82Å
773	F	94.9	Very high	93	Very high	29 Å²	29	62.6 Å²	62.6	13%	0.127	30%	0.303	C	S	.	.			trans	-92.5	98.3	-175.3	-65.4	-41	0	0	0	111.7	E758 V759 I769 F793 V794 F795	E758-F773 WeakPolarHBondContact CA-O 3.26Å; V759-F773 PolarHBondContact N-O 3.26Å; V759-F773 WeakPolarHBondContact O-CB 3.14Å; I769-F773 HydrophobicContact CD1-CE2 4.1Å; I769-F773 HydrophobicContact CG2-CD2 4.02Å; I769-F773 HydrophobicContact CG2-CE2 3.82Å; I769-F773 HydrophobicContact CG2-CZ 4.48Å; F773-F793 HydrophobicContact CB-CB 3.89Å; F773-F793 HydrophobicContact CB-CD1 3.57Å; F773-F793 HydrophobicContact CB-CD2 3.91Å; F773-F793 HydrophobicContact CB-CE1 4.02Å; F773-F793 HydrophobicContact CB-CE2 4.31Å; F773-F793 HydrophobicContact CB-CG 3.51Å; F773-F793 HydrophobicContact CB-CZ 4.37Å; F773-F793 HydrophobicContact CD1-CB 3.9Å; F773-F793 AromaticContact CD1-CD1 3.64Å; F773-F793 HydrophobicContact CD1-CD1 3.64Å; F773-F793 HydrophobicContact CD1-CG 4.02Å; F773-F793 HydrophobicContact CD2-CB 3.91Å; F773-F793 HydrophobicContact CD2-CG 4.48Å; F773-F793 HydrophobicContact CE1-CB 4.43Å; F773-F793 HydrophobicContact CE2-CB 4.41Å; F773-F793 HydrophobicContact CG-CB 3.62Å; F773-F793 AromaticContact CG-CD1 3.8Å; F773-F793 HydrophobicContact CG-CD1 3.8Å; F773-F793 AromaticContact CG-CG 3.77Å; F773-F793 HydrophobicContact CG-CG 3.77Å; F773-V794 WeakPolarHBondContact CZ-O 3.25Å; F773-F795 HydrophobicContact CD2-CD1 4.39Å; F773-F795 AromaticContact CD2-CE1 3.63Å; F773-F795 HydrophobicContact CD2-CE1 3.63Å; F773-F795 HydrophobicContact CD2-CE2 4.07Å; F773-F795 AromaticContact CD2-CZ 3.44Å; F773-F795 HydrophobicContact CD2-CZ 3.44Å; F773-F795 VanDerWaalsContact CD2-CZ 3.44Å; F773-F795 AromaticContact CE2-CD1 3.87Å; F773-F795 HydrophobicContact CE2-CD1 3.87Å; F773-F795 HydrophobicContact CE2-CD2 4.42Å; F773-F795 AromaticContact CE2-CE1 3.56Å; F773-F795 HydrophobicContact CE2-CE1 3.56Å; F773-F795 HydrophobicContact CE2-CE2 4.16Å; F773-F795 HydrophobicContact CE2-CG 4.28Å; F773-F795 AromaticContact CE2-CZ 3.72Å; F773-F795 HydrophobicContact CE2-CZ 3.72Å
774	R	95.9	Very high	92.9	Very high	117 Å²	117	64 Å²	64	44%	0.442	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-133.8	134.6	-179.6	176.3	179.7	170.3	-172.5	5	110.6	Y756 V757 E758 E772	Y756-R774 VanDerWaalsContact CD1-NH2 3.31Å; Y756-R774 HydrophobicContact CD2-CG 3.7Å; Y756-R774 HydrophobicContact CE2-CG 4.14Å; V757-R774 CarbonylContact O-C 3.56Å; V757-R774 WeakPolarHBondContact O-CA 3.28Å; E758-R774 HydrophobicContact CG-CB 4.2Å; E758-R774 HydrophobicContact CG-CG 4.09Å; E772-R774 PolarHBondContact O-N 2.82Å
775	T	97.5	Very high	93	Very high	7 Å²	7	64 Å²	64	4%	0.043	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-74.1	160.4	174.5	72.1	0	0	0	0	111.1	I742 V757 Y787 A791 F793	I742-T775 HydrophobicContact CB-CG2 4.03Å; I742-T775 HydrophobicContact CG1-CG2 4.29Å; I742-T775 HydrophobicContact CG2-CG2 4.11Å; V757-T775 HydrophobicContact CB-CG2 3.91Å; V757-T775 PolarHBondContact N-OG1 2.97Å; V757-T775 PolarHBondContact O-N 3.43Å; T775-Y787 HydrophobicContact CG2-CD1 4.32Å; T775-Y787 HydrophobicContact CG2-CG 4.42Å; T775-A791 HydrophobicContact CG2-CB 3.91Å; T775-F793 HydrophobicContact CG2-CE2 4.07Å; T775-F793 HydrophobicContact CG2-CZ 3.73Å
776	R	95.9	Very high	93.1	Very high	186 Å²	186	64.4 Å²	64.4	70%	0.702	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-61.5	152.5	163.5	-58.2	-175	-165.7	-151.1	2.2	110.2	D790	R776-D790 IonicContact CZ-OD2 3.81Å; R776-D790 IonicContact NE-OD1 2.75Å; R776-D790 IonicContact NE-OD2 3.91Å; R776-D790 PolarHBondContact NE-OD2 3.32Å; R776-D790 IonicContact NH2-OD2 2.69Å; R776-D790 PolarHBondContact NH2-OD2 3.17Å
777	V	96.4	Very high	93.3	Very high	57 Å²	57	62.3 Å²	62.3	35%	0.345	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-73.2	126.9	173	-178.6	0	0	0	0	109	T755 Y756 P779 D813	T755-V777 WeakPolarHBondContact O-CA 3.48Å; Y756-V777 HydrophobicContact CD1-CG2 3.88Å; Y756-V777 HydrophobicContact CG-CG2 4.3Å; V777-P779 WeakPolarHBondContact O-CD 3.33Å; V777-D813 HydrophobicContact CG1-CB 3.97Å
778	V	95.2	Very high	93	Very high	29 Å²	29	64 Å²	64	18%	0.176	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-92.3	106.7	168.5	-178.2	0	0	0	0	107.6	G754 T755 N781 P785 V786 Y787	G754-V778 WeakPolarHBondContact CA-O 3.39Å; T755-V778 PolarHBondContact N-O 2.88Å; T755-V778 VanDerWaalsContact N-O 3.08Å; T755-V778 PolarHBondContact O-N 3.26Å; V778-N781 HydrophobicContact CG1-CB 4.2Å; V778-P785 HydrophobicContact CB-CB 3.85Å; V778-P785 HydrophobicContact CG1-CB 3.77Å; V778-P785 HydrophobicContact CG2-CB 4.16Å; V778-V786 WeakPolarHBondContact CG2-O 3.32Å; V778-Y787 HydrophobicContact CB-CE1 4.49Å; V778-Y787 HydrophobicContact CG2-CD1 3.62Å; V778-Y787 HydrophobicContact CG2-CE1 3.78Å; V778-Y787 HydrophobicContact CG2-CG 4.46Å
779	P	92.7	Very high	92.7	Very high	88 Å²	88	67.9 Å²	67.9	57%	0.571	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	146.1	-171.3	30.6	-35.3	0	0	0	112.3	V777 N781	V777-P779 WeakPolarHBondContact O-CD 3.33Å; P779-N781 PolarHBondContact O-N 2.97Å; P779-N781 VanDerWaalsContact O-N 3.08Å
780	N	89	Confident	92.6	Very high	119 Å²	119	69.9 Å²	69.9	64%	0.636	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	26	170.6	-56.4	-50.2	0	0	0	115.5
781	N	89.5	Confident	92.8	Very high	40 Å²	40	63.6 Å²	63.6	21%	0.214	32%	0.324	C	S	.	.			trans	-137.4	89.9	176.8	-172.5	2.8	0	0	0	110.2	V753 V778 P779 L783 N784 P785	V753-N781 PolarHBondContact O-N 3.12Å; V778-N781 HydrophobicContact CG1-CB 4.2Å; P779-N781 PolarHBondContact O-N 2.97Å; P779-N781 VanDerWaalsContact O-N 3.08Å; N781-L783 PolarHBondContact OD1-N 3.41Å; N781-N784 PolarHBondContact ND2-O 2.93Å; N781-N784 VanDerWaalsContact ND2-O 3.08Å; N781-N784 PolarHBondContact OD1-N 3.09Å; N781-N784 PolarHBondContact OD1-OD1 2.7Å; N781-P785 WeakPolarHBondContact ND2-CA 3.45Å; N781-P785 WeakPolarHBondContact O-CB 3.23Å; N781-P785 WeakPolarHBondContact O-CD 3.19Å; N781-P785 WeakPolarHBondContact O-CG 3.38Å
782	G	90.3	Very high	93.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-91.1	-5.5	172.3	0	0	0	0	0	113.9	F747 L748 S749	F747-G782 CarbonylContact C-O 3.58Å; L748-G782 PolarHBondContact N-O 3.08Å; S749-G782 PolarHBondContact N-O 3.26Å
783	L	92	Very high	93.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-90.9	-51.1	-174.7	-177.7	66.1	0	0	0	112.2	F183 I226 C227 Q746 F747 N781	F183-L783 HydrophobicContact CD1-CD1 4.44Å; I226-L783 HydrophobicContact CG2-CD2 4.07Å; C227-L783 HydrophobicContact CB-CD2 4.37Å; Q746-L783 CarbonylContact C-O 3.54Å; Q746-L783 WeakPolarHBondContact CA-O 3.27Å; F747-L783 HydrophobicContact CD1-CD1 3.37Å; F747-L783 HydrophobicContact CE1-CD1 3.48Å; F747-L783 VanDerWaalsContact CE1-CD1 3.48Å; F747-L783 HydrophobicContact CG-CD1 4.22Å; F747-L783 HydrophobicContact CZ-CD1 4.41Å; F747-L783 PolarHBondContact N-O 3Å; N781-L783 PolarHBondContact OD1-N 3.41Å
784	N	93.3	Very high	93.7	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.16	29%	0.286	C	S	.	.	S	Bend	trans	-148.5	59.3	-178.8	62.8	-29.4	0	0	0	112.3	P228 G745 N781	P228-N784 PolarHBondContact O-ND2 2.93Å; G745-N784 CarbonylContact O-C 3.57Å; G745-N784 VanDerWaalsContact O-CA 3.25Å; G745-N784 WeakPolarHBondContact O-CA 3.28Å; N781-N784 PolarHBondContact ND2-O 2.93Å; N781-N784 VanDerWaalsContact ND2-O 3.08Å; N781-N784 PolarHBondContact OD1-N 3.09Å; N781-N784 PolarHBondContact OD1-OD1 2.7Å
785	P	94.6	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.			trans	-62.9	136.6	176.3	26.1	-32.8	0	0	0	111	S744 G745 L748 V778 N781 Y787	S744-P785 CarbonylContact C-O 3.53Å; S744-P785 WeakPolarHBondContact CA-O 3.38Å; S744-P785 VanDerWaalsContact CB-O 3.28Å; S744-P785 WeakPolarHBondContact CB-O 3.44Å; G745-P785 PolarHBondContact N-O 3.46Å; G745-P785 WeakPolarHBondContact O-CD 3.38Å; L748-P785 HydrophobicContact CD1-CG 3.52Å; L748-P785 HydrophobicContact CG-CG 4.4Å; V778-P785 HydrophobicContact CB-CB 3.85Å; V778-P785 HydrophobicContact CG1-CB 3.77Å; V778-P785 HydrophobicContact CG2-CB 4.16Å; N781-P785 WeakPolarHBondContact ND2-CA 3.45Å; N781-P785 WeakPolarHBondContact O-CB 3.23Å; N781-P785 WeakPolarHBondContact O-CD 3.19Å; N781-P785 WeakPolarHBondContact O-CG 3.38Å; P785-Y787 HydrophobicContact CB-CE1 4.48Å; P785-Y787 HydrophobicContact CG-CE2 4.35Å
786	V	95.9	Very high	93.4	Very high	71 Å²	71	56.6 Å²	56.6	43%	0.43	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-107.1	123.7	169.4	-179.4	0	0	0	0	107.3	I743 V778	I743-V786 CarbonylContact O-C 3.58Å; V778-V786 WeakPolarHBondContact CG2-O 3.32Å
787	Y	95.1	Very high	93.2	Very high	8 Å²	8	50.9 Å²	50.9	3%	0.031	28%	0.277	C	S	.	.			trans	-88.2	139.4	178.3	-56.3	-76.5	0	0	0	108.4	I742 I743 L748 T755 V757 T775 V778 P785 L850	I742-Y787 HydrophobicContact CG2-CD2 3.49Å; I742-Y787 VanDerWaalsContact CG2-CD2 3.49Å; I742-Y787 HydrophobicContact CG2-CE2 4.06Å; I742-Y787 HydrophobicContact CG2-CG 3.98Å; I743-Y787 PolarHBondContact O-N 3.33Å; L748-Y787 WeakPolarHBondContact CD1-OH 3.28Å; T755-Y787 PolarHBondContact OG1-OH 3.24Å; V757-Y787 HydrophobicContact CG2-CD2 4.42Å; V757-Y787 HydrophobicContact CG2-CE1 4.07Å; V757-Y787 HydrophobicContact CG2-CE2 3.75Å; T775-Y787 HydrophobicContact CG2-CD1 4.32Å; T775-Y787 HydrophobicContact CG2-CG 4.42Å; V778-Y787 HydrophobicContact CB-CE1 4.49Å; V778-Y787 HydrophobicContact CG2-CD1 3.62Å; V778-Y787 HydrophobicContact CG2-CE1 3.78Å; V778-Y787 HydrophobicContact CG2-CG 4.46Å; P785-Y787 HydrophobicContact CB-CE1 4.48Å; P785-Y787 HydrophobicContact CG-CE2 4.35Å; Y787-L850 HydrophobicContact CE2-CD2 4.43Å
788	G	88	Confident	93.1	Very high	40 Å²	40	48.2 Å²	48.2	41%	0.412	26%	0.261	S	S	.	.			trans	-63.8	164.7	-172.3	0	0	0	0	0	113.6	D790 A791	G788-D790 PolarHBondContact O-N 3.22Å; G788-A791 VanDerWaalsContact O-CB 3.23Å; G788-A791 WeakPolarHBondContact O-CB 3.4Å; G788-A791 PolarHBondContact O-N 2.9Å
789	D	89	Confident	93	Very high	131 Å²	131	46.8 Å²	46.8	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.2	-180	-76.1	-47.8	0	0	0	114.6	K741 A791	K741-D789 IonicContact NZ-OD1 3.4Å; K741-D789 PolarHBondContact NZ-OD1 3.41Å; D789-A791 VanDerWaalsContact C-N 3.28Å
790	D	92.1	Very high	92.9	Very high	86 Å²	86	42.6 Å²	42.6	46%	0.46	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.7	174.7	65.6	-34.8	0	0	0	113.9	R776 G788 V792	R776-D790 IonicContact CZ-OD2 3.81Å; R776-D790 IonicContact NE-OD1 2.75Å; R776-D790 IonicContact NE-OD2 3.91Å; R776-D790 PolarHBondContact NE-OD2 3.32Å; R776-D790 IonicContact NH2-OD2 2.69Å; R776-D790 PolarHBondContact NH2-OD2 3.17Å; G788-D790 PolarHBondContact O-N 3.22Å; D790-V792 PolarHBondContact O-N 3.22Å
791	A	94.9	Very high	93	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	20%	0.197	C	C	.	.			trans	-77.2	45.5	177.6	0	0	0	0	0	113.2	K741 I742 T775 G788 D789	K741-A791 CarbonylContact C-O 3.55Å; K741-A791 WeakPolarHBondContact CA-O 3.39Å; I742-A791 HydrophobicContact CB-CB 4.3Å; I742-A791 PolarHBondContact N-O 3.14Å; I742-A791 WeakPolarHBondContact O-CB 3.33Å; T775-A791 HydrophobicContact CG2-CB 3.91Å; G788-A791 VanDerWaalsContact O-CB 3.23Å; G788-A791 WeakPolarHBondContact O-CB 3.4Å; G788-A791 PolarHBondContact O-N 2.9Å; D789-A791 VanDerWaalsContact C-N 3.28Å
792	V	97	Very high	93	Very high	51 Å²	51	39.6 Å²	39.6	31%	0.309	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.8	178.1	-176.6	0	0	0	0	109.5	E739 K741 D790 V794	E739-V792 HydrophobicContact CG-CG1 3.64Å; E739-V792 WeakPolarHBondContact OE1-CG1 3.48Å; K741-V792 HydrophobicContact CB-CG2 4.03Å; K741-V792 HydrophobicContact CD-CG2 4Å; K741-V792 HydrophobicContact CG-CG2 3.81Å; D790-V792 PolarHBondContact O-N 3.22Å; V792-V794 HydrophobicContact CG1-CG2 4.22Å
793	F	97.1	Very high	93	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.044	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.2	-176.2	-53.3	-41	0	0	0	110	E739 V740 I742 V759 F773 T775 F795	E739-F793 CarbonylContact C-O 3.42Å; E739-F793 WeakPolarHBondContact CA-O 3.26Å; V740-F793 PolarHBondContact N-O 2.85Å; V740-F793 PolarHBondContact O-N 3.06Å; I742-F793 HydrophobicContact CG1-CD2 4.27Å; I742-F793 HydrophobicContact CG1-CE2 3.82Å; V759-F793 HydrophobicContact CB-CD2 3.79Å; V759-F793 HydrophobicContact CB-CE2 4.21Å; V759-F793 HydrophobicContact CG2-CD2 3.68Å; V759-F793 HydrophobicContact CG2-CE2 3.78Å; F773-F793 HydrophobicContact CB-CB 3.89Å; F773-F793 HydrophobicContact CB-CD1 3.57Å; F773-F793 HydrophobicContact CB-CD2 3.91Å; F773-F793 HydrophobicContact CB-CE1 4.02Å; F773-F793 HydrophobicContact CB-CE2 4.31Å; F773-F793 HydrophobicContact CB-CG 3.51Å; F773-F793 HydrophobicContact CB-CZ 4.37Å; F773-F793 HydrophobicContact CD1-CB 3.9Å; F773-F793 AromaticContact CD1-CD1 3.64Å; F773-F793 HydrophobicContact CD1-CD1 3.64Å; F773-F793 HydrophobicContact CD1-CG 4.02Å; F773-F793 HydrophobicContact CD2-CB 3.91Å; F773-F793 HydrophobicContact CD2-CG 4.48Å; F773-F793 HydrophobicContact CE1-CB 4.43Å; F773-F793 HydrophobicContact CE2-CB 4.41Å; F773-F793 HydrophobicContact CG-CB 3.62Å; F773-F793 AromaticContact CG-CD1 3.8Å; F773-F793 HydrophobicContact CG-CD1 3.8Å; F773-F793 AromaticContact CG-CG 3.77Å; F773-F793 HydrophobicContact CG-CG 3.77Å; T775-F793 HydrophobicContact CG2-CE2 4.07Å; T775-F793 HydrophobicContact CG2-CZ 3.73Å; F793-F795 HydrophobicContact CB-CE2 4.41Å
794	V	96	Very high	93.2	Very high	50 Å²	50	39.7 Å²	39.7	30%	0.303	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.4	-171.8	-171.8	0	0	0	0	110.6	E739 F773 V792 R796	E739-V794 HydrophobicContact CG-CG2 4.05Å; F773-V794 WeakPolarHBondContact CZ-O 3.25Å; V792-V794 HydrophobicContact CG1-CG2 4.22Å; V794-R796 HydrophobicContact CG1-CG 3.7Å; V794-R796 PolarHBondContact O-N 3.1Å
795	F	95.9	Very high	93.3	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	83.9	168	-53.8	-93.4	0	0	0	108.1	C738 V740 V759 M761 I769 F773 F793 K797 V798 L806	C738-F795 HydrophobicContact CB-CB 4.21Å; C738-F795 HydrophobicContact CB-CD2 4.46Å; C738-F795 PolarHBondContact N-O 3.48Å; C738-F795 WeakPolarHBondContact O-CA 3.34Å; C738-F795 WeakPolarHBondContact O-CB 3.49Å; C738-F795 WeakPolarHBondContact O-CD2 3.36Å; C738-F795 PolarHBondContact O-N 2.86Å; V740-F795 HydrophobicContact CG2-CE2 4.4Å; V759-F795 HydrophobicContact CG1-CE2 4.19Å; V759-F795 HydrophobicContact CG1-CZ 4.09Å; M761-F795 HydrophobicContact CB-CD1 3.58Å; M761-F795 HydrophobicContact CB-CE1 3.33Å; M761-F795 HydrophobicContact CB-CZ 4.13Å; M761-F795 HydrophobicContact CE-CB 3.84Å; M761-F795 HydrophobicContact CE-CD1 3.76Å; M761-F795 HydrophobicContact CE-CD2 4.01Å; M761-F795 HydrophobicContact CE-CE1 4.33Å; M761-F795 HydrophobicContact CE-CG 3.59Å; M761-F795 HydrophobicContact CG-CD1 4.36Å; M761-F795 HydrophobicContact SD-CB 4.29Å; M761-F795 HydrophobicContact SD-CD1 3.93Å; M761-F795 HydrophobicContact SD-CG 4.23Å; I769-F795 HydrophobicContact CB-CD1 4.29Å; I769-F795 HydrophobicContact CB-CE1 4.03Å; I769-F795 HydrophobicContact CD1-CD1 3.86Å; I769-F795 HydrophobicContact CD1-CE1 4.38Å; I769-F795 HydrophobicContact CG1-CD1 4.36Å; I769-F795 HydrophobicContact CG2-CE1 4.5Å; F773-F795 HydrophobicContact CD2-CD1 4.39Å; F773-F795 AromaticContact CD2-CE1 3.63Å; F773-F795 HydrophobicContact CD2-CE1 3.63Å; F773-F795 HydrophobicContact CD2-CE2 4.07Å; F773-F795 AromaticContact CD2-CZ 3.44Å; F773-F795 HydrophobicContact CD2-CZ 3.44Å; F773-F795 VanDerWaalsContact CD2-CZ 3.44Å; F773-F795 AromaticContact CE2-CD1 3.87Å; F773-F795 HydrophobicContact CE2-CD1 3.87Å; F773-F795 HydrophobicContact CE2-CD2 4.42Å; F773-F795 AromaticContact CE2-CE1 3.56Å; F773-F795 HydrophobicContact CE2-CE1 3.56Å; F773-F795 HydrophobicContact CE2-CE2 4.16Å; F773-F795 HydrophobicContact CE2-CG 4.28Å; F773-F795 AromaticContact CE2-CZ 3.72Å; F773-F795 HydrophobicContact CE2-CZ 3.72Å; F793-F795 HydrophobicContact CB-CE2 4.41Å; F795-K797 VanDerWaalsContact C-N 3.35Å; F795-K797 PolarHBondContact O-N 3.35Å; F795-V798 HydrophobicContact CB-CG2 4.14Å; F795-L806 HydrophobicContact CD2-CD2 4.31Å; F795-L806 HydrophobicContact CE1-CD2 4.44Å; F795-L806 HydrophobicContact CE2-CD2 3.75Å; F795-L806 HydrophobicContact CZ-CD2 3.82Å
796	R	92.1	Very high	93.5	Very high	186 Å²	186	38.3 Å²	38.3	70%	0.702	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	-41.5	-169.3	-70.2	-174.7	-179.1	-172.4	0.3	113.8	T737 V794 Y859	T737-R796 WeakPolarHBondContact CB-O 3.24Å; T737-R796 PolarHBondContact OG1-O 3.32Å; V794-R796 HydrophobicContact CG1-CG 3.7Å; V794-R796 PolarHBondContact O-N 3.1Å; R796-Y859 WeakPolarHBondContact O-CD2 3.4Å
797	K	92	Very high	93.6	Very high	66 Å²	66	35.2 Å²	35.2	29%	0.287	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	105.8	-174.2	-174.8	-172.5	-172.3	-174.7	0	108.8	E727 F795 V799 Y859	E727-K797 VanDerWaalsContact O-CE 3.31Å; E727-K797 WeakPolarHBondContact O-CE 3.46Å; E727-K797 PolarHBondContact O-NZ 2.76Å; F795-K797 VanDerWaalsContact C-N 3.35Å; F795-K797 PolarHBondContact O-N 3.35Å; K797-V799 HydrophobicContact CD-CG2 4.37Å; K797-V799 HydrophobicContact CG-CG2 4.27Å; K797-Y859 HydrophobicContact CB-CD2 4.15Å; K797-Y859 HydrophobicContact CB-CE2 4.01Å; K797-Y859 HydrophobicContact CD-CE1 4.24Å; K797-Y859 HydrophobicContact CD-CE2 4.38Å; K797-Y859 HydrophobicContact CG-CD1 4.29Å; K797-Y859 HydrophobicContact CG-CD2 4.18Å; K797-Y859 HydrophobicContact CG-CE1 4.11Å; K797-Y859 HydrophobicContact CG-CE2 4.01Å; K797-Y859 HydrophobicContact CG-CG 4.32Å
798	V	94	Very high	93.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	100.8	169.3	-170.5	0	0	0	0	107	A735 A736 M761 D767 F795 L800 P801 A804 L825	A735-V798 CarbonylContact C-O 3.56Å; A735-V798 VanDerWaalsContact CA-O 3.27Å; A735-V798 WeakPolarHBondContact CA-O 3.44Å; A735-V798 WeakPolarHBondContact CB-O 3.31Å; A736-V798 PolarHBondContact N-O 3Å; A736-V798 WeakPolarHBondContact O-CB 3.25Å; A736-V798 PolarHBondContact O-N 3.2Å; M761-V798 HydrophobicContact CE-CG2 3.91Å; M761-V798 HydrophobicContact SD-CB 4.44Å; M761-V798 HydrophobicContact SD-CG1 4Å; M761-V798 HydrophobicContact SD-CG2 3.56Å; M761-V798 VanDerWaalsContact SD-CG2 3.56Å; D767-V798 HydrophobicContact CB-CG1 4.27Å; D767-V798 WeakPolarHBondContact OD1-CA 3.5Å; F795-V798 HydrophobicContact CB-CG2 4.14Å; V798-L800 VanDerWaalsContact C-N 3.33Å; V798-P801 HydrophobicContact CG1-CG 4.32Å; V798-A804 HydrophobicContact CG1-CB 3.91Å; V798-L825 HydrophobicContact CB-CD2 4.32Å; V798-L825 HydrophobicContact CG1-CD2 3.83Å; V798-L825 HydrophobicContact CG2-CD2 4.3Å
799	V	92.1	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-61.9	-41.2	-177.2	172.9	0	0	0	0	111	L764 T766 D767 K797	L764-V799 HydrophobicContact CD1-CG1 4.17Å; T766-V799 HydrophobicContact CG2-CB 3.94Å; T766-V799 HydrophobicContact CG2-CG2 3.6Å; D767-V799 WeakPolarHBondContact OD1-CB 3.4Å; D767-V799 PolarHBondContact OD1-N 3.42Å; D767-V799 PolarHBondContact OD2-N 3.35Å; K797-V799 HydrophobicContact CD-CG2 4.37Å; K797-V799 HydrophobicContact CG-CG2 4.27Å
800	L	91	Very high	94.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.			trans	-131.6	85.3	-178.6	-176	61.7	0	0	0	112.7	F714 F722 M730 V733 L764 D767 V798 D802 L803 A804	F714-L800 HydrophobicContact CE1-CD1 3.42Å; F714-L800 VanDerWaalsContact CE1-CD1 3.42Å; F714-L800 HydrophobicContact CE1-CD2 4.44Å; F714-L800 HydrophobicContact CE2-CD1 4.31Å; F714-L800 HydrophobicContact CE2-CD2 3.86Å; F714-L800 HydrophobicContact CZ-CD1 3.2Å; F714-L800 HydrophobicContact CZ-CD2 3.38Å; F714-L800 HydrophobicContact CZ-CG 3.87Å; F722-L800 HydrophobicContact CZ-CD2 4.38Å; M730-L800 HydrophobicContact CE-CB 4.12Å; M730-L800 HydrophobicContact CE-CD1 3.96Å; M730-L800 HydrophobicContact CE-CD2 4.05Å; M730-L800 HydrophobicContact CE-CG 4.25Å; V733-L800 HydrophobicContact CG1-CD1 3.72Å; V733-L800 HydrophobicContact CG2-CD1 4.32Å; L764-L800 HydrophobicContact CD1-CB 3.57Å; L764-L800 HydrophobicContact CD1-CD2 3.95Å; L764-L800 HydrophobicContact CD1-CG 4.45Å; L764-L800 HydrophobicContact CD2-CD2 4.12Å; L764-L800 HydrophobicContact CG-CB 4.02Å; L764-L800 HydrophobicContact CG-CD2 4.06Å; D767-L800 PolarHBondContact OD2-N 3.05Å; V798-L800 VanDerWaalsContact C-N 3.33Å; L800-D802 VanDerWaalsContact C-N 3.32Å; L800-D802 PolarHBondContact O-N 2.87Å; L800-L803 HydrophobicContact CD2-CB 3.54Å; L800-L803 HydrophobicContact CD2-CD2 3.76Å; L800-L803 HydrophobicContact CD2-CG 4.3Å; L800-L803 HydrophobicContact CG-CB 3.84Å; L800-L803 PolarHBondContact O-N 3Å; L800-A804 PolarHBondContact O-N 3.03Å
801	P	91.7	Very high	94.9	Very high	7 Å²	7	24.3 Å²	24.3	5%	0.045	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-38	-178.7	-28.1	37.7	0	0	0	114.4	A736 V798 L803 A804 L825	A736-P801 HydrophobicContact CB-CB 4.38Å; A736-P801 HydrophobicContact CB-CG 3.61Å; V798-P801 HydrophobicContact CG1-CG 4.32Å; P801-L803 PolarHBondContact O-N 2.96Å; P801-L803 VanDerWaalsContact O-N 3.14Å; P801-A804 PolarHBondContact O-N 2.81Å; P801-A804 VanDerWaalsContact O-N 3.1Å; P801-L825 HydrophobicContact CB-CD2 3.88Å; P801-L825 HydrophobicContact CB-CG 4.44Å
802	D	88.7	Confident	94.9	Very high	89 Å²	89	25 Å²	25	48%	0.476	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.6	-177.1	-67.5	0.9	0	0	0	113.6	P712 L800	P712-D802 HydrophobicContact CG-CB 4.3Å; L800-D802 VanDerWaalsContact C-N 3.32Å; L800-D802 PolarHBondContact O-N 2.87Å
803	L	91.6	Very high	94.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-21	-179	-165.1	62.3	0	0	0	112.4	Y332 N676 K699 P712 L764 L800 P801	Y332-L803 HydrophobicContact CE2-CD1 3.95Å; Y332-L803 WeakPolarHBondContact OH-CD1 3.37Å; N676-L803 WeakPolarHBondContact OD1-CD2 3.48Å; K699-L803 PolarHBondContact NZ-O 2.86Å; P712-L803 HydrophobicContact CG-CD1 4.47Å; L764-L803 HydrophobicContact CD2-CD2 3.8Å; L800-L803 HydrophobicContact CD2-CB 3.54Å; L800-L803 HydrophobicContact CD2-CD2 3.76Å; L800-L803 HydrophobicContact CD2-CG 4.3Å; L800-L803 HydrophobicContact CG-CB 3.84Å; L800-L803 PolarHBondContact O-N 3Å; P801-L803 PolarHBondContact O-N 2.96Å; P801-L803 VanDerWaalsContact O-N 3.14Å
804	A	94.4	Very high	94.5	Very high	1 Å²	1	31 Å²	31	1%	0.008	15%	0.152	C	C	.	.			trans	-75.8	142.8	-174.7	0	0	0	0	0	112.8	M761 Y762 V798 L800 P801 L825	M761-A804 HydrophobicContact CG-CB 4.44Å; M761-A804 HydrophobicContact SD-CB 4.36Å; Y762-A804 CarbonylContact O-C 3.58Å; Y762-A804 VanDerWaalsContact O-CA 3.27Å; Y762-A804 WeakPolarHBondContact O-CA 3.37Å; V798-A804 HydrophobicContact CG1-CB 3.91Å; L800-A804 PolarHBondContact O-N 3.03Å; P801-A804 PolarHBondContact O-N 2.81Å; P801-A804 VanDerWaalsContact O-N 3.1Å; A804-L825 HydrophobicContact CB-CB 4.24Å; A804-L825 HydrophobicContact CB-CD2 4.23Å; A804-L825 PolarHBondContact O-N 2.97Å
805	V	97	Very high	94.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.3	173.1	-57.6	0	0	0	0	109.6	L695 K699 M761 Y762 V822 L823	L695-V805 HydrophobicContact CD2-CG2 3.89Å; K699-V805 HydrophobicContact CG-CG1 4.5Å; M761-V805 WeakPolarHBondContact CA-O 3.42Å; Y762-V805 PolarHBondContact N-O 2.85Å; Y762-V805 PolarHBondContact O-N 3.16Å; V805-V822 HydrophobicContact CB-CG1 3.93Å; V805-V822 HydrophobicContact CG2-CG1 4.06Å; V805-L823 CarbonylContact C-O 3.49Å; V805-L823 WeakPolarHBondContact CA-O 3.35Å
806	L	97.3	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.7	169.5	-79.6	168.1	0	0	0	109.6	V740 V759 D760 M761 F795 F808 V822 L823 L825 L828	V740-L806 HydrophobicContact CG2-CD1 4.24Å; V759-L806 HydrophobicContact CG1-CD2 4.03Å; D760-L806 CarbonylContact O-C 3.47Å; D760-L806 WeakPolarHBondContact O-CA 3.32Å; M761-L806 HydrophobicContact CB-CD2 4.18Å; M761-L806 HydrophobicContact CE-CD2 3.61Å; M761-L806 HydrophobicContact CE-CG 3.97Å; F795-L806 HydrophobicContact CD2-CD2 4.31Å; F795-L806 HydrophobicContact CE1-CD2 4.44Å; F795-L806 HydrophobicContact CE2-CD2 3.75Å; F795-L806 HydrophobicContact CZ-CD2 3.82Å; L806-F808 HydrophobicContact CB-CD2 4.49Å; L806-F808 HydrophobicContact CB-CE2 3.85Å; L806-F808 HydrophobicContact CD1-CE2 4.4Å; L806-F808 HydrophobicContact CD1-CZ 4.44Å; L806-V822 CarbonylContact O-C 3.58Å; L806-V822 VanDerWaalsContact O-CA 3.29Å; L806-V822 WeakPolarHBondContact O-CA 3.42Å; L806-L823 PolarHBondContact N-O 2.93Å; L806-L823 PolarHBondContact O-N 2.86Å; L806-L825 HydrophobicContact CD1-CD1 4.16Å; L806-L828 HydrophobicContact CD1-CD2 3.66Å
807	R	97.8	Very high	94.5	Very high	6 Å²	6	28.1 Å²	28.1	2%	0.023	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.8	172.5	178.9	-177.2	173.7	-89	-2.6	109.4	L691 L695 V759 D760 Y762 A809 Y811 R821 V822	L691-R807 VanDerWaalsContact CD1-CD 3.42Å; L691-R807 VanDerWaalsContact CD1-NE 3.31Å; L695-R807 HydrophobicContact CD2-CB 4.44Å; V759-R807 WeakPolarHBondContact CA-O 3.34Å; D760-R807 HydrophobicContact CB-CB 4.42Å; D760-R807 PolarHBondContact N-O 2.65Å; D760-R807 PolarHBondContact O-N 3.28Å; D760-R807 IonicContact OD2-NH1 3.32Å; D760-R807 PolarHBondContact OD2-NH1 3.15Å; Y762-R807 HydrophobicContact CD2-CB 4.4Å; Y762-R807 HydrophobicContact CE2-CB 4.06Å; R807-A809 VanDerWaalsContact CZ-CB 3.5Å; R807-A809 VanDerWaalsContact NH1-CB 3.28Å; R807-Y811 PolarHBondContact NH2-OH 2.94Å; R807-R821 CarbonylContact C-O 3.59Å; R807-R821 WeakPolarHBondContact CA-O 3.28Å; R807-V822 HydrophobicContact CB-CG2 4.33Å; R807-V822 HydrophobicContact CG-CG2 4.17Å
808	F	98.3	Very high	94.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.1	169.8	-61.1	-102.4	0	0	0	108.1	V740 I742 V759 L806 Q820 R821 L823 I835 L850	V740-F808 HydrophobicContact CG1-CE1 3.64Å; V740-F808 HydrophobicContact CG1-CZ 4.12Å; V740-F808 HydrophobicContact CG2-CZ 4.42Å; I742-F808 HydrophobicContact CD1-CD1 4.04Å; I742-F808 HydrophobicContact CD1-CE1 4.02Å; V759-F808 HydrophobicContact CG1-CD1 4.42Å; V759-F808 HydrophobicContact CG1-CE1 4.26Å; V759-F808 HydrophobicContact CG1-CZ 4.47Å; V759-F808 HydrophobicContact CG2-CD1 3.91Å; V759-F808 HydrophobicContact CG2-CE1 4.19Å; L806-F808 HydrophobicContact CB-CD2 4.49Å; L806-F808 HydrophobicContact CB-CE2 3.85Å; L806-F808 HydrophobicContact CD1-CE2 4.4Å; L806-F808 HydrophobicContact CD1-CZ 4.44Å; F808-Q820 CarbonylContact O-C 3.51Å; F808-Q820 WeakPolarHBondContact O-CA 3.29Å; F808-R821 PolarHBondContact N-O 3.13Å; F808-R821 PolarHBondContact O-N 2.81Å; F808-L823 HydrophobicContact CD2-CD1 4.33Å; F808-L823 HydrophobicContact CE2-CD1 3.93Å; F808-L823 HydrophobicContact CE2-CG 4.47Å; F808-I835 HydrophobicContact CD1-CD1 3.74Å; F808-I835 HydrophobicContact CD2-CD1 3.93Å; F808-I835 HydrophobicContact CE1-CD1 3.45Å; F808-I835 VanDerWaalsContact CE1-CD1 3.45Å; F808-I835 HydrophobicContact CE2-CD1 3.7Å; F808-I835 HydrophobicContact CG-CD1 3.97Å; F808-I835 HydrophobicContact CZ-CD1 3.45Å; F808-I835 VanDerWaalsContact CZ-CD1 3.45Å; F808-L850 HydrophobicContact CB-CD1 4.25Å; F808-L850 HydrophobicContact CD1-CD1 4.43Å
809	A	98.1	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132	177.4	0	0	0	0	0	110.9	V757 E758 R807 Y811 L817 Q820	V757-A809 CarbonylContact C-O 3.55Å; V757-A809 WeakPolarHBondContact CA-O 3.4Å; E758-A809 PolarHBondContact N-O 3.17Å; E758-A809 PolarHBondContact O-N 3.49Å; R807-A809 VanDerWaalsContact CZ-CB 3.5Å; R807-A809 VanDerWaalsContact NH1-CB 3.28Å; A809-Y811 HydrophobicContact CB-CD2 4.34Å; A809-Y811 HydrophobicContact CB-CE2 3.51Å; A809-L817 HydrophobicContact CB-CD1 4.1Å; A809-Q820 HydrophobicContact CB-CB 4.23Å
810	V	98.1	Very high	95.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.9	-179.6	-174.9	0	0	0	0	108.9	L748 Y756 V757 L817 I818 G819 L837 L850	L748-V810 HydrophobicContact CD1-CG1 3.83Å; L748-V810 HydrophobicContact CD2-CG1 4.27Å; L748-V810 HydrophobicContact CD2-CG2 4.5Å; L748-V810 HydrophobicContact CG-CG1 4.44Å; Y756-V810 WeakPolarHBondContact O-CA 3.38Å; V757-V810 HydrophobicContact CG2-CG2 4.17Å; V810-L817 WeakPolarHBondContact O-CD1 3.19Å; V810-I818 HydrophobicContact CB-CB 4.33Å; V810-I818 HydrophobicContact CG1-CB 4.28Å; V810-I818 HydrophobicContact CG1-CD1 4.06Å; V810-I818 WeakPolarHBondContact O-CB 3.43Å; V810-I818 PolarHBondContact O-N 3.09Å; V810-G819 PolarHBondContact N-O 3.04Å; V810-L837 HydrophobicContact CB-CD1 4.1Å; V810-L837 HydrophobicContact CG2-CD1 3.51Å; V810-L837 HydrophobicContact CG2-CD2 4.11Å; V810-L837 HydrophobicContact CG2-CG 4.47Å; V810-L850 HydrophobicContact CG2-CD1 3.79Å; V810-L850 HydrophobicContact CG2-CD2 3.81Å; V810-L850 HydrophobicContact CG2-CG 3.99Å
811	Y	97.5	Very high	95.4	Very high	35 Å²	35	26.9 Å²	26.9	14%	0.137	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.8	-178.9	-65.4	-89.2	0	0	0	111	T755 Y756 E758 R807 A809 G815 K816 L817	T755-Y811 CarbonylContact C-O 3.49Å; T755-Y811 VanDerWaalsContact CA-O 3.27Å; T755-Y811 WeakPolarHBondContact CA-O 3.42Å; Y756-Y811 HydrophobicContact CD2-CD2 4.32Å; Y756-Y811 VanDerWaalsContact CE1-CB 3.47Å; Y756-Y811 HydrophobicContact CE1-CG 4.45Å; Y756-Y811 AromaticContact CE2-CD2 3.67Å; Y756-Y811 HydrophobicContact CE2-CD2 3.67Å; Y756-Y811 AromaticContact CE2-CG 3.89Å; Y756-Y811 HydrophobicContact CE2-CG 3.89Å; Y756-Y811 AromaticContact CZ-CG 3.76Å; Y756-Y811 PolarHBondContact N-O 3.37Å; Y756-Y811 PolarHBondContact O-N 3.22Å; Y756-Y811 WeakPolarHBondContact OH-CB 3.36Å; E758-Y811 HydrophobicContact CB-CE2 4.14Å; E758-Y811 HydrophobicContact CG-CD2 4.04Å; E758-Y811 HydrophobicContact CG-CE2 3.93Å; E758-Y811 VanDerWaalsContact OE2-CE2 3.3Å; E758-Y811 WeakPolarHBondContact OE2-CE2 3.49Å; R807-Y811 PolarHBondContact NH2-OH 2.94Å; A809-Y811 HydrophobicContact CB-CD2 4.34Å; A809-Y811 HydrophobicContact CB-CE2 3.51Å; Y811-G815 WeakPolarHBondContact CD1-O 3.43Å; Y811-K816 CarbonylContact C-O 3.53Å; Y811-K816 VanDerWaalsContact CA-O 3.31Å; Y811-K816 WeakPolarHBondContact CA-O 3.45Å; Y811-L817 HydrophobicContact CD1-CB 4.11Å; Y811-L817 HydrophobicContact CD1-CD1 4.18Å; Y811-L817 HydrophobicContact CE1-CB 3.88Å; Y811-L817 HydrophobicContact CE1-CD1 3.8Å; Y811-L817 HydrophobicContact CE1-CG 4.36Å; Y811-L817 HydrophobicContact CE2-CD1 4.35Å
812	E	95.6	Very high	95.7	Very high	19 Å²	19	26.6 Å²	26.6	9%	0.089	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	157.7	160.8	-65.3	-177.5	-175.2	0	0	110.1	V753 G754 Y756 T814 G815 K816 I818	V753-E812 HydrophobicContact CG2-CG 4.15Å; G754-E812 CarbonylContact O-C 3.6Å; G754-E812 WeakPolarHBondContact O-CA 3.23Å; Y756-E812 WeakPolarHBondContact CE1-O 3.39Å; E812-T814 WeakPolarHBondContact CB-OG1 3.47Å; E812-T814 PolarHBondContact O-N 3.45Å; E812-T814 VanDerWaalsContact O-N 3.11Å; E812-T814 PolarHBondContact OE2-OG1 3.33Å; E812-G815 PolarHBondContact O-N 2.87Å; E812-K816 HydrophobicContact CB-CB 4.28Å; E812-K816 HydrophobicContact CG-CB 4.42Å; E812-K816 PolarHBondContact N-O 2.93Å; E812-I818 HydrophobicContact CG-CD1 3.73Å; E812-I818 HydrophobicContact CG-CG1 3.7Å
813	D	92.8	Very high	96.1	Very high	84 Å²	84	22.3 Å²	22.3	45%	0.449	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.1	171.7	59.5	-5.3	0	0	0	114	G754 V777 G815	G754-D813 PolarHBondContact O-N 2.93Å; V777-D813 HydrophobicContact CG1-CB 3.97Å; D813-G815 VanDerWaalsContact C-N 3.26Å; D813-G815 PolarHBondContact O-N 2.91Å
814	T	93	Very high	96.3	Very high	103 Å²	103	23.2 Å²	23.2	63%	0.632	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.1	171.8	63.5	0	0	0	0	114.2	E812 K816	E812-T814 WeakPolarHBondContact CB-OG1 3.47Å; E812-T814 PolarHBondContact O-N 3.45Å; E812-T814 VanDerWaalsContact O-N 3.11Å; E812-T814 PolarHBondContact OE2-OG1 3.33Å; T814-K816 PolarHBondContact OG1-N 3.45Å
815	G	93.1	Very high	96.3	Very high	38 Å²	38	23.2 Å²	23.2	39%	0.392	13%	0.128	S	C	.	.	S	Bend	trans	91	1	-172.3	0	0	0	0	0	114.4	Y811 E812 D813	Y811-G815 WeakPolarHBondContact CD1-O 3.43Å; E812-G815 PolarHBondContact O-N 2.87Å; D813-G815 VanDerWaalsContact C-N 3.26Å; D813-G815 PolarHBondContact O-N 2.91Å
816	K	94.7	Very high	95.9	Very high	118 Å²	118	25.8 Å²	25.8	51%	0.513	14%	0.142	S	C	.	.			trans	-70.8	131.4	174.8	-175.6	-174.3	171.6	-162.5	0	110.9	Y811 E812 T814 I818	Y811-K816 CarbonylContact C-O 3.53Å; Y811-K816 VanDerWaalsContact CA-O 3.31Å; Y811-K816 WeakPolarHBondContact CA-O 3.45Å; E812-K816 HydrophobicContact CB-CB 4.28Å; E812-K816 HydrophobicContact CG-CB 4.42Å; E812-K816 PolarHBondContact N-O 2.93Å; T814-K816 PolarHBondContact OG1-N 3.45Å; K816-I818 PolarHBondContact O-N 2.88Å
817	L	96.1	Very high	95.5	Very high	22 Å²	22	26.2 Å²	26.2	12%	0.115	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127	174.6	-177.5	57.1	0	0	0	110	A809 V810 Y811 G819 Q820 E840	A809-L817 HydrophobicContact CB-CD1 4.1Å; V810-L817 WeakPolarHBondContact O-CD1 3.19Å; Y811-L817 HydrophobicContact CD1-CB 4.11Å; Y811-L817 HydrophobicContact CD1-CD1 4.18Å; Y811-L817 HydrophobicContact CE1-CB 3.88Å; Y811-L817 HydrophobicContact CE1-CD1 3.8Å; Y811-L817 HydrophobicContact CE1-CG 4.36Å; Y811-L817 HydrophobicContact CE2-CD1 4.35Å; L817-G819 WeakPolarHBondContact CD1-O 3.28Å; L817-Q820 HydrophobicContact CD1-CB 4.4Å; L817-E840 HydrophobicContact CD2-CG 3.8Å; L817-E840 HydrophobicContact CG-CG 4.44Å
818	I	95.9	Very high	95.3	Very high	32 Å²	32	26 Å²	26	16%	0.164	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-48.1	174	-70.3	177.4	0	0	0	109.6	L748 T755 V810 E812 K816	L748-I818 HydrophobicContact CB-CD1 4.38Å; L748-I818 WeakPolarHBondContact O-CG2 3.05Å; T755-I818 HydrophobicContact CG2-CD1 3.74Å; V810-I818 HydrophobicContact CB-CB 4.33Å; V810-I818 HydrophobicContact CG1-CB 4.28Å; V810-I818 HydrophobicContact CG1-CD1 4.06Å; V810-I818 WeakPolarHBondContact O-CB 3.43Å; V810-I818 PolarHBondContact O-N 3.09Å; E812-I818 HydrophobicContact CG-CD1 3.73Å; E812-I818 HydrophobicContact CG-CG1 3.7Å; K816-I818 PolarHBondContact O-N 2.88Å
819	G	97	Very high	95.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	159.5	-178.5	0	0	0	0	0	111.1	V810 L817 R838	V810-G819 PolarHBondContact N-O 3.04Å; L817-G819 WeakPolarHBondContact CD1-O 3.28Å; G819-R838 CarbonylContact C-O 3.48Å; G819-R838 WeakPolarHBondContact CA-O 3.5Å
820	Q	97.5	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.6	-177.4	67.2	84	13.6	0	0	111.1	Q694 F808 A809 L817 R838 T839	Q694-Q820 HydrophobicContact CG-CG 4.25Å; F808-Q820 CarbonylContact O-C 3.51Å; F808-Q820 WeakPolarHBondContact O-CA 3.29Å; A809-Q820 HydrophobicContact CB-CB 4.23Å; L817-Q820 HydrophobicContact CD1-CB 4.4Å; Q820-R838 PolarHBondContact N-O 3.03Å; Q820-R838 WeakPolarHBondContact O-CA 3.29Å; Q820-R838 VanDerWaalsContact O-CB 3.23Å; Q820-R838 WeakPolarHBondContact O-CB 3.38Å; Q820-R838 PolarHBondContact O-N 3.15Å; Q820-T839 PolarHBondContact NE2-O 2.84Å
821	R	98	Very high	94.9	Very high	8 Å²	8	27.8 Å²	27.8	3%	0.03	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	129.7	169	-172.6	71.7	179.7	134.4	2.4	109.6	N150 E701 R807 F808 L823 I835 S836 R838	N150-R821 PolarHBondContact OD1-NH2 3.32Å; E701-R821 IonicContact OE1-NH1 3.45Å; E701-R821 IonicContact OE2-CZ 3.33Å; E701-R821 VanDerWaalsContact OE2-CZ 3.26Å; E701-R821 IonicContact OE2-NH1 2.7Å; E701-R821 PolarHBondContact OE2-NH1 3.21Å; E701-R821 IonicContact OE2-NH2 3.09Å; E701-R821 PolarHBondContact OE2-NH2 2.86Å; R807-R821 CarbonylContact C-O 3.59Å; R807-R821 WeakPolarHBondContact CA-O 3.28Å; F808-R821 PolarHBondContact N-O 3.13Å; F808-R821 PolarHBondContact O-N 2.81Å; R821-L823 HydrophobicContact CG-CD2 3.71Å; R821-L823 HydrophobicContact CG-CG 3.94Å; R821-I835 HydrophobicContact CB-CG2 3.69Å; R821-I835 HydrophobicContact CG-CG2 3.64Å; R821-S836 WeakPolarHBondContact CD-O 3.45Å; R821-R838 VanDerWaalsContact NH1-CZ 3.3Å
822	V	97.7	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.9	170	-177.7	0	0	0	0	108.9	L695 V805 L806 R807	L695-V822 HydrophobicContact CD2-CG1 4.1Å; L695-V822 HydrophobicContact CD2-CG2 4.03Å; V805-V822 HydrophobicContact CB-CG1 3.93Å; V805-V822 HydrophobicContact CG2-CG1 4.06Å; L806-V822 CarbonylContact O-C 3.58Å; L806-V822 VanDerWaalsContact O-CA 3.29Å; L806-V822 WeakPolarHBondContact O-CA 3.42Å; R807-V822 HydrophobicContact CB-CG2 4.33Å; R807-V822 HydrophobicContact CG-CG2 4.17Å
823	L	97	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.5	178.9	-59	179.3	0	0	0	109.4	C312 V313 Y702 V805 L806 F808 R821 L828 I835	C312-L823 HydrophobicContact CB-CD1 4.2Å; V313-L823 HydrophobicContact CG1-CB 4.38Å; V313-L823 HydrophobicContact CG1-CD2 4.04Å; Y702-L823 WeakPolarHBondContact OH-CD2 3.33Å; V805-L823 CarbonylContact C-O 3.49Å; V805-L823 WeakPolarHBondContact CA-O 3.35Å; L806-L823 PolarHBondContact N-O 2.93Å; L806-L823 PolarHBondContact O-N 2.86Å; F808-L823 HydrophobicContact CD2-CD1 4.33Å; F808-L823 HydrophobicContact CE2-CD1 3.93Å; F808-L823 HydrophobicContact CE2-CG 4.47Å; R821-L823 HydrophobicContact CG-CD2 3.71Å; R821-L823 HydrophobicContact CG-CG 3.94Å; L823-L828 HydrophobicContact CB-CD1 4.06Å; L823-L828 HydrophobicContact CD1-CD1 3.84Å; L823-I835 HydrophobicContact CD1-CD1 3.96Å; L823-I835 HydrophobicContact CD1-CG1 4.31Å; L823-I835 HydrophobicContact CD1-CG2 4.37Å
824	P	95.6	Very high	95.2	Very high	20 Å²	20	24 Å²	24	13%	0.13	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.4	173	29.8	-33.1	0	0	0	109.3	Y702 D826	Y702-P824 HydrophobicContact CD1-CG 4.14Å; Y702-P824 HydrophobicContact CD2-CG 4Å; Y702-P824 HydrophobicContact CE1-CG 3.84Å; Y702-P824 HydrophobicContact CE2-CG 3.74Å; Y702-P824 HydrophobicContact CG-CG 4.22Å; Y702-P824 VanDerWaalsContact OH-CD 3.23Å; Y702-P824 WeakPolarHBondContact OH-CD 3.36Å; P824-D826 PolarHBondContact O-N 3.25Å
825	L	93.8	Very high	95.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.104	C	C	.	.	S	Bend	trans	-69	-30.2	173.5	-161.8	65.2	0	0	0	110.6	C738 M761 V798 P801 A804 L806 G827 L828 L856	C738-L825 HydrophobicContact CB-CD1 4.24Å; M761-L825 HydrophobicContact CE-CD2 4.35Å; V798-L825 HydrophobicContact CB-CD2 4.32Å; V798-L825 HydrophobicContact CG1-CD2 3.83Å; V798-L825 HydrophobicContact CG2-CD2 4.3Å; P801-L825 HydrophobicContact CB-CD2 3.88Å; P801-L825 HydrophobicContact CB-CG 4.44Å; A804-L825 HydrophobicContact CB-CB 4.24Å; A804-L825 HydrophobicContact CB-CD2 4.23Å; A804-L825 PolarHBondContact O-N 2.97Å; L806-L825 HydrophobicContact CD1-CD1 4.16Å; L825-G827 PolarHBondContact O-N 2.72Å; L825-G827 VanDerWaalsContact O-N 3.11Å; L825-L828 HydrophobicContact CD1-CD2 3.76Å; L825-L828 PolarHBondContact O-N 2.76Å; L825-L856 HydrophobicContact CD1-CD2 3.74Å
826	D	90	Very high	95.6	Very high	54 Å²	54	18.3 Å²	18.3	29%	0.289	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	104.9	167.3	178.3	30.4	0	0	0	111	K317 Y321 P824	K317-D826 PolarHBondContact NZ-O 3.47Å; K317-D826 IonicContact NZ-OD1 3.06Å; K317-D826 PolarHBondContact NZ-OD1 3.06Å; K317-D826 IonicContact NZ-OD2 3.62Å; K317-D826 PolarHBondContact NZ-OD2 3.34Å; Y321-D826 PolarHBondContact OH-OD2 3.02Å; P824-D826 PolarHBondContact O-N 3.25Å
827	G	88.4	Confident	95.8	Very high	9 Å²	9	12.7 Å²	12.7	9%	0.093	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	7	179.4	0	0	0	0	0	115.3	V313 F314 L825	V313-G827 CarbonylContact C-O 3.56Å; V313-G827 VanDerWaalsContact CA-O 3.27Å; V313-G827 WeakPolarHBondContact CA-O 3.5Å; F314-G827 WeakPolarHBondContact CD2-O 3.28Å; F314-G827 PolarHBondContact N-O 3.35Å; L825-G827 PolarHBondContact O-N 2.72Å; L825-G827 VanDerWaalsContact O-N 3.11Å
828	L	94.3	Very high	95.8	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-63.8	138.8	164.4	-168.4	72.3	0	0	0	109.9	C312 V313 L806 L823 L825 V854 L856	C312-L828 WeakPolarHBondContact O-CD1 3.41Å; V313-L828 HydrophobicContact CG1-CD1 4.19Å; L806-L828 HydrophobicContact CD1-CD2 3.66Å; L823-L828 HydrophobicContact CB-CD1 4.06Å; L823-L828 HydrophobicContact CD1-CD1 3.84Å; L825-L828 HydrophobicContact CD1-CD2 3.76Å; L825-L828 PolarHBondContact O-N 2.76Å; L828-V854 HydrophobicContact CD2-CG1 3.76Å; L828-V854 HydrophobicContact CG-CG1 4.29Å; L828-L856 HydrophobicContact CB-CD1 4.22Å; L828-L856 HydrophobicContact CD2-CD1 4.24Å; L828-L856 HydrophobicContact CD2-CD2 4.43Å; L828-L856 HydrophobicContact CG-CD1 4.27Å; L828-L856 WeakPolarHBondContact O-CD1 3.27Å
829	Q	93.8	Very high	95.7	Very high	33 Å²	33	11.7 Å²	11.7	15%	0.154	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-103.3	143.3	179.1	-56.9	-170.9	49.3	0	0	111.5	A311 C312 V313 F314 R833	A311-Q829 PolarHBondContact O-NE2 2.78Å; A311-Q829 VanDerWaalsContact O-NE2 3.14Å; C312-Q829 PolarHBondContact O-N 2.86Å; V313-Q829 PolarHBondContact O-NE2 2.86Å; F314-Q829 HydrophobicContact CD1-CG 4.22Å; F314-Q829 HydrophobicContact CD2-CG 4.49Å; F314-Q829 HydrophobicContact CE1-CG 4.12Å; F314-Q829 HydrophobicContact CE2-CG 4.39Å; F314-Q829 HydrophobicContact CG-CG 4.39Å; F314-Q829 HydrophobicContact CZ-CG 4.22Å; Q829-R833 VanDerWaalsContact CB-CZ 3.47Å
830	A	94.7	Very high	95.5	Very high	4 Å²	4	16 Å²	16	3%	0.033	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-76.9	170.6	177	0	0	0	0	0	112.8	Q259 D261 R833 V854 L856	Q259-A830 CarbonylContact O-C 3.59Å; D261-A830 HydrophobicContact CB-CB 4.17Å; A830-R833 PolarHBondContact O-NE 3.11Å; A830-R833 PolarHBondContact O-NH2 2.82Å; A830-V854 CarbonylContact C-O 3.59Å; A830-V854 VanDerWaalsContact CA-O 3.22Å; A830-V854 WeakPolarHBondContact CA-O 3.29Å; A830-L856 HydrophobicContact CB-CB 4.49Å; A830-L856 HydrophobicContact CB-CD1 4.45Å
831	G	96	Very high	95.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.1	-166.7	179.1	0	0	0	0	0	115.5	T258 R833 Q853 V854	T258-G831 WeakPolarHBondContact O-CA 3.48Å; T258-G831 PolarHBondContact O-N 3.06Å; G831-R833 PolarHBondContact O-N 3.4Å; G831-Q853 CarbonylContact O-C 3.6Å; G831-Q853 WeakPolarHBondContact O-CA 3.47Å; G831-V854 PolarHBondContact N-O 2.94Å; G831-V854 PolarHBondContact O-N 2.87Å
832	Y	97.9	Very high	94.9	Very high	40 Å²	40	17 Å²	17	16%	0.157	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	114	176.2	-66.2	-86.1	0	0	0	110.6	L235 F254 T258 Q259 N310 I743 F851 C852 Q853	L235-Y832 HydrophobicContact CD1-CD2 4.35Å; L235-Y832 HydrophobicContact CD1-CE1 4.3Å; L235-Y832 HydrophobicContact CD1-CE2 3.64Å; L235-Y832 HydrophobicContact CD2-CD1 3.82Å; L235-Y832 HydrophobicContact CD2-CD2 3.73Å; L235-Y832 HydrophobicContact CD2-CE1 3.94Å; L235-Y832 HydrophobicContact CD2-CE2 3.84Å; L235-Y832 HydrophobicContact CD2-CG 3.71Å; L235-Y832 HydrophobicContact CG-CE2 4.41Å; F254-Y832 AromaticContact CE2-CD2 3.65Å; F254-Y832 HydrophobicContact CE2-CD2 3.65Å; F254-Y832 AromaticContact CE2-CE2 3.87Å; F254-Y832 HydrophobicContact CE2-CE2 3.87Å; F254-Y832 AromaticContact CZ-CD2 3.87Å; F254-Y832 HydrophobicContact CZ-CD2 3.87Å; T258-Y832 HydrophobicContact CG2-CD2 4.01Å; T258-Y832 HydrophobicContact CG2-CE2 3.72Å; Q259-Y832 PolarHBondContact NE2-O 3.41Å; Q259-Y832 VanDerWaalsContact NE2-O 3.15Å; N310-Y832 PolarHBondContact ND2-O 2.97Å; I743-Y832 HydrophobicContact CD1-CD1 3.57Å; I743-Y832 HydrophobicContact CD1-CE1 3.52Å; Y832-F851 HydrophobicContact CD1-CE1 4.04Å; Y832-F851 AromaticContact CD1-CZ 3.72Å; Y832-F851 HydrophobicContact CD1-CZ 3.72Å; Y832-F851 HydrophobicContact CG-CZ 4.13Å; Y832-C852 CarbonylContact C-O 3.51Å; Y832-C852 WeakPolarHBondContact CA-O 3.48Å; Y832-Q853 HydrophobicContact CD1-CB 4.06Å; Y832-Q853 HydrophobicContact CE1-CB 4.02Å; Y832-Q853 HydrophobicContact CE1-CG 4.34Å
833	R	97.2	Very high	94.7	Very high	6 Å²	6	18.8 Å²	18.8	2%	0.023	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.4	-174.8	-57.6	-60.9	174.2	167.4	-9.6	110.8	Q259 N310 A311 C312 Q829 A830 G831 C852	Q259-R833 PolarHBondContact O-NH2 3.04Å; N310-R833 VanDerWaalsContact C-NH1 3.33Å; N310-R833 WeakPolarHBondContact O-CD 3.48Å; N310-R833 PolarHBondContact O-NH1 3.24Å; N310-R833 PolarHBondContact OD1-NH1 3.33Å; A311-R833 PolarHBondContact O-NH1 3.32Å; C312-R833 HydrophobicContact CB-CB 4.02Å; C312-R833 HydrophobicContact CB-CG 4.37Å; Q829-R833 VanDerWaalsContact CB-CZ 3.47Å; A830-R833 PolarHBondContact O-NE 3.11Å; A830-R833 PolarHBondContact O-NH2 2.82Å; G831-R833 PolarHBondContact O-N 3.4Å; R833-C852 PolarHBondContact N-O 3.32Å; R833-C852 PolarHBondContact O-N 3.45Å
834	H	97.9	Very high	94.5	Very high	11 Å²	11	19.6 Å²	19.6	5%	0.051	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.3	165.6	-71.1	95	0	0	0	109.8	P153 R229 L305 T849 L850 F851	P153-H834 HydrophobicContact CG-CB 3.41Å; P153-H834 VanDerWaalsContact CG-CB 3.41Å; R229-H834 PolarHBondContact NH1-NE2 2.81Å; R229-H834 PolarHBondContact NH2-NE2 2.72Å; L305-H834 PolarHBondContact O-ND1 3.27Å; H834-T849 HydrophobicContact CB-CG2 3.88Å; H834-L850 CarbonylContact C-O 3.49Å; H834-L850 VanDerWaalsContact CA-O 3.26Å; H834-L850 WeakPolarHBondContact CA-O 3.14Å; H834-F851 AromaticContact CD2-CD2 3.7Å; H834-F851 AromaticContact CE1-CD2 3.53Å; H834-F851 AromaticContact CE1-CE2 3.71Å; H834-F851 AromaticContact CG-CD2 3.93Å; H834-F851 AromaticContact ND1-CD2 3.84Å; H834-F851 AromaticContact NE2-CD2 3.46Å; H834-F851 WeakPolarHBondContact NE2-CD2 3.43Å
835	I	97.6	Very high	94.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	100.9	178.8	-58	-179.3	0	0	0	108.2	C312 F808 R821 L823 T849 L850 C852	C312-I835 HydrophobicContact CB-CG1 4.3Å; F808-I835 HydrophobicContact CD1-CD1 3.74Å; F808-I835 HydrophobicContact CD2-CD1 3.93Å; F808-I835 HydrophobicContact CE1-CD1 3.45Å; F808-I835 VanDerWaalsContact CE1-CD1 3.45Å; F808-I835 HydrophobicContact CE2-CD1 3.7Å; F808-I835 HydrophobicContact CG-CD1 3.97Å; F808-I835 HydrophobicContact CZ-CD1 3.45Å; F808-I835 VanDerWaalsContact CZ-CD1 3.45Å; R821-I835 HydrophobicContact CB-CG2 3.69Å; R821-I835 HydrophobicContact CG-CG2 3.64Å; L823-I835 HydrophobicContact CD1-CD1 3.96Å; L823-I835 HydrophobicContact CD1-CG1 4.31Å; L823-I835 HydrophobicContact CD1-CG2 4.37Å; I835-T849 WeakPolarHBondContact O-CA 3.44Å; I835-L850 HydrophobicContact CB-CB 4.36Å; I835-L850 PolarHBondContact N-O 3.48Å; I835-L850 PolarHBondContact O-N 3.22Å; I835-C852 WeakPolarHBondContact CD1-SG 3.39Å
836	S	97	Very high	94.1	Very high	21 Å²	21	21.1 Å²	21.1	15%	0.147	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.5	173.1	-60.7	0	0	0	0	110.3	R821	R821-S836 WeakPolarHBondContact CD-O 3.45Å
837	L	97.6	Very high	94.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	161.9	-174.1	-59.1	175.2	0	0	0	112	L748 V810 L845 P848 L850	L748-L837 HydrophobicContact CD2-CD1 3.88Å; V810-L837 HydrophobicContact CB-CD1 4.1Å; V810-L837 HydrophobicContact CG2-CD1 3.51Å; V810-L837 HydrophobicContact CG2-CD2 4.11Å; V810-L837 HydrophobicContact CG2-CG 4.47Å; L837-L845 HydrophobicContact CB-CD1 4.15Å; L837-L845 WeakPolarHBondContact O-CB 3.32Å; L837-L845 PolarHBondContact O-N 2.98Å; L837-P848 HydrophobicContact CB-CB 4.18Å; L837-P848 HydrophobicContact CD1-CB 3.93Å; L837-P848 HydrophobicContact CG-CB 4.43Å; L837-P848 PolarHBondContact N-O 3.23Å; L837-L850 HydrophobicContact CD2-CD1 4.03Å; L837-L850 HydrophobicContact CD2-CG 4.15Å
838	R	96	Very high	94.6	Very high	8 Å²	8	20.1 Å²	20.1	3%	0.03	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	160.8	176.9	-53.4	-62.6	-171.7	89.3	-0.3	110.7	A149 N150 E701 G819 Q820 R821 N842 F843 P844	A149-R838 PolarHBondContact O-NH2 3.02Å; A149-R838 VanDerWaalsContact O-NH2 3.1Å; N150-R838 VanDerWaalsContact CG-NH2 3.29Å; N150-R838 PolarHBondContact ND2-NH2 3.27Å; N150-R838 PolarHBondContact OD1-NH2 3.38Å; E701-R838 IonicContact OE1-CZ 2.79Å; E701-R838 VanDerWaalsContact OE1-CZ 3.25Å; E701-R838 IonicContact OE1-NH1 3.54Å; E701-R838 PolarHBondContact OE1-NH1 3.22Å; E701-R838 IonicContact OE1-NH2 3.26Å; E701-R838 PolarHBondContact OE1-NH2 3.02Å; E701-R838 IonicContact OE2-NH1 3.8Å; E701-R838 IonicContact OE2-NH2 3.03Å; G819-R838 CarbonylContact C-O 3.48Å; G819-R838 WeakPolarHBondContact CA-O 3.5Å; Q820-R838 PolarHBondContact N-O 3.03Å; Q820-R838 WeakPolarHBondContact O-CA 3.29Å; Q820-R838 VanDerWaalsContact O-CB 3.23Å; Q820-R838 WeakPolarHBondContact O-CB 3.38Å; Q820-R838 PolarHBondContact O-N 3.15Å; R821-R838 VanDerWaalsContact NH1-CZ 3.3Å; R838-N842 PolarHBondContact NH1-O 3.15Å; R838-F843 CarbonylContact C-O 3.54Å; R838-F843 WeakPolarHBondContact CA-O 3.11Å; R838-F843 WeakPolarHBondContact CB-O 3.22Å; R838-P844 VanDerWaalsContact CD-CA 3.44Å
839	T	94.6	Very high	94.8	Very high	26 Å²	26	20.4 Å²	20.4	16%	0.16	11%	0.108	C	C	.	.			trans	-67.4	176.6	167.6	67	0	0	0	0	111.2	Q820 G841 N842 F843 L845	Q820-T839 PolarHBondContact NE2-O 2.84Å; T839-G841 VanDerWaalsContact C-N 3.26Å; T839-G841 PolarHBondContact O-N 3.17Å; T839-G841 PolarHBondContact OG1-N 2.96Å; T839-N842 PolarHBondContact O-N 3.46Å; T839-F843 HydrophobicContact CG2-CB 4.25Å; T839-F843 PolarHBondContact N-O 3.12Å; T839-F843 WeakPolarHBondContact OG1-CB 3.24Å; T839-F843 PolarHBondContact OG1-N 2.64Å; T839-F843 VanDerWaalsContact OG1-N 3.1Å; T839-L845 HydrophobicContact CG2-CD2 3.62Å; T839-L845 HydrophobicContact CG2-CG 4.13Å
840	E	92.3	Very high	95	Very high	91 Å²	91	18.9 Å²	18.9	43%	0.425	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.8	173.2	-50.6	-169.2	154.7	0	0	112.1	P689 Q694 L817 N842	P689-E840 HydrophobicContact CB-CB 4.05Å; P689-E840 HydrophobicContact CG-CB 4.37Å; Q694-E840 VanDerWaalsContact CG-O 3.31Å; Q694-E840 WeakPolarHBondContact CG-O 2.94Å; L817-E840 HydrophobicContact CD2-CG 3.8Å; L817-E840 HydrophobicContact CG-CG 4.44Å; E840-N842 PolarHBondContact O-N 3.17Å
841	G	90.5	Very high	95.1	Very high	11 Å²	11	18.7 Å²	18.7	11%	0.113	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	19.5	172.6	0	0	0	0	0	114.7	Q697 T839 F843	Q697-G841 PolarHBondContact OE1-O 2.9Å; T839-G841 VanDerWaalsContact C-N 3.26Å; T839-G841 PolarHBondContact O-N 3.17Å; T839-G841 PolarHBondContact OG1-N 2.96Å; G841-F843 WeakPolarHBondContact O-CD2 3.31Å; G841-F843 WeakPolarHBondContact O-CE2 3.46Å; G841-F843 PolarHBondContact O-N 3.38Å; G841-F843 VanDerWaalsContact O-N 3.17Å
842	N	93.8	Very high	95.2	Very high	17 Å²	17	18.6 Å²	18.6	9%	0.091	10%	0.099	C	C	.	.			trans	62.4	17	177.5	-157.8	40.2	0	0	0	116.3	Q697 R838 T839 E840	Q697-N842 HydrophobicContact CB-CB 3.71Å; Q697-N842 PolarHBondContact O-ND2 3.27Å; Q697-N842 VanDerWaalsContact OE1-CB 3.29Å; R838-N842 PolarHBondContact NH1-O 3.15Å; T839-N842 PolarHBondContact O-N 3.46Å; E840-N842 PolarHBondContact O-N 3.17Å
843	F	92	Very high	95.2	Very high	39 Å²	39	18.6 Å²	18.6	17%	0.171	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-76.4	142.7	174.4	-65.8	-94.3	0	0	0	111.4	L114 R838 T839 G841 L845	L114-F843 VanDerWaalsContact C-CE2 3.47Å; L114-F843 WeakPolarHBondContact O-CD2 3.34Å; L114-F843 VanDerWaalsContact O-CE2 3.31Å; L114-F843 WeakPolarHBondContact O-CE2 3.49Å; R838-F843 CarbonylContact C-O 3.54Å; R838-F843 WeakPolarHBondContact CA-O 3.11Å; R838-F843 WeakPolarHBondContact CB-O 3.22Å; T839-F843 HydrophobicContact CG2-CB 4.25Å; T839-F843 PolarHBondContact N-O 3.12Å; T839-F843 WeakPolarHBondContact OG1-CB 3.24Å; T839-F843 PolarHBondContact OG1-N 2.64Å; T839-F843 VanDerWaalsContact OG1-N 3.1Å; G841-F843 WeakPolarHBondContact O-CD2 3.31Å; G841-F843 WeakPolarHBondContact O-CE2 3.46Å; G841-F843 PolarHBondContact O-N 3.38Å; G841-F843 VanDerWaalsContact O-N 3.17Å; F843-L845 PolarHBondContact O-N 3.31Å
844	P	92.9	Very high	95.2	Very high	16 Å²	16	18.4 Å²	18.4	10%	0.104	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.9	-177.6	26.4	-33.9	0	0	0	113.2	A149 R838	A149-P844 HydrophobicContact CB-CG 4.21Å; R838-P844 VanDerWaalsContact CD-CA 3.44Å
845	L	92.7	Very high	95.1	Very high	40 Å²	40	19.7 Å²	19.7	21%	0.209	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.5	167.3	-62.2	171.2	0	0	0	108.5	L837 T839 F843 P848	L837-L845 HydrophobicContact CB-CD1 4.15Å; L837-L845 WeakPolarHBondContact O-CB 3.32Å; L837-L845 PolarHBondContact O-N 2.98Å; T839-L845 HydrophobicContact CG2-CD2 3.62Å; T839-L845 HydrophobicContact CG2-CG 4.13Å; F843-L845 PolarHBondContact O-N 3.31Å; L845-P848 HydrophobicContact CB-CB 4.24Å; L845-P848 HydrophobicContact CB-CG 3.89Å; L845-P848 HydrophobicContact CD1-CB 4.26Å; L845-P848 HydrophobicContact CD1-CG 4.14Å
846	S	89	Confident	94.9	Very high	14 Å²	14	19.8 Å²	19.8	10%	0.098	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-50.9	-172.5	-47.3	0	0	0	0	113.1	Q156	Q156-S846 WeakPolarHBondContact CB-O 3.33Å
847	L	93.3	Very high	94.7	Very high	22 Å²	22	21.8 Å²	21.8	12%	0.115	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-44.4	-174.2	-62	177.4	0	0	0	115.2	L157 H160 T182 F747 T849	L157-L847 HydrophobicContact CD2-CD2 3.83Å; H160-L847 HydrophobicContact CB-CD2 3.66Å; H160-L847 HydrophobicContact CB-CG 4.17Å; T182-L847 HydrophobicContact CG2-CD1 3.89Å; F747-L847 HydrophobicContact CB-CB 3.47Å; F747-L847 VanDerWaalsContact CB-CB 3.47Å; F747-L847 HydrophobicContact CB-CD1 4.34Å; F747-L847 HydrophobicContact CD1-CD1 4.01Å; F747-L847 HydrophobicContact CD2-CB 3.95Å; F747-L847 HydrophobicContact CD2-CD2 4.24Å; F747-L847 HydrophobicContact CD2-CG 4.49Å; F747-L847 HydrophobicContact CE1-CD1 4.36Å; F747-L847 HydrophobicContact CE2-CD2 4.29Å; F747-L847 HydrophobicContact CG-CB 3.78Å; F747-L847 HydrophobicContact CG-CD1 4.08Å; F747-L847 HydrophobicContact CG-CG 4.4Å; L847-T849 PolarHBondContact O-N 3.18Å; L847-T849 PolarHBondContact O-OG1 3.48Å; L847-T849 VanDerWaalsContact O-OG1 3.06Å
848	P	95.8	Very high	94.4	Very high	19 Å²	19	25.1 Å²	25.1	12%	0.123	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	112	-177	-25.7	33.2	0	0	0	112.8	Q746 F747 L837 L845	Q746-P848 WeakPolarHBondContact O-CA 3.49Å; F747-P848 WeakPolarHBondContact O-CG 3.44Å; L837-P848 HydrophobicContact CB-CB 4.18Å; L837-P848 HydrophobicContact CD1-CB 3.93Å; L837-P848 HydrophobicContact CG-CB 4.43Å; L837-P848 PolarHBondContact N-O 3.23Å; L845-P848 HydrophobicContact CB-CB 4.24Å; L845-P848 HydrophobicContact CB-CG 3.89Å; L845-P848 HydrophobicContact CD1-CB 4.26Å; L845-P848 HydrophobicContact CD1-CG 4.14Å
849	T	97.4	Very high	94.1	Very high	9 Å²	9	27.5 Å²	27.5	6%	0.055	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.2	-176.3	-58.3	0	0	0	0	109.7	P153 G745 Q746 H834 I835 L847	P153-T849 HydrophobicContact CG-CG2 4.18Å; G745-T849 CarbonylContact C-O 3.53Å; G745-T849 VanDerWaalsContact CA-O 3.29Å; G745-T849 WeakPolarHBondContact CA-O 3.14Å; Q746-T849 PolarHBondContact N-O 3.35Å; Q746-T849 PolarHBondContact O-N 3.12Å; Q746-T849 PolarHBondContact OE1-O 3.29Å; H834-T849 HydrophobicContact CB-CG2 3.88Å; I835-T849 WeakPolarHBondContact O-CA 3.44Å; L847-T849 PolarHBondContact O-N 3.18Å; L847-T849 PolarHBondContact O-OG1 3.48Å; L847-T849 VanDerWaalsContact O-OG1 3.06Å
850	L	98.1	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	148.4	168.3	-67.3	175.5	0	0	0	110.2	L748 V757 Y787 F808 V810 H834 I835 L837	L748-L850 HydrophobicContact CD2-CD2 4.33Å; V757-L850 HydrophobicContact CG1-CD1 3.85Å; V757-L850 HydrophobicContact CG2-CD1 4.46Å; V757-L850 HydrophobicContact CG2-CD2 3.85Å; Y787-L850 HydrophobicContact CE2-CD2 4.43Å; F808-L850 HydrophobicContact CB-CD1 4.25Å; F808-L850 HydrophobicContact CD1-CD1 4.43Å; V810-L850 HydrophobicContact CG2-CD1 3.79Å; V810-L850 HydrophobicContact CG2-CD2 3.81Å; V810-L850 HydrophobicContact CG2-CG 3.99Å; H834-L850 CarbonylContact C-O 3.49Å; H834-L850 VanDerWaalsContact CA-O 3.26Å; H834-L850 WeakPolarHBondContact CA-O 3.14Å; I835-L850 HydrophobicContact CB-CB 4.36Å; I835-L850 PolarHBondContact N-O 3.48Å; I835-L850 PolarHBondContact O-N 3.22Å; L837-L850 HydrophobicContact CD2-CD1 4.03Å; L837-L850 HydrophobicContact CD2-CG 4.15Å
851	F	98	Very high	93.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.6	166.5	-173.7	-122.5	0	0	0	108.8	D231 I232 L235 L305 I743 S744 Y832 H834	D231-F851 HydrophobicContact CB-CD1 4.33Å; D231-F851 VanDerWaalsContact OD2-CD1 3.25Å; D231-F851 WeakPolarHBondContact OD2-CD1 3.37Å; I232-F851 HydrophobicContact CG1-CE1 3.95Å; I232-F851 HydrophobicContact CG1-CZ 3.98Å; L235-F851 HydrophobicContact CD2-CZ 4.49Å; L305-F851 HydrophobicContact CD1-CZ 4.34Å; I743-F851 HydrophobicContact CB-CD1 4.04Å; I743-F851 WeakPolarHBondContact CB-O 3.38Å; I743-F851 HydrophobicContact CD1-CD1 3.92Å; I743-F851 HydrophobicContact CD1-CE1 3.85Å; I743-F851 HydrophobicContact CG2-CD1 4.05Å; I743-F851 HydrophobicContact CG2-CE1 4.49Å; I743-F851 PolarHBondContact N-O 3.29Å; S744-F851 PolarHBondContact N-O 3.11Å; S744-F851 VanDerWaalsContact N-O 3.11Å; S744-F851 PolarHBondContact O-N 3.05Å; S744-F851 WeakPolarHBondContact OG-CB 3.39Å; Y832-F851 HydrophobicContact CD1-CE1 4.04Å; Y832-F851 AromaticContact CD1-CZ 3.72Å; Y832-F851 HydrophobicContact CD1-CZ 3.72Å; Y832-F851 HydrophobicContact CG-CZ 4.13Å; H834-F851 AromaticContact CD2-CD2 3.7Å; H834-F851 AromaticContact CE1-CD2 3.53Å; H834-F851 AromaticContact CE1-CE2 3.71Å; H834-F851 AromaticContact CG-CD2 3.93Å; H834-F851 AromaticContact ND1-CD2 3.84Å; H834-F851 AromaticContact NE2-CD2 3.46Å; H834-F851 WeakPolarHBondContact NE2-CD2 3.43Å
852	C	97.8	Very high	92.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	161.8	-176.9	61.9	0	0	0	0	111.2	K741 I742 Y832 R833 I835	K741-C852 CarbonylContact O-C 3.57Å; K741-C852 WeakPolarHBondContact O-CA 3.43Å; K741-C852 WeakPolarHBondContact O-CB 2.92Å; I742-C852 HydrophobicContact CD1-CB 3.95Å; Y832-C852 CarbonylContact C-O 3.51Å; Y832-C852 WeakPolarHBondContact CA-O 3.48Å; R833-C852 PolarHBondContact N-O 3.32Å; R833-C852 PolarHBondContact O-N 3.45Å; I835-C852 WeakPolarHBondContact CD1-SG 3.39Å
853	Q	97.4	Very high	92.3	Very high	39 Å²	39	37.1 Å²	37.1	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.1	166.5	-178.7	-175.2	5.6	0	0	108.7	V740 K741 I743 G831 Y832	V740-Q853 WeakPolarHBondContact CA-O 3.49Å; K741-Q853 HydrophobicContact CB-CB 4.24Å; K741-Q853 PolarHBondContact N-O 3.25Å; K741-Q853 PolarHBondContact O-N 3.32Å; I743-Q853 HydrophobicContact CD1-CB 4.24Å; G831-Q853 CarbonylContact O-C 3.6Å; G831-Q853 WeakPolarHBondContact O-CA 3.47Å; Y832-Q853 HydrophobicContact CD1-CB 4.06Å; Y832-Q853 HydrophobicContact CE1-CB 4.02Å; Y832-Q853 HydrophobicContact CE1-CG 4.34Å
854	V	97.3	Very high	92	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.6	177.1	179.1	0	0	0	0	108.2	E739 L828 A830 G831 L856	E739-V854 CarbonylContact O-C 3.48Å; E739-V854 WeakPolarHBondContact O-CA 3.38Å; L828-V854 HydrophobicContact CD2-CG1 3.76Å; L828-V854 HydrophobicContact CG-CG1 4.29Å; A830-V854 CarbonylContact C-O 3.59Å; A830-V854 VanDerWaalsContact CA-O 3.22Å; A830-V854 WeakPolarHBondContact CA-O 3.29Å; G831-V854 PolarHBondContact N-O 2.94Å; G831-V854 PolarHBondContact O-N 2.87Å; V854-L856 HydrophobicContact CG1-CD1 4.15Å; V854-L856 HydrophobicContact CG1-CG 4.04Å
855	S	96.1	Very high	91.4	Very high	39 Å²	39	42.3 Å²	42.3	27%	0.273	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.8	173.7	-53.2	0	0	0	0	109	C738 E739	C738-S855 CarbonylContact C-O 3.35Å; C738-S855 WeakPolarHBondContact CA-O 3.37Å; E739-S855 PolarHBondContact N-O 3.38Å; E739-S855 PolarHBondContact O-N 3.41Å
856	L	94.4	Very high	90.9	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.5	-179.1	-68.4	160.5	0	0	0	108.1	P262 C738 L825 L828 A830 V854	P262-L856 WeakPolarHBondContact CD-O 3.26Å; P262-L856 WeakPolarHBondContact CG-O 3.49Å; C738-L856 HydrophobicContact CB-CD2 3.93Å; L825-L856 HydrophobicContact CD1-CD2 3.74Å; L828-L856 HydrophobicContact CB-CD1 4.22Å; L828-L856 HydrophobicContact CD2-CD1 4.24Å; L828-L856 HydrophobicContact CD2-CD2 4.43Å; L828-L856 HydrophobicContact CG-CD1 4.27Å; L828-L856 WeakPolarHBondContact O-CD1 3.27Å; A830-L856 HydrophobicContact CB-CB 4.49Å; A830-L856 HydrophobicContact CB-CD1 4.45Å; V854-L856 HydrophobicContact CG1-CD1 4.15Å; V854-L856 HydrophobicContact CG1-CG 4.04Å
857	T	92.2	Very high	90.8	Very high	64 Å²	64	50.6 Å²	50.6	39%	0.393	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.9	178.3	52.7	0	0	0	0	110.4	P262 A736 T737	P262-T857 HydrophobicContact CG-CG2 4.25Å; A736-T857 CarbonylContact C-O 3.54Å; A736-T857 WeakPolarHBondContact CA-O 3.45Å; T737-T857 WeakPolarHBondContact CB-OG1 3.15Å; T737-T857 PolarHBondContact N-O 3.47Å; T737-T857 PolarHBondContact O-N 2.93Å
858	T	90.8	Very high	90.3	Very high	69 Å²	69	52 Å²	52	42%	0.423	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.9	172.1	-57.2	0	0	0	0	109	I734 V860	I734-T858 HydrophobicContact CG2-CG2 3.67Å; T858-V860 PolarHBondContact O-N 3.48Å
859	Y	89.2	Confident	89.6	Confident	58 Å²	58	56.2 Å²	56.2	23%	0.227	32%	0.32	C	S	.	.			trans	-68.6	120.9	174.8	169.5	-104.3	0	0	0	109.9	P729 A735 R796 K797 P861	P729-Y859 HydrophobicContact CG-CD1 4.33Å; P729-Y859 HydrophobicContact CG-CE1 4.26Å; A735-Y859 HydrophobicContact CB-CD1 3.97Å; A735-Y859 HydrophobicContact CB-CG 4.3Å; A735-Y859 PolarHBondContact O-N 2.87Å; R796-Y859 WeakPolarHBondContact O-CD2 3.4Å; K797-Y859 HydrophobicContact CB-CD2 4.15Å; K797-Y859 HydrophobicContact CB-CE2 4.01Å; K797-Y859 HydrophobicContact CD-CE1 4.24Å; K797-Y859 HydrophobicContact CD-CE2 4.38Å; K797-Y859 HydrophobicContact CG-CD1 4.29Å; K797-Y859 HydrophobicContact CG-CD2 4.18Å; K797-Y859 HydrophobicContact CG-CE1 4.11Å; K797-Y859 HydrophobicContact CG-CE2 4.01Å; K797-Y859 HydrophobicContact CG-CG 4.32Å; Y859-P861 HydrophobicContact CE1-CG 4Å
860	V	85.7	Confident	89.1	Confident	36 Å²	36	56.7 Å²	56.7	22%	0.218	33%	0.325	C	S	.	.			trans	-108.9	121.4	174.1	-177.3	0	0	0	0	108.8	T858 L864 N865 V868	T858-V860 PolarHBondContact O-N 3.48Å; V860-L864 HydrophobicContact CG1-CB 4.29Å; V860-N865 WeakPolarHBondContact CG1-OD1 3.29Å; V860-V868 HydrophobicContact CG1-CB 4.44Å; V860-V868 HydrophobicContact CG1-CG2 3.76Å; V860-V868 HydrophobicContact CG2-CG1 4.25Å; V860-V868 HydrophobicContact CG2-CG2 4.14Å
861	P	83.5	Confident	88.6	Confident	56 Å²	56	62.9 Å²	62.9	36%	0.364	36%	0.357	S	S	.	.			trans	-58.6	144	174.6	-23.5	33.1	0	0	0	112.3	Y859 G863 L864	Y859-P861 HydrophobicContact CE1-CG 4Å; P861-G863 PolarHBondContact O-N 2.93Å; P861-L864 HydrophobicContact CB-CD1 4.19Å; P861-L864 HydrophobicContact CG-CD1 4.24Å; P861-L864 PolarHBondContact O-N 2.93Å; P861-L864 VanDerWaalsContact O-N 3.16Å
862	E	82.5	Confident	87.9	Confident	184 Å²	184	67.3 Å²	67.3	86%	0.86	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	132.7	177.8	-70.4	-176.4	179	0	0	111.3
863	G	82.1	Confident	87.3	Confident	72 Å²	72	71.2 Å²	71.2	74%	0.742	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-9	-177.7	0	0	0	0	0	115.4	P861	P861-G863 PolarHBondContact O-N 2.93Å
864	L	84.9	Confident	86.7	Confident	81 Å²	81	72.8 Å²	72.8	42%	0.424	42%	0.423	S	S	.	.			trans	-105.4	2.5	178.2	-63.2	179.9	0	0	0	114.5	V860 P861 D866 L867 V868	V860-L864 HydrophobicContact CG1-CB 4.29Å; P861-L864 HydrophobicContact CB-CD1 4.19Å; P861-L864 HydrophobicContact CG-CD1 4.24Å; P861-L864 PolarHBondContact O-N 2.93Å; P861-L864 VanDerWaalsContact O-N 3.16Å; L864-D866 VanDerWaalsContact C-N 3.34Å; L864-D866 PolarHBondContact O-N 3.31Å; L864-L867 HydrophobicContact CD2-CD2 4.35Å; L864-L867 WeakPolarHBondContact O-CB 3.48Å; L864-L867 PolarHBondContact O-N 3.44Å; L864-L867 VanDerWaalsContact O-N 3.14Å; L864-V868 PolarHBondContact O-N 3.41Å; L864-V868 VanDerWaalsContact O-N 3.08Å
865	N	82.2	Confident	85.9	Confident	83 Å²	83	83 Å²	83	44%	0.444	46%	0.461	S	S	.	.	H	α-helix	trans	-55.8	-46.4	-179.4	-68.2	-54.3	0	0	0	112.4	V860 L867 V868 D869	V860-N865 WeakPolarHBondContact CG1-OD1 3.29Å; N865-L867 PolarHBondContact O-N 3Å; N865-V868 PolarHBondContact O-N 2.71Å; N865-V868 VanDerWaalsContact O-N 3.09Å; N865-D869 PolarHBondContact O-N 2.9Å
866	D	82	Confident	85.2	Confident	127 Å²	127	82.9 Å²	82.9	68%	0.679	46%	0.463	S	S	*	.	H	α-helix	trans	-59.9	-35.4	179.9	-64.3	-21.6	0	0	0	112.5	L864 A870	L864-D866 VanDerWaalsContact C-N 3.34Å; L864-D866 PolarHBondContact O-N 3.31Å; D866-A870 WeakPolarHBondContact O-CB 3.44Å; D866-A870 PolarHBondContact O-N 2.99Å; D866-A870 VanDerWaalsContact O-N 3.08Å
867	L	86.1	Confident	84.6	Confident	101 Å²	101	87.7 Å²	87.7	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-70.2	-43	177.2	-179.9	65.6	0	0	0	111	L864 N865 A870 L871	L864-L867 HydrophobicContact CD2-CD2 4.35Å; L864-L867 WeakPolarHBondContact O-CB 3.48Å; L864-L867 PolarHBondContact O-N 3.44Å; L864-L867 VanDerWaalsContact O-N 3.14Å; N865-L867 PolarHBondContact O-N 3Å; L867-A870 PolarHBondContact O-N 3.48Å; L867-L871 HydrophobicContact CG-CD1 4.31Å; L867-L871 VanDerWaalsContact O-CG 3.32Å; L867-L871 WeakPolarHBondContact O-CG 3.41Å; L867-L871 PolarHBondContact O-N 3.19Å
868	V	83.2	Confident	84	Confident	52 Å²	52	89.8 Å²	89.8	32%	0.315	49%	0.492	S	S	.	.	H	α-helix	trans	-65.9	-41	178.5	175.1	0	0	0	0	111	V860 L864 N865 A870 L871 S872	V860-V868 HydrophobicContact CG1-CB 4.44Å; V860-V868 HydrophobicContact CG1-CG2 3.76Å; V860-V868 HydrophobicContact CG2-CG1 4.25Å; V860-V868 HydrophobicContact CG2-CG2 4.14Å; L864-V868 PolarHBondContact O-N 3.41Å; L864-V868 VanDerWaalsContact O-N 3.08Å; N865-V868 PolarHBondContact O-N 2.71Å; N865-V868 VanDerWaalsContact O-N 3.09Å; V868-A870 VanDerWaalsContact C-N 3.33Å; V868-A870 PolarHBondContact O-N 2.79Å; V868-L871 PolarHBondContact O-N 3.11Å; V868-S872 WeakPolarHBondContact O-CB 3.33Å; V868-S872 PolarHBondContact O-N 2.9Å; V868-S872 PolarHBondContact O-OG 3.48Å
869	D	81.7	Confident	83.6	Confident	107 Å²	107	89.2 Å²	89.2	57%	0.572	49%	0.491	S	S	*	.	H	α-helix	trans	-61.8	-42.5	175.1	-73.5	-10.4	0	0	0	111.2	N865 L871 S872 D873	N865-D869 PolarHBondContact O-N 2.9Å; D869-L871 VanDerWaalsContact C-N 3.33Å; D869-L871 PolarHBondContact O-N 3.48Å; D869-S872 PolarHBondContact O-N 3.09Å; D869-D873 PolarHBondContact O-N 2.82Å; D869-D873 VanDerWaalsContact O-N 3.11Å
870	A	85.2	Confident	83.1	Confident	18 Å²	18	92.9 Å²	92.9	15%	0.149	51%	0.508	C	S	.	.	H	α-helix	trans	-64.3	-35.5	175.8	0	0	0	0	0	113	D866 L867 V868 D873 P874 F877	D866-A870 WeakPolarHBondContact O-CB 3.44Å; D866-A870 PolarHBondContact O-N 2.99Å; D866-A870 VanDerWaalsContact O-N 3.08Å; L867-A870 PolarHBondContact O-N 3.48Å; V868-A870 VanDerWaalsContact C-N 3.33Å; V868-A870 PolarHBondContact O-N 2.79Å; A870-D873 CarbonylContact O-C 3.47Å; A870-P874 WeakPolarHBondContact O-CA 3.37Å; A870-F877 HydrophobicContact CB-CB 4.19Å; A870-F877 HydrophobicContact CB-CD1 4.33Å; A870-F877 HydrophobicContact CB-CD2 3.54Å; A870-F877 HydrophobicContact CB-CE2 3.95Å; A870-F877 HydrophobicContact CB-CG 3.75Å
871	L	88.4	Confident	82.7	Confident	130 Å²	130	95.9 Å²	95.9	68%	0.681	52%	0.52	S	S	*	.	H	α-helix	trans	-74.2	-31.5	175.9	-71.1	172.2	0	0	0	112.6	L867 V868 D869	L867-L871 HydrophobicContact CG-CD1 4.31Å; L867-L871 VanDerWaalsContact O-CG 3.32Å; L867-L871 WeakPolarHBondContact O-CG 3.41Å; L867-L871 PolarHBondContact O-N 3.19Å; V868-L871 PolarHBondContact O-N 3.11Å; D869-L871 VanDerWaalsContact C-N 3.33Å; D869-L871 PolarHBondContact O-N 3.48Å
872	S	83.3	Confident	82.6	Confident	93 Å²	93	98.3 Å²	98.3	65%	0.65	53%	0.526	S	S	*	.	H	α-helix	trans	-73.9	-38.1	-179.3	-56.8	0	0	0	0	112.1	V868 D869	V868-S872 WeakPolarHBondContact O-CB 3.33Å; V868-S872 PolarHBondContact O-N 2.9Å; V868-S872 PolarHBondContact O-OG 3.48Å; D869-S872 PolarHBondContact O-N 3.09Å
873	D	84.7	Confident	82.5	Confident	83 Å²	83	94.8 Å²	94.8	44%	0.444	51%	0.51	S	S	.	.			trans	-137.1	81.9	171.6	-169.3	-12.1	0	0	0	112	D869 A870 R875 A876 F877	D869-D873 PolarHBondContact O-N 2.82Å; D869-D873 VanDerWaalsContact O-N 3.11Å; A870-D873 CarbonylContact O-C 3.47Å; D873-R875 PolarHBondContact O-N 2.72Å; D873-R875 PolarHBondContact OD1-N 3Å; D873-A876 HydrophobicContact CB-CB 4.1Å; D873-A876 PolarHBondContact O-N 3.48Å; D873-A876 PolarHBondContact OD1-N 3.07Å; D873-A876 VanDerWaalsContact OD2-CB 3.23Å; D873-A876 WeakPolarHBondContact OD2-CB 3.48Å; D873-F877 PolarHBondContact O-N 2.92Å; D873-F877 VanDerWaalsContact O-N 3.16Å
874	P	84.6	Confident	82.5	Confident	72 Å²	72	99.6 Å²	99.6	47%	0.468	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-25.2	-178	24.5	-33.2	0	0	0	112.5	A870 L878	A870-P874 WeakPolarHBondContact O-CA 3.37Å; P874-L878 WeakPolarHBondContact O-CB 3.42Å; P874-L878 VanDerWaalsContact O-CG 3.25Å; P874-L878 WeakPolarHBondContact O-CG 3.25Å; P874-L878 PolarHBondContact O-N 2.69Å
875	R	82	Confident	82.1	Confident	215 Å²	215	99.4 Å²	99.4	81%	0.811	50%	0.503	S	S	*	.	H	α-helix	trans	-72.6	-44.1	178.7	-70.1	-177.3	177.7	179.8	1	110.9	D873 F877 S879	D873-R875 PolarHBondContact O-N 2.72Å; D873-R875 PolarHBondContact OD1-N 3Å; R875-F877 VanDerWaalsContact C-N 3.34Å; R875-S879 VanDerWaalsContact O-CB 3.25Å; R875-S879 WeakPolarHBondContact O-CB 3.49Å; R875-S879 PolarHBondContact O-N 2.88Å
876	A	81.3	Confident	82.1	Confident	38 Å²	38	101.8 Å²	101.8	31%	0.314	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-38.9	176.2	0	0	0	0	0	112.1	D873 S879 K880	D873-A876 HydrophobicContact CB-CB 4.1Å; D873-A876 PolarHBondContact O-N 3.48Å; D873-A876 PolarHBondContact OD1-N 3.07Å; D873-A876 VanDerWaalsContact OD2-CB 3.23Å; D873-A876 WeakPolarHBondContact OD2-CB 3.48Å; A876-S879 PolarHBondContact O-N 2.88Å; A876-K880 WeakPolarHBondContact O-CG 3.37Å; A876-K880 PolarHBondContact O-N 2.84Å
877	F	80	Confident	82	Confident	103 Å²	103	101.3 Å²	101.3	45%	0.452	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-54.2	175.8	-174.1	-89.5	0	0	0	111.5	A870 D873 R875 S879 K880 E881	A870-F877 HydrophobicContact CB-CB 4.19Å; A870-F877 HydrophobicContact CB-CD1 4.33Å; A870-F877 HydrophobicContact CB-CD2 3.54Å; A870-F877 HydrophobicContact CB-CE2 3.95Å; A870-F877 HydrophobicContact CB-CG 3.75Å; D873-F877 PolarHBondContact O-N 2.92Å; D873-F877 VanDerWaalsContact O-N 3.16Å; R875-F877 VanDerWaalsContact C-N 3.34Å; F877-S879 VanDerWaalsContact C-N 3.3Å; F877-S879 PolarHBondContact O-N 3.41Å; F877-K880 PolarHBondContact O-N 2.83Å; F877-E881 PolarHBondContact O-N 2.81Å; F877-E881 VanDerWaalsContact O-N 3.08Å
878	L	80.3	Confident	81.7	Confident	107 Å²	107	99.5 Å²	99.5	56%	0.56	49%	0.494	S	S	*	.	H	α-helix	trans	-61.1	-38.1	178.2	-71.2	170.4	0	0	0	112	P874 K880 E881 E882	P874-L878 WeakPolarHBondContact O-CB 3.42Å; P874-L878 VanDerWaalsContact O-CG 3.25Å; P874-L878 WeakPolarHBondContact O-CG 3.25Å; P874-L878 PolarHBondContact O-N 2.69Å; L878-K880 PolarHBondContact O-N 3.32Å; L878-E881 PolarHBondContact O-N 3.07Å; L878-E882 WeakPolarHBondContact O-CB 3.43Å; L878-E882 PolarHBondContact O-N 2.99Å
879	S	83.3	Confident	81.5	Confident	57 Å²	57	100 Å²	100	40%	0.399	50%	0.503	S	S	.	.	H	α-helix	trans	-65.1	-37.4	177.4	179.3	0	0	0	0	112.7	R875 A876 F877 Q883	R875-S879 VanDerWaalsContact O-CB 3.25Å; R875-S879 WeakPolarHBondContact O-CB 3.49Å; R875-S879 PolarHBondContact O-N 2.88Å; A876-S879 PolarHBondContact O-N 2.88Å; F877-S879 VanDerWaalsContact C-N 3.3Å; F877-S879 PolarHBondContact O-N 3.41Å; S879-Q883 WeakPolarHBondContact O-CB 3.42Å; S879-Q883 WeakPolarHBondContact O-CG 3.27Å; S879-Q883 PolarHBondContact O-N 3.21Å
880	K	78.6	Confident	81.5	Confident	135 Å²	135	99.6 Å²	99.6	59%	0.587	51%	0.509	S	S	*	.	H	α-helix	trans	-68.1	-39.7	175.3	-78.6	178.1	179.8	171.7	0	111.1	A876 F877 L878 Q883 R884	A876-K880 WeakPolarHBondContact O-CG 3.37Å; A876-K880 PolarHBondContact O-N 2.84Å; F877-K880 PolarHBondContact O-N 2.83Å; L878-K880 PolarHBondContact O-N 3.32Å; K880-Q883 PolarHBondContact O-N 3.26Å; K880-R884 WeakPolarHBondContact O-CG 3.32Å; K880-R884 PolarHBondContact O-N 2.84Å
881	E	77.1	Confident	81	Confident	100 Å²	100	106 Å²	106	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-65	-44.8	175.7	-170	164.8	-165.7	0	0	111.4	F877 L878 Q883 R884 M885	F877-E881 PolarHBondContact O-N 2.81Å; F877-E881 VanDerWaalsContact O-N 3.08Å; L878-E881 PolarHBondContact O-N 3.07Å; E881-Q883 PolarHBondContact O-N 3.44Å; E881-R884 PolarHBondContact O-N 3.36Å; E881-M885 WeakPolarHBondContact O-CG 3.4Å; E881-M885 PolarHBondContact O-N 3.33Å
882	E	81.4	Confident	80.5	Confident	106 Å²	106	102.7 Å²	102.7	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-39	175.3	-161.2	-167.7	151.1	0	0	111.9	L878 M885 K886	L878-E882 WeakPolarHBondContact O-CB 3.43Å; L878-E882 PolarHBondContact O-N 2.99Å; E882-M885 PolarHBondContact O-N 2.72Å; E882-K886 WeakPolarHBondContact O-CB 3.17Å; E882-K886 WeakPolarHBondContact O-CG 3.42Å; E882-K886 PolarHBondContact O-N 3.16Å; E882-K886 WeakPolarHBondContact OE1-CE 3.47Å; E882-K886 IonicContact OE1-NZ 2.69Å; E882-K886 PolarHBondContact OE1-NZ 2.97Å
883	Q	80.6	Confident	79.8	Confident	111 Å²	111	101.5 Å²	101.5	52%	0.519	52%	0.52	S	S	.	.	H	α-helix	trans	-63.7	-42.2	172.6	-88.6	-174.8	-8.8	0	0	112.2	S879 K880 E881 K886 Q887	S879-Q883 WeakPolarHBondContact O-CB 3.42Å; S879-Q883 WeakPolarHBondContact O-CG 3.27Å; S879-Q883 PolarHBondContact O-N 3.21Å; K880-Q883 PolarHBondContact O-N 3.26Å; E881-Q883 PolarHBondContact O-N 3.44Å; Q883-K886 PolarHBondContact O-N 2.79Å; Q883-Q887 WeakPolarHBondContact O-CB 3.24Å; Q883-Q887 WeakPolarHBondContact O-CG 3.4Å; Q883-Q887 PolarHBondContact O-N 3.02Å
884	R	80.7	Confident	79.1	Confident	172 Å²	172	101.8 Å²	101.8	65%	0.649	52%	0.522	S	S	*	.	H	α-helix	trans	-61.8	-44.7	174.7	-77.1	176.9	-173.7	168.7	2.3	110.9	K880 E881 K886 Q887 L888	K880-R884 WeakPolarHBondContact O-CG 3.32Å; K880-R884 PolarHBondContact O-N 2.84Å; E881-R884 PolarHBondContact O-N 3.36Å; R884-K886 PolarHBondContact O-N 3.44Å; R884-Q887 PolarHBondContact O-N 3.33Å; R884-L888 WeakPolarHBondContact O-CB 3.11Å; R884-L888 WeakPolarHBondContact O-CG 3.2Å; R884-L888 PolarHBondContact O-N 3.01Å
885	M	78.4	Confident	78.3	Confident	78 Å²	78	102 Å²	102	38%	0.384	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-41.6	175.7	-74.8	-62.8	-69.6	0	0	112.1	E881 E882 L888 A889 I898	E881-M885 WeakPolarHBondContact O-CG 3.4Å; E881-M885 PolarHBondContact O-N 3.33Å; E882-M885 PolarHBondContact O-N 2.72Å; M885-L888 PolarHBondContact O-N 2.9Å; M885-L888 HydrophobicContact SD-CD1 4.46Å; M885-A889 WeakPolarHBondContact O-CB 3.45Å; M885-A889 PolarHBondContact O-N 3.04Å; M885-I898 HydrophobicContact CE-CD1 4.19Å; M885-I898 HydrophobicContact SD-CD1 3.98Å
886	K	80.4	Confident	77.8	Confident	132 Å²	132	96.4 Å²	96.4	57%	0.574	52%	0.519	S	S	*	.	H	α-helix	trans	-64.6	-40.2	174.3	-81.4	172.5	172.4	157.9	0	112.6	E882 Q883 R884 S890	E882-K886 WeakPolarHBondContact O-CB 3.17Å; E882-K886 WeakPolarHBondContact O-CG 3.42Å; E882-K886 PolarHBondContact O-N 3.16Å; E882-K886 WeakPolarHBondContact OE1-CE 3.47Å; E882-K886 IonicContact OE1-NZ 2.69Å; E882-K886 PolarHBondContact OE1-NZ 2.97Å; Q883-K886 PolarHBondContact O-N 2.79Å; R884-K886 PolarHBondContact O-N 3.44Å; K886-S890 WeakPolarHBondContact O-CB 3.28Å; K886-S890 PolarHBondContact O-N 2.9Å
887	Q	81.3	Confident	77.2	Confident	118 Å²	118	101.1 Å²	101.1	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-66.8	-43.8	175.9	-74.6	177.1	9.7	0	0	111.4	Q883 R884 A889 S890 M891	Q883-Q887 WeakPolarHBondContact O-CB 3.24Å; Q883-Q887 WeakPolarHBondContact O-CG 3.4Å; Q883-Q887 PolarHBondContact O-N 3.02Å; R884-Q887 PolarHBondContact O-N 3.33Å; Q887-A889 PolarHBondContact O-N 2.75Å; Q887-S890 WeakPolarHBondContact CA-OG 3.47Å; Q887-S890 PolarHBondContact O-N 2.89Å; Q887-S890 VanDerWaalsContact O-N 3.16Å; Q887-S890 PolarHBondContact O-OG 3.48Å; Q887-M891 WeakPolarHBondContact O-CG 3.48Å; Q887-M891 PolarHBondContact O-N 3.12Å; Q887-M891 VanDerWaalsContact O-N 3.1Å
888	L	79.5	Confident	76.7	Confident	63 Å²	63	99.7 Å²	99.7	33%	0.33	53%	0.531	S	S	.	.	H	α-helix	trans	-59.7	-45.1	174.3	-76.3	162.2	0	0	0	111.6	R884 M885 S890 M891 G892 I893 I898	R884-L888 WeakPolarHBondContact O-CB 3.11Å; R884-L888 WeakPolarHBondContact O-CG 3.2Å; R884-L888 PolarHBondContact O-N 3.01Å; M885-L888 PolarHBondContact O-N 2.9Å; M885-L888 HydrophobicContact SD-CD1 4.46Å; L888-S890 VanDerWaalsContact C-N 3.32Å; L888-S890 PolarHBondContact O-N 3.41Å; L888-M891 PolarHBondContact O-N 3.29Å; L888-M891 VanDerWaalsContact O-N 3.09Å; L888-G892 PolarHBondContact O-N 2.96Å; L888-I893 HydrophobicContact CD2-CD1 4.13Å; L888-I893 PolarHBondContact O-N 2.84Å; L888-I898 HydrophobicContact CD1-CD1 4.28Å
889	A	79.4	Confident	76.1	Confident	62 Å²	62	98.2 Å²	98.2	51%	0.512	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-39.1	174.4	0	0	0	0	0	112.2	M885 Q887 M891 G892 I893	M885-A889 WeakPolarHBondContact O-CB 3.45Å; M885-A889 PolarHBondContact O-N 3.04Å; Q887-A889 PolarHBondContact O-N 2.75Å; A889-M891 PolarHBondContact O-N 3.48Å; A889-G892 PolarHBondContact O-N 2.89Å; A889-I893 WeakPolarHBondContact CA-O 3.31Å
890	S	81	Confident	74.9	Confident	99 Å²	99	103.5 Å²	103.5	69%	0.692	56%	0.558	S	S	*	*	H	α-helix	trans	-67	-22	176.3	77.1	0	0	0	0	113.8	K886 Q887 L888 G892	K886-S890 WeakPolarHBondContact O-CB 3.28Å; K886-S890 PolarHBondContact O-N 2.9Å; Q887-S890 WeakPolarHBondContact CA-OG 3.47Å; Q887-S890 PolarHBondContact O-N 2.89Å; Q887-S890 VanDerWaalsContact O-N 3.16Å; Q887-S890 PolarHBondContact O-OG 3.48Å; L888-S890 VanDerWaalsContact C-N 3.32Å; L888-S890 PolarHBondContact O-N 3.41Å; S890-G892 VanDerWaalsContact C-N 3.3Å
891	M	75.4	Confident	73.8	Confident	152 Å²	152	103 Å²	103	75%	0.749	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	3.6	173.1	-66.1	-177.4	70.4	0	0	112.9	Q887 L888 A889	Q887-M891 WeakPolarHBondContact O-CG 3.48Å; Q887-M891 PolarHBondContact O-N 3.12Å; Q887-M891 VanDerWaalsContact O-N 3.1Å; L888-M891 PolarHBondContact O-N 3.29Å; L888-M891 VanDerWaalsContact O-N 3.09Å; A889-M891 PolarHBondContact O-N 3.48Å
892	G	76.3	Confident	72.2	Confident	61 Å²	61	103.1 Å²	103.1	63%	0.629	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.4	13.2	175.7	0	0	0	0	0	115.2	L888 A889 S890	L888-G892 PolarHBondContact O-N 2.96Å; A889-G892 PolarHBondContact O-N 2.89Å; S890-G892 VanDerWaalsContact C-N 3.3Å
893	I	69.5	Low	70.4	Confident	67 Å²	67	103.8 Å²	103.8	34%	0.344	59%	0.592	S	S	.	*			trans	-95.8	111.7	175.5	-57.4	173.9	0	0	0	108	L888 A889 E897 I898	L888-I893 HydrophobicContact CD2-CD1 4.13Å; L888-I893 PolarHBondContact O-N 2.84Å; A889-I893 WeakPolarHBondContact CA-O 3.31Å; I893-E897 HydrophobicContact CG2-CB 4.39Å; I893-I898 HydrophobicContact CG2-CD1 4.47Å; I893-I898 HydrophobicContact CG2-CG1 3.99Å
894	D	70.5	Confident	68.2	Low	90 Å²	90	105.5 Å²	105.5	48%	0.481	61%	0.61	S	S	.	*			trans	-75.3	146.7	175.9	-159.1	-27.9	0	0	0	110.2	S896 E897	D894-S896 PolarHBondContact O-N 2.89Å; D894-S896 VanDerWaalsContact O-N 3.07Å; D894-E897 HydrophobicContact CB-CG 4.4Å; D894-E897 WeakPolarHBondContact O-CB 3.49Å; D894-E897 PolarHBondContact O-N 3Å
895	S	67.3	Low	65.9	Low	75 Å²	75	100.3 Å²	100.3	52%	0.524	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-50.2	-30	174	57.2	0	0	0	0	113.8	E897 I898	S895-E897 VanDerWaalsContact C-N 3.31Å; S895-E897 PolarHBondContact O-N 3.17Å; S895-I898 PolarHBondContact O-N 2.88Å
896	S	72.2	Confident	63.6	Low	99 Å²	99	100.7 Å²	100.7	69%	0.692	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-74.4	-15.7	175.5	55.9	0	0	0	0	114.8	D894	D894-S896 PolarHBondContact O-N 2.89Å; D894-S896 VanDerWaalsContact O-N 3.07Å
897	E	67.6	Low	61.3	Low	137 Å²	137	98.3 Å²	98.3	64%	0.64	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-89.5	-11.5	177	-60.4	-173.7	167.9	0	0	112.5	I893 D894 S895 A899	I893-E897 HydrophobicContact CG2-CB 4.39Å; D894-E897 HydrophobicContact CB-CG 4.4Å; D894-E897 WeakPolarHBondContact O-CB 3.49Å; D894-E897 PolarHBondContact O-N 3Å; S895-E897 VanDerWaalsContact C-N 3.31Å; S895-E897 PolarHBondContact O-N 3.17Å; E897-A899 PolarHBondContact O-N 2.94Å
898	I	70.1	Confident	58.8	Low	72 Å²	72	96.6 Å²	96.6	37%	0.369	66%	0.661	S	S	.	*	S	Bend	trans	-85.3	105.1	178.5	-54.8	175.4	0	0	0	108.1	M885 L888 I893 S895	M885-I898 HydrophobicContact CE-CD1 4.19Å; M885-I898 HydrophobicContact SD-CD1 3.98Å; L888-I898 HydrophobicContact CD1-CD1 4.28Å; I893-I898 HydrophobicContact CG2-CD1 4.47Å; I893-I898 HydrophobicContact CG2-CG1 3.99Å; S895-I898 PolarHBondContact O-N 2.88Å
899	A	67.8	Low	56.5	Low	77 Å²	77	101.4 Å²	101.4	64%	0.636	69%	0.687	S	S	*	*			trans	-69.4	134.8	173.8	0	0	0	0	0	110.7	E897 V901	E897-A899 PolarHBondContact O-N 2.94Å; A899-V901 WeakPolarHBondContact O-CG2 3.47Å; A899-V901 PolarHBondContact O-N 3.43Å
900	D	58	Low	54.4	Low	168 Å²	168	103 Å²	103	90%	0.898	70%	0.701	S	S	*	*			trans	-64.3	96.9	170.4	-83.1	-29.6	0	0	0	109.5
901	V	55	Low	52.1	Low	123 Å²	123	108 Å²	108	75%	0.745	71%	0.71	S	S	*	*			trans	-85.8	119.6	171.7	-167.6	0	0	0	0	107.3	A899 S903	A899-V901 WeakPolarHBondContact O-CG2 3.47Å; A899-V901 PolarHBondContact O-N 3.43Å; V901-S903 PolarHBondContact O-N 3.21Å; V901-S903 VanDerWaalsContact O-N 3.09Å
902	P	44.1	Very low	50.2	Low	104 Å²	104	112 Å²	112	68%	0.675	72%	0.716	S	S	*	*			trans	-58.4	121.1	173.9	-17.3	28.4	0	0	0	108.5	T904	P902-T904 PolarHBondContact O-N 2.75Å
903	S	43.2	Very low	48.2	Very low	120 Å²	120	115.8 Å²	115.8	84%	0.839	73%	0.727	S	S	*	*			trans	-63.7	99.8	175.4	-168	0	0	0	0	108.5	V901 G905	V901-S903 PolarHBondContact O-N 3.21Å; V901-S903 VanDerWaalsContact O-N 3.09Å; S903-G905 PolarHBondContact O-N 3.39Å
904	T	33.9	Very low	46.4	Very low	146 Å²	146	116.2 Å²	116.2	90%	0.896	75%	0.748	S	S	*	*			trans	-76.5	76.3	172.2	52.5	0	0	0	0	108.6	P902	P902-T904 PolarHBondContact O-N 2.75Å
905	G	32.7	Very low	44.6	Very low	63 Å²	63	116 Å²	116	65%	0.649	77%	0.767	S	S	*	*			trans	-125.5	93.4	170.5	0	0	0	0	0	110.1	S903	S903-G905 PolarHBondContact O-N 3.39Å
906	G	31.5	Very low	42.9	Very low	87 Å²	87	116.1 Å²	116.1	90%	0.897	78%	0.78	S	S	*	*	S	Bend	trans	78.8	119.6	158.1	0	0	0	0	0	117.9
907	G	31.1	Very low	40.9	Very low	82 Å²	82	116.7 Å²	116.7	85%	0.845	79%	0.791	S	S	*	*			trans	123.1	57.2	160.1	0	0	0	0	0	116.1	N909	G907-N909 PolarHBondContact O-N 2.83Å
908	G	29.3	Very low	39.2	Very low	81 Å²	81	113.9 Å²	113.9	84%	0.835	80%	0.799	S	S	*	*			trans	-77.7	99.4	168.3	0	0	0	0	0	111.7
909	N	31.1	Very low	37.3	Very low	165 Å²	165	114.7 Å²	114.7	88%	0.882	83%	0.825	S	S	*	*			trans	-163.5	104.3	143.8	-126.3	3.6	0	0	0	112.3	G907	G907-N909 PolarHBondContact O-N 2.83Å
910	A	35.3	Very low	35.6	Very low	96 Å²	96	114.6 Å²	114.6	79%	0.793	83%	0.831	S	S	*	*			trans	-178.6	115.4	136.9	0	0	0	0	0	113.1
911	K	33.1	Very low	34.2	Very low	202 Å²	202	112.1 Å²	112.1	88%	0.878	83%	0.827	S	S	*	*			trans	43	123.9	140.1	-80.4	176.4	172.4	172.8	0	120.3
912	R	34.1	Very low	33	Very low	236 Å²	236	111.8 Å²	111.8	89%	0.891	83%	0.831	S	S	*	*				-169.3	120	118.5	-99.6	163.8	-171.3	-154.7	3.6	109.4
913	V	34.4	Very low	32.4	Very low	141 Å²	141	110.9 Å²	110.9	86%	0.855	84%	0.84	S	S	*	*				54.1	104.2	95.6	-175.7	0	0	0	0	113.4
914	G	32.6	Very low	31.7	Very low	77 Å²	77	108.4 Å²	108.4	79%	0.794	83%	0.834	S	S	*	*				76.4	109.4	129.3	0	0	0	0	0	120
915	G	32	Very low	31.4	Very low	84 Å²	84	110.4 Å²	110.4	87%	0.866	84%	0.838	S	S	*	*				105.1	104.1	128.2	0	0	0	0	0	119
916	G	32	Very low	31.3	Very low	78 Å²	78	111.2 Å²	111.2	80%	0.804	85%	0.846	S	S	*	*				86.9	93.5	117.7	0	0	0	0	0	120.4
917	A	30	Very low	31.1	Very low	111 Å²	111	110.4 Å²	110.4	92%	0.917	84%	0.837	S	S	*	*				62.9	129.2	127.1	0	0	0	0	0	122.2
918	G	31.8	Very low	31.2	Very low	78 Å²	78	112.8 Å²	112.8	80%	0.804	84%	0.836	S	S	*	*			trans	151.4	105.6	141.9	0	0	0	0	0	116.7
919	G	31.1	Very low	31.2	Very low	90 Å²	90	114.7 Å²	114.7	93%	0.928	84%	0.836	S	S	*	*			trans	63.2	138.4	150.1	0	0	0	0	0	118.5
920	G	31.2	Very low	31.2	Very low	74 Å²	74	110.4 Å²	110.4	76%	0.763	83%	0.831	S	S	*	*			cis	154.3	108.1	15.8	0	0	0	0	0	108.3
921	S	29.7	Very low	30.9	Very low	116 Å²	116	115.3 Å²	115.3	81%	0.811	84%	0.837	S	S	*	*			trans	49.5	125.4	139.9	-125.9	0	0	0	0	123.9
922	S	29	Very low	30.5	Very low	117 Å²	117	113.3 Å²	113.3	82%	0.818	84%	0.835	S	S	*	*				102.3	133.9	117.7	73.7	0	0	0	0	121.5
923	G	31	Very low	30.1	Very low	85 Å²	85	107.9 Å²	107.9	88%	0.876	83%	0.834	S	S	*	*			trans	99.2	124	160.8	0	0	0	0	0	113.7
924	G	29.4	Very low	29.8	Very low	68 Å²	68	104.5 Å²	104.5	70%	0.701	83%	0.828	S	S	*	*			cis	144.2	123.8	10.2	0	0	0	0	0	109.5
925	L	27.4	Very low	29.5	Very low	188 Å²	188	106.4 Å²	106.4	98%	0.984	83%	0.829	S	S	*	*			trans	75.3	138.4	143.3	-63.3	162.5	0	0	0	122.4
926	G	29.4	Very low	29.4	Very low	79 Å²	79	108.3 Å²	108.3	81%	0.814	82%	0.823	S	S	*	*			trans	114.7	91.6	150.3	0	0	0	0	0	113.6
927	G	29.1	Very low	29.3	Very low	70 Å²	70	112.4 Å²	112.4	72%	0.722	82%	0.823	S	S	*	*				103	135.6	89.5	0	0	0	0	0	107.9
928	T	31.6	Very low	29.2	Very low	132 Å²	132	111.4 Å²	111.4	81%	0.81	81%	0.81	S	S	*	*			cis	-171.9	145.2	30.4	33.2	0	0	0	0	108.7
929	S	29.3	Very low	29.1	Very low	121 Å²	121	114.7 Å²	114.7	85%	0.846	81%	0.809	S	S	*	*			trans	47.5	138	142.3	61.4	0	0	0	0	120.4
930	G	30.9	Very low	28.9	Very low	75 Å²	75	117.8 Å²	117.8	77%	0.773	80%	0.803	S	S	*	*			cis	-168.6	-173	11.6	0	0	0	0	0	106.6
931	Q	30.1	Very low	28.9	Very low	199 Å²	199	119.7 Å²	119.7	93%	0.93	80%	0.804	S	S	*	*			cis	-177.2	150.1	-10.7	-154.1	177.7	4.6	0	0	103.5
932	L	24.4	Very low	28.8	Very low	160 Å²	160	117.8 Å²	117.8	84%	0.838	80%	0.803	S	S	*	*			trans	-86.3	154.5	-179.7	-77.5	143.8	0	0	0	112.6
933	S	26.6	Very low	28.9	Very low	123 Å²	123	118.1 Å²	118.1	86%	0.86	81%	0.805	S	S	*	*			trans	77.3	140.2	136.1	73	0	0	0	0	122.6
934	G	28.2	Very low	28.8	Very low	70 Å²	70	117.6 Å²	117.6	72%	0.722	80%	0.8	S	S	*	*			trans	176.2	91.5	155	0	0	0	0	0	107.6
935	S	26.1	Very low	28.8	Very low	117 Å²	117	123.9 Å²	123.9	82%	0.818	81%	0.811	S	S	*	*				65.5	126.6	79.5	-166.6	0	0	0	0	113.7
936	V	29.1	Very low	28.7	Very low	123 Å²	123	121.4 Å²	121.4	75%	0.745	80%	0.804	S	S	*	*			trans	-174.7	118.8	130.5	157.4	0	0	0	0	110.8
937	M	30.8	Very low	28.8	Very low	164 Å²	164	123.8 Å²	123.8	81%	0.808	81%	0.808	S	S	*	*			trans	58.9	121.7	141.7	-64.8	177.6	177.7	0	0	120.4
938	S	27.1	Very low	28.7	Very low	90 Å²	90	127.6 Å²	127.6	63%	0.629	81%	0.812	S	S	*	*			cis	87.7	119.1	47.5	76.2	0	0	0	0	115.3
939	N	29.5	Very low	28.5	Very low	148 Å²	148	126.7 Å²	126.7	79%	0.791	81%	0.806	S	S	*	*			trans	168.6	113.8	133.3	-83.6	-8.9	0	0	0	107.7
940	I	26.5	Very low	28.5	Very low	155 Å²	155	126.6 Å²	126.6	80%	0.795	81%	0.805	S	S	*	*				60.3	110.1	58.8	-60.9	-178.9	0	0	0	114.1
941	S	32	Very low	28.2	Very low	114 Å²	114	130.5 Å²	130.5	80%	0.797	81%	0.808	S	S	*	*				172.5	115.2	125	53.1	0	0	0	0	108.2
942	G	28.5	Very low	28.1	Very low	76 Å²	76	128.2 Å²	128.2	78%	0.784	80%	0.802	S	S	*	*				103	136.3	81.9	0	0	0	0	0	107.6
943	S	31.2	Very low	28.2	Very low	123 Å²	123	125 Å²	125	86%	0.86	79%	0.793	S	S	*	*			cis	-178.5	147.4	26.1	45.7	0	0	0	0	110
944	G	27.7	Very low	28.2	Very low	75 Å²	75	125.2 Å²	125.2	77%	0.773	79%	0.789	S	S	*	*			trans	73.2	136.3	146.8	0	0	0	0	0	118
945	E	29.9	Very low	28.2	Very low	200 Å²	200	131.5 Å²	131.5	94%	0.935	80%	0.796	S	S	*	*			cis	-150.4	151.7	19.3	-77.2	-179.2	144.4	0	0	111.5
946	T	24.9	Very low	28.4	Very low	135 Å²	135	135.4 Å²	135.4	83%	0.828	80%	0.799	S	S	*	*			trans	-87.6	143.1	174.4	46.7	0	0	0	0	111.9
947	S	31.9	Very low	28.6	Very low	129 Å²	129	137.7 Å²	137.7	90%	0.902	81%	0.807	S	S	*	*			trans	-147.6	151.2	140.1	54.1	0	0	0	0	111.3
948	N	27.8	Very low	28.8	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	81%	0.809	S	S	*	*			trans	-109.2	148.3	-147.6	-112.7	-16.2	0	0	0	112
949	V	26.3	Very low	29.7	Very low	113 Å²	113	143.5 Å²	143.5	69%	0.685	82%	0.819	S	S	*	*			trans	63.5	115.8	135.4	-174.5	0	0	0	0	119.7
950	S	28.4	Very low	31.1	Very low	119 Å²	119	141.3 Å²	141.3	83%	0.832	80%	0.803	S	S	*	*				-168.9	133.3	109	-84.8	0	0	0	0	113.5
951	L	25.5	Very low	32.8	Very low	158 Å²	158	141.3 Å²	141.3	83%	0.827	80%	0.804	S	S	*	*			trans	-79.8	137.7	169.5	-73.2	123.2	0	0	0	110.1
952	N	28.4	Very low	34.8	Very low	150 Å²	150	139 Å²	139	80%	0.802	78%	0.782	S	S	*	*				-174.2	116.5	122.3	-103.1	-13.3	0	0	0	114.2
953	S	26.1	Very low	37.1	Very low	93 Å²	93	137.2 Å²	137.2	65%	0.65	76%	0.757	S	S	*	*				59.7	131.5	128.9	73.8	0	0	0	0	122.8
954	T	26.1	Very low	39.4	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	76%	0.759	S	S	*	*			trans	97.9	111.2	149.9	64.1	0	0	0	0	120.2
955	K	28	Very low	42.2	Very low	201 Å²	201	139.7 Å²	139.7	87%	0.874	73%	0.731	S	S	*	*			trans	54.1	111.7	143.6	-69.1	-178.8	175.5	179.2	0	119.3
956	K	30.3	Very low	44.6	Very low	199 Å²	199	136.8 Å²	136.8	87%	0.865	72%	0.722	S	S	*	*				179.2	142	117.9	-101.5	170.3	178	179.3	0	109.3	E958	K956-E958 PolarHBondContact O-N 3.44Å
957	D	33.2	Very low	47.3	Very low	171 Å²	171	135.3 Å²	135.3	91%	0.914	72%	0.715	S	S	*	*			trans	-57.5	99.1	163.6	-72.8	-61.3	0	0	0	108.7	K959	D957-K959 PolarHBondContact O-N 2.93Å
958	E	36.5	Very low	49.9	Very low	182 Å²	182	129.3 Å²	129.3	85%	0.85	67%	0.673	S	S	*	*			trans	-70.1	112.1	168.7	-77.4	-175.4	163.1	0	0	107.9	K956 K960	K956-E958 PolarHBondContact O-N 3.44Å; E958-K960 PolarHBondContact O-N 2.86Å
959	K	45.9	Very low	52.6	Low	194 Å²	194	124.1 Å²	124.1	84%	0.843	65%	0.648	S	S	*	*			trans	-55.7	107.5	160.4	-76.7	-179.8	174.4	-178.9	0	106.5	D957 D961	D957-K959 PolarHBondContact O-N 2.93Å; K959-D961 PolarHBondContact O-N 3.06Å
960	K	58.8	Low	55.5	Low	103 Å²	103	120.3 Å²	120.3	45%	0.448	62%	0.624	S	S	.	*			trans	-54.2	115.6	165	-89.3	-173	170.4	-170.1	0	106.3	E958 E1110 R1163	E958-K960 PolarHBondContact O-N 2.86Å; K960-E1110 IonicContact NZ-OE2 3.02Å; K960-E1110 PolarHBondContact NZ-OE2 3.42Å; K960-R1163 PolarHBondContact O-NH2 3.31Å
961	D	61.8	Low	58.2	Low	155 Å²	155	118.9 Å²	118.9	83%	0.829	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-58.5	138	176.4	-78.4	-37.1	0	0	0	110.2	K959	K959-D961 PolarHBondContact O-N 3.06Å
962	D	73.3	Confident	61.1	Low	64 Å²	64	116 Å²	116	34%	0.342	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-69.7	143.7	177.3	-72.3	-41.7	0	0	0	110.6	K964 R1163 Q1167	D962-K964 PolarHBondContact O-N 3.36Å; D962-R1163 IonicContact OD1-CZ 3.83Å; D962-R1163 IonicContact OD1-NE 3.27Å; D962-R1163 PolarHBondContact OD1-NE 3.4Å; D962-R1163 VanDerWaalsContact OD1-NE 3.08Å; D962-R1163 IonicContact OD1-NH2 2.89Å; D962-R1163 PolarHBondContact OD1-NH2 3.41Å; D962-Q1167 PolarHBondContact OD1-NE2 2.9Å
963	P	76.9	Confident	64	Low	39 Å²	39	109.1 Å²	109.1	25%	0.253	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-63.5	130.4	-177.3	25.3	-32.8	0	0	0	111.1	F965 L1100 I1103	P963-F965 HydrophobicContact CB-CE2 4.28Å; P963-F965 HydrophobicContact CB-CZ 4.47Å; P963-F965 HydrophobicContact CG-CE2 4.47Å; P963-L1100 HydrophobicContact CG-CD1 3.58Å; P963-I1103 HydrophobicContact CB-CD1 3.81Å; P963-I1103 HydrophobicContact CG-CD1 4.48Å
964	K	80.2	Confident	67	Low	205 Å²	205	107.1 Å²	107.1	89%	0.891	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-102.1	134.6	177.6	-65.8	-175.9	-179.2	179.7	0	110.1	D962	D962-K964 PolarHBondContact O-N 3.36Å
965	F	85.3	Confident	70	Confident	45 Å²	45	105.7 Å²	105.7	20%	0.197	53%	0.53	C	S	.	.			trans	-112.9	143.4	175.2	-62.3	-83.6	0	0	0	109.8	P963 Q1096 E1099 L1100 L1171	P963-F965 HydrophobicContact CB-CE2 4.28Å; P963-F965 HydrophobicContact CB-CZ 4.47Å; P963-F965 HydrophobicContact CG-CE2 4.47Å; F965-Q1096 HydrophobicContact CB-CG 4.44Å; F965-Q1096 HydrophobicContact CD1-CB 3.98Å; F965-Q1096 HydrophobicContact CD1-CG 3.98Å; F965-Q1096 HydrophobicContact CE1-CB 4.36Å; F965-Q1096 HydrophobicContact CG-CB 4.42Å; F965-Q1096 HydrophobicContact CG-CG 4.44Å; F965-E1099 HydrophobicContact CE1-CB 4Å; F965-E1099 HydrophobicContact CE1-CG 4.01Å; F965-L1100 HydrophobicContact CE2-CB 4.17Å; F965-L1100 HydrophobicContact CE2-CD1 4.14Å; F965-L1100 HydrophobicContact CZ-CB 3.71Å; F965-L1100 HydrophobicContact CZ-CD1 4.2Å; F965-L1100 HydrophobicContact CZ-CG 4.48Å; F965-L1171 HydrophobicContact CB-CD1 4.28Å; F965-L1171 HydrophobicContact CD2-CD1 3.62Å; F965-L1171 HydrophobicContact CD2-CD2 4.36Å; F965-L1171 HydrophobicContact CE2-CD1 4.21Å; F965-L1171 HydrophobicContact CE2-CD2 4.13Å; F965-L1171 HydrophobicContact CG-CD1 4.03Å
966	D	80.3	Confident	73.1	Confident	140 Å²	140	98.6 Å²	98.6	75%	0.749	50%	0.501	S	S	*	.			trans	-68	139.2	177.3	-68.8	-36.1	0	0	0	110.9	Q1096	D966-Q1096 PolarHBondContact O-NE2 3.01Å
967	P	81.5	Confident	76	Confident	104 Å²	104	97.3 Å²	97.3	68%	0.675	50%	0.496	S	S	*	.			trans	-67.6	145	179.1	27	-33.5	0	0	0	112	S969	P967-S969 PolarHBondContact O-N 3.15Å
968	I	87.4	Confident	78.8	Confident	3 Å²	3	92.8 Å²	92.8	2%	0.015	47%	0.47	C	S	.	.			trans	-90.7	97.9	-177.1	-53.9	173.1	0	0	0	109.7	L973 M1089 V1092 Q1093 D1178	I968-L973 HydrophobicContact CG2-CD1 3.95Å; I968-L973 HydrophobicContact CG2-CD2 3.85Å; I968-L973 HydrophobicContact CG2-CG 3.96Å; I968-M1089 HydrophobicContact CD1-CG 4.3Å; I968-M1089 HydrophobicContact CG2-CG 4.13Å; I968-V1092 HydrophobicContact CD1-CB 4.08Å; I968-V1092 HydrophobicContact CD1-CG1 3.69Å; I968-V1092 HydrophobicContact CG1-CG1 3.94Å; I968-Q1093 HydrophobicContact CD1-CG 3.58Å; I968-D1178 HydrophobicContact CB-CB 4.25Å
969	S	85.1	Confident	81.6	Confident	40 Å²	40	84.7 Å²	84.7	28%	0.28	43%	0.432	S	S	.	.			trans	-85.6	149.9	179.4	74.7	0	0	0	0	113.4	P967 T971 L972 L973	P967-S969 PolarHBondContact O-N 3.15Å; S969-T971 PolarHBondContact O-N 2.9Å; S969-T971 PolarHBondContact OG-OG1 3.21Å; S969-L972 WeakPolarHBondContact O-CB 3.36Å; S969-L972 PolarHBondContact O-N 2.91Å; S969-L972 VanDerWaalsContact O-N 3.15Å; S969-L972 PolarHBondContact OG-N 3.19Å; S969-L973 PolarHBondContact O-N 3.45Å
970	I	85.8	Confident	83.8	Confident	33 Å²	33	79.6 Å²	79.6	17%	0.169	41%	0.411	C	S	.	.	H	α-helix	trans	-57.4	-36.7	173.3	-166.4	169.5	0	0	0	112.1	L972 L973 Q974 L1085 I1182 I1186	I970-L972 VanDerWaalsContact C-N 3.32Å; I970-L972 PolarHBondContact O-N 3.4Å; I970-L973 PolarHBondContact O-N 3.5Å; I970-Q974 HydrophobicContact CG1-CG 4.36Å; I970-Q974 VanDerWaalsContact O-CG 3.24Å; I970-Q974 WeakPolarHBondContact O-CG 3.44Å; I970-Q974 PolarHBondContact O-N 3.11Å; I970-L1085 HydrophobicContact CD1-CD1 4.42Å; I970-L1085 HydrophobicContact CG1-CD1 4.32Å; I970-I1182 HydrophobicContact CB-CG1 4.48Å; I970-I1186 HydrophobicContact CD1-CG1 4.24Å
971	T	84.9	Confident	85.5	Confident	90 Å²	90	82.1 Å²	82.1	55%	0.552	42%	0.422	S	S	*	.	H	α-helix	trans	-63.3	-37.9	179	50.3	0	0	0	0	112.1	S969	S969-T971 PolarHBondContact O-N 2.9Å; S969-T971 PolarHBondContact OG-OG1 3.21Å
972	L	87.2	Confident	87.1	Confident	98 Å²	98	76.3 Å²	76.3	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-66.5	-47.7	175.9	-177.1	66.1	0	0	0	110.4	S969 I970 Q974 T975	S969-L972 WeakPolarHBondContact O-CB 3.36Å; S969-L972 PolarHBondContact O-N 2.91Å; S969-L972 VanDerWaalsContact O-N 3.15Å; S969-L972 PolarHBondContact OG-N 3.19Å; I970-L972 VanDerWaalsContact C-N 3.32Å; I970-L972 PolarHBondContact O-N 3.4Å; L972-Q974 VanDerWaalsContact C-N 3.28Å; L972-Q974 PolarHBondContact O-N 3Å; L972-T975 WeakPolarHBondContact O-CB 2.87Å; L972-T975 PolarHBondContact O-N 2.64Å; L972-T975 PolarHBondContact O-OG1 2.94Å
973	L	88.6	Confident	88.1	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-33.2	-179.3	-61.7	176.8	0	0	0	112.8	I968 S969 I970 T975 D976 L1085 I1088 M1089 V1092 I1182	I968-L973 HydrophobicContact CG2-CD1 3.95Å; I968-L973 HydrophobicContact CG2-CD2 3.85Å; I968-L973 HydrophobicContact CG2-CG 3.96Å; S969-L973 PolarHBondContact O-N 3.45Å; I970-L973 PolarHBondContact O-N 3.5Å; L973-T975 PolarHBondContact O-N 3.39Å; L973-D976 WeakPolarHBondContact O-CB 3.42Å; L973-D976 PolarHBondContact O-N 3.3Å; L973-D976 VanDerWaalsContact O-N 3.07Å; L973-L1085 HydrophobicContact CB-CD2 3.49Å; L973-L1085 VanDerWaalsContact CB-CD2 3.49Å; L973-L1085 HydrophobicContact CD1-CD2 4.42Å; L973-I1088 HydrophobicContact CD2-CB 4.3Å; L973-I1088 HydrophobicContact CD2-CG2 3.69Å; L973-M1089 HydrophobicContact CD1-CB 3.87Å; L973-M1089 HydrophobicContact CD1-CG 4.47Å; L973-M1089 HydrophobicContact CD2-CB 4.49Å; L973-V1092 HydrophobicContact CD2-CG2 4.41Å; L973-I1182 HydrophobicContact CD1-CD1 3.29Å; L973-I1182 HydrophobicContact CD1-CG1 4.1Å
974	Q	89.5	Confident	88.9	Confident	51 Å²	51	81 Å²	81	24%	0.238	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17	176	-72.3	178.8	-12.3	0	0	113.7	I970 L972 Y979 Q980 L1085	I970-Q974 HydrophobicContact CG1-CG 4.36Å; I970-Q974 VanDerWaalsContact O-CG 3.24Å; I970-Q974 WeakPolarHBondContact O-CG 3.44Å; I970-Q974 PolarHBondContact O-N 3.11Å; L972-Q974 VanDerWaalsContact C-N 3.28Å; L972-Q974 PolarHBondContact O-N 3Å; Q974-Y979 HydrophobicContact CB-CD1 3.96Å; Q974-Y979 HydrophobicContact CB-CE1 3.87Å; Q974-Y979 HydrophobicContact CG-CD1 4.05Å; Q974-Y979 HydrophobicContact CG-CE1 3.56Å; Q974-Y979 WeakPolarHBondContact O-CD1 3.38Å; Q974-Q980 PolarHBondContact O-NE2 3.4Å; Q974-L1085 HydrophobicContact CG-CD2 4.42Å
975	T	90.1	Very high	89.5	Confident	99 Å²	99	77.2 Å²	77.2	61%	0.607	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.7	172.6	69.4	0	0	0	0	113.1	L972 L973	L972-T975 WeakPolarHBondContact O-CB 2.87Å; L972-T975 PolarHBondContact O-N 2.64Å; L972-T975 PolarHBondContact O-OG1 2.94Å; L973-T975 PolarHBondContact O-N 3.39Å
976	D	92.7	Very high	90	Very high	51 Å²	51	75.3 Å²	75.3	27%	0.273	38%	0.381	S	S	.	.	S	Bend	trans	-61.3	140.7	-179.4	-176.4	-97.6	0	0	0	112.1	L973 M978 Y979 Q980 I1088	L973-D976 WeakPolarHBondContact O-CB 3.42Å; L973-D976 PolarHBondContact O-N 3.3Å; L973-D976 VanDerWaalsContact O-N 3.07Å; D976-M978 PolarHBondContact O-N 3.06Å; D976-M978 WeakPolarHBondContact OD1-CA 3.5Å; D976-M978 WeakPolarHBondContact OD1-CB 3.5Å; D976-M978 PolarHBondContact OD1-N 3.42Å; D976-Y979 PolarHBondContact O-N 2.93Å; D976-Q980 WeakPolarHBondContact O-CG 3.37Å; D976-Q980 PolarHBondContact O-N 2.99Å; D976-I1088 HydrophobicContact CB-CD1 3.81Å; D976-I1088 HydrophobicContact CB-CG2 4.17Å; D976-I1088 WeakPolarHBondContact OD1-CD1 3.5Å
977	K	91.8	Very high	90.7	Very high	173 Å²	173	71.6 Å²	71.6	75%	0.752	37%	0.37	S	S	*	.	H	α-helix	trans	-62.5	-32.2	-176	-69.8	179.9	-178.2	172.7	0	112.3	K981	K977-K981 WeakPolarHBondContact O-CG 3.45Å; K977-K981 PolarHBondContact O-N 3.47Å; K977-K981 VanDerWaalsContact O-N 3.17Å
978	M	91.7	Very high	91.3	Very high	75 Å²	75	73.1 Å²	73.1	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-70.9	-43.6	177.3	-59.2	-164.6	-74	0	0	110.7	D976 Q980 K981 L982 L1084 I1088	D976-M978 PolarHBondContact O-N 3.06Å; D976-M978 WeakPolarHBondContact OD1-CA 3.5Å; D976-M978 WeakPolarHBondContact OD1-CB 3.5Å; D976-M978 PolarHBondContact OD1-N 3.42Å; M978-Q980 PolarHBondContact O-N 3.06Å; M978-K981 PolarHBondContact O-N 3.46Å; M978-L982 PolarHBondContact O-N 3.18Å; M978-L1084 HydrophobicContact CB-CD1 4.25Å; M978-L1084 HydrophobicContact CB-CD2 4.27Å; M978-L1084 HydrophobicContact CE-CD1 4.45Å; M978-I1088 HydrophobicContact CE-CG1 3.94Å
979	Y	93.7	Very high	91.7	Very high	12 Å²	12	76.3 Å²	76.3	5%	0.047	38%	0.381	C	S	.	.	H	α-helix	trans	-60.8	-47.2	176.8	-172.4	-95.8	0	0	0	111.5	Q974 D976 K981 L982 I983 R1081 L1084 L1085	Q974-Y979 HydrophobicContact CB-CD1 3.96Å; Q974-Y979 HydrophobicContact CB-CE1 3.87Å; Q974-Y979 HydrophobicContact CG-CD1 4.05Å; Q974-Y979 HydrophobicContact CG-CE1 3.56Å; Q974-Y979 WeakPolarHBondContact O-CD1 3.38Å; D976-Y979 PolarHBondContact O-N 2.93Å; Y979-K981 VanDerWaalsContact C-N 3.28Å; Y979-K981 PolarHBondContact O-N 3.5Å; Y979-L982 WeakPolarHBondContact O-CB 3.36Å; Y979-L982 PolarHBondContact O-N 2.95Å; Y979-I983 HydrophobicContact CD1-CG1 3.99Å; Y979-I983 HydrophobicContact CE1-CD1 3.91Å; Y979-I983 HydrophobicContact CE1-CG1 3.62Å; Y979-I983 HydrophobicContact CE2-CD1 4.48Å; Y979-I983 WeakPolarHBondContact O-CG1 3.34Å; Y979-I983 PolarHBondContact O-N 3.26Å; Y979-R1081 HydrophobicContact CE2-CB 4.06Å; Y979-R1081 HydrophobicContact CE2-CG 3.95Å; Y979-L1084 HydrophobicContact CD2-CD2 4.5Å; Y979-L1085 HydrophobicContact CD2-CD1 4.22Å; Y979-L1085 HydrophobicContact CD2-CD2 3.73Å; Y979-L1085 HydrophobicContact CD2-CG 3.76Å; Y979-L1085 HydrophobicContact CE2-CD1 3.61Å; Y979-L1085 HydrophobicContact CE2-CD2 3.94Å; Y979-L1085 HydrophobicContact CE2-CG 3.67Å; Y979-L1085 HydrophobicContact CG-CD2 4.33Å
980	Q	94.1	Very high	92.1	Very high	88 Å²	88	76.4 Å²	76.4	41%	0.411	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-35.3	176.8	-69.4	-66.5	-25.7	0	0	113.2	Q974 D976 M978 K984	Q974-Q980 PolarHBondContact O-NE2 3.4Å; D976-Q980 WeakPolarHBondContact O-CG 3.37Å; D976-Q980 PolarHBondContact O-N 2.99Å; M978-Q980 PolarHBondContact O-N 3.06Å; Q980-K984 WeakPolarHBondContact O-CG 3.4Å; Q980-K984 PolarHBondContact O-N 3.1Å
981	K	94.1	Very high	92.6	Very high	155 Å²	155	79.2 Å²	79.2	67%	0.674	39%	0.39	S	S	*	.	H	α-helix	trans	-68.7	-40.6	173.6	-78.7	177.5	-179.4	-179.5	0	112.1	K977 M978 Y979 K984 K985	K977-K981 WeakPolarHBondContact O-CG 3.45Å; K977-K981 PolarHBondContact O-N 3.47Å; K977-K981 VanDerWaalsContact O-N 3.17Å; M978-K981 PolarHBondContact O-N 3.46Å; Y979-K981 VanDerWaalsContact C-N 3.28Å; Y979-K981 PolarHBondContact O-N 3.5Å; K981-K984 PolarHBondContact O-N 2.96Å; K981-K985 PolarHBondContact O-N 3.37Å
982	L	94.3	Very high	93	Very high	33 Å²	33	79.9 Å²	79.9	17%	0.173	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-47.7	177.3	179.8	63.8	0	0	0	110.9	M978 Y979 K984 K985 Q986 R1081 L1084	M978-L982 PolarHBondContact O-N 3.18Å; Y979-L982 WeakPolarHBondContact O-CB 3.36Å; Y979-L982 PolarHBondContact O-N 2.95Å; L982-K984 VanDerWaalsContact C-N 3.33Å; L982-K984 PolarHBondContact O-N 3.09Å; L982-K985 WeakPolarHBondContact O-CB 3.48Å; L982-K985 PolarHBondContact O-N 3.34Å; L982-K985 VanDerWaalsContact O-N 3.12Å; L982-Q986 HydrophobicContact CD1-CG 4.32Å; L982-Q986 HydrophobicContact CG-CG 4.44Å; L982-Q986 WeakPolarHBondContact O-CG 3.45Å; L982-Q986 PolarHBondContact O-N 2.91Å; L982-R1081 HydrophobicContact CD2-CG 4.18Å; L982-L1084 HydrophobicContact CB-CD2 3.87Å; L982-L1084 HydrophobicContact CD2-CB 4.18Å; L982-L1084 HydrophobicContact CD2-CD2 3.65Å; L982-L1084 HydrophobicContact CG-CD2 4.38Å
983	I	94.1	Very high	93.4	Very high	48 Å²	48	76.5 Å²	76.5	25%	0.246	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-43.7	177.7	-62.3	-59.3	0	0	0	111.7	Y979 K985 Q986 A987 R1081	Y979-I983 HydrophobicContact CD1-CG1 3.99Å; Y979-I983 HydrophobicContact CE1-CD1 3.91Å; Y979-I983 HydrophobicContact CE1-CG1 3.62Å; Y979-I983 HydrophobicContact CE2-CD1 4.48Å; Y979-I983 WeakPolarHBondContact O-CG1 3.34Å; Y979-I983 PolarHBondContact O-N 3.26Å; I983-K985 VanDerWaalsContact C-N 3.34Å; I983-K985 PolarHBondContact O-N 3.37Å; I983-Q986 PolarHBondContact O-N 3.46Å; I983-A987 PolarHBondContact O-N 3.03Å; I983-R1081 HydrophobicContact CD1-CG 4.12Å; I983-R1081 VanDerWaalsContact CD1-CZ 3.41Å
984	K	93.9	Very high	93.6	Very high	153 Å²	153	81.1 Å²	81.1	67%	0.665	39%	0.393	S	S	*	.	H	α-helix	trans	-63.3	-37.7	176.2	-73.4	177.5	-178	-178.9	0	112.9	Q980 K981 L982 K988	Q980-K984 WeakPolarHBondContact O-CG 3.4Å; Q980-K984 PolarHBondContact O-N 3.1Å; K981-K984 PolarHBondContact O-N 2.96Å; L982-K984 VanDerWaalsContact C-N 3.33Å; L982-K984 PolarHBondContact O-N 3.09Å; K984-K988 PolarHBondContact O-N 3.39Å
985	K	94.2	Very high	93.8	Very high	126 Å²	126	84 Å²	84	55%	0.548	41%	0.405	S	S	.	.	H	α-helix	trans	-65	-47.4	175.7	-179.2	-176.4	166.7	-171.8	0	110.9	K981 L982 I983 A987 K988 E989	K981-K985 PolarHBondContact O-N 3.37Å; L982-K985 WeakPolarHBondContact O-CB 3.48Å; L982-K985 PolarHBondContact O-N 3.34Å; L982-K985 VanDerWaalsContact O-N 3.12Å; I983-K985 VanDerWaalsContact C-N 3.34Å; I983-K985 PolarHBondContact O-N 3.37Å; K985-A987 PolarHBondContact O-N 3Å; K985-K988 WeakPolarHBondContact O-CB 3.49Å; K985-K988 PolarHBondContact O-N 2.92Å; K985-K988 VanDerWaalsContact O-N 3.13Å; K985-E989 WeakPolarHBondContact CE-OE1 3.23Å; K985-E989 IonicContact NZ-OE1 3.43Å; K985-E989 PolarHBondContact O-N 3.32Å
986	Q	95.6	Very high	94	Very high	5 Å²	5	86.8 Å²	86.8	2%	0.023	40%	0.404	C	S	.	.	H	α-helix	trans	-60.6	-42.1	178.7	-71.3	178.1	-14.1	0	0	112.2	L982 I983 K988 E989 L990 F1077 R1081	L982-Q986 HydrophobicContact CD1-CG 4.32Å; L982-Q986 HydrophobicContact CG-CG 4.44Å; L982-Q986 WeakPolarHBondContact O-CG 3.45Å; L982-Q986 PolarHBondContact O-N 2.91Å; I983-Q986 PolarHBondContact O-N 3.46Å; Q986-K988 VanDerWaalsContact C-N 3.3Å; Q986-K988 PolarHBondContact O-N 3.29Å; Q986-E989 PolarHBondContact O-N 3.39Å; Q986-L990 PolarHBondContact O-N 3.43Å; Q986-F1077 HydrophobicContact CB-CD1 4.18Å; Q986-F1077 HydrophobicContact CB-CD2 3.71Å; Q986-F1077 HydrophobicContact CB-CE1 4.11Å; Q986-F1077 HydrophobicContact CB-CE2 3.65Å; Q986-F1077 HydrophobicContact CB-CG 3.98Å; Q986-F1077 HydrophobicContact CB-CZ 3.85Å; Q986-F1077 HydrophobicContact CG-CB 4.2Å; Q986-F1077 HydrophobicContact CG-CD1 3.6Å; Q986-F1077 HydrophobicContact CG-CD2 3.96Å; Q986-F1077 HydrophobicContact CG-CE1 3.83Å; Q986-F1077 HydrophobicContact CG-CE2 4.18Å; Q986-F1077 HydrophobicContact CG-CG 3.65Å; Q986-F1077 HydrophobicContact CG-CZ 4.11Å; Q986-F1077 PolarHBondContact NE2-O 3.13Å; Q986-F1077 VanDerWaalsContact NE2-O 3.1Å; Q986-F1077 WeakPolarHBondContact O-CE2 3.27Å; Q986-F1077 WeakPolarHBondContact O-CZ 3.47Å; Q986-R1081 VanDerWaalsContact OE1-CZ 3.29Å
987	A	94.1	Very high	94	Very high	62 Å²	62	85.1 Å²	85.1	51%	0.512	40%	0.395	S	S	.	.	H	α-helix	trans	-59.4	-40.3	174.7	0	0	0	0	0	112.3	I983 K985 E991	I983-A987 PolarHBondContact O-N 3.03Å; K985-A987 PolarHBondContact O-N 3Å; A987-E991 PolarHBondContact O-N 3.42Å; A987-E991 VanDerWaalsContact O-N 3.08Å
988	K	94.3	Very high	94.1	Very high	137 Å²	137	83.1 Å²	83.1	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-69.7	-38.5	178	-170	176.7	-178.2	179.3	0	112.6	K984 K985 Q986 E991 I992	K984-K988 PolarHBondContact O-N 3.39Å; K985-K988 WeakPolarHBondContact O-CB 3.49Å; K985-K988 PolarHBondContact O-N 2.92Å; K985-K988 VanDerWaalsContact O-N 3.13Å; Q986-K988 VanDerWaalsContact C-N 3.3Å; Q986-K988 PolarHBondContact O-N 3.29Å; K988-E991 PolarHBondContact O-N 3.29Å; K988-I992 HydrophobicContact CG-CD1 4.17Å; K988-I992 WeakPolarHBondContact O-CD1 3.32Å; K988-I992 VanDerWaalsContact O-CG1 3.24Å; K988-I992 WeakPolarHBondContact O-CG1 3.4Å; K988-I992 PolarHBondContact O-N 2.96Å
989	E	95.1	Very high	94.1	Very high	69 Å²	69	86.9 Å²	86.9	32%	0.322	40%	0.403	S	S	.	.	H	α-helix	trans	-64.3	-42.6	176.2	-75.9	175.7	-176.6	0	0	111.6	K985 Q986 I992 L993 F1077	K985-E989 WeakPolarHBondContact CE-OE1 3.23Å; K985-E989 IonicContact NZ-OE1 3.43Å; K985-E989 PolarHBondContact O-N 3.32Å; Q986-E989 PolarHBondContact O-N 3.39Å; E989-I992 PolarHBondContact O-N 3.49Å; E989-L993 PolarHBondContact O-N 3.25Å; E989-F1077 HydrophobicContact CB-CZ 3.96Å; E989-F1077 WeakPolarHBondContact OE2-CE1 3.33Å
990	L	94.6	Very high	94	Very high	43 Å²	43	89.8 Å²	89.8	23%	0.225	42%	0.419	C	S	.	.	H	α-helix	trans	-63.4	-42.4	175.2	-172.8	64.3	0	0	0	112.1	Q986 I992 L993 Q994 V1070 L1073 V1074 F1077	Q986-L990 PolarHBondContact O-N 3.43Å; L990-I992 VanDerWaalsContact C-N 3.33Å; L990-I992 PolarHBondContact O-N 2.96Å; L990-L993 PolarHBondContact O-N 3.01Å; L990-Q994 WeakPolarHBondContact O-CG 3.47Å; L990-Q994 PolarHBondContact O-N 3.19Å; L990-V1070 HydrophobicContact CD1-CG1 3.93Å; L990-V1070 HydrophobicContact CD1-CG2 4.41Å; L990-L1073 HydrophobicContact CD1-CD2 4.49Å; L990-V1074 HydrophobicContact CD1-CG2 4.34Å; L990-F1077 HydrophobicContact CB-CE2 4.41Å
991	E	95.1	Very high	93.9	Very high	92 Å²	92	86 Å²	86	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-40.4	176.4	-168.5	-165.2	156.9	0	0	112	A987 K988 Q994 K995	A987-E991 PolarHBondContact O-N 3.42Å; A987-E991 VanDerWaalsContact O-N 3.08Å; K988-E991 PolarHBondContact O-N 3.29Å; E991-Q994 PolarHBondContact O-N 3.38Å; E991-K995 HydrophobicContact CG-CD 4.47Å; E991-K995 WeakPolarHBondContact O-CB 3.49Å; E991-K995 WeakPolarHBondContact O-CG 3.45Å; E991-K995 PolarHBondContact O-N 3.05Å; E991-K995 WeakPolarHBondContact OE1-CE 3.18Å; E991-K995 IonicContact OE1-NZ 2.99Å; E991-K995 PolarHBondContact OE1-NZ 3.32Å
992	I	94.3	Very high	93.8	Very high	103 Å²	103	81.7 Å²	81.7	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-64.9	-43.7	177.3	-70.2	164.8	0	0	0	110.7	K988 E989 L990 K995 R996	K988-I992 HydrophobicContact CG-CD1 4.17Å; K988-I992 WeakPolarHBondContact O-CD1 3.32Å; K988-I992 VanDerWaalsContact O-CG1 3.24Å; K988-I992 WeakPolarHBondContact O-CG1 3.4Å; K988-I992 PolarHBondContact O-N 2.96Å; E989-I992 PolarHBondContact O-N 3.49Å; L990-I992 VanDerWaalsContact C-N 3.33Å; L990-I992 PolarHBondContact O-N 2.96Å; I992-K995 PolarHBondContact O-N 3.03Å; I992-R996 PolarHBondContact O-N 2.73Å; I992-R996 VanDerWaalsContact O-N 3.11Å
993	L	94.7	Very high	93.6	Very high	28 Å²	28	83 Å²	83	15%	0.147	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-49	177.1	-177.8	62.5	0	0	0	110.7	E989 L990 K995 R996 Q997 E1069 V1070 L1073	E989-L993 PolarHBondContact O-N 3.25Å; L990-L993 PolarHBondContact O-N 3.01Å; L993-K995 VanDerWaalsContact C-N 3.34Å; L993-K995 PolarHBondContact O-N 3.09Å; L993-R996 WeakPolarHBondContact O-CB 3.36Å; L993-R996 PolarHBondContact O-N 3.03Å; L993-R996 VanDerWaalsContact O-N 3.09Å; L993-Q997 HydrophobicContact CD1-CG 4.39Å; L993-Q997 HydrophobicContact CG-CG 4.44Å; L993-Q997 WeakPolarHBondContact O-CG 3.18Å; L993-Q997 PolarHBondContact O-N 3.29Å; L993-E1069 HydrophobicContact CD2-CB 4.32Å; L993-V1070 HydrophobicContact CD2-CG2 3.86Å; L993-L1073 HydrophobicContact CB-CD2 4.36Å; L993-L1073 HydrophobicContact CD2-CB 4.44Å; L993-L1073 HydrophobicContact CD2-CD2 3.72Å
994	Q	93.4	Very high	93.5	Very high	100 Å²	100	82.7 Å²	82.7	47%	0.467	40%	0.399	S	S	.	.	H	α-helix	trans	-59.5	-42	178.8	-72.6	176	-18.3	0	0	112.4	L990 E991 R996 Q997 E998	L990-Q994 WeakPolarHBondContact O-CG 3.47Å; L990-Q994 PolarHBondContact O-N 3.19Å; E991-Q994 PolarHBondContact O-N 3.38Å; Q994-R996 VanDerWaalsContact C-N 3.31Å; Q994-R996 PolarHBondContact O-N 3.34Å; Q994-Q997 PolarHBondContact O-N 3.47Å; Q994-E998 PolarHBondContact O-N 2.91Å
995	K	93.5	Very high	93.3	Very high	111 Å²	111	78.8 Å²	78.8	48%	0.483	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-34.4	175.2	-81.6	175.3	171.1	166.2	0	113.3	E991 I992 L993 K999	E991-K995 HydrophobicContact CG-CD 4.47Å; E991-K995 WeakPolarHBondContact O-CB 3.49Å; E991-K995 WeakPolarHBondContact O-CG 3.45Å; E991-K995 PolarHBondContact O-N 3.05Å; E991-K995 WeakPolarHBondContact OE1-CE 3.18Å; E991-K995 IonicContact OE1-NZ 2.99Å; E991-K995 PolarHBondContact OE1-NZ 3.32Å; I992-K995 PolarHBondContact O-N 3.03Å; L993-K995 VanDerWaalsContact C-N 3.34Å; L993-K995 PolarHBondContact O-N 3.09Å; K995-K999 WeakPolarHBondContact O-CG 3.31Å; K995-K999 PolarHBondContact O-N 2.95Å
996	R	94.3	Very high	93.1	Very high	158 Å²	158	81 Å²	81	60%	0.596	39%	0.39	S	S	*	.	H	α-helix	trans	-69.1	-48.1	174.1	180	-177.4	173.4	-173.8	-2.3	110.4	I992 L993 Q994 E998 K999 D1000	I992-R996 PolarHBondContact O-N 2.73Å; I992-R996 VanDerWaalsContact O-N 3.11Å; L993-R996 WeakPolarHBondContact O-CB 3.36Å; L993-R996 PolarHBondContact O-N 3.03Å; L993-R996 VanDerWaalsContact O-N 3.09Å; Q994-R996 VanDerWaalsContact C-N 3.31Å; Q994-R996 PolarHBondContact O-N 3.34Å; R996-E998 VanDerWaalsContact C-N 3.29Å; R996-E998 PolarHBondContact O-N 3.44Å; R996-K999 WeakPolarHBondContact O-CB 3.22Å; R996-K999 PolarHBondContact O-N 2.88Å; R996-K999 VanDerWaalsContact O-N 3.1Å; R996-D1000 PolarHBondContact O-N 3.47Å
997	Q	93.9	Very high	92.8	Very high	17 Å²	17	85 Å²	85	8%	0.079	41%	0.411	C	S	.	.	H	α-helix	trans	-60.1	-37.6	179.5	-70	-175.7	-12.5	0	0	112.7	L993 Q994 D1000 A1001 Q1066 E1069	L993-Q997 HydrophobicContact CD1-CG 4.39Å; L993-Q997 HydrophobicContact CG-CG 4.44Å; L993-Q997 WeakPolarHBondContact O-CG 3.18Å; L993-Q997 PolarHBondContact O-N 3.29Å; Q994-Q997 PolarHBondContact O-N 3.47Å; Q997-D1000 PolarHBondContact O-N 3.21Å; Q997-A1001 WeakPolarHBondContact O-CB 3.39Å; Q997-A1001 PolarHBondContact O-N 3.49Å; Q997-Q1066 HydrophobicContact CB-CG 3.99Å; Q997-Q1066 HydrophobicContact CG-CB 4.18Å; Q997-Q1066 HydrophobicContact CG-CG 3.73Å; Q997-Q1066 VanDerWaalsContact NE2-CA 3.33Å; Q997-Q1066 PolarHBondContact NE2-O 3.33Å; Q997-Q1066 PolarHBondContact O-NE2 3.28Å; Q997-E1069 PolarHBondContact NE2-OE2 3.27Å
998	E	93	Very high	92.6	Very high	131 Å²	131	82.3 Å²	82.3	61%	0.612	39%	0.389	S	S	*	.	H	α-helix	trans	-63.3	-43.7	173.8	-171.6	179.4	-171.8	0	0	112	Q994 R996 D1000 A1001 V1002	Q994-E998 PolarHBondContact O-N 2.91Å; R996-E998 VanDerWaalsContact C-N 3.29Å; R996-E998 PolarHBondContact O-N 3.44Å; E998-D1000 VanDerWaalsContact C-N 3.34Å; E998-D1000 PolarHBondContact O-N 2.63Å; E998-A1001 PolarHBondContact O-N 3.29Å; E998-V1002 VanDerWaalsContact O-CG2 3.32Å; E998-V1002 WeakPolarHBondContact O-CG2 3.24Å; E998-V1002 PolarHBondContact O-N 3.08Å
999	K	92.9	Very high	92.3	Very high	154 Å²	154	79.2 Å²	79.2	67%	0.67	38%	0.381	S	S	*	.	H	α-helix	trans	-62.1	-42	176.3	-72.6	176.7	-179.1	-178.1	0	112.1	K995 R996 V1002 S1003	K995-K999 WeakPolarHBondContact O-CG 3.31Å; K995-K999 PolarHBondContact O-N 2.95Å; R996-K999 WeakPolarHBondContact O-CB 3.22Å; R996-K999 PolarHBondContact O-N 2.88Å; R996-K999 VanDerWaalsContact O-N 3.1Å; K999-V1002 PolarHBondContact O-N 3.2Å; K999-S1003 WeakPolarHBondContact O-CB 3.41Å; K999-S1003 PolarHBondContact O-N 2.87Å
1000	D	90.8	Very high	92	Very high	72 Å²	72	79.9 Å²	79.9	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-41.9	179.1	-65.1	-18.8	0	0	0	110.8	R996 Q997 E998 S1003 M1004	R996-D1000 PolarHBondContact O-N 3.47Å; Q997-D1000 PolarHBondContact O-N 3.21Å; E998-D1000 VanDerWaalsContact C-N 3.34Å; E998-D1000 PolarHBondContact O-N 2.63Å; D1000-S1003 PolarHBondContact O-N 3.04Å; D1000-M1004 PolarHBondContact O-N 2.86Å
1001	A	91.5	Very high	91.7	Very high	8 Å²	8	81.5 Å²	81.5	7%	0.066	39%	0.394	C	S	.	.	H	α-helix	trans	-63.6	-44.7	175.2	0	0	0	0	0	112.3	Q997 E998 S1003 M1004 L1005 W1059 L1062	Q997-A1001 WeakPolarHBondContact O-CB 3.39Å; Q997-A1001 PolarHBondContact O-N 3.49Å; E998-A1001 PolarHBondContact O-N 3.29Å; A1001-S1003 VanDerWaalsContact C-N 3.32Å; A1001-S1003 PolarHBondContact O-N 2.9Å; A1001-M1004 PolarHBondContact O-N 3.36Å; A1001-L1005 PolarHBondContact O-N 3.44Å; A1001-W1059 HydrophobicContact CB-CH2 3.92Å; A1001-W1059 HydrophobicContact CB-CZ3 4.03Å; A1001-L1062 HydrophobicContact CB-CD2 4.3Å
1002	V	92	Very high	91.4	Very high	65 Å²	65	78.2 Å²	78.2	39%	0.394	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-39.3	175.8	170.6	0	0	0	0	111.4	E998 K999 L1005 R1006	E998-V1002 VanDerWaalsContact O-CG2 3.32Å; E998-V1002 WeakPolarHBondContact O-CG2 3.24Å; E998-V1002 PolarHBondContact O-N 3.08Å; K999-V1002 PolarHBondContact O-N 3.2Å; V1002-L1005 PolarHBondContact O-N 3.43Å; V1002-R1006 WeakPolarHBondContact O-CG 3.05Å; V1002-R1006 PolarHBondContact O-N 3.13Å
1003	S	91.4	Very high	91	Very high	62 Å²	62	77.5 Å²	77.5	43%	0.434	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-42.4	177.3	-170.2	0	0	0	0	112	K999 D1000 A1001 R1006 N1007	K999-S1003 WeakPolarHBondContact O-CB 3.41Å; K999-S1003 PolarHBondContact O-N 2.87Å; D1000-S1003 PolarHBondContact O-N 3.04Å; A1001-S1003 VanDerWaalsContact C-N 3.32Å; A1001-S1003 PolarHBondContact O-N 2.9Å; S1003-R1006 PolarHBondContact O-N 2.86Å; S1003-N1007 PolarHBondContact O-N 2.9Å; S1003-N1007 VanDerWaalsContact O-N 3.11Å
1004	M	90.7	Very high	90.6	Very high	41 Å²	41	83.1 Å²	83.1	20%	0.202	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-46.3	175.9	-178.1	174.9	-78.1	0	0	111.1	D1000 A1001 R1006 N1007 H1008 Q1058 W1059 L1062	D1000-M1004 PolarHBondContact O-N 2.86Å; A1001-M1004 PolarHBondContact O-N 3.36Å; M1004-R1006 VanDerWaalsContact C-N 3.34Å; M1004-R1006 PolarHBondContact O-N 3.01Å; M1004-N1007 WeakPolarHBondContact O-CB 3.5Å; M1004-N1007 PolarHBondContact O-N 3.38Å; M1004-N1007 VanDerWaalsContact O-N 3.11Å; M1004-H1008 PolarHBondContact O-N 2.92Å; M1004-Q1058 HydrophobicContact CE-CB 4.24Å; M1004-Q1058 HydrophobicContact SD-CB 4.21Å; M1004-W1059 HydrophobicContact SD-CE3 4.13Å; M1004-L1062 HydrophobicContact CB-CD2 4.31Å; M1004-L1062 HydrophobicContact CE-CB 3.97Å; M1004-L1062 HydrophobicContact CE-CD2 3.93Å; M1004-L1062 HydrophobicContact CE-CG 4.38Å; M1004-L1062 HydrophobicContact SD-CB 4.17Å; M1004-L1062 HydrophobicContact SD-CD2 3.8Å
1005	L	89.1	Confident	90.3	Very high	71 Å²	71	80.1 Å²	80.1	37%	0.372	39%	0.388	S	S	.	.	H	α-helix	trans	-59.9	-42.9	178.9	-173.8	61.8	0	0	0	112	A1001 V1002 N1007 H1008 T1009 V1209	A1001-L1005 PolarHBondContact O-N 3.44Å; V1002-L1005 PolarHBondContact O-N 3.43Å; L1005-N1007 VanDerWaalsContact C-N 3.33Å; L1005-N1007 PolarHBondContact O-N 3.16Å; L1005-H1008 PolarHBondContact O-N 3.41Å; L1005-T1009 PolarHBondContact O-N 3.32Å; L1005-T1009 PolarHBondContact O-OG1 2.91Å; L1005-T1009 VanDerWaalsContact O-OG1 3.05Å; L1005-V1209 HydrophobicContact CD1-CG1 3.63Å
1006	R	90.2	Very high	89.9	Confident	172 Å²	172	78 Å²	78	65%	0.649	38%	0.382	S	S	*	.	H	α-helix	trans	-59.8	-42.6	174.7	-75.4	179.2	-174.6	173.5	2.4	112.3	V1002 S1003 M1004 T1009 I1010	V1002-R1006 WeakPolarHBondContact O-CG 3.05Å; V1002-R1006 PolarHBondContact O-N 3.13Å; S1003-R1006 PolarHBondContact O-N 2.86Å; M1004-R1006 VanDerWaalsContact C-N 3.34Å; M1004-R1006 PolarHBondContact O-N 3.01Å; R1006-T1009 PolarHBondContact O-N 3.49Å; R1006-I1010 WeakPolarHBondContact O-CD1 3.34Å; R1006-I1010 VanDerWaalsContact O-CG1 3.27Å; R1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; R1006-I1010 PolarHBondContact O-N 2.99Å
1007	N	89.4	Confident	89.4	Confident	88 Å²	88	74 Å²	74	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.5	-75.3	-17.3	0	0	0	111.6	S1003 M1004 L1005 T1009 I1010 I1011	S1003-N1007 PolarHBondContact O-N 2.9Å; S1003-N1007 VanDerWaalsContact O-N 3.11Å; M1004-N1007 WeakPolarHBondContact O-CB 3.5Å; M1004-N1007 PolarHBondContact O-N 3.38Å; M1004-N1007 VanDerWaalsContact O-N 3.11Å; L1005-N1007 VanDerWaalsContact C-N 3.33Å; L1005-N1007 PolarHBondContact O-N 3.16Å; N1007-T1009 PolarHBondContact O-N 2.86Å; N1007-I1010 PolarHBondContact O-N 2.88Å; N1007-I1011 VanDerWaalsContact O-CG1 3.3Å; N1007-I1011 WeakPolarHBondContact O-CG1 3.49Å; N1007-I1011 PolarHBondContact O-N 2.78Å
1008	H	90.2	Very high	88.9	Confident	7 Å²	7	76 Å²	76	3%	0.032	39%	0.391	C	S	.	.	H	α-helix	trans	-57.8	-46.9	174.7	-71.6	178.6	0	0	0	111.3	M1004 L1005 I1010 I1011 T1012 H1055 Q1058	M1004-H1008 PolarHBondContact O-N 2.92Å; L1005-H1008 PolarHBondContact O-N 3.41Å; H1008-I1010 PolarHBondContact O-N 2.83Å; H1008-I1011 PolarHBondContact O-N 2.87Å; H1008-T1012 PolarHBondContact O-N 2.74Å; H1008-T1012 PolarHBondContact O-OG1 3.22Å; H1008-T1012 VanDerWaalsContact O-OG1 3.05Å; H1008-H1055 VanDerWaalsContact CA-CE1 3.49Å; H1008-H1055 WeakPolarHBondContact CA-CE1 3.37Å; H1008-H1055 AromaticContact CD2-CD2 3.24Å; H1008-H1055 PolarHBondContact CD2-CD2 3.43Å; H1008-H1055 AromaticContact CD2-CE1 3.91Å; H1008-H1055 AromaticContact CD2-CG 3.61Å; H1008-H1055 AromaticContact CD2-ND1 3.99Å; H1008-H1055 AromaticContact CD2-NE2 3.45Å; H1008-H1055 PolarHBondContact CD2-NE2 3.48Å; H1008-H1055 AromaticContact CE1-CG 3.82Å; H1008-H1055 PolarHBondContact CE1-O 3Å; H1008-H1055 AromaticContact CG-CD2 3.69Å; H1008-H1055 AromaticContact CG-CE1 3.8Å; H1008-H1055 AromaticContact CG-CG 3.56Å; H1008-H1055 AromaticContact CG-ND1 3.63Å; H1008-H1055 AromaticContact CG-NE2 3.82Å; H1008-H1055 AromaticContact ND1-CG 3.72Å; H1008-H1055 AromaticContact NE2-CD2 3.48Å; H1008-H1055 PolarHBondContact NE2-CD2 3.35Å; H1008-H1055 AromaticContact NE2-CG 3.76Å; H1008-H1055 PolarHBondContact O-CE1 3.32Å; H1008-Q1058 PolarHBondContact NE2-OE1 3.35Å
1009	T	88.9	Confident	88.4	Confident	71 Å²	71	71 Å²	71	44%	0.436	37%	0.367	S	S	.	.	H	α-helix	trans	-58.2	-46.6	175.7	-52.2	0	0	0	0	112	L1005 R1006 N1007 I1011 T1012 D1013	L1005-T1009 PolarHBondContact O-N 3.32Å; L1005-T1009 PolarHBondContact O-OG1 2.91Å; L1005-T1009 VanDerWaalsContact O-OG1 3.05Å; R1006-T1009 PolarHBondContact O-N 3.49Å; N1007-T1009 PolarHBondContact O-N 2.86Å; T1009-I1011 VanDerWaalsContact C-N 3.32Å; T1009-I1011 PolarHBondContact O-N 2.89Å; T1009-T1012 PolarHBondContact O-N 3.29Å; T1009-D1013 WeakPolarHBondContact O-CB 3.41Å; T1009-D1013 PolarHBondContact O-N 2.83Å
1010	I	89.1	Confident	87.8	Confident	84 Å²	84	66.4 Å²	66.4	43%	0.431	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-40.6	179.9	-69	164.2	0	0	0	111.7	R1006 N1007 H1008 K1014	R1006-I1010 WeakPolarHBondContact O-CD1 3.34Å; R1006-I1010 VanDerWaalsContact O-CG1 3.27Å; R1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; R1006-I1010 PolarHBondContact O-N 2.99Å; N1007-I1010 PolarHBondContact O-N 2.88Å; H1008-I1010 PolarHBondContact O-N 2.83Å; I1010-K1014 HydrophobicContact CG2-CD 4.27Å; I1010-K1014 VanDerWaalsContact O-CG 3.29Å; I1010-K1014 WeakPolarHBondContact O-CG 3.4Å; I1010-K1014 PolarHBondContact O-N 3.07Å; I1010-K1014 VanDerWaalsContact O-N 3.09Å
1011	I	87.8	Confident	87.3	Confident	77 Å²	77	69.8 Å²	69.8	40%	0.395	37%	0.37	S	S	.	.	H	α-helix	trans	-69.6	-44.2	-179.6	-63.6	165.4	0	0	0	110.3	N1007 H1008 T1009 D1013 K1014 L1015 L1051	N1007-I1011 VanDerWaalsContact O-CG1 3.3Å; N1007-I1011 WeakPolarHBondContact O-CG1 3.49Å; N1007-I1011 PolarHBondContact O-N 2.78Å; H1008-I1011 PolarHBondContact O-N 2.87Å; T1009-I1011 VanDerWaalsContact C-N 3.32Å; T1009-I1011 PolarHBondContact O-N 2.89Å; I1011-D1013 PolarHBondContact O-N 2.89Å; I1011-K1014 PolarHBondContact O-N 2.97Å; I1011-L1015 PolarHBondContact O-N 2.85Å; I1011-L1051 HydrophobicContact CG2-CD1 3.63Å; I1011-L1051 HydrophobicContact CG2-CD2 4.07Å; I1011-L1051 HydrophobicContact CG2-CG 4.5Å
1012	T	87.3	Confident	86.5	Confident	23 Å²	23	73.7 Å²	73.7	14%	0.141	39%	0.387	C	S	.	.	H	α-helix	trans	-60	-44.6	176.1	-58.2	0	0	0	0	111.7	H1008 T1009 K1014 L1015 N1016 M1048	H1008-T1012 PolarHBondContact O-N 2.74Å; H1008-T1012 PolarHBondContact O-OG1 3.22Å; H1008-T1012 VanDerWaalsContact O-OG1 3.05Å; T1009-T1012 PolarHBondContact O-N 3.29Å; T1012-K1014 VanDerWaalsContact C-N 3.35Å; T1012-K1014 PolarHBondContact O-N 2.81Å; T1012-L1015 PolarHBondContact O-N 2.6Å; T1012-N1016 PolarHBondContact O-N 3.04Å; T1012-N1016 PolarHBondContact O-ND2 3.31Å; T1012-M1048 HydrophobicContact CG2-CE 4.31Å; T1012-M1048 HydrophobicContact CG2-SD 4.18Å
1013	D	87.1	Confident	85.6	Confident	88 Å²	88	75.3 Å²	75.3	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-64	-38.4	178.2	-74.5	-18.2	0	0	0	112.4	T1009 I1011 N1016 T1017	T1009-D1013 WeakPolarHBondContact O-CB 3.41Å; T1009-D1013 PolarHBondContact O-N 2.83Å; I1011-D1013 PolarHBondContact O-N 2.89Å; D1013-N1016 PolarHBondContact O-N 2.95Å; D1013-T1017 WeakPolarHBondContact O-CB 3.29Å; D1013-T1017 PolarHBondContact O-N 2.97Å; D1013-T1017 PolarHBondContact O-OG1 3.39Å
1014	K	87.2	Confident	84.5	Confident	145 Å²	145	75.4 Å²	75.4	63%	0.63	39%	0.387	S	S	*	.	H	α-helix	trans	-63.4	-43.6	174.8	-78.2	175.5	-179.5	179.5	0	111.8	I1010 I1011 T1012 T1017 S1018	I1010-K1014 HydrophobicContact CG2-CD 4.27Å; I1010-K1014 VanDerWaalsContact O-CG 3.29Å; I1010-K1014 WeakPolarHBondContact O-CG 3.4Å; I1010-K1014 PolarHBondContact O-N 3.07Å; I1010-K1014 VanDerWaalsContact O-N 3.09Å; I1011-K1014 PolarHBondContact O-N 2.97Å; T1012-K1014 VanDerWaalsContact C-N 3.35Å; T1012-K1014 PolarHBondContact O-N 2.81Å; K1014-T1017 PolarHBondContact O-N 2.83Å; K1014-S1018 PolarHBondContact O-N 3.5Å
1015	L	86	Confident	83.3	Confident	37 Å²	37	76.5 Å²	76.5	19%	0.194	40%	0.398	C	S	.	.	H	α-helix	trans	-62.9	-45.8	178.2	-175	63.4	0	0	0	111	I1011 T1012 T1017 S1018 H1019 Q1047 M1048 L1051	I1011-L1015 PolarHBondContact O-N 2.85Å; T1012-L1015 PolarHBondContact O-N 2.6Å; L1015-T1017 VanDerWaalsContact C-N 3.35Å; L1015-T1017 PolarHBondContact O-N 2.93Å; L1015-S1018 PolarHBondContact O-N 3.16Å; L1015-H1019 PolarHBondContact O-N 3.43Å; L1015-Q1047 HydrophobicContact CD1-CB 4.29Å; L1015-Q1047 HydrophobicContact CD2-CB 4.22Å; L1015-M1048 HydrophobicContact CB-CE 4.47Å; L1015-M1048 HydrophobicContact CD2-CE 3.63Å; L1015-M1048 HydrophobicContact CD2-SD 4.06Å; L1015-M1048 HydrophobicContact CG-CE 4.15Å; L1015-L1051 HydrophobicContact CD2-CD2 3.89Å
1016	N	84.8	Confident	82	Confident	67 Å²	67	75 Å²	75	36%	0.358	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-40.2	176.1	-74.2	-27	0	0	0	112.7	T1012 D1013 H1019 A1020 H1044 M1048	T1012-N1016 PolarHBondContact O-N 3.04Å; T1012-N1016 PolarHBondContact O-ND2 3.31Å; D1013-N1016 PolarHBondContact O-N 2.95Å; N1016-H1019 PolarHBondContact O-N 2.68Å; N1016-A1020 PolarHBondContact O-N 2.78Å; N1016-H1044 PolarHBondContact OD1-NE2 2.99Å; N1016-M1048 WeakPolarHBondContact OD1-CE 3.48Å
1017	T	84.9	Confident	80.5	Confident	75 Å²	75	74 Å²	74	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-66.8	-39	177.1	-56.5	0	0	0	0	111.8	D1013 K1014 L1015 A1020 K1021	D1013-T1017 WeakPolarHBondContact O-CB 3.29Å; D1013-T1017 PolarHBondContact O-N 2.97Å; D1013-T1017 PolarHBondContact O-OG1 3.39Å; K1014-T1017 PolarHBondContact O-N 2.83Å; L1015-T1017 VanDerWaalsContact C-N 3.35Å; L1015-T1017 PolarHBondContact O-N 2.93Å; T1017-A1020 PolarHBondContact O-N 3.44Å; T1017-K1021 WeakPolarHBondContact O-CG 3.47Å; T1017-K1021 PolarHBondContact O-N 3.31Å; T1017-K1021 VanDerWaalsContact O-N 3.12Å
1018	S	82.4	Confident	79	Confident	58 Å²	58	80.9 Å²	80.9	41%	0.406	41%	0.411	S	S	.	.	H	α-helix	trans	-62.6	-46.1	175.8	-164	0	0	0	0	111.2	K1014 L1015 A1020 K1021 E1022	K1014-S1018 PolarHBondContact O-N 3.5Å; L1015-S1018 PolarHBondContact O-N 3.16Å; S1018-A1020 PolarHBondContact O-N 2.87Å; S1018-K1021 WeakPolarHBondContact O-CB 3.5Å; S1018-K1021 PolarHBondContact O-N 3.3Å; S1018-K1021 VanDerWaalsContact O-N 3.15Å; S1018-E1022 PolarHBondContact O-N 2.81Å
1019	H	81.7	Confident	77.3	Confident	25 Å²	25	84.9 Å²	84.9	12%	0.116	44%	0.437	C	S	.	.	H	α-helix	trans	-62.4	-41.2	177.2	-171.1	-108.9	0	0	0	112.8	L1015 N1016 K1021 E1022 R1023 L1040 H1044	L1015-H1019 PolarHBondContact O-N 3.43Å; N1016-H1019 PolarHBondContact O-N 2.68Å; H1019-K1021 VanDerWaalsContact C-N 3.28Å; H1019-K1021 PolarHBondContact O-N 2.66Å; H1019-E1022 PolarHBondContact O-N 3.46Å; H1019-R1023 VanDerWaalsContact O-CB 3.29Å; H1019-R1023 WeakPolarHBondContact O-CB 3.45Å; H1019-R1023 PolarHBondContact O-N 2.85Å; H1019-L1040 PolarHBondContact NE2-O 3.16Å; H1019-H1044 VanDerWaalsContact CB-CD2 3.49Å; H1019-H1044 WeakPolarHBondContact CB-CD2 3.19Å; H1019-H1044 WeakPolarHBondContact CD2-CB 3.41Å; H1019-H1044 AromaticContact CD2-CD2 3.82Å; H1019-H1044 AromaticContact CD2-CG 3.62Å; H1019-H1044 AromaticContact CE1-CG 4Å; H1019-H1044 AromaticContact CG-CD2 3.56Å; H1019-H1044 AromaticContact CG-CG 3.63Å; H1019-H1044 AromaticContact ND1-CG 3.95Å; H1019-H1044 VanDerWaalsContact NE2-CB 3.31Å; H1019-H1044 WeakPolarHBondContact NE2-CB 3.21Å; H1019-H1044 AromaticContact NE2-CG 3.82Å
1020	A	80.7	Confident	75.4	Confident	59 Å²	59	87 Å²	87	49%	0.488	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-36.4	175.5	0	0	0	0	0	112.4	N1016 T1017 S1018 S1024	N1016-A1020 PolarHBondContact O-N 2.78Å; T1017-A1020 PolarHBondContact O-N 3.44Å; S1018-A1020 PolarHBondContact O-N 2.87Å; A1020-S1024 WeakPolarHBondContact O-CB 3.32Å; A1020-S1024 PolarHBondContact O-N 2.54Å; A1020-S1024 VanDerWaalsContact O-N 3.16Å; A1020-S1024 PolarHBondContact O-OG 2.78Å
1021	K	80.9	Confident	73.2	Confident	142 Å²	142	90.7 Å²	90.7	62%	0.617	47%	0.47	S	S	*	.	H	α-helix	trans	-68.5	-46.2	174.5	-73.6	177.9	-179.4	179.3	0	112	T1017 S1018 H1019 R1023 S1024 S1025	T1017-K1021 WeakPolarHBondContact O-CG 3.47Å; T1017-K1021 PolarHBondContact O-N 3.31Å; T1017-K1021 VanDerWaalsContact O-N 3.12Å; S1018-K1021 WeakPolarHBondContact O-CB 3.5Å; S1018-K1021 PolarHBondContact O-N 3.3Å; S1018-K1021 VanDerWaalsContact O-N 3.15Å; H1019-K1021 VanDerWaalsContact C-N 3.28Å; H1019-K1021 PolarHBondContact O-N 2.66Å; K1021-R1023 VanDerWaalsContact C-N 3.33Å; K1021-R1023 PolarHBondContact O-N 2.87Å; K1021-S1024 WeakPolarHBondContact CA-OG 3.42Å; K1021-S1024 PolarHBondContact O-N 3.34Å; K1021-S1024 PolarHBondContact O-OG 3.29Å; K1021-S1025 PolarHBondContact O-N 3.49Å; K1021-S1025 PolarHBondContact O-OG 2.9Å
1022	E	74	Confident	71	Confident	91 Å²	91	96 Å²	96	43%	0.425	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-36.9	177.6	-75.1	-178	167.7	0	0	112.6	S1018 H1019 S1024 S1025 T1026 L1040	S1018-E1022 PolarHBondContact O-N 2.81Å; H1019-E1022 PolarHBondContact O-N 3.46Å; E1022-S1024 VanDerWaalsContact C-N 3.33Å; E1022-S1024 PolarHBondContact O-N 3.43Å; E1022-S1025 WeakPolarHBondContact CA-OG 3.46Å; E1022-S1025 PolarHBondContact O-OG 3.35Å; E1022-T1026 WeakPolarHBondContact O-CB 3.35Å; E1022-T1026 PolarHBondContact O-N 2.78Å; E1022-T1026 PolarHBondContact O-OG1 3.39Å; E1022-L1040 HydrophobicContact CB-CD2 4.14Å
1023	R	72.8	Confident	69.1	Low	98 Å²	98	102.8 Å²	102.8	37%	0.37	52%	0.52	S	S	.	.	H	α-helix	trans	-68.9	-32.9	176.9	-162.4	175.3	-172.7	-173.9	2.2	112.3	H1019 K1021 K1027	H1019-R1023 VanDerWaalsContact O-CB 3.29Å; H1019-R1023 WeakPolarHBondContact O-CB 3.45Å; H1019-R1023 PolarHBondContact O-N 2.85Å; K1021-R1023 VanDerWaalsContact C-N 3.33Å; K1021-R1023 PolarHBondContact O-N 2.87Å; R1023-K1027 PolarHBondContact O-N 2.84Å
1024	S	69.9	Low	67.6	Low	65 Å²	65	106.6 Å²	106.6	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-79.4	-32.1	177.6	52.2	0	0	0	0	113.1	A1020 K1021 E1022	A1020-S1024 WeakPolarHBondContact O-CB 3.32Å; A1020-S1024 PolarHBondContact O-N 2.54Å; A1020-S1024 VanDerWaalsContact O-N 3.16Å; A1020-S1024 PolarHBondContact O-OG 2.78Å; K1021-S1024 WeakPolarHBondContact CA-OG 3.42Å; K1021-S1024 PolarHBondContact O-N 3.34Å; K1021-S1024 PolarHBondContact O-OG 3.29Å; E1022-S1024 VanDerWaalsContact C-N 3.33Å; E1022-S1024 PolarHBondContact O-N 3.43Å
1025	S	65.5	Low	66.2	Low	63 Å²	63	102 Å²	102	44%	0.441	54%	0.535	S	S	.	.	H	α-helix	trans	-69	-39.4	170.4	55	0	0	0	0	112.2	K1021 E1022 K1027 R1028 T1029	K1021-S1025 PolarHBondContact O-N 3.49Å; K1021-S1025 PolarHBondContact O-OG 2.9Å; E1022-S1025 WeakPolarHBondContact CA-OG 3.46Å; E1022-S1025 PolarHBondContact O-OG 3.35Å; S1025-K1027 VanDerWaalsContact C-N 3.32Å; S1025-K1027 PolarHBondContact O-N 3.25Å; S1025-R1028 PolarHBondContact O-N 3.12Å; S1025-T1029 PolarHBondContact O-OG1 3.32Å; S1025-T1029 VanDerWaalsContact O-OG1 3.09Å
1026	T	61	Low	64.8	Low	39 Å²	39	105.8 Å²	105.8	24%	0.239	55%	0.551	C	S	.	*	H	α-helix	trans	-65.4	-33.6	178.4	-51.1	0	0	0	0	112	E1022 R1028 T1029 L1040	E1022-T1026 WeakPolarHBondContact O-CB 3.35Å; E1022-T1026 PolarHBondContact O-N 2.78Å; E1022-T1026 PolarHBondContact O-OG1 3.39Å; T1026-R1028 VanDerWaalsContact C-N 3.31Å; T1026-R1028 PolarHBondContact O-N 3.21Å; T1026-T1029 PolarHBondContact O-N 3.03Å; T1026-T1029 VanDerWaalsContact O-O 3.07Å; T1026-L1040 HydrophobicContact CG2-CD1 3.79Å; T1026-L1040 WeakPolarHBondContact OG1-CD1 3.37Å
1027	K	58.5	Low	63.6	Low	153 Å²	153	105.5 Å²	105.5	67%	0.665	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.4	175.3	-81.2	-175.8	177.7	-178.1	0	115.1	R1023 S1025	R1023-K1027 PolarHBondContact O-N 2.84Å; S1025-K1027 VanDerWaalsContact C-N 3.32Å; S1025-K1027 PolarHBondContact O-N 3.25Å
1028	R	57.8	Low	62.5	Low	231 Å²	231	104.1 Å²	104.1	87%	0.872	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.9	-179.3	-75.6	-176.7	176.1	-179.4	-0.3	113.6	S1025 T1026	S1025-R1028 PolarHBondContact O-N 3.12Å; T1026-R1028 VanDerWaalsContact C-N 3.31Å; T1026-R1028 PolarHBondContact O-N 3.21Å
1029	T	55.3	Low	61.8	Low	92 Å²	92	104 Å²	104	56%	0.564	55%	0.548	S	S	*	.	S	Bend	trans	-126.9	112.7	-173.6	-14.4	0	0	0	0	106.7	S1025 T1026	S1025-T1029 PolarHBondContact O-OG1 3.32Å; S1025-T1029 VanDerWaalsContact O-OG1 3.09Å; T1026-T1029 PolarHBondContact O-N 3.03Å; T1026-T1029 VanDerWaalsContact O-O 3.07Å
1030	V	49.5	Very low	61.1	Low	114 Å²	114	104.5 Å²	104.5	69%	0.691	55%	0.552	S	S	*	*			trans	88.9	109.1	170.2	-165.4	0	0	0	0	117.3
1031	N	42.6	Very low	60.7	Low	163 Å²	163	106.3 Å²	106.3	87%	0.872	55%	0.55	S	S	*	*	S	Bend	trans	-73.4	132.1	151.7	-93.2	-29	0	0	0	108.5
1032	K	41.1	Very low	60.5	Low	189 Å²	189	104.4 Å²	104.4	82%	0.822	55%	0.546	S	S	*	.			trans	83.6	93.3	179.2	-59.1	177.6	174.8	177.9	0	115.5
1033	E	48	Very low	60.8	Low	165 Å²	165	103.5 Å²	103.5	77%	0.771	55%	0.547	S	S	*	.				172.7	124.3	121.8	-93.6	177.6	-169.5	0	0	109.9	G1035	E1033-G1035 PolarHBondContact O-N 3.29Å; E1033-G1035 VanDerWaalsContact O-N 3.08Å
1034	N	55.7	Low	61.3	Low	168 Å²	168	100.6 Å²	100.6	90%	0.898	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-4.5	-177.8	-85.2	-15	0	0	0	114.3
1035	G	57.9	Low	62	Low	49 Å²	49	102.9 Å²	102.9	51%	0.505	54%	0.541	S	S	.	.	H	α-helix	trans	-81.1	-32.5	-174.6	0	0	0	0	0	115.6	E1033 A1038 A1039	E1033-G1035 PolarHBondContact O-N 3.29Å; E1033-G1035 VanDerWaalsContact O-N 3.08Å; G1035-A1038 PolarHBondContact O-N 3.5Å; G1035-A1039 PolarHBondContact O-N 2.96Å
1036	Q	55.9	Low	62.9	Low	116 Å²	116	105 Å²	105	54%	0.542	55%	0.548	S	S	.	.	H	α-helix	trans	-74.6	-30.2	-172.6	-74.3	-178.7	-16	0	0	113.7	L1040	Q1036-L1040 PolarHBondContact O-N 3.35Å
1037	N	58.8	Low	64.1	Low	61 Å²	61	107.6 Å²	107.6	33%	0.326	56%	0.557	S	S	.	*	H	α-helix	trans	-69.5	-32	176.6	-111.4	-43.1	0	0	0	112.6	Q1041	N1037-Q1041 WeakPolarHBondContact O-CG 3.38Å; N1037-Q1041 PolarHBondContact O-N 3.31Å
1038	A	62.3	Low	65.4	Low	46 Å²	46	101.9 Å²	101.9	38%	0.38	53%	0.533	S	S	.	.	H	α-helix	trans	-69.5	-46.4	178.5	0	0	0	0	0	111.2	G1035 L1040 Q1041 D1042	G1035-A1038 PolarHBondContact O-N 3.5Å; A1038-L1040 VanDerWaalsContact C-N 3.32Å; A1038-L1040 PolarHBondContact O-N 3.33Å; A1038-Q1041 PolarHBondContact O-N 3.39Å; A1038-D1042 PolarHBondContact O-N 2.99Å
1039	A	67.8	Low	66.8	Low	55 Å²	55	93.8 Å²	93.8	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-61.4	-37.4	177.8	0	0	0	0	0	113.3	G1035 Q1041 T1043	G1035-A1039 PolarHBondContact O-N 2.96Å; A1039-Q1041 VanDerWaalsContact C-N 3.35Å; A1039-T1043 WeakPolarHBondContact O-CB 3.47Å; A1039-T1043 PolarHBondContact O-N 3.22Å; A1039-T1043 PolarHBondContact O-OG1 3.18Å
1040	L	66.3	Low	68.3	Low	36 Å²	36	92.9 Å²	92.9	19%	0.188	50%	0.501	C	S	.	.	H	α-helix	trans	-68.6	-30.1	174.3	-93.3	148.9	0	0	0	113	H1019 E1022 T1026 Q1036 A1038 H1044	H1019-L1040 PolarHBondContact NE2-O 3.16Å; E1022-L1040 HydrophobicContact CB-CD2 4.14Å; T1026-L1040 HydrophobicContact CG2-CD1 3.79Å; T1026-L1040 WeakPolarHBondContact OG1-CD1 3.37Å; Q1036-L1040 PolarHBondContact O-N 3.35Å; A1038-L1040 VanDerWaalsContact C-N 3.32Å; A1038-L1040 PolarHBondContact O-N 3.33Å; L1040-H1044 PolarHBondContact O-N 3.2Å
1041	Q	72.4	Confident	70.1	Confident	97 Å²	97	88.3 Å²	88.3	45%	0.453	47%	0.472	S	S	.	.	H	α-helix	trans	-75.1	-42.2	173.6	-75.8	-176.4	-50.3	0	0	111.7	N1037 A1038 A1039 T1043 H1044 H1045	N1037-Q1041 WeakPolarHBondContact O-CG 3.38Å; N1037-Q1041 PolarHBondContact O-N 3.31Å; A1038-Q1041 PolarHBondContact O-N 3.39Å; A1039-Q1041 VanDerWaalsContact C-N 3.35Å; Q1041-T1043 VanDerWaalsContact C-N 3.33Å; Q1041-T1043 PolarHBondContact O-N 3.16Å; Q1041-H1044 PolarHBondContact O-N 3.47Å; Q1041-H1045 WeakPolarHBondContact O-CB 3.4Å; Q1041-H1045 PolarHBondContact O-N 3.18Å
1042	D	77.8	Confident	72.2	Confident	101 Å²	101	82.3 Å²	82.3	54%	0.54	44%	0.441	S	S	.	.	H	α-helix	trans	-63.7	-39.1	177.2	-71.5	-17.5	0	0	0	111.9	A1038 H1045 N1046	A1038-D1042 PolarHBondContact O-N 2.99Å; D1042-H1045 PolarHBondContact O-N 3.37Å; D1042-N1046 PolarHBondContact O-N 3.3Å; D1042-N1046 PolarHBondContact O-ND2 3.18Å
1043	T	79.5	Confident	74.3	Confident	73 Å²	73	79.3 Å²	79.3	45%	0.448	43%	0.425	S	S	.	.	H	α-helix	trans	-64	-43.8	177.5	-54.4	0	0	0	0	111.7	A1039 Q1041 N1046 Q1047	A1039-T1043 WeakPolarHBondContact O-CB 3.47Å; A1039-T1043 PolarHBondContact O-N 3.22Å; A1039-T1043 PolarHBondContact O-OG1 3.18Å; Q1041-T1043 VanDerWaalsContact C-N 3.33Å; Q1041-T1043 PolarHBondContact O-N 3.16Å; T1043-N1046 PolarHBondContact O-N 2.97Å; T1043-Q1047 WeakPolarHBondContact O-CB 3.46Å; T1043-Q1047 VanDerWaalsContact O-CG 3.31Å; T1043-Q1047 WeakPolarHBondContact O-CG 3.35Å; T1043-Q1047 PolarHBondContact O-N 3.42Å
1044	H	82.9	Confident	76.2	Confident	36 Å²	36	75.5 Å²	75.5	17%	0.167	41%	0.407	C	S	.	.	H	α-helix	trans	-67.2	-39.2	176.2	176.9	-104.8	0	0	0	112.5	N1016 H1019 L1040 Q1041 N1046 Q1047 M1048	N1016-H1044 PolarHBondContact OD1-NE2 2.99Å; H1019-H1044 VanDerWaalsContact CB-CD2 3.49Å; H1019-H1044 WeakPolarHBondContact CB-CD2 3.19Å; H1019-H1044 WeakPolarHBondContact CD2-CB 3.41Å; H1019-H1044 AromaticContact CD2-CD2 3.82Å; H1019-H1044 AromaticContact CD2-CG 3.62Å; H1019-H1044 AromaticContact CE1-CG 4Å; H1019-H1044 AromaticContact CG-CD2 3.56Å; H1019-H1044 AromaticContact CG-CG 3.63Å; H1019-H1044 AromaticContact ND1-CG 3.95Å; H1019-H1044 VanDerWaalsContact NE2-CB 3.31Å; H1019-H1044 WeakPolarHBondContact NE2-CB 3.21Å; H1019-H1044 AromaticContact NE2-CG 3.82Å; L1040-H1044 PolarHBondContact O-N 3.2Å; Q1041-H1044 PolarHBondContact O-N 3.47Å; H1044-N1046 PolarHBondContact O-N 2.94Å; H1044-Q1047 PolarHBondContact O-N 2.95Å; H1044-M1048 VanDerWaalsContact O-CB 3.32Å; H1044-M1048 WeakPolarHBondContact O-CB 3.45Å; H1044-M1048 PolarHBondContact O-N 3.21Å
1045	H	84.7	Confident	77.9	Confident	114 Å²	114	67.9 Å²	67.9	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-47.5	174.5	-176.6	67.1	0	0	0	111.3	Q1041 D1042 Q1047 M1048 C1049	Q1041-H1045 WeakPolarHBondContact O-CB 3.4Å; Q1041-H1045 PolarHBondContact O-N 3.18Å; D1042-H1045 PolarHBondContact O-N 3.37Å; H1045-Q1047 PolarHBondContact O-N 3.48Å; H1045-M1048 PolarHBondContact O-N 3.37Å; H1045-C1049 WeakPolarHBondContact O-CB 3.3Å; H1045-C1049 PolarHBondContact O-N 3.4Å; H1045-C1049 PolarHBondContact O-SG 3.34Å; H1045-C1049 VanDerWaalsContact O-SG 3.32Å
1046	N	85	Confident	79.3	Confident	107 Å²	107	66.1 Å²	66.1	57%	0.572	35%	0.346	S	S	*	.	H	α-helix	trans	-63.2	-43.3	177.7	-71.6	-23.7	0	0	0	112.4	D1042 T1043 H1044 M1048 C1049 E1050	D1042-N1046 PolarHBondContact O-N 3.3Å; D1042-N1046 PolarHBondContact O-ND2 3.18Å; T1043-N1046 PolarHBondContact O-N 2.97Å; H1044-N1046 PolarHBondContact O-N 2.94Å; N1046-M1048 VanDerWaalsContact C-N 3.33Å; N1046-M1048 PolarHBondContact O-N 2.9Å; N1046-C1049 PolarHBondContact O-N 2.96Å; N1046-E1050 PolarHBondContact O-N 3.33Å
1047	Q	85.9	Confident	80.7	Confident	94 Å²	94	63.1 Å²	63.1	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-39.6	176	-74.2	175.4	-18.3	0	0	112	L1015 T1043 H1044 H1045 L1051	L1015-Q1047 HydrophobicContact CD1-CB 4.29Å; L1015-Q1047 HydrophobicContact CD2-CB 4.22Å; T1043-Q1047 WeakPolarHBondContact O-CB 3.46Å; T1043-Q1047 VanDerWaalsContact O-CG 3.31Å; T1043-Q1047 WeakPolarHBondContact O-CG 3.35Å; T1043-Q1047 PolarHBondContact O-N 3.42Å; H1044-Q1047 PolarHBondContact O-N 2.95Å; H1045-Q1047 PolarHBondContact O-N 3.48Å; Q1047-L1051 WeakPolarHBondContact O-CB 3.19Å; Q1047-L1051 PolarHBondContact O-N 3.45Å
1048	M	85.9	Confident	82.1	Confident	33 Å²	33	64.6 Å²	64.6	16%	0.163	34%	0.338	C	S	.	.	H	α-helix	trans	-69.2	-42.7	177.9	-167.1	60.6	69.6	0	0	111.5	T1012 L1015 N1016 H1044 H1045 N1046 E1050 L1051 V1052	T1012-M1048 HydrophobicContact CG2-CE 4.31Å; T1012-M1048 HydrophobicContact CG2-SD 4.18Å; L1015-M1048 HydrophobicContact CB-CE 4.47Å; L1015-M1048 HydrophobicContact CD2-CE 3.63Å; L1015-M1048 HydrophobicContact CD2-SD 4.06Å; L1015-M1048 HydrophobicContact CG-CE 4.15Å; N1016-M1048 WeakPolarHBondContact OD1-CE 3.48Å; H1044-M1048 VanDerWaalsContact O-CB 3.32Å; H1044-M1048 WeakPolarHBondContact O-CB 3.45Å; H1044-M1048 PolarHBondContact O-N 3.21Å; H1045-M1048 PolarHBondContact O-N 3.37Å; N1046-M1048 VanDerWaalsContact C-N 3.33Å; N1046-M1048 PolarHBondContact O-N 2.9Å; M1048-E1050 VanDerWaalsContact C-N 3.34Å; M1048-E1050 PolarHBondContact O-N 3.11Å; M1048-L1051 PolarHBondContact O-N 3.39Å; M1048-L1051 HydrophobicContact SD-CD2 4.25Å; M1048-V1052 HydrophobicContact CG-CG2 4.42Å; M1048-V1052 WeakPolarHBondContact O-CB 3.33Å; M1048-V1052 WeakPolarHBondContact O-CG2 3.45Å; M1048-V1052 PolarHBondContact O-N 2.85Å
1049	C	86.8	Confident	83.4	Confident	61 Å²	61	64.5 Å²	64.5	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-42.3	175.8	-74.8	0	0	0	0	112.2	H1045 N1046 V1052 R1053	H1045-C1049 WeakPolarHBondContact O-CB 3.3Å; H1045-C1049 PolarHBondContact O-N 3.4Å; H1045-C1049 PolarHBondContact O-SG 3.34Å; H1045-C1049 VanDerWaalsContact O-SG 3.32Å; N1046-C1049 PolarHBondContact O-N 2.96Å; C1049-V1052 PolarHBondContact O-N 3.02Å; C1049-R1053 PolarHBondContact O-N 3.45Å
1050	E	86.8	Confident	84.4	Confident	73 Å²	73	63.2 Å²	63.2	34%	0.341	32%	0.316	S	S	.	.	H	α-helix	trans	-67.6	-39.9	175.9	-179.8	55.1	-158.9	0	0	111.7	N1046 M1048 V1052 R1053 Q1054	N1046-E1050 PolarHBondContact O-N 3.33Å; M1048-E1050 VanDerWaalsContact C-N 3.34Å; M1048-E1050 PolarHBondContact O-N 3.11Å; E1050-V1052 PolarHBondContact O-N 3.34Å; E1050-R1053 WeakPolarHBondContact O-CB 3.14Å; E1050-R1053 PolarHBondContact O-N 3.39Å; E1050-R1053 IonicContact OE1-CZ 3.08Å; E1050-R1053 IonicContact OE1-NE 3.91Å; E1050-R1053 IonicContact OE1-NH2 2.9Å; E1050-R1053 PolarHBondContact OE1-NH2 3.07Å; E1050-R1053 IonicContact OE2-CZ 2.68Å; E1050-R1053 IonicContact OE2-NE 2.67Å; E1050-R1053 PolarHBondContact OE2-NE 2.94Å; E1050-R1053 IonicContact OE2-NH2 3.26Å; E1050-R1053 PolarHBondContact OE2-NH2 3.48Å; E1050-Q1054 WeakPolarHBondContact O-CG 3.29Å; E1050-Q1054 PolarHBondContact O-N 2.95Å; E1050-Q1054 PolarHBondContact OE1-NE2 3.46Å
1051	L	88.4	Confident	85.4	Confident	17 Å²	17	65 Å²	65	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-62.1	-42.9	174.9	-174.7	65.6	0	0	0	111.8	I1011 L1015 Q1047 M1048 R1053 Q1054 H1055	I1011-L1051 HydrophobicContact CG2-CD1 3.63Å; I1011-L1051 HydrophobicContact CG2-CD2 4.07Å; I1011-L1051 HydrophobicContact CG2-CG 4.5Å; L1015-L1051 HydrophobicContact CD2-CD2 3.89Å; Q1047-L1051 WeakPolarHBondContact O-CB 3.19Å; Q1047-L1051 PolarHBondContact O-N 3.45Å; M1048-L1051 PolarHBondContact O-N 3.39Å; M1048-L1051 HydrophobicContact SD-CD2 4.25Å; L1051-R1053 VanDerWaalsContact C-N 3.3Å; L1051-R1053 PolarHBondContact O-N 2.97Å; L1051-Q1054 PolarHBondContact O-N 3.29Å; L1051-H1055 WeakPolarHBondContact CD1-NE2 3.42Å; L1051-H1055 WeakPolarHBondContact O-CB 3.44Å; L1051-H1055 PolarHBondContact O-N 3.12Å
1052	V	86.9	Confident	86.3	Confident	38 Å²	38	62 Å²	62	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-44.3	174.8	171.6	0	0	0	0	111.1	M1048 C1049 E1050 T1056 T1208 I1210	M1048-V1052 HydrophobicContact CG-CG2 4.42Å; M1048-V1052 WeakPolarHBondContact O-CB 3.33Å; M1048-V1052 WeakPolarHBondContact O-CG2 3.45Å; M1048-V1052 PolarHBondContact O-N 2.85Å; C1049-V1052 PolarHBondContact O-N 3.02Å; E1050-V1052 PolarHBondContact O-N 3.34Å; V1052-T1056 WeakPolarHBondContact O-CB 3.44Å; V1052-T1056 PolarHBondContact O-N 3.12Å; V1052-T1056 PolarHBondContact O-OG1 2.91Å; V1052-T1208 HydrophobicContact CG1-CG2 3.72Å; V1052-I1210 VanDerWaalsContact CA-CD1 3.42Å; V1052-I1210 HydrophobicContact CB-CD1 3.59Å; V1052-I1210 HydrophobicContact CG1-CD1 3.83Å; V1052-I1210 HydrophobicContact CG2-CD1 3.21Å; V1052-I1210 HydrophobicContact CG2-CG1 4.49Å
1053	R	85.9	Confident	86.8	Confident	125 Å²	125	60.3 Å²	60.3	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-47.9	177.7	-166.9	-176.2	72	82.3	-4.5	111.2	C1049 E1050 L1051 T1056 D1057	C1049-R1053 PolarHBondContact O-N 3.45Å; E1050-R1053 WeakPolarHBondContact O-CB 3.14Å; E1050-R1053 PolarHBondContact O-N 3.39Å; E1050-R1053 IonicContact OE1-CZ 3.08Å; E1050-R1053 IonicContact OE1-NE 3.91Å; E1050-R1053 IonicContact OE1-NH2 2.9Å; E1050-R1053 PolarHBondContact OE1-NH2 3.07Å; E1050-R1053 IonicContact OE2-CZ 2.68Å; E1050-R1053 IonicContact OE2-NE 2.67Å; E1050-R1053 PolarHBondContact OE2-NE 2.94Å; E1050-R1053 IonicContact OE2-NH2 3.26Å; E1050-R1053 PolarHBondContact OE2-NH2 3.48Å; L1051-R1053 VanDerWaalsContact C-N 3.3Å; L1051-R1053 PolarHBondContact O-N 2.97Å; R1053-T1056 WeakPolarHBondContact O-CB 3.42Å; R1053-T1056 PolarHBondContact O-N 2.97Å; R1053-D1057 IonicContact NH1-OD2 3.53Å; R1053-D1057 PolarHBondContact NH1-OD2 2.99Å; R1053-D1057 PolarHBondContact O-N 3.43Å
1054	Q	87.5	Confident	87.2	Confident	86 Å²	86	59.3 Å²	59.3	40%	0.402	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-44.3	178.7	-70.2	177.2	14.5	0	0	112.5	E1050 L1051 T1056 D1057 Q1058	E1050-Q1054 WeakPolarHBondContact O-CG 3.29Å; E1050-Q1054 PolarHBondContact O-N 2.95Å; E1050-Q1054 PolarHBondContact OE1-NE2 3.46Å; L1051-Q1054 PolarHBondContact O-N 3.29Å; Q1054-T1056 VanDerWaalsContact C-N 3.31Å; Q1054-T1056 PolarHBondContact O-N 3.09Å; Q1054-D1057 PolarHBondContact O-N 3.47Å; Q1054-Q1058 WeakPolarHBondContact O-CB 3.37Å; Q1054-Q1058 VanDerWaalsContact O-CG 3.3Å; Q1054-Q1058 WeakPolarHBondContact O-CG 3.29Å; Q1054-Q1058 PolarHBondContact O-N 2.98Å
1055	H	90.3	Very high	87.5	Confident	7 Å²	7	60.8 Å²	60.8	3%	0.032	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-39.6	175.9	-72.7	-178.9	0	0	0	111.8	H1008 L1051 Q1058 W1059	H1008-H1055 VanDerWaalsContact CA-CE1 3.49Å; H1008-H1055 WeakPolarHBondContact CA-CE1 3.37Å; H1008-H1055 AromaticContact CD2-CD2 3.24Å; H1008-H1055 PolarHBondContact CD2-CD2 3.43Å; H1008-H1055 AromaticContact CD2-CE1 3.91Å; H1008-H1055 AromaticContact CD2-CG 3.61Å; H1008-H1055 AromaticContact CD2-ND1 3.99Å; H1008-H1055 AromaticContact CD2-NE2 3.45Å; H1008-H1055 PolarHBondContact CD2-NE2 3.48Å; H1008-H1055 AromaticContact CE1-CG 3.82Å; H1008-H1055 PolarHBondContact CE1-O 3Å; H1008-H1055 AromaticContact CG-CD2 3.69Å; H1008-H1055 AromaticContact CG-CE1 3.8Å; H1008-H1055 AromaticContact CG-CG 3.56Å; H1008-H1055 AromaticContact CG-ND1 3.63Å; H1008-H1055 AromaticContact CG-NE2 3.82Å; H1008-H1055 AromaticContact ND1-CG 3.72Å; H1008-H1055 AromaticContact NE2-CD2 3.48Å; H1008-H1055 PolarHBondContact NE2-CD2 3.35Å; H1008-H1055 AromaticContact NE2-CG 3.76Å; H1008-H1055 PolarHBondContact O-CE1 3.32Å; L1051-H1055 WeakPolarHBondContact CD1-NE2 3.42Å; L1051-H1055 WeakPolarHBondContact O-CB 3.44Å; L1051-H1055 PolarHBondContact O-N 3.12Å; H1055-Q1058 PolarHBondContact O-N 3.09Å; H1055-W1059 WeakPolarHBondContact O-CB 3.45Å; H1055-W1059 PolarHBondContact O-N 2.92Å
1056	T	87	Confident	87.9	Confident	13 Å²	13	56 Å²	56	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-47.2	176.7	-55.9	0	0	0	0	111.4	V1052 R1053 Q1054 Q1058 W1059 S1060 R1206 T1208	V1052-T1056 WeakPolarHBondContact O-CB 3.44Å; V1052-T1056 PolarHBondContact O-N 3.12Å; V1052-T1056 PolarHBondContact O-OG1 2.91Å; R1053-T1056 WeakPolarHBondContact O-CB 3.42Å; R1053-T1056 PolarHBondContact O-N 2.97Å; Q1054-T1056 VanDerWaalsContact C-N 3.31Å; Q1054-T1056 PolarHBondContact O-N 3.09Å; T1056-Q1058 VanDerWaalsContact C-N 3.35Å; T1056-Q1058 PolarHBondContact O-N 2.67Å; T1056-W1059 PolarHBondContact O-N 3.1Å; T1056-S1060 WeakPolarHBondContact O-CB 3.31Å; T1056-S1060 PolarHBondContact O-N 2.79Å; T1056-S1060 PolarHBondContact O-OG 3.36Å; T1056-R1206 HydrophobicContact CG2-CB 4.37Å; T1056-T1208 HydrophobicContact CG2-CG2 4.4Å; T1056-T1208 WeakPolarHBondContact OG1-CG2 3.44Å
1057	D	86.8	Confident	88.2	Confident	53 Å²	53	52.6 Å²	52.6	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-42.2	178.6	-71.5	-24.5	0	0	0	111.2	R1053 Q1054 S1061	R1053-D1057 IonicContact NH1-OD2 3.53Å; R1053-D1057 PolarHBondContact NH1-OD2 2.99Å; R1053-D1057 PolarHBondContact O-N 3.43Å; Q1054-D1057 PolarHBondContact O-N 3.47Å; D1057-S1061 VanDerWaalsContact O-CB 3.26Å; D1057-S1061 WeakPolarHBondContact O-CB 3.34Å; D1057-S1061 PolarHBondContact O-N 2.97Å
1058	Q	88.2	Confident	88.5	Confident	92 Å²	92	53.5 Å²	53.5	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-45.1	176.1	-74	177.4	-5.3	0	0	112.5	M1004 H1008 Q1054 H1055 T1056 S1061 L1062	M1004-Q1058 HydrophobicContact CE-CB 4.24Å; M1004-Q1058 HydrophobicContact SD-CB 4.21Å; H1008-Q1058 PolarHBondContact NE2-OE1 3.35Å; Q1054-Q1058 WeakPolarHBondContact O-CB 3.37Å; Q1054-Q1058 VanDerWaalsContact O-CG 3.3Å; Q1054-Q1058 WeakPolarHBondContact O-CG 3.29Å; Q1054-Q1058 PolarHBondContact O-N 2.98Å; H1055-Q1058 PolarHBondContact O-N 3.09Å; T1056-Q1058 VanDerWaalsContact C-N 3.35Å; T1056-Q1058 PolarHBondContact O-N 2.67Å; Q1058-S1061 PolarHBondContact O-N 3.28Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.4Å; Q1058-L1062 PolarHBondContact O-N 2.82Å
1059	W	89.3	Confident	88.9	Confident	43 Å²	43	55.3 Å²	55.3	16%	0.163	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-44.6	179.4	-178	-98.6	0	0	0	112.2	A1001 M1004 H1055 T1056 S1061 L1062 K1063 V1209	A1001-W1059 HydrophobicContact CB-CH2 3.92Å; A1001-W1059 HydrophobicContact CB-CZ3 4.03Å; M1004-W1059 HydrophobicContact SD-CE3 4.13Å; H1055-W1059 WeakPolarHBondContact O-CB 3.45Å; H1055-W1059 PolarHBondContact O-N 2.92Å; T1056-W1059 PolarHBondContact O-N 3.1Å; W1059-S1061 VanDerWaalsContact C-N 3.33Å; W1059-S1061 PolarHBondContact O-N 2.87Å; W1059-L1062 PolarHBondContact O-N 3.09Å; W1059-K1063 VanDerWaalsContact CZ2-CE 3.42Å; W1059-K1063 WeakPolarHBondContact O-CG 3.47Å; W1059-K1063 PolarHBondContact O-N 3.05Å; W1059-V1209 HydrophobicContact CB-CG2 4.01Å; W1059-V1209 HydrophobicContact CD2-CG2 3.6Å; W1059-V1209 HydrophobicContact CE3-CG2 4.31Å; W1059-V1209 HydrophobicContact CG-CG2 3.41Å; W1059-V1209 VanDerWaalsContact CG-CG2 3.41Å; W1059-V1209 HydrophobicContact CZ2-CG2 4.45Å
1060	S	87.7	Confident	89.2	Confident	29 Å²	29	54 Å²	54	20%	0.203	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-42	175.9	-71.5	0	0	0	0	111.7	T1056 K1063 S1064	T1056-S1060 WeakPolarHBondContact O-CB 3.31Å; T1056-S1060 PolarHBondContact O-N 2.79Å; T1056-S1060 PolarHBondContact O-OG 3.36Å; S1060-K1063 PolarHBondContact O-N 3.04Å; S1060-S1064 WeakPolarHBondContact O-CB 3.24Å; S1060-S1064 PolarHBondContact O-N 2.8Å
1061	S	87.9	Confident	89.5	Confident	73 Å²	73	52.7 Å²	52.7	51%	0.51	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-44.3	175.6	-176.3	0	0	0	0	112.2	D1057 Q1058 W1059 K1063 S1064 T1065	D1057-S1061 VanDerWaalsContact O-CB 3.26Å; D1057-S1061 WeakPolarHBondContact O-CB 3.34Å; D1057-S1061 PolarHBondContact O-N 2.97Å; Q1058-S1061 PolarHBondContact O-N 3.28Å; W1059-S1061 VanDerWaalsContact C-N 3.33Å; W1059-S1061 PolarHBondContact O-N 2.87Å; S1061-K1063 PolarHBondContact O-N 2.95Å; S1061-S1064 PolarHBondContact O-N 2.69Å; S1061-T1065 WeakPolarHBondContact O-CB 3.31Å; S1061-T1065 PolarHBondContact O-N 3.42Å; S1061-T1065 PolarHBondContact O-OG1 3.06Å
1062	L	90.7	Very high	89.8	Confident	33 Å²	33	56.9 Å²	56.9	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-49.1	176	-179.2	67.8	0	0	0	111.1	A1001 M1004 Q1058 W1059 S1064 T1065 Q1066	A1001-L1062 HydrophobicContact CB-CD2 4.3Å; M1004-L1062 HydrophobicContact CB-CD2 4.31Å; M1004-L1062 HydrophobicContact CE-CB 3.97Å; M1004-L1062 HydrophobicContact CE-CD2 3.93Å; M1004-L1062 HydrophobicContact CE-CG 4.38Å; M1004-L1062 HydrophobicContact SD-CB 4.17Å; M1004-L1062 HydrophobicContact SD-CD2 3.8Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.4Å; Q1058-L1062 PolarHBondContact O-N 2.82Å; W1059-L1062 PolarHBondContact O-N 3.09Å; L1062-S1064 PolarHBondContact O-N 2.82Å; L1062-T1065 PolarHBondContact O-N 3.01Å; L1062-Q1066 HydrophobicContact CD1-CG 4.38Å; L1062-Q1066 HydrophobicContact CG-CG 4.41Å; L1062-Q1066 WeakPolarHBondContact O-CB 3.32Å; L1062-Q1066 VanDerWaalsContact O-CG 3.26Å; L1062-Q1066 WeakPolarHBondContact O-CG 3.4Å; L1062-Q1066 PolarHBondContact O-N 3.22Å
1063	K	89.5	Confident	90.2	Very high	67 Å²	67	57 Å²	57	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-39.5	-178.7	-71.5	-69.1	167.3	-159.6	0	112.9	W1059 S1060 S1061 Q1066 M1067	W1059-K1063 VanDerWaalsContact CZ2-CE 3.42Å; W1059-K1063 WeakPolarHBondContact O-CG 3.47Å; W1059-K1063 PolarHBondContact O-N 3.05Å; S1060-K1063 PolarHBondContact O-N 3.04Å; S1061-K1063 PolarHBondContact O-N 2.95Å; K1063-Q1066 PolarHBondContact O-N 3.2Å; K1063-M1067 WeakPolarHBondContact O-CB 3.32Å; K1063-M1067 PolarHBondContact O-N 3.02Å
1064	S	87	Confident	90.6	Very high	51 Å²	51	52.1 Å²	52.1	36%	0.357	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-45.3	173.7	-177.1	0	0	0	0	111.7	S1060 S1061 L1062 M1067 K1068	S1060-S1064 WeakPolarHBondContact O-CB 3.24Å; S1060-S1064 PolarHBondContact O-N 2.8Å; S1061-S1064 PolarHBondContact O-N 2.69Å; L1062-S1064 PolarHBondContact O-N 2.82Å; S1064-M1067 PolarHBondContact O-N 2.58Å; S1064-K1068 PolarHBondContact O-N 3.38Å
1065	T	90	Very high	90.9	Very high	68 Å²	68	49 Å²	49	42%	0.417	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-47.1	176.8	-54.3	0	0	0	0	111.4	S1061 L1062 M1067 K1068 E1069	S1061-T1065 WeakPolarHBondContact O-CB 3.31Å; S1061-T1065 PolarHBondContact O-N 3.42Å; S1061-T1065 PolarHBondContact O-OG1 3.06Å; L1062-T1065 PolarHBondContact O-N 3.01Å; T1065-M1067 VanDerWaalsContact C-N 3.31Å; T1065-M1067 PolarHBondContact O-N 3.44Å; T1065-K1068 PolarHBondContact O-N 2.99Å; T1065-E1069 WeakPolarHBondContact O-CG 3.31Å; T1065-E1069 PolarHBondContact O-N 3.43Å
1066	Q	92.4	Very high	91.1	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-42	178.1	-72.7	-176.6	-12.6	0	0	112.2	Q997 L1062 K1063 E1069 V1070	Q997-Q1066 HydrophobicContact CB-CG 3.99Å; Q997-Q1066 HydrophobicContact CG-CB 4.18Å; Q997-Q1066 HydrophobicContact CG-CG 3.73Å; Q997-Q1066 VanDerWaalsContact NE2-CA 3.33Å; Q997-Q1066 PolarHBondContact NE2-O 3.33Å; Q997-Q1066 PolarHBondContact O-NE2 3.28Å; L1062-Q1066 HydrophobicContact CD1-CG 4.38Å; L1062-Q1066 HydrophobicContact CG-CG 4.41Å; L1062-Q1066 WeakPolarHBondContact O-CB 3.32Å; L1062-Q1066 VanDerWaalsContact O-CG 3.26Å; L1062-Q1066 WeakPolarHBondContact O-CG 3.4Å; L1062-Q1066 PolarHBondContact O-N 3.22Å; K1063-Q1066 PolarHBondContact O-N 3.2Å; Q1066-E1069 PolarHBondContact O-N 3.45Å; Q1066-V1070 WeakPolarHBondContact O-CG2 3.06Å; Q1066-V1070 PolarHBondContact O-N 3.49Å
1067	M	90.6	Very high	91.5	Very high	37 Å²	37	51 Å²	51	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-41.2	178.4	-162.5	-173.4	155.3	0	0	111.6	K1063 S1064 T1065 V1070 Y1071 Y1197 D1200 L1201	K1063-M1067 WeakPolarHBondContact O-CB 3.32Å; K1063-M1067 PolarHBondContact O-N 3.02Å; S1064-M1067 PolarHBondContact O-N 2.58Å; T1065-M1067 VanDerWaalsContact C-N 3.31Å; T1065-M1067 PolarHBondContact O-N 3.44Å; M1067-V1070 PolarHBondContact O-N 2.98Å; M1067-Y1071 WeakPolarHBondContact O-CB 3.49Å; M1067-Y1071 PolarHBondContact O-N 2.76Å; M1067-Y1197 HydrophobicContact CE-CD2 3.48Å; M1067-Y1197 VanDerWaalsContact CE-CD2 3.48Å; M1067-Y1197 HydrophobicContact CE-CE2 3.59Å; M1067-Y1197 HydrophobicContact CE-CG 4.35Å; M1067-Y1197 WeakPolarHBondContact CE-O 3.45Å; M1067-Y1197 HydrophobicContact CG-CD2 4.33Å; M1067-Y1197 HydrophobicContact CG-CE2 3.84Å; M1067-Y1197 HydrophobicContact SD-CE2 4.31Å; M1067-D1200 HydrophobicContact CE-CB 3.26Å; M1067-L1201 HydrophobicContact CE-CB 4.38Å; M1067-L1201 HydrophobicContact CE-CG 3.9Å; M1067-L1201 HydrophobicContact SD-CG 4.39Å
1068	K	92.3	Very high	91.8	Very high	112 Å²	112	49.1 Å²	49.1	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-43.1	175.7	-172.5	178.9	175.7	-175.5	0	112.6	S1064 T1065 V1070 Y1071 E1072	S1064-K1068 PolarHBondContact O-N 3.38Å; T1065-K1068 PolarHBondContact O-N 2.99Å; K1068-V1070 VanDerWaalsContact C-N 3.33Å; K1068-V1070 PolarHBondContact O-N 3.48Å; K1068-Y1071 WeakPolarHBondContact O-CB 3.47Å; K1068-Y1071 PolarHBondContact O-N 3.44Å; K1068-E1072 WeakPolarHBondContact CE-OE1 3.08Å; K1068-E1072 IonicContact NZ-OE1 2.86Å; K1068-E1072 PolarHBondContact O-N 3.11Å
1069	E	93.9	Very high	92	Very high	72 Å²	72	48.2 Å²	48.2	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-42.3	176.5	-72.9	178.5	170.2	0	0	112.2	L993 Q997 T1065 Q1066 Y1071 L1073	L993-E1069 HydrophobicContact CD2-CB 4.32Å; Q997-E1069 PolarHBondContact NE2-OE2 3.27Å; T1065-E1069 WeakPolarHBondContact O-CG 3.31Å; T1065-E1069 PolarHBondContact O-N 3.43Å; Q1066-E1069 PolarHBondContact O-N 3.45Å; E1069-Y1071 VanDerWaalsContact C-N 3.34Å; E1069-L1073 WeakPolarHBondContact O-CB 3.23Å; E1069-L1073 PolarHBondContact O-N 2.9Å
1070	V	93.6	Very high	92.2	Very high	33 Å²	33	48.5 Å²	48.5	20%	0.2	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-41.8	176	169	0	0	0	0	110.8	L990 L993 Q1066 M1067 K1068 L1073 V1074	L990-V1070 HydrophobicContact CD1-CG1 3.93Å; L990-V1070 HydrophobicContact CD1-CG2 4.41Å; L993-V1070 HydrophobicContact CD2-CG2 3.86Å; Q1066-V1070 WeakPolarHBondContact O-CG2 3.06Å; Q1066-V1070 PolarHBondContact O-N 3.49Å; M1067-V1070 PolarHBondContact O-N 2.98Å; K1068-V1070 VanDerWaalsContact C-N 3.33Å; K1068-V1070 PolarHBondContact O-N 3.48Å; V1070-L1073 PolarHBondContact O-N 3.1Å; V1070-V1074 HydrophobicContact CG1-CG2 4.38Å; V1070-V1074 VanDerWaalsContact O-CG2 3.29Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.44Å; V1070-V1074 PolarHBondContact O-N 3.12Å
1071	Y	93.4	Very high	92.4	Very high	45 Å²	45	49.5 Å²	49.5	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-51	177.2	171.3	-104.8	0	0	0	112.4	M1067 K1068 E1069 L1073 V1074 L1075 F1193 I1194 Y1197	M1067-Y1071 WeakPolarHBondContact O-CB 3.49Å; M1067-Y1071 PolarHBondContact O-N 2.76Å; K1068-Y1071 WeakPolarHBondContact O-CB 3.47Å; K1068-Y1071 PolarHBondContact O-N 3.44Å; E1069-Y1071 VanDerWaalsContact C-N 3.34Å; Y1071-L1073 VanDerWaalsContact C-N 3.34Å; Y1071-L1073 PolarHBondContact O-N 3.46Å; Y1071-V1074 PolarHBondContact O-N 3.34Å; Y1071-L1075 HydrophobicContact CD1-CD1 4.02Å; Y1071-L1075 HydrophobicContact CD2-CD1 4.49Å; Y1071-L1075 HydrophobicContact CD2-CG 4.46Å; Y1071-L1075 HydrophobicContact CE1-CD1 3.44Å; Y1071-L1075 VanDerWaalsContact CE1-CD1 3.44Å; Y1071-L1075 HydrophobicContact CE1-CG 4.37Å; Y1071-L1075 HydrophobicContact CE2-CD1 3.98Å; Y1071-L1075 HydrophobicContact CE2-CD2 4.37Å; Y1071-L1075 HydrophobicContact CE2-CG 4.17Å; Y1071-L1075 VanDerWaalsContact CZ-CD1 3.44Å; Y1071-L1075 WeakPolarHBondContact O-CG 3.26Å; Y1071-L1075 PolarHBondContact O-N 3.3Å; Y1071-F1193 HydrophobicContact CD2-CD1 4.31Å; Y1071-F1193 AromaticContact CD2-CE1 3.59Å; Y1071-F1193 HydrophobicContact CD2-CE1 3.59Å; Y1071-F1193 HydrophobicContact CD2-CZ 4.3Å; Y1071-F1193 HydrophobicContact CE2-CD1 4.45Å; Y1071-F1193 HydrophobicContact CE2-CE1 4.16Å; Y1071-F1193 HydrophobicContact CG-CE1 4.49Å; Y1071-I1194 HydrophobicContact CE2-CG1 4.02Å; Y1071-Y1197 HydrophobicContact CD1-CD1 4.18Å; Y1071-Y1197 AromaticContact CD1-CE1 3.81Å; Y1071-Y1197 HydrophobicContact CD1-CE1 3.81Å; Y1071-Y1197 HydrophobicContact CD1-CE2 4.45Å; Y1071-Y1197 AromaticContact CD1-CZ 3.98Å; Y1071-Y1197 AromaticContact CD2-CD1 3.34Å; Y1071-Y1197 HydrophobicContact CD2-CD1 3.34Å; Y1071-Y1197 AromaticContact CD2-CD2 3.63Å; Y1071-Y1197 HydrophobicContact CD2-CD2 3.63Å; Y1071-Y1197 AromaticContact CD2-CE1 3.83Å; Y1071-Y1197 HydrophobicContact CD2-CE1 3.83Å; Y1071-Y1197 HydrophobicContact CD2-CE2 4.09Å; Y1071-Y1197 AromaticContact CD2-CG 3.22Å; Y1071-Y1197 HydrophobicContact CD2-CG 3.22Å; Y1071-Y1197 HydrophobicContact CE1-CD1 4.23Å; Y1071-Y1197 HydrophobicContact CE1-CE1 4.01Å; Y1071-Y1197 AromaticContact CE2-CD1 3.4Å; Y1071-Y1197 HydrophobicContact CE2-CD1 3.4Å; Y1071-Y1197 HydrophobicContact CE2-CD2 4.48Å; Y1071-Y1197 HydrophobicContact CE2-CE1 4.02Å; Y1071-Y1197 AromaticContact CE2-CG 3.67Å; Y1071-Y1197 HydrophobicContact CE2-CG 3.67Å; Y1071-Y1197 AromaticContact CG-CD1 3.74Å; Y1071-Y1197 HydrophobicContact CG-CD1 3.74Å; Y1071-Y1197 AromaticContact CG-CD2 3.78Å; Y1071-Y1197 HydrophobicContact CG-CD2 3.78Å; Y1071-Y1197 AromaticContact CG-CE1 3.7Å; Y1071-Y1197 HydrophobicContact CG-CE1 3.7Å; Y1071-Y1197 AromaticContact CG-CE2 3.75Å; Y1071-Y1197 HydrophobicContact CG-CE2 3.75Å; Y1071-Y1197 AromaticContact CG-CG 3.77Å; Y1071-Y1197 HydrophobicContact CG-CG 3.77Å; Y1071-Y1197 AromaticContact CG-CZ 3.72Å; Y1071-Y1197 AromaticContact CZ-CD1 3.84Å
1072	E	94.7	Very high	92.7	Very high	105 Å²	105	49.7 Å²	49.7	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-41.4	179.2	-70.8	178.3	174.2	0	0	111.8	K1068 L1075 S1076	K1068-E1072 WeakPolarHBondContact CE-OE1 3.08Å; K1068-E1072 IonicContact NZ-OE1 2.86Å; K1068-E1072 PolarHBondContact O-N 3.11Å; E1072-L1075 PolarHBondContact O-N 2.73Å; E1072-S1076 PolarHBondContact O-N 2.81Å; E1072-S1076 VanDerWaalsContact O-N 3.11Å
1073	L	95.2	Very high	92.8	Very high	42 Å²	42	54.8 Å²	54.8	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-46.3	176.9	-177.8	62.5	0	0	0	111.6	L990 L993 E1069 V1070 Y1071 L1075 S1076 F1077	L990-L1073 HydrophobicContact CD1-CD2 4.49Å; L993-L1073 HydrophobicContact CB-CD2 4.36Å; L993-L1073 HydrophobicContact CD2-CB 4.44Å; L993-L1073 HydrophobicContact CD2-CD2 3.72Å; E1069-L1073 WeakPolarHBondContact O-CB 3.23Å; E1069-L1073 PolarHBondContact O-N 2.9Å; V1070-L1073 PolarHBondContact O-N 3.1Å; Y1071-L1073 VanDerWaalsContact C-N 3.34Å; Y1071-L1073 PolarHBondContact O-N 3.46Å; L1073-L1075 VanDerWaalsContact C-N 3.34Å; L1073-L1075 PolarHBondContact O-N 3Å; L1073-S1076 WeakPolarHBondContact O-CB 3.49Å; L1073-S1076 PolarHBondContact O-N 3.26Å; L1073-S1076 PolarHBondContact O-OG 2.74Å; L1073-F1077 HydrophobicContact CD1-CD1 4.43Å; L1073-F1077 HydrophobicContact CD1-CE1 3.6Å; L1073-F1077 HydrophobicContact CD1-CZ 3.83Å; L1073-F1077 HydrophobicContact CD2-CZ 3.94Å; L1073-F1077 HydrophobicContact CG-CE1 3.84Å; L1073-F1077 HydrophobicContact CG-CE2 4.19Å; L1073-F1077 HydrophobicContact CG-CZ 3.61Å; L1073-F1077 WeakPolarHBondContact O-CD1 3.27Å; L1073-F1077 WeakPolarHBondContact O-CG 3.49Å; L1073-F1077 PolarHBondContact O-N 3.33Å
1074	V	94.2	Very high	92.9	Very high	21 Å²	21	53.1 Å²	53.1	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-68.9	-32.8	180	175.8	0	0	0	0	111.7	L990 V1070 Y1071 S1076 F1077 F1078 F1193	L990-V1074 HydrophobicContact CD1-CG2 4.34Å; V1070-V1074 HydrophobicContact CG1-CG2 4.38Å; V1070-V1074 VanDerWaalsContact O-CG2 3.29Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.44Å; V1070-V1074 PolarHBondContact O-N 3.12Å; Y1071-V1074 PolarHBondContact O-N 3.34Å; V1074-S1076 VanDerWaalsContact C-N 3.34Å; V1074-S1076 PolarHBondContact O-N 3.33Å; V1074-F1077 HydrophobicContact CG2-CD2 4.4Å; V1074-F1077 VanDerWaalsContact O-CB 3.31Å; V1074-F1077 WeakPolarHBondContact O-CB 3.36Å; V1074-F1077 PolarHBondContact O-N 3.07Å; V1074-F1077 VanDerWaalsContact O-N 3.12Å; V1074-F1078 HydrophobicContact CG1-CD2 4.32Å; V1074-F1078 HydrophobicContact CG1-CE2 3.78Å; V1074-F1078 VanDerWaalsContact O-CD2 3.25Å; V1074-F1078 WeakPolarHBondContact O-CD2 3.38Å; V1074-F1078 PolarHBondContact O-N 2.91Å; V1074-F1193 HydrophobicContact CB-CE1 3.71Å; V1074-F1193 HydrophobicContact CB-CE2 4.14Å; V1074-F1193 HydrophobicContact CB-CZ 3.49Å; V1074-F1193 VanDerWaalsContact CB-CZ 3.49Å; V1074-F1193 HydrophobicContact CG1-CD1 3.97Å; V1074-F1193 HydrophobicContact CG1-CD2 4.01Å; V1074-F1193 HydrophobicContact CG1-CE1 3.6Å; V1074-F1193 HydrophobicContact CG1-CE2 3.65Å; V1074-F1193 HydrophobicContact CG1-CG 4.16Å; V1074-F1193 HydrophobicContact CG1-CZ 3.44Å; V1074-F1193 VanDerWaalsContact CG1-CZ 3.44Å; V1074-F1193 HydrophobicContact CG2-CE2 4.46Å; V1074-F1193 HydrophobicContact CG2-CZ 4.04Å
1075	L	94	Very high	93.2	Very high	22 Å²	22	50.7 Å²	50.7	12%	0.115	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-44.7	170.9	-73.9	-178.9	0	0	0	111.7	Y1071 E1072 L1073 F1077 F1078 D1079 R1190 F1193 I1194	Y1071-L1075 HydrophobicContact CD1-CD1 4.02Å; Y1071-L1075 HydrophobicContact CD2-CD1 4.49Å; Y1071-L1075 HydrophobicContact CD2-CG 4.46Å; Y1071-L1075 HydrophobicContact CE1-CD1 3.44Å; Y1071-L1075 VanDerWaalsContact CE1-CD1 3.44Å; Y1071-L1075 HydrophobicContact CE1-CG 4.37Å; Y1071-L1075 HydrophobicContact CE2-CD1 3.98Å; Y1071-L1075 HydrophobicContact CE2-CD2 4.37Å; Y1071-L1075 HydrophobicContact CE2-CG 4.17Å; Y1071-L1075 VanDerWaalsContact CZ-CD1 3.44Å; Y1071-L1075 WeakPolarHBondContact O-CG 3.26Å; Y1071-L1075 PolarHBondContact O-N 3.3Å; E1072-L1075 PolarHBondContact O-N 2.73Å; L1073-L1075 VanDerWaalsContact C-N 3.34Å; L1073-L1075 PolarHBondContact O-N 3Å; L1075-F1077 PolarHBondContact O-N 2.82Å; L1075-F1078 PolarHBondContact O-N 2.88Å; L1075-F1078 VanDerWaalsContact O-N 3.12Å; L1075-D1079 PolarHBondContact O-N 2.79Å; L1075-R1190 HydrophobicContact CD2-CG 3.97Å; L1075-F1193 HydrophobicContact CD2-CD1 4.29Å; L1075-I1194 HydrophobicContact CD2-CD1 4.09Å; L1075-I1194 HydrophobicContact CD2-CG1 3.91Å
1076	S	94.3	Very high	93.4	Very high	50 Å²	50	48.7 Å²	48.7	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-27.6	176	81.4	0	0	0	0	113.1	E1072 L1073 V1074 S1080	E1072-S1076 PolarHBondContact O-N 2.81Å; E1072-S1076 VanDerWaalsContact O-N 3.11Å; L1073-S1076 WeakPolarHBondContact O-CB 3.49Å; L1073-S1076 PolarHBondContact O-N 3.26Å; L1073-S1076 PolarHBondContact O-OG 2.74Å; V1074-S1076 VanDerWaalsContact C-N 3.34Å; V1074-S1076 PolarHBondContact O-N 3.33Å; S1076-S1080 PolarHBondContact O-N 3.5Å; S1076-S1080 VanDerWaalsContact O-N 3.1Å; S1076-S1080 PolarHBondContact O-OG 3.31Å
1077	F	95.7	Very high	93.4	Very high	10 Å²	10	53.7 Å²	53.7	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-37.1	175.8	-67.2	-9.8	0	0	0	112.6	Q986 E989 L990 L1073 V1074 L1075 R1081	Q986-F1077 HydrophobicContact CB-CD1 4.18Å; Q986-F1077 HydrophobicContact CB-CD2 3.71Å; Q986-F1077 HydrophobicContact CB-CE1 4.11Å; Q986-F1077 HydrophobicContact CB-CE2 3.65Å; Q986-F1077 HydrophobicContact CB-CG 3.98Å; Q986-F1077 HydrophobicContact CB-CZ 3.85Å; Q986-F1077 HydrophobicContact CG-CB 4.2Å; Q986-F1077 HydrophobicContact CG-CD1 3.6Å; Q986-F1077 HydrophobicContact CG-CD2 3.96Å; Q986-F1077 HydrophobicContact CG-CE1 3.83Å; Q986-F1077 HydrophobicContact CG-CE2 4.18Å; Q986-F1077 HydrophobicContact CG-CG 3.65Å; Q986-F1077 HydrophobicContact CG-CZ 4.11Å; Q986-F1077 PolarHBondContact NE2-O 3.13Å; Q986-F1077 VanDerWaalsContact NE2-O 3.1Å; Q986-F1077 WeakPolarHBondContact O-CE2 3.27Å; Q986-F1077 WeakPolarHBondContact O-CZ 3.47Å; E989-F1077 HydrophobicContact CB-CZ 3.96Å; E989-F1077 WeakPolarHBondContact OE2-CE1 3.33Å; L990-F1077 HydrophobicContact CB-CE2 4.41Å; L1073-F1077 HydrophobicContact CD1-CD1 4.43Å; L1073-F1077 HydrophobicContact CD1-CE1 3.6Å; L1073-F1077 HydrophobicContact CD1-CZ 3.83Å; L1073-F1077 HydrophobicContact CD2-CZ 3.94Å; L1073-F1077 HydrophobicContact CG-CE1 3.84Å; L1073-F1077 HydrophobicContact CG-CE2 4.19Å; L1073-F1077 HydrophobicContact CG-CZ 3.61Å; L1073-F1077 WeakPolarHBondContact O-CD1 3.27Å; L1073-F1077 WeakPolarHBondContact O-CG 3.49Å; L1073-F1077 PolarHBondContact O-N 3.33Å; V1074-F1077 HydrophobicContact CG2-CD2 4.4Å; V1074-F1077 VanDerWaalsContact O-CB 3.31Å; V1074-F1077 WeakPolarHBondContact O-CB 3.36Å; V1074-F1077 PolarHBondContact O-N 3.07Å; V1074-F1077 VanDerWaalsContact O-N 3.12Å; L1075-F1077 PolarHBondContact O-N 2.82Å; F1077-R1081 WeakPolarHBondContact O-CB 3.48Å; F1077-R1081 VanDerWaalsContact O-CG 3.24Å; F1077-R1081 WeakPolarHBondContact O-CG 3.49Å; F1077-R1081 PolarHBondContact O-N 2.92Å
1078	F	94	Very high	93.4	Very high	14 Å²	14	52.3 Å²	52.3	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-41.7	176	-73.1	-67.8	0	0	0	111.7	V1074 L1075 R1081 K1082 I1186 E1189 R1190 F1193	V1074-F1078 HydrophobicContact CG1-CD2 4.32Å; V1074-F1078 HydrophobicContact CG1-CE2 3.78Å; V1074-F1078 VanDerWaalsContact O-CD2 3.25Å; V1074-F1078 WeakPolarHBondContact O-CD2 3.38Å; V1074-F1078 PolarHBondContact O-N 2.91Å; L1075-F1078 PolarHBondContact O-N 2.88Å; L1075-F1078 VanDerWaalsContact O-N 3.12Å; F1078-R1081 PolarHBondContact O-N 3.29Å; F1078-K1082 WeakPolarHBondContact O-CB 3.43Å; F1078-K1082 PolarHBondContact O-N 2.65Å; F1078-I1186 HydrophobicContact CB-CG2 4.4Å; F1078-I1186 HydrophobicContact CD1-CG2 4.29Å; F1078-E1189 HydrophobicContact CD1-CB 4.4Å; F1078-E1189 HydrophobicContact CE1-CB 3.71Å; F1078-E1189 HydrophobicContact CZ-CB 4.41Å; F1078-R1190 HydrophobicContact CB-CB 4.34Å; F1078-R1190 HydrophobicContact CB-CG 4.33Å; F1078-R1190 HydrophobicContact CD1-CB 4.36Å; F1078-R1190 HydrophobicContact CD2-CB 4.16Å; F1078-R1190 HydrophobicContact CD2-CG 4.1Å; F1078-R1190 HydrophobicContact CG-CB 4.05Å; F1078-R1190 HydrophobicContact CG-CG 4.27Å; F1078-F1193 HydrophobicContact CE2-CB 3.73Å; F1078-F1193 AromaticContact CE2-CD1 3.95Å; F1078-F1193 HydrophobicContact CE2-CD1 3.95Å; F1078-F1193 AromaticContact CE2-CG 3.84Å; F1078-F1193 HydrophobicContact CE2-CG 3.84Å; F1078-F1193 HydrophobicContact CZ-CB 3.94Å; F1078-F1193 HydrophobicContact CZ-CG 4.38Å
1079	D	91.9	Very high	93.5	Very high	73 Å²	73	47 Å²	47	39%	0.39	23%	0.233	S	C	.	.	H	α-helix	trans	-63.6	-45.3	177.3	-63.3	-34.4	0	0	0	111	L1075 R1081 K1082 E1083	L1075-D1079 PolarHBondContact O-N 2.79Å; D1079-R1081 VanDerWaalsContact C-N 3.34Å; D1079-R1081 PolarHBondContact O-N 3.07Å; D1079-K1082 WeakPolarHBondContact O-CB 3.45Å; D1079-K1082 PolarHBondContact O-N 3.16Å; D1079-E1083 WeakPolarHBondContact O-CG 3.34Å; D1079-E1083 PolarHBondContact O-N 3.12Å
1080	S	92.6	Very high	93.4	Very high	49 Å²	49	48.4 Å²	48.4	34%	0.343	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-37.9	175.6	-60.2	0	0	0	0	113.1	S1076 L1084	S1076-S1080 PolarHBondContact O-N 3.5Å; S1076-S1080 VanDerWaalsContact O-N 3.1Å; S1076-S1080 PolarHBondContact O-OG 3.31Å; S1080-L1084 WeakPolarHBondContact O-CB 3.49Å; S1080-L1084 PolarHBondContact O-N 3.42Å
1081	R	93.7	Very high	93.3	Very high	51 Å²	51	51.7 Å²	51.7	19%	0.192	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-41.8	175.8	-75.5	171.4	-165.8	-176	3.5	111.2	Y979 L982 I983 Q986 F1077 F1078 D1079 L1084 L1085	Y979-R1081 HydrophobicContact CE2-CB 4.06Å; Y979-R1081 HydrophobicContact CE2-CG 3.95Å; L982-R1081 HydrophobicContact CD2-CG 4.18Å; I983-R1081 HydrophobicContact CD1-CG 4.12Å; I983-R1081 VanDerWaalsContact CD1-CZ 3.41Å; Q986-R1081 VanDerWaalsContact OE1-CZ 3.29Å; F1077-R1081 WeakPolarHBondContact O-CB 3.48Å; F1077-R1081 VanDerWaalsContact O-CG 3.24Å; F1077-R1081 WeakPolarHBondContact O-CG 3.49Å; F1077-R1081 PolarHBondContact O-N 2.92Å; F1078-R1081 PolarHBondContact O-N 3.29Å; D1079-R1081 VanDerWaalsContact C-N 3.34Å; D1079-R1081 PolarHBondContact O-N 3.07Å; R1081-L1084 PolarHBondContact O-N 3.37Å; R1081-L1085 WeakPolarHBondContact O-CB 3.41Å; R1081-L1085 WeakPolarHBondContact O-CG 3.46Å; R1081-L1085 PolarHBondContact O-N 3.21Å
1082	K	93	Very high	93.2	Very high	77 Å²	77	51.8 Å²	51.8	34%	0.335	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-51.2	176.8	-179.2	-173.4	172.6	-172.1	0	111.6	F1078 D1079 L1084 L1085 I1086 I1186	F1078-K1082 WeakPolarHBondContact O-CB 3.43Å; F1078-K1082 PolarHBondContact O-N 2.65Å; D1079-K1082 WeakPolarHBondContact O-CB 3.45Å; D1079-K1082 PolarHBondContact O-N 3.16Å; K1082-L1084 VanDerWaalsContact C-N 3.32Å; K1082-L1084 PolarHBondContact O-N 2.92Å; K1082-L1085 PolarHBondContact O-N 3.26Å; K1082-I1086 HydrophobicContact CG-CD1 3.87Å; K1082-I1086 VanDerWaalsContact O-CG1 3.31Å; K1082-I1086 WeakPolarHBondContact O-CG1 3.42Å; K1082-I1086 PolarHBondContact O-N 3.25Å; K1082-I1186 HydrophobicContact CB-CD1 3.76Å; K1082-I1186 HydrophobicContact CB-CG2 4.21Å; K1082-I1186 HydrophobicContact CG-CD1 4.17Å
1083	E	92.9	Very high	93	Very high	140 Å²	140	47.4 Å²	47.4	65%	0.654	24%	0.236	S	C	*	.	H	α-helix	trans	-59.3	-44.1	179.3	-71.5	178.4	178.9	0	0	111.9	D1079 K1087	D1079-E1083 WeakPolarHBondContact O-CG 3.34Å; D1079-E1083 PolarHBondContact O-N 3.12Å; E1083-K1087 WeakPolarHBondContact O-CB 3.3Å; E1083-K1087 PolarHBondContact O-N 2.69Å
1084	L	92.7	Very high	92.9	Very high	32 Å²	32	49.2 Å²	49.2	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-68	-41.8	179.8	-175.5	59.3	0	0	0	112.5	M978 Y979 L982 S1080 R1081 K1082 K1087 I1088	M978-L1084 HydrophobicContact CB-CD1 4.25Å; M978-L1084 HydrophobicContact CB-CD2 4.27Å; M978-L1084 HydrophobicContact CE-CD1 4.45Å; Y979-L1084 HydrophobicContact CD2-CD2 4.5Å; L982-L1084 HydrophobicContact CB-CD2 3.87Å; L982-L1084 HydrophobicContact CD2-CB 4.18Å; L982-L1084 HydrophobicContact CD2-CD2 3.65Å; L982-L1084 HydrophobicContact CG-CD2 4.38Å; S1080-L1084 WeakPolarHBondContact O-CB 3.49Å; S1080-L1084 PolarHBondContact O-N 3.42Å; R1081-L1084 PolarHBondContact O-N 3.37Å; K1082-L1084 VanDerWaalsContact C-N 3.32Å; K1082-L1084 PolarHBondContact O-N 2.92Å; L1084-K1087 WeakPolarHBondContact O-CB 3.5Å; L1084-K1087 PolarHBondContact O-N 2.87Å; L1084-I1088 HydrophobicContact CD1-CD1 4.17Å; L1084-I1088 HydrophobicContact CD1-CG1 4.32Å; L1084-I1088 HydrophobicContact CG-CD1 3.89Å; L1084-I1088 HydrophobicContact CG-CG1 4.49Å; L1084-I1088 VanDerWaalsContact O-CG1 3.31Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.46Å; L1084-I1088 PolarHBondContact O-N 3.22Å
1085	L	92.9	Very high	92.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-40.9	178	-75.3	169.4	0	0	0	111.8	I970 L973 Q974 Y979 R1081 K1082 K1087 I1088 M1089 I1182 I1186	I970-L1085 HydrophobicContact CD1-CD1 4.42Å; I970-L1085 HydrophobicContact CG1-CD1 4.32Å; L973-L1085 HydrophobicContact CB-CD2 3.49Å; L973-L1085 VanDerWaalsContact CB-CD2 3.49Å; L973-L1085 HydrophobicContact CD1-CD2 4.42Å; Q974-L1085 HydrophobicContact CG-CD2 4.42Å; Y979-L1085 HydrophobicContact CD2-CD1 4.22Å; Y979-L1085 HydrophobicContact CD2-CD2 3.73Å; Y979-L1085 HydrophobicContact CD2-CG 3.76Å; Y979-L1085 HydrophobicContact CE2-CD1 3.61Å; Y979-L1085 HydrophobicContact CE2-CD2 3.94Å; Y979-L1085 HydrophobicContact CE2-CG 3.67Å; Y979-L1085 HydrophobicContact CG-CD2 4.33Å; R1081-L1085 WeakPolarHBondContact O-CB 3.41Å; R1081-L1085 WeakPolarHBondContact O-CG 3.46Å; R1081-L1085 PolarHBondContact O-N 3.21Å; K1082-L1085 PolarHBondContact O-N 3.26Å; L1085-K1087 VanDerWaalsContact C-N 3.29Å; L1085-K1087 PolarHBondContact O-N 3.14Å; L1085-I1088 PolarHBondContact O-N 3.1Å; L1085-M1089 VanDerWaalsContact O-CB 3.27Å; L1085-M1089 WeakPolarHBondContact O-CB 3.3Å; L1085-M1089 PolarHBondContact O-N 3.49Å; L1085-I1182 HydrophobicContact CB-CG2 3.96Å; L1085-I1186 HydrophobicContact CB-CD1 4.4Å; L1085-I1186 HydrophobicContact CD1-CD1 3.59Å; L1085-I1186 HydrophobicContact CD1-CG1 4.24Å
1086	I	92.7	Very high	92.6	Very high	26 Å²	26	52.8 Å²	52.8	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-39.9	173.4	-68.8	170.3	0	0	0	110.7	K1082 M1089 K1090 I1183	K1082-I1086 HydrophobicContact CG-CD1 3.87Å; K1082-I1086 VanDerWaalsContact O-CG1 3.31Å; K1082-I1086 WeakPolarHBondContact O-CG1 3.42Å; K1082-I1086 PolarHBondContact O-N 3.25Å; I1086-M1089 HydrophobicContact CG2-CE 4.42Å; I1086-K1090 HydrophobicContact CG2-CD 4.14Å; I1086-K1090 WeakPolarHBondContact O-CG 3.44Å; I1086-K1090 PolarHBondContact O-N 3.09Å; I1086-I1183 HydrophobicContact CD1-CD1 4.32Å; I1086-I1183 HydrophobicContact CD1-CG1 4.11Å
1087	K	93	Very high	92.5	Very high	116 Å²	116	53 Å²	53	50%	0.504	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-50.7	177.1	-175.2	-179.1	176.6	-178.1	0	112	E1083 L1084 L1085 M1089 K1090 E1091	E1083-K1087 WeakPolarHBondContact O-CB 3.3Å; E1083-K1087 PolarHBondContact O-N 2.69Å; L1084-K1087 WeakPolarHBondContact O-CB 3.5Å; L1084-K1087 PolarHBondContact O-N 2.87Å; L1085-K1087 VanDerWaalsContact C-N 3.29Å; L1085-K1087 PolarHBondContact O-N 3.14Å; K1087-M1089 VanDerWaalsContact C-N 3.31Å; K1087-M1089 PolarHBondContact O-N 3.27Å; K1087-K1090 PolarHBondContact O-N 2.99Å; K1087-E1091 PolarHBondContact O-N 3.48Å; K1087-E1091 VanDerWaalsContact O-N 3.15Å
1088	I	91.9	Very high	92.3	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.046	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-41.6	179.4	-60.7	160.3	0	0	0	110	L973 D976 M978 L1084 L1085 K1090 E1091 V1092	L973-I1088 HydrophobicContact CD2-CB 4.3Å; L973-I1088 HydrophobicContact CD2-CG2 3.69Å; D976-I1088 HydrophobicContact CB-CD1 3.81Å; D976-I1088 HydrophobicContact CB-CG2 4.17Å; D976-I1088 WeakPolarHBondContact OD1-CD1 3.5Å; M978-I1088 HydrophobicContact CE-CG1 3.94Å; L1084-I1088 HydrophobicContact CD1-CD1 4.17Å; L1084-I1088 HydrophobicContact CD1-CG1 4.32Å; L1084-I1088 HydrophobicContact CG-CD1 3.89Å; L1084-I1088 HydrophobicContact CG-CG1 4.49Å; L1084-I1088 VanDerWaalsContact O-CG1 3.31Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.46Å; L1084-I1088 PolarHBondContact O-N 3.22Å; L1085-I1088 PolarHBondContact O-N 3.1Å; I1088-K1090 PolarHBondContact O-N 3.34Å; I1088-E1091 WeakPolarHBondContact O-CB 3.48Å; I1088-E1091 PolarHBondContact O-N 3.3Å; I1088-V1092 WeakPolarHBondContact O-CG2 3.15Å; I1088-V1092 PolarHBondContact O-N 2.96Å; I1088-V1092 VanDerWaalsContact O-N 3.14Å
1089	M	92.8	Very high	92.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-47.1	175.3	-178.9	-158	65.9	0	0	111.6	I968 L973 L1085 I1086 K1087 E1091 V1092 Q1093 D1178 E1179 I1182	I968-M1089 HydrophobicContact CD1-CG 4.3Å; I968-M1089 HydrophobicContact CG2-CG 4.13Å; L973-M1089 HydrophobicContact CD1-CB 3.87Å; L973-M1089 HydrophobicContact CD1-CG 4.47Å; L973-M1089 HydrophobicContact CD2-CB 4.49Å; L1085-M1089 VanDerWaalsContact O-CB 3.27Å; L1085-M1089 WeakPolarHBondContact O-CB 3.3Å; L1085-M1089 PolarHBondContact O-N 3.49Å; I1086-M1089 HydrophobicContact CG2-CE 4.42Å; K1087-M1089 VanDerWaalsContact C-N 3.31Å; K1087-M1089 PolarHBondContact O-N 3.27Å; M1089-E1091 VanDerWaalsContact C-N 3.26Å; M1089-E1091 PolarHBondContact O-N 2.99Å; M1089-V1092 PolarHBondContact O-N 3.44Å; M1089-V1092 VanDerWaalsContact O-N 3.09Å; M1089-Q1093 HydrophobicContact CG-CG 4.3Å; M1089-Q1093 WeakPolarHBondContact O-CG 3.29Å; M1089-Q1093 PolarHBondContact O-N 3.5Å; M1089-Q1093 PolarHBondContact SD-NE2 3.11Å; M1089-D1178 HydrophobicContact SD-CB 4.36Å; M1089-E1179 HydrophobicContact CE-CB 3.67Å; M1089-E1179 HydrophobicContact CE-CG 3.73Å; M1089-E1179 WeakPolarHBondContact SD-CA 3.29Å; M1089-E1179 HydrophobicContact SD-CB 3.8Å; M1089-E1179 HydrophobicContact SD-CG 4.33Å; M1089-I1182 HydrophobicContact CB-CD1 4Å; M1089-I1182 HydrophobicContact CG-CD1 3.79Å; M1089-I1182 HydrophobicContact SD-CD1 3.48Å; M1089-I1182 WeakPolarHBondContact SD-CD1 3.32Å
1090	K	92.4	Very high	92.2	Very high	101 Å²	101	59.1 Å²	59.1	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-34.4	178.9	-76.4	178.2	179.7	175.7	0	112.6	I1086 K1087 I1088 Q1093 E1094 E1179	I1086-K1090 HydrophobicContact CG2-CD 4.14Å; I1086-K1090 WeakPolarHBondContact O-CG 3.44Å; I1086-K1090 PolarHBondContact O-N 3.09Å; K1087-K1090 PolarHBondContact O-N 2.99Å; I1088-K1090 PolarHBondContact O-N 3.34Å; K1090-Q1093 PolarHBondContact O-N 2.86Å; K1090-E1094 WeakPolarHBondContact O-CG 3.43Å; K1090-E1094 PolarHBondContact O-N 3.28Å; K1090-E1179 IonicContact NZ-OE1 3.36Å
1091	E	91.7	Very high	92.1	Very high	102 Å²	102	63 Å²	63	48%	0.477	28%	0.281	S	S	.	.	H	α-helix	trans	-64.2	-42.5	173.4	-68.7	172.4	-169.9	0	0	111.4	K1087 I1088 M1089 E1094 E1095	K1087-E1091 PolarHBondContact O-N 3.48Å; K1087-E1091 VanDerWaalsContact O-N 3.15Å; I1088-E1091 WeakPolarHBondContact O-CB 3.48Å; I1088-E1091 PolarHBondContact O-N 3.3Å; M1089-E1091 VanDerWaalsContact C-N 3.26Å; M1089-E1091 PolarHBondContact O-N 2.99Å; E1091-E1094 PolarHBondContact O-N 3.43Å; E1091-E1095 PolarHBondContact O-N 3.05Å
1092	V	90	Very high	92	Very high	48 Å²	48	65.5 Å²	65.5	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-66.7	-40.8	175.2	179.1	0	0	0	0	111.8	I968 L973 I1088 M1089 E1094 E1095 Q1096	I968-V1092 HydrophobicContact CD1-CB 4.08Å; I968-V1092 HydrophobicContact CD1-CG1 3.69Å; I968-V1092 HydrophobicContact CG1-CG1 3.94Å; L973-V1092 HydrophobicContact CD2-CG2 4.41Å; I1088-V1092 WeakPolarHBondContact O-CG2 3.15Å; I1088-V1092 PolarHBondContact O-N 2.96Å; I1088-V1092 VanDerWaalsContact O-N 3.14Å; M1089-V1092 PolarHBondContact O-N 3.44Å; M1089-V1092 VanDerWaalsContact O-N 3.09Å; V1092-E1094 VanDerWaalsContact C-N 3.35Å; V1092-E1094 PolarHBondContact O-N 3.41Å; V1092-E1095 WeakPolarHBondContact O-CB 3.3Å; V1092-E1095 PolarHBondContact O-N 2.95Å; V1092-Q1096 PolarHBondContact O-N 2.94Å
1093	Q	91.8	Very high	91.9	Very high	12 Å²	12	64.4 Å²	64.4	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-40.7	176.9	-72	-178.7	-11.3	0	0	112.1	I968 M1089 K1090 E1095 Q1096 K1097 H1175	I968-Q1093 HydrophobicContact CD1-CG 3.58Å; M1089-Q1093 HydrophobicContact CG-CG 4.3Å; M1089-Q1093 WeakPolarHBondContact O-CG 3.29Å; M1089-Q1093 PolarHBondContact O-N 3.5Å; M1089-Q1093 PolarHBondContact SD-NE2 3.11Å; K1090-Q1093 PolarHBondContact O-N 2.86Å; Q1093-E1095 VanDerWaalsContact C-N 3.32Å; Q1093-E1095 PolarHBondContact O-N 3.45Å; Q1093-Q1096 PolarHBondContact O-N 3.39Å; Q1093-K1097 WeakPolarHBondContact O-CG 3.38Å; Q1093-K1097 PolarHBondContact O-N 3.05Å; Q1093-H1175 HydrophobicContact CG-CB 4.1Å; Q1093-H1175 VanDerWaalsContact NE2-CB 3.35Å; Q1093-H1175 PolarHBondContact NE2-O 3.33Å; Q1093-H1175 PolarHBondContact O-CE1 2.9Å; Q1093-H1175 VanDerWaalsContact O-CE1 3.29Å
1094	E	91.9	Very high	91.9	Very high	80 Å²	80	58.8 Å²	58.8	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-67.5	-31.7	175.6	-75.9	-56.1	129.5	0	0	112.7	K1090 E1091 V1092 K1097 R1098 R1101	K1090-E1094 WeakPolarHBondContact O-CG 3.43Å; K1090-E1094 PolarHBondContact O-N 3.28Å; E1091-E1094 PolarHBondContact O-N 3.43Å; V1092-E1094 VanDerWaalsContact C-N 3.35Å; V1092-E1094 PolarHBondContact O-N 3.41Å; E1094-K1097 WeakPolarHBondContact OE1-CD 3.31Å; E1094-K1097 IonicContact OE1-NZ 2.69Å; E1094-K1097 PolarHBondContact OE1-NZ 2.94Å; E1094-R1098 WeakPolarHBondContact O-CB 3.36Å; E1094-R1098 PolarHBondContact O-N 3.4Å; E1094-R1101 IonicContact OE2-NH2 3.07Å
1095	E	90.5	Very high	91.7	Very high	97 Å²	97	62.1 Å²	62.1	45%	0.453	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-47.9	171.5	-163.6	63.4	-127.6	0	0	111.3	E1091 V1092 Q1093 K1097 R1098 E1099	E1091-E1095 PolarHBondContact O-N 3.05Å; V1092-E1095 WeakPolarHBondContact O-CB 3.3Å; V1092-E1095 PolarHBondContact O-N 2.95Å; Q1093-E1095 VanDerWaalsContact C-N 3.32Å; Q1093-E1095 PolarHBondContact O-N 3.45Å; E1095-K1097 VanDerWaalsContact C-N 3.32Å; E1095-K1097 PolarHBondContact O-N 2.97Å; E1095-R1098 WeakPolarHBondContact O-CA 3.38Å; E1095-R1098 WeakPolarHBondContact O-CB 3.35Å; E1095-R1098 PolarHBondContact O-N 3.27Å; E1095-R1098 IonicContact OE1-CZ 2.83Å; E1095-R1098 IonicContact OE1-NH1 2.76Å; E1095-R1098 PolarHBondContact OE1-NH1 3.28Å; E1095-R1098 IonicContact OE2-CZ 3.03Å; E1095-R1098 IonicContact OE2-NH1 3.15Å; E1095-R1098 PolarHBondContact OE2-NH1 3.37Å; E1095-R1098 IonicContact OE2-NH2 2.74Å; E1095-E1099 PolarHBondContact O-N 2.93Å
1096	Q	91.7	Very high	91.6	Very high	21 Å²	21	70.4 Å²	70.4	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-40	176.5	-69.5	-176.9	-16.3	0	0	112	F965 D966 V1092 Q1093 R1098 E1099 L1100 L1171 H1175	F965-Q1096 HydrophobicContact CB-CG 4.44Å; F965-Q1096 HydrophobicContact CD1-CB 3.98Å; F965-Q1096 HydrophobicContact CD1-CG 3.98Å; F965-Q1096 HydrophobicContact CE1-CB 4.36Å; F965-Q1096 HydrophobicContact CG-CB 4.42Å; F965-Q1096 HydrophobicContact CG-CG 4.44Å; D966-Q1096 PolarHBondContact O-NE2 3.01Å; V1092-Q1096 PolarHBondContact O-N 2.94Å; Q1093-Q1096 PolarHBondContact O-N 3.39Å; Q1096-R1098 VanDerWaalsContact C-N 3.32Å; Q1096-R1098 PolarHBondContact O-N 2.91Å; Q1096-E1099 PolarHBondContact O-N 3.02Å; Q1096-L1100 PolarHBondContact O-N 3.1Å; Q1096-L1171 HydrophobicContact CB-CD1 4.48Å; Q1096-L1171 HydrophobicContact CB-CD2 4.4Å; Q1096-H1175 PolarHBondContact OE1-NE2 3.35Å
1097	K	92.6	Very high	91.5	Very high	56 Å²	56	70.1 Å²	70.1	24%	0.243	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-33.9	173.6	-72.9	176.9	-165.8	165	0	112.6	Q1093 E1094 E1095 R1101 L1171 N1172	Q1093-K1097 WeakPolarHBondContact O-CG 3.38Å; Q1093-K1097 PolarHBondContact O-N 3.05Å; E1094-K1097 WeakPolarHBondContact OE1-CD 3.31Å; E1094-K1097 IonicContact OE1-NZ 2.69Å; E1094-K1097 PolarHBondContact OE1-NZ 2.94Å; E1095-K1097 VanDerWaalsContact C-N 3.32Å; E1095-K1097 PolarHBondContact O-N 2.97Å; K1097-R1101 WeakPolarHBondContact O-CG 3.29Å; K1097-R1101 PolarHBondContact O-N 3.36Å; K1097-R1101 VanDerWaalsContact O-N 3.11Å; K1097-R1101 PolarHBondContact O-NE 3.43Å; K1097-L1171 HydrophobicContact CG-CD2 4.14Å; K1097-N1172 WeakPolarHBondContact CE-OD1 3.41Å
1098	R	91.7	Very high	91.4	Very high	119 Å²	119	66.6 Å²	66.6	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-69.5	-43.5	176.5	-164.1	-176	-56.7	128.5	6.6	110.7	E1094 E1095 Q1096 R1101 I1102	E1094-R1098 WeakPolarHBondContact O-CB 3.36Å; E1094-R1098 PolarHBondContact O-N 3.4Å; E1095-R1098 WeakPolarHBondContact O-CA 3.38Å; E1095-R1098 WeakPolarHBondContact O-CB 3.35Å; E1095-R1098 PolarHBondContact O-N 3.27Å; E1095-R1098 IonicContact OE1-CZ 2.83Å; E1095-R1098 IonicContact OE1-NH1 2.76Å; E1095-R1098 PolarHBondContact OE1-NH1 3.28Å; E1095-R1098 IonicContact OE2-CZ 3.03Å; E1095-R1098 IonicContact OE2-NH1 3.15Å; E1095-R1098 PolarHBondContact OE2-NH1 3.37Å; E1095-R1098 IonicContact OE2-NH2 2.74Å; Q1096-R1098 VanDerWaalsContact C-N 3.32Å; Q1096-R1098 PolarHBondContact O-N 2.91Å; R1098-R1101 PolarHBondContact O-N 2.86Å; R1098-I1102 HydrophobicContact CG-CD1 4.47Å; R1098-I1102 WeakPolarHBondContact O-CG1 3.39Å; R1098-I1102 PolarHBondContact O-N 3.4Å
1099	E	91.2	Very high	91.3	Very high	101 Å²	101	73.5 Å²	73.5	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-43.6	175.3	-173.8	173.9	-165.1	0	0	111.7	F965 E1095 Q1096 R1101 I1102 I1103	F965-E1099 HydrophobicContact CE1-CB 4Å; F965-E1099 HydrophobicContact CE1-CG 4.01Å; E1095-E1099 PolarHBondContact O-N 2.93Å; Q1096-E1099 PolarHBondContact O-N 3.02Å; E1099-R1101 PolarHBondContact O-N 3.46Å; E1099-I1102 PolarHBondContact O-N 3.46Å; E1099-I1103 HydrophobicContact CG-CD1 4.4Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.23Å; E1099-I1103 PolarHBondContact O-N 2.86Å
1100	L	92.6	Very high	91.1	Very high	4 Å²	4	77.3 Å²	77.3	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-44.8	174.1	-176.1	58.7	0	0	0	112.1	P963 F965 Q1096 I1102 I1103 Q1104 Q1167 L1171	P963-L1100 HydrophobicContact CG-CD1 3.58Å; F965-L1100 HydrophobicContact CE2-CB 4.17Å; F965-L1100 HydrophobicContact CE2-CD1 4.14Å; F965-L1100 HydrophobicContact CZ-CB 3.71Å; F965-L1100 HydrophobicContact CZ-CD1 4.2Å; F965-L1100 HydrophobicContact CZ-CG 4.48Å; Q1096-L1100 PolarHBondContact O-N 3.1Å; L1100-I1102 VanDerWaalsContact C-N 3.32Å; L1100-I1102 PolarHBondContact O-N 2.97Å; L1100-I1103 PolarHBondContact O-N 2.77Å; L1100-Q1104 HydrophobicContact CD1-CG 4.33Å; L1100-Q1104 HydrophobicContact CG-CG 4.42Å; L1100-Q1104 VanDerWaalsContact O-CG 3.31Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.41Å; L1100-Q1104 PolarHBondContact O-N 2.86Å; L1100-Q1167 HydrophobicContact CD1-CB 4.29Å; L1100-Q1167 HydrophobicContact CD2-CB 4.4Å; L1100-L1171 HydrophobicContact CB-CD2 4.17Å; L1100-L1171 HydrophobicContact CD2-CB 4.27Å; L1100-L1171 HydrophobicContact CD2-CD2 3.75Å
1101	R	91.2	Very high	91	Very high	130 Å²	130	73.1 Å²	73.1	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-41.1	176.8	-79.5	-177.7	-81.2	-152	-1.8	112.2	E1094 K1097 R1098 E1099 I1103 Q1104 D1105	E1094-R1101 IonicContact OE2-NH2 3.07Å; K1097-R1101 WeakPolarHBondContact O-CG 3.29Å; K1097-R1101 PolarHBondContact O-N 3.36Å; K1097-R1101 VanDerWaalsContact O-N 3.11Å; K1097-R1101 PolarHBondContact O-NE 3.43Å; R1098-R1101 PolarHBondContact O-N 2.86Å; E1099-R1101 PolarHBondContact O-N 3.46Å; R1101-I1103 VanDerWaalsContact C-N 3.33Å; R1101-I1103 PolarHBondContact O-N 2.98Å; R1101-Q1104 PolarHBondContact O-N 3.38Å; R1101-D1105 WeakPolarHBondContact O-CB 3.44Å; R1101-D1105 PolarHBondContact O-N 3.5Å
1102	I	91.5	Very high	90.8	Very high	105 Å²	105	73.5 Å²	73.5	54%	0.538	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-41.1	176.7	-68	165.8	0	0	0	111.2	R1098 E1099 L1100 R1106	R1098-I1102 HydrophobicContact CG-CD1 4.47Å; R1098-I1102 WeakPolarHBondContact O-CG1 3.39Å; R1098-I1102 PolarHBondContact O-N 3.4Å; E1099-I1102 PolarHBondContact O-N 3.46Å; L1100-I1102 VanDerWaalsContact C-N 3.32Å; L1100-I1102 PolarHBondContact O-N 2.97Å; I1102-R1106 PolarHBondContact O-N 2.61Å; I1102-R1106 VanDerWaalsContact O-N 3.12Å
1103	I	90.5	Very high	90.7	Very high	53 Å²	53	74.1 Å²	74.1	27%	0.272	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-48.5	175.9	-65.9	168.9	0	0	0	110.2	P963 E1099 L1100 R1101 D1105 R1106 E1107	P963-I1103 HydrophobicContact CB-CD1 3.81Å; P963-I1103 HydrophobicContact CG-CD1 4.48Å; E1099-I1103 HydrophobicContact CG-CD1 4.4Å; E1099-I1103 WeakPolarHBondContact O-CG1 3.23Å; E1099-I1103 PolarHBondContact O-N 2.86Å; L1100-I1103 PolarHBondContact O-N 2.77Å; R1101-I1103 VanDerWaalsContact C-N 3.33Å; R1101-I1103 PolarHBondContact O-N 2.98Å; I1103-D1105 PolarHBondContact O-N 3.47Å; I1103-R1106 WeakPolarHBondContact O-CB 3.47Å; I1103-R1106 PolarHBondContact O-N 2.85Å; I1103-E1107 WeakPolarHBondContact O-CG 3.28Å; I1103-E1107 PolarHBondContact O-N 2.9Å
1104	Q	91.6	Very high	90.5	Very high	23 Å²	23	79.3 Å²	79.3	11%	0.107	37%	0.368	C	S	.	.	H	α-helix	trans	-60.8	-43.3	179.5	-70.3	-179.1	-15	0	0	112.1	L1100 R1101 R1106 E1107 V1108 H1164	L1100-Q1104 HydrophobicContact CD1-CG 4.33Å; L1100-Q1104 HydrophobicContact CG-CG 4.42Å; L1100-Q1104 VanDerWaalsContact O-CG 3.31Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.41Å; L1100-Q1104 PolarHBondContact O-N 2.86Å; R1101-Q1104 PolarHBondContact O-N 3.38Å; Q1104-R1106 VanDerWaalsContact C-N 3.33Å; Q1104-R1106 PolarHBondContact O-N 3.21Å; Q1104-E1107 PolarHBondContact O-N 3.29Å; Q1104-V1108 WeakPolarHBondContact O-CG2 3.32Å; Q1104-V1108 PolarHBondContact O-N 2.88Å; Q1104-H1164 VanDerWaalsContact CB-CE1 3.47Å; Q1104-H1164 WeakPolarHBondContact CB-CE1 3.35Å; Q1104-H1164 HydrophobicContact CG-CB 4.36Å; Q1104-H1164 PolarHBondContact NE2-O 3.48Å; Q1104-H1164 VanDerWaalsContact NE2-O 3.11Å; Q1104-H1164 PolarHBondContact O-CE1 3.42Å
1105	D	90.4	Very high	90.2	Very high	101 Å²	101	75.8 Å²	75.8	54%	0.54	35%	0.352	S	S	.	.	H	α-helix	trans	-62	-38.8	176.2	-81.5	-17.4	0	0	0	112.5	R1101 I1103 V1108 K1109	R1101-D1105 WeakPolarHBondContact O-CB 3.44Å; R1101-D1105 PolarHBondContact O-N 3.5Å; I1103-D1105 PolarHBondContact O-N 3.47Å; D1105-V1108 PolarHBondContact O-N 3.16Å; D1105-K1109 WeakPolarHBondContact O-CG 3.37Å; D1105-K1109 PolarHBondContact O-N 3.24Å
1106	R	90.8	Very high	90	Very high	174 Å²	174	75.2 Å²	75.2	66%	0.657	36%	0.355	S	S	*	.	H	α-helix	trans	-63.2	-44.3	174.4	-178.1	-178.7	-84	176.8	-4.6	110.8	I1102 I1103 Q1104 V1108 K1109 E1110	I1102-R1106 PolarHBondContact O-N 2.61Å; I1102-R1106 VanDerWaalsContact O-N 3.12Å; I1103-R1106 WeakPolarHBondContact O-CB 3.47Å; I1103-R1106 PolarHBondContact O-N 2.85Å; Q1104-R1106 VanDerWaalsContact C-N 3.33Å; Q1104-R1106 PolarHBondContact O-N 3.21Å; R1106-V1108 PolarHBondContact O-N 3.4Å; R1106-K1109 PolarHBondContact O-N 3.39Å; R1106-E1110 WeakPolarHBondContact O-CG 3.32Å; R1106-E1110 PolarHBondContact O-N 3.02Å
1107	E	89.5	Confident	89.8	Confident	20 Å²	20	81.3 Å²	81.3	9%	0.093	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-39.9	177.7	-67.8	-170.1	136.9	0	0	112.9	I1103 Q1104 E1110 M1111 Q1160 R1163 H1164	I1103-E1107 WeakPolarHBondContact O-CG 3.28Å; I1103-E1107 PolarHBondContact O-N 2.9Å; Q1104-E1107 PolarHBondContact O-N 3.29Å; E1107-E1110 PolarHBondContact O-N 3.01Å; E1107-M1111 WeakPolarHBondContact O-CB 3.29Å; E1107-M1111 PolarHBondContact O-N 3.44Å; E1107-Q1160 PolarHBondContact OE2-NE2 3Å; E1107-R1163 IonicContact OE1-NH1 3.85Å; E1107-H1164 IonicContact OE2-CD2 2.85Å; E1107-H1164 IonicContact OE2-CE1 3.98Å; E1107-H1164 IonicContact OE2-NE2 3.93Å; E1107-H1164 PolarHBondContact OE2-NE2 3.48Å
1108	V	90.1	Very high	89.4	Confident	43 Å²	43	80 Å²	80	26%	0.261	38%	0.381	S	S	.	.	H	α-helix	trans	-64.1	-41.3	175.3	173.4	0	0	0	0	111	Q1104 D1105 R1106 M1111 K1112	Q1104-V1108 WeakPolarHBondContact O-CG2 3.32Å; Q1104-V1108 PolarHBondContact O-N 2.88Å; D1105-V1108 PolarHBondContact O-N 3.16Å; R1106-V1108 PolarHBondContact O-N 3.4Å; V1108-M1111 PolarHBondContact O-N 3.48Å; V1108-K1112 HydrophobicContact CG1-CD 4.17Å; V1108-K1112 HydrophobicContact CG1-CG 4.49Å; V1108-K1112 WeakPolarHBondContact O-CG 3.35Å; V1108-K1112 PolarHBondContact O-N 3.49Å
1109	K	89.8	Confident	89	Confident	153 Å²	153	76 Å²	76	67%	0.665	37%	0.371	S	S	*	.	H	α-helix	trans	-62.8	-45.7	176.3	-75.9	175.3	-178.1	173.8	0	111.5	D1105 R1106 K1112 A1113	D1105-K1109 WeakPolarHBondContact O-CG 3.37Å; D1105-K1109 PolarHBondContact O-N 3.24Å; R1106-K1109 PolarHBondContact O-N 3.39Å; K1109-K1112 PolarHBondContact O-N 3.43Å; K1109-A1113 WeakPolarHBondContact O-CB 3.43Å; K1109-A1113 PolarHBondContact O-N 2.95Å
1110	E	89.7	Confident	88.6	Confident	80 Å²	80	76.3 Å²	76.3	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-59.6	-46.1	175.6	-75.5	176.1	-172.5	0	0	111.9	K960 R1106 E1107 A1113 Q1114	K960-E1110 IonicContact NZ-OE2 3.02Å; K960-E1110 PolarHBondContact NZ-OE2 3.42Å; R1106-E1110 WeakPolarHBondContact O-CG 3.32Å; R1106-E1110 PolarHBondContact O-N 3.02Å; E1107-E1110 PolarHBondContact O-N 3.01Å; E1110-A1113 PolarHBondContact O-N 2.67Å; E1110-Q1114 WeakPolarHBondContact O-CG 3.47Å; E1110-Q1114 PolarHBondContact O-N 3.11Å
1111	M	89.4	Confident	88.2	Confident	13 Å²	13	82.2 Å²	82.2	6%	0.064	40%	0.402	C	S	.	.	H	α-helix	trans	-61.6	-46.6	178.4	-174.9	-133	-61	0	0	111.7	E1107 V1108 A1113 Q1114 Q1115 Q1156 R1157 Q1160	E1107-M1111 WeakPolarHBondContact O-CB 3.29Å; E1107-M1111 PolarHBondContact O-N 3.44Å; V1108-M1111 PolarHBondContact O-N 3.48Å; M1111-A1113 VanDerWaalsContact C-N 3.3Å; M1111-A1113 PolarHBondContact O-N 3.32Å; M1111-Q1114 PolarHBondContact O-N 3.35Å; M1111-Q1114 VanDerWaalsContact O-N 3.17Å; M1111-Q1115 WeakPolarHBondContact O-CG 3.47Å; M1111-Q1115 PolarHBondContact O-N 3.3Å; M1111-Q1115 PolarHBondContact SD-NE2 3.29Å; M1111-Q1156 HydrophobicContact CG-CG 4.45Å; M1111-R1157 HydrophobicContact CE-CG 4.28Å; M1111-R1157 HydrophobicContact SD-CG 3.69Å; M1111-Q1160 HydrophobicContact CE-CB 3.38Å; M1111-Q1160 HydrophobicContact CE-CG 3.46Å; M1111-Q1160 VanDerWaalsContact CE-CG 3.46Å
1112	K	87.6	Confident	87.7	Confident	110 Å²	110	77.1 Å²	77.1	48%	0.478	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-39	177.2	-74.9	178.2	-179.9	177	0	112	V1108 K1109 Q1115 T1116	V1108-K1112 HydrophobicContact CG1-CD 4.17Å; V1108-K1112 HydrophobicContact CG1-CG 4.49Å; V1108-K1112 WeakPolarHBondContact O-CG 3.35Å; V1108-K1112 PolarHBondContact O-N 3.49Å; K1109-K1112 PolarHBondContact O-N 3.43Å; K1112-Q1115 PolarHBondContact O-N 2.82Å; K1112-T1116 PolarHBondContact O-N 2.79Å; K1112-T1116 PolarHBondContact O-OG1 3.49Å
1113	A	88.5	Confident	87.1	Confident	62 Å²	62	74.3 Å²	74.3	51%	0.512	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-42.3	175.1	0	0	0	0	0	111.6	K1109 E1110 M1111 T1116 K1117	K1109-A1113 WeakPolarHBondContact O-CB 3.43Å; K1109-A1113 PolarHBondContact O-N 2.95Å; E1110-A1113 PolarHBondContact O-N 2.67Å; M1111-A1113 VanDerWaalsContact C-N 3.3Å; M1111-A1113 PolarHBondContact O-N 3.32Å; A1113-T1116 PolarHBondContact O-N 2.85Å; A1113-K1117 PolarHBondContact O-N 3.46Å
1114	Q	87.6	Confident	86.7	Confident	120 Å²	120	80.4 Å²	80.4	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-64.5	-42.6	175.2	-70.1	176.7	10.5	0	0	112.5	E1110 M1111 T1116 K1117 A1118	E1110-Q1114 WeakPolarHBondContact O-CG 3.47Å; E1110-Q1114 PolarHBondContact O-N 3.11Å; M1111-Q1114 PolarHBondContact O-N 3.35Å; M1111-Q1114 VanDerWaalsContact O-N 3.17Å; Q1114-T1116 VanDerWaalsContact C-N 3.34Å; Q1114-T1116 PolarHBondContact O-N 2.94Å; Q1114-K1117 PolarHBondContact O-N 3.33Å; Q1114-A1118 WeakPolarHBondContact O-CB 3.46Å; Q1114-A1118 PolarHBondContact O-N 3.01Å
1115	Q	86.5	Confident	86.2	Confident	7 Å²	7	82.6 Å²	82.6	3%	0.033	41%	0.41	C	S	.	.	H	α-helix	trans	-60.6	-43.5	176.2	-70.1	-175.6	-12.5	0	0	111.6	M1111 K1112 A1118 S1119 F1153 Q1156 R1157	M1111-Q1115 WeakPolarHBondContact O-CG 3.47Å; M1111-Q1115 PolarHBondContact O-N 3.3Å; M1111-Q1115 PolarHBondContact SD-NE2 3.29Å; K1112-Q1115 PolarHBondContact O-N 2.82Å; Q1115-A1118 PolarHBondContact O-N 2.88Å; Q1115-S1119 WeakPolarHBondContact O-CB 3.08Å; Q1115-S1119 PolarHBondContact O-N 2.83Å; Q1115-F1153 HydrophobicContact CB-CD1 4.05Å; Q1115-F1153 HydrophobicContact CB-CD2 4.13Å; Q1115-F1153 HydrophobicContact CB-CE1 3.92Å; Q1115-F1153 HydrophobicContact CB-CE2 4Å; Q1115-F1153 HydrophobicContact CB-CG 4.16Å; Q1115-F1153 HydrophobicContact CB-CZ 3.89Å; Q1115-F1153 HydrophobicContact CG-CB 4.41Å; Q1115-F1153 HydrophobicContact CG-CD1 3.53Å; Q1115-F1153 HydrophobicContact CG-CD2 4.31Å; Q1115-F1153 HydrophobicContact CG-CE1 3.78Å; Q1115-F1153 HydrophobicContact CG-CG 3.82Å; Q1115-F1153 HydrophobicContact CG-CZ 4.27Å; Q1115-F1153 PolarHBondContact NE2-O 3.41Å; Q1115-F1153 VanDerWaalsContact O-CZ 3.26Å; Q1115-F1153 WeakPolarHBondContact O-CZ 3.4Å; Q1115-Q1156 VanDerWaalsContact NE2-OE1 3.17Å; Q1115-R1157 VanDerWaalsContact OE1-NE 3.14Å
1116	T	85.1	Confident	85.7	Confident	84 Å²	84	78.3 Å²	78.3	52%	0.515	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-45.5	177.8	-53.9	0	0	0	0	111	K1112 A1113 Q1114 S1119 I1120	K1112-T1116 PolarHBondContact O-N 2.79Å; K1112-T1116 PolarHBondContact O-OG1 3.49Å; A1113-T1116 PolarHBondContact O-N 2.85Å; Q1114-T1116 VanDerWaalsContact C-N 3.34Å; Q1114-T1116 PolarHBondContact O-N 2.94Å; T1116-S1119 PolarHBondContact O-N 2.91Å; T1116-I1120 HydrophobicContact CG2-CD1 4Å; T1116-I1120 WeakPolarHBondContact O-CG1 3.3Å; T1116-I1120 PolarHBondContact O-N 3.17Å
1117	K	87.4	Confident	85	Confident	149 Å²	149	75.3 Å²	75.3	65%	0.648	38%	0.382	S	S	*	.	H	α-helix	trans	-60.9	-46.3	177.1	-171.6	179.1	178	-176.8	0	111.9	A1113 Q1114 S1119 I1120 E1121	A1113-K1117 PolarHBondContact O-N 3.46Å; Q1114-K1117 PolarHBondContact O-N 3.33Å; K1117-S1119 VanDerWaalsContact C-N 3.34Å; K1117-S1119 PolarHBondContact O-N 3.32Å; K1117-I1120 PolarHBondContact O-N 3.47Å; K1117-E1121 WeakPolarHBondContact O-CB 3.3Å; K1117-E1121 PolarHBondContact O-N 3.44Å
1118	A	84.4	Confident	84.5	Confident	30 Å²	30	79.9 Å²	79.9	25%	0.248	41%	0.407	C	S	.	.	H	α-helix	trans	-63.1	-38	178.9	0	0	0	0	0	112.7	Q1114 Q1115 S1122 F1153	Q1114-A1118 WeakPolarHBondContact O-CB 3.46Å; Q1114-A1118 PolarHBondContact O-N 3.01Å; Q1115-A1118 PolarHBondContact O-N 2.88Å; A1118-S1122 WeakPolarHBondContact O-CB 3.29Å; A1118-S1122 PolarHBondContact O-N 2.96Å; A1118-S1122 PolarHBondContact O-OG 3.33Å; A1118-F1153 HydrophobicContact CB-CZ 4.31Å
1119	S	83.3	Confident	83.9	Confident	33 Å²	33	81.1 Å²	81.1	23%	0.231	41%	0.412	C	S	.	.	H	α-helix	trans	-67.1	-43.8	176.6	-176.7	0	0	0	0	112.2	Q1115 T1116 K1117 S1122 N1123	Q1115-S1119 WeakPolarHBondContact O-CB 3.08Å; Q1115-S1119 PolarHBondContact O-N 2.83Å; T1116-S1119 PolarHBondContact O-N 2.91Å; K1117-S1119 VanDerWaalsContact C-N 3.34Å; K1117-S1119 PolarHBondContact O-N 3.32Å; S1119-S1122 WeakPolarHBondContact O-CB 3.35Å; S1119-S1122 PolarHBondContact O-N 2.8Å; S1119-N1123 PolarHBondContact O-N 3.19Å; S1119-N1123 PolarHBondContact O-ND2 3.49Å
1120	I	83.2	Confident	83.2	Confident	109 Å²	109	84.9 Å²	84.9	56%	0.559	42%	0.422	S	S	*	.	H	α-helix	trans	-63.4	-44.8	177	-67	168.5	0	0	0	110.9	T1116 K1117 N1123 R1124	T1116-I1120 HydrophobicContact CG2-CD1 4Å; T1116-I1120 WeakPolarHBondContact O-CG1 3.3Å; T1116-I1120 PolarHBondContact O-N 3.17Å; K1117-I1120 PolarHBondContact O-N 3.47Å; I1120-N1123 PolarHBondContact O-N 3.13Å; I1120-R1124 WeakPolarHBondContact O-CB 3.5Å; I1120-R1124 PolarHBondContact O-N 3.48Å
1121	E	83.3	Confident	82.4	Confident	127 Å²	127	90 Å²	90	59%	0.593	44%	0.443	S	S	*	.	H	α-helix	trans	-65.7	-40.5	179.6	-170.8	164.9	-161.5	0	0	112.1	K1117 R1124 S1125	K1117-E1121 WeakPolarHBondContact O-CB 3.3Å; K1117-E1121 PolarHBondContact O-N 3.44Å; E1121-R1124 PolarHBondContact O-N 3.06Å; E1121-S1125 PolarHBondContact O-N 2.91Å
1122	S	80.8	Confident	81.4	Confident	24 Å²	24	90.3 Å²	90.3	17%	0.168	45%	0.445	C	S	.	.	H	α-helix	trans	-57	-51.7	173	-69.1	0	0	0	0	111.6	A1118 S1119 R1124 S1125 V1126 N1149	A1118-S1122 WeakPolarHBondContact O-CB 3.29Å; A1118-S1122 PolarHBondContact O-N 2.96Å; A1118-S1122 PolarHBondContact O-OG 3.33Å; S1119-S1122 WeakPolarHBondContact O-CB 3.35Å; S1119-S1122 PolarHBondContact O-N 2.8Å; S1122-R1124 VanDerWaalsContact C-N 3.33Å; S1122-R1124 PolarHBondContact O-N 3.14Å; S1122-S1125 PolarHBondContact O-N 3.44Å; S1122-S1125 PolarHBondContact O-OG 2.96Å; S1122-V1126 PolarHBondContact O-N 3.37Å; S1122-N1149 WeakPolarHBondContact CB-ND2 3.27Å; S1122-N1149 PolarHBondContact OG-ND2 3.31Å
1123	N	80	Confident	80.4	Confident	46 Å²	46	96.1 Å²	96.1	25%	0.246	46%	0.464	C	S	.	.	H	α-helix	trans	-62.9	-39.3	178.5	-74.2	-31.2	0	0	0	112.2	S1119 I1120 S1125 V1126 M1127 N1146	S1119-N1123 PolarHBondContact O-N 3.19Å; S1119-N1123 PolarHBondContact O-ND2 3.49Å; I1120-N1123 PolarHBondContact O-N 3.13Å; N1123-S1125 VanDerWaalsContact C-N 3.33Å; N1123-S1125 PolarHBondContact O-N 3.15Å; N1123-V1126 PolarHBondContact O-N 3.2Å; N1123-M1127 WeakPolarHBondContact O-CG 3.26Å; N1123-M1127 PolarHBondContact O-N 3.2Å; N1123-M1127 VanDerWaalsContact O-N 3.16Å; N1123-N1146 PolarHBondContact OD1-OD1 3.42Å
1124	R	82.3	Confident	79.7	Confident	181 Å²	181	97.8 Å²	97.8	68%	0.683	46%	0.464	S	S	*	.	H	α-helix	trans	-64.7	-37	177.1	-159.4	178.9	-153	179.8	6.6	112.3	I1120 E1121 S1122 M1127 N1128	I1120-R1124 WeakPolarHBondContact O-CB 3.5Å; I1120-R1124 PolarHBondContact O-N 3.48Å; E1121-R1124 PolarHBondContact O-N 3.06Å; S1122-R1124 VanDerWaalsContact C-N 3.33Å; S1122-R1124 PolarHBondContact O-N 3.14Å; R1124-M1127 PolarHBondContact O-N 2.89Å; R1124-N1128 WeakPolarHBondContact O-CB 3.46Å; R1124-N1128 PolarHBondContact O-N 3.29Å; R1124-N1128 VanDerWaalsContact O-N 3.17Å; R1124-N1128 PolarHBondContact O-ND2 3.5Å
1125	S	81.2	Confident	79.3	Confident	69 Å²	69	99.2 Å²	99.2	48%	0.483	47%	0.469	S	S	.	.	H	α-helix	trans	-64	-42.1	178.6	77.7	0	0	0	0	112.2	E1121 S1122 N1123 N1128 D1129	E1121-S1125 PolarHBondContact O-N 2.91Å; S1122-S1125 PolarHBondContact O-N 3.44Å; S1122-S1125 PolarHBondContact O-OG 2.96Å; N1123-S1125 VanDerWaalsContact C-N 3.33Å; N1123-S1125 PolarHBondContact O-N 3.15Å; S1125-N1128 PolarHBondContact O-N 3.27Å; S1125-D1129 PolarHBondContact O-N 3.43Å
1126	V	79.7	Confident	78.9	Confident	10 Å²	10	101.7 Å²	101.7	6%	0.061	49%	0.491	C	S	.	.	H	α-helix	trans	-69.9	-37.6	179.1	-179.6	0	0	0	0	111.3	S1122 N1123 N1128 D1129 L1132 R1141 I1142 L1145	S1122-V1126 PolarHBondContact O-N 3.37Å; N1123-V1126 PolarHBondContact O-N 3.2Å; V1126-N1128 VanDerWaalsContact C-N 3.28Å; V1126-N1128 PolarHBondContact O-N 3.14Å; V1126-D1129 PolarHBondContact O-N 3.44Å; V1126-L1132 HydrophobicContact CG1-CD1 4.01Å; V1126-R1141 HydrophobicContact CG1-CB 3.9Å; V1126-R1141 HydrophobicContact CG1-CG 4.11Å; V1126-R1141 HydrophobicContact CG2-CG 4.35Å; V1126-I1142 HydrophobicContact CB-CG1 4.07Å; V1126-I1142 HydrophobicContact CG1-CD1 4.45Å; V1126-I1142 HydrophobicContact CG1-CG1 3.73Å; V1126-L1145 HydrophobicContact CG2-CD2 3.67Å
1127	M	75.5	Confident	78.5	Confident	112 Å²	112	102.8 Å²	102.8	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-66.6	-29.9	176.9	-72.2	-63.7	-71.5	0	0	113.1	N1123 R1124 I1142	N1123-M1127 WeakPolarHBondContact O-CG 3.26Å; N1123-M1127 PolarHBondContact O-N 3.2Å; N1123-M1127 VanDerWaalsContact O-N 3.16Å; R1124-M1127 PolarHBondContact O-N 2.89Å; M1127-I1142 HydrophobicContact CG-CD1 4.49Å; M1127-I1142 HydrophobicContact SD-CD1 4.11Å
1128	N	78.9	Confident	78.1	Confident	115 Å²	115	99.4 Å²	99.4	62%	0.615	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-4.1	-178.9	-72	-18.8	0	0	0	113.8	R1124 S1125 V1126 R1130	R1124-N1128 WeakPolarHBondContact O-CB 3.46Å; R1124-N1128 PolarHBondContact O-N 3.29Å; R1124-N1128 VanDerWaalsContact O-N 3.17Å; R1124-N1128 PolarHBondContact O-ND2 3.5Å; S1125-N1128 PolarHBondContact O-N 3.27Å; V1126-N1128 VanDerWaalsContact C-N 3.28Å; V1126-N1128 PolarHBondContact O-N 3.14Å; N1128-R1130 PolarHBondContact O-N 2.82Å
1129	D	77.3	Confident	77.9	Confident	69 Å²	69	101.1 Å²	101.1	37%	0.369	48%	0.478	S	S	.	.			trans	-74.7	107.4	179.5	-169.6	-11.9	0	0	0	111.3	S1125 V1126 K1131 L1132	S1125-D1129 PolarHBondContact O-N 3.43Å; V1126-D1129 PolarHBondContact O-N 3.44Å; D1129-K1131 PolarHBondContact O-N 3.45Å; D1129-K1131 WeakPolarHBondContact OD1-CB 3.39Å; D1129-K1131 PolarHBondContact OD1-N 2.99Å; D1129-L1132 HydrophobicContact CB-CD1 4.11Å; D1129-L1132 PolarHBondContact O-N 2.92Å
1130	R	74.8	Confident	77.8	Confident	232 Å²	232	107 Å²	107	88%	0.875	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.9	-178.5	-63.9	-175.5	178.8	-171.3	-0.5	113.7	N1128	N1128-R1130 PolarHBondContact O-N 2.82Å
1131	K	73.7	Confident	77.7	Confident	187 Å²	187	108.5 Å²	108.5	81%	0.813	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-23.1	178.6	-64.9	-177.5	179	-179.8	0	112.6	D1129 R1133	D1129-K1131 PolarHBondContact O-N 3.45Å; D1129-K1131 WeakPolarHBondContact OD1-CB 3.39Å; D1129-K1131 PolarHBondContact OD1-N 2.99Å; K1131-R1133 PolarHBondContact O-N 3.24Å
1132	L	68.2	Low	77.6	Confident	20 Å²	20	103.9 Å²	103.9	11%	0.105	47%	0.473	C	S	.	.			trans	-84.6	99.2	178	-65.9	167.3	0	0	0	109.6	V1126 D1129 E1137 R1138	V1126-L1132 HydrophobicContact CG1-CD1 4.01Å; D1129-L1132 HydrophobicContact CB-CD1 4.11Å; D1129-L1132 PolarHBondContact O-N 2.92Å; L1132-E1137 HydrophobicContact CD2-CB 4.24Å; L1132-E1137 HydrophobicContact CD2-CG 3.75Å; L1132-R1138 HydrophobicContact CB-CG 3.63Å; L1132-R1138 HydrophobicContact CD1-CG 4.04Å; L1132-R1138 HydrophobicContact CG-CG 4.41Å; L1132-R1138 VanDerWaalsContact O-CZ 3.26Å; L1132-R1138 PolarHBondContact O-NE 2.92Å; L1132-R1138 VanDerWaalsContact O-NE 3.08Å; L1132-R1138 PolarHBondContact O-NH2 3.37Å
1133	R	67.5	Low	77.6	Confident	232 Å²	232	110.3 Å²	110.3	88%	0.875	49%	0.494	S	S	*	.			trans	-88.8	-22.9	-177	-75.5	-176.2	168.7	-174.3	-3.4	114.1	K1131	K1131-R1133 PolarHBondContact O-N 3.24Å
1134	N	73.8	Confident	77.8	Confident	97 Å²	97	111.4 Å²	111.4	52%	0.519	50%	0.497	S	S	.	.	S	Bend	trans	-104.6	135.2	-178.3	-168.8	-8.8	0	0	0	111.7	A1136 E1137 R1138	N1134-A1136 VanDerWaalsContact C-N 3.28Å; N1134-A1136 PolarHBondContact O-N 3.46Å; N1134-A1136 PolarHBondContact OD1-N 2.97Å; N1134-E1137 HydrophobicContact CB-CB 4.36Å; N1134-E1137 PolarHBondContact O-N 3.47Å; N1134-E1137 VanDerWaalsContact O-N 3.12Å; N1134-R1138 PolarHBondContact O-N 2.96Å
1135	K	78.2	Confident	77.9	Confident	150 Å²	150	104.9 Å²	104.9	65%	0.652	48%	0.476	S	S	*	.	H	α-helix	trans	-56.9	-41.4	177.3	-176.4	179.3	177	-176.5	0	111.7	E1137 R1138 D1139	K1135-E1137 PolarHBondContact O-N 3.43Å; K1135-R1138 PolarHBondContact O-N 3.34Å; K1135-D1139 VanDerWaalsContact O-CG 3.32Å; K1135-D1139 PolarHBondContact O-N 2.95Å
1136	A	79.3	Confident	77.9	Confident	60 Å²	60	103.9 Å²	103.9	50%	0.496	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-33.1	178.9	0	0	0	0	0	112.8	N1134 R1140	N1134-A1136 VanDerWaalsContact C-N 3.28Å; N1134-A1136 PolarHBondContact O-N 3.46Å; N1134-A1136 PolarHBondContact OD1-N 2.97Å; A1136-R1140 WeakPolarHBondContact O-CB 3.42Å; A1136-R1140 PolarHBondContact O-N 3.48Å
1137	E	76.7	Confident	78.1	Confident	107 Å²	107	108.9 Å²	108.9	50%	0.5	49%	0.491	S	S	.	.	H	α-helix	trans	-77.3	-38.1	-179.9	-156	174.9	-174.4	0	0	111.7	L1132 N1134 K1135 R1140 R1141	L1132-E1137 HydrophobicContact CD2-CB 4.24Å; L1132-E1137 HydrophobicContact CD2-CG 3.75Å; N1134-E1137 HydrophobicContact CB-CB 4.36Å; N1134-E1137 PolarHBondContact O-N 3.47Å; N1134-E1137 VanDerWaalsContact O-N 3.12Å; K1135-E1137 PolarHBondContact O-N 3.43Å; E1137-R1140 PolarHBondContact O-N 3.24Å; E1137-R1141 WeakPolarHBondContact O-CB 3.41Å; E1137-R1141 PolarHBondContact O-N 3.47Å
1138	R	78.1	Confident	78.6	Confident	77 Å²	77	110.6 Å²	110.6	29%	0.291	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-46.4	170.5	-66.5	-170	-157.3	121.1	4.6	111.4	L1132 N1134 K1135 R1140 R1141 I1142	L1132-R1138 HydrophobicContact CB-CG 3.63Å; L1132-R1138 HydrophobicContact CD1-CG 4.04Å; L1132-R1138 HydrophobicContact CG-CG 4.41Å; L1132-R1138 VanDerWaalsContact O-CZ 3.26Å; L1132-R1138 PolarHBondContact O-NE 2.92Å; L1132-R1138 VanDerWaalsContact O-NE 3.08Å; L1132-R1138 PolarHBondContact O-NH2 3.37Å; N1134-R1138 PolarHBondContact O-N 2.96Å; K1135-R1138 PolarHBondContact O-N 3.34Å; R1138-R1140 VanDerWaalsContact C-N 3.29Å; R1138-R1140 PolarHBondContact O-N 3.45Å; R1138-R1141 PolarHBondContact O-N 2.98Å; R1138-R1141 VanDerWaalsContact O-N 3.13Å; R1138-I1142 WeakPolarHBondContact O-CG1 3.45Å; R1138-I1142 PolarHBondContact O-N 3.26Å
1139	D	80.3	Confident	78.9	Confident	67 Å²	67	105.4 Å²	105.4	36%	0.358	47%	0.465	S	S	.	.	H	α-helix	trans	-65.3	-33.8	179.9	-67.6	-16.2	0	0	0	111.8	K1135 R1143	K1135-D1139 VanDerWaalsContact O-CG 3.32Å; K1135-D1139 PolarHBondContact O-N 2.95Å; D1139-R1143 WeakPolarHBondContact O-CG 3.45Å; D1139-R1143 PolarHBondContact O-N 2.83Å; D1139-R1143 PolarHBondContact O-NE 3.47Å
1140	R	82	Confident	79.2	Confident	155 Å²	155	105.7 Å²	105.7	59%	0.585	47%	0.469	S	S	*	.	H	α-helix	trans	-65.6	-46.2	170.9	-176.2	-178.1	165.7	-157.3	-5.3	111.4	A1136 E1137 R1138 I1142 R1143 E1144	A1136-R1140 WeakPolarHBondContact O-CB 3.42Å; A1136-R1140 PolarHBondContact O-N 3.48Å; E1137-R1140 PolarHBondContact O-N 3.24Å; R1138-R1140 VanDerWaalsContact C-N 3.29Å; R1138-R1140 PolarHBondContact O-N 3.45Å; R1140-I1142 PolarHBondContact O-N 3.34Å; R1140-R1143 PolarHBondContact O-N 3.05Å; R1140-E1144 IonicContact CZ-OE1 2.74Å; R1140-E1144 IonicContact NE-OE1 2.65Å; R1140-E1144 PolarHBondContact NE-OE1 3.28Å; R1140-E1144 IonicContact NH2-OE1 2.87Å; R1140-E1144 PolarHBondContact NH2-OE1 3.43Å; R1140-E1144 PolarHBondContact O-N 3.01Å
1141	R	80.3	Confident	79.7	Confident	141 Å²	141	101.6 Å²	101.6	53%	0.532	46%	0.458	S	S	.	.	H	α-helix	trans	-67.1	-36.2	-178.5	-159.6	69	171.8	165.1	-3.2	112.7	V1126 E1137 R1138 E1144 L1145	V1126-R1141 HydrophobicContact CG1-CB 3.9Å; V1126-R1141 HydrophobicContact CG1-CG 4.11Å; V1126-R1141 HydrophobicContact CG2-CG 4.35Å; E1137-R1141 WeakPolarHBondContact O-CB 3.41Å; E1137-R1141 PolarHBondContact O-N 3.47Å; R1138-R1141 PolarHBondContact O-N 2.98Å; R1138-R1141 VanDerWaalsContact O-N 3.13Å; R1141-E1144 IonicContact NH1-OE2 2.65Å; R1141-E1144 PolarHBondContact NH1-OE2 2.91Å; R1141-E1144 VanDerWaalsContact NH1-OE2 3.07Å; R1141-L1145 VanDerWaalsContact O-CB 3.29Å; R1141-L1145 WeakPolarHBondContact O-CB 3.49Å; R1141-L1145 PolarHBondContact O-N 3.47Å
1142	I	81.6	Confident	80.3	Confident	31 Å²	31	99.1 Å²	99.1	16%	0.159	44%	0.443	C	S	.	.	H	α-helix	trans	-62.8	-43.4	172.2	-70.8	171.9	0	0	0	110.5	V1126 M1127 R1138 R1140 L1145 N1146	V1126-I1142 HydrophobicContact CB-CG1 4.07Å; V1126-I1142 HydrophobicContact CG1-CD1 4.45Å; V1126-I1142 HydrophobicContact CG1-CG1 3.73Å; M1127-I1142 HydrophobicContact CG-CD1 4.49Å; M1127-I1142 HydrophobicContact SD-CD1 4.11Å; R1138-I1142 WeakPolarHBondContact O-CG1 3.45Å; R1138-I1142 PolarHBondContact O-N 3.26Å; R1140-I1142 PolarHBondContact O-N 3.34Å; I1142-L1145 PolarHBondContact O-N 3.02Å; I1142-N1146 WeakPolarHBondContact CG2-ND2 3.36Å; I1142-N1146 VanDerWaalsContact O-CB 3.31Å; I1142-N1146 WeakPolarHBondContact O-CB 3.32Å; I1142-N1146 PolarHBondContact O-N 3.26Å; I1142-N1146 PolarHBondContact O-ND2 3.09Å
1143	R	81.3	Confident	81.4	Confident	159 Å²	159	99.5 Å²	99.5	60%	0.6	44%	0.444	S	S	*	.	H	α-helix	trans	-62.9	-49.8	176.4	-78.3	-177.6	-73	-165.8	1.5	112.5	D1139 R1140 L1145 N1146 D1147	D1139-R1143 WeakPolarHBondContact O-CG 3.45Å; D1139-R1143 PolarHBondContact O-N 2.83Å; D1139-R1143 PolarHBondContact O-NE 3.47Å; R1140-R1143 PolarHBondContact O-N 3.05Å; R1143-L1145 VanDerWaalsContact C-N 3.26Å; R1143-L1145 PolarHBondContact O-N 3.31Å; R1143-N1146 PolarHBondContact O-N 3.44Å; R1143-N1146 VanDerWaalsContact O-N 3.17Å; R1143-D1147 PolarHBondContact O-N 3.28Å
1144	E	83.2	Confident	82.2	Confident	68 Å²	68	93.2 Å²	93.2	32%	0.318	43%	0.427	S	S	.	.	H	α-helix	trans	-57.4	-40.4	177.1	-71.5	174.7	180	0	0	111.9	R1140 R1141 Y1148	R1140-E1144 IonicContact CZ-OE1 2.74Å; R1140-E1144 IonicContact NE-OE1 2.65Å; R1140-E1144 PolarHBondContact NE-OE1 3.28Å; R1140-E1144 IonicContact NH2-OE1 2.87Å; R1140-E1144 PolarHBondContact NH2-OE1 3.43Å; R1140-E1144 PolarHBondContact O-N 3.01Å; R1141-E1144 IonicContact NH1-OE2 2.65Å; R1141-E1144 PolarHBondContact NH1-OE2 2.91Å; R1141-E1144 VanDerWaalsContact NH1-OE2 3.07Å; E1144-Y1148 WeakPolarHBondContact O-CB 3.38Å; E1144-Y1148 PolarHBondContact O-N 3.19Å
1145	L	83.6	Confident	82.8	Confident	44 Å²	44	93 Å²	93	23%	0.23	43%	0.425	C	S	.	.	H	α-helix	trans	-73.3	-35.9	179.2	-167.5	59.2	0	0	0	112.4	V1126 R1141 I1142 R1143 Y1148 N1149	V1126-L1145 HydrophobicContact CG2-CD2 3.67Å; R1141-L1145 VanDerWaalsContact O-CB 3.29Å; R1141-L1145 WeakPolarHBondContact O-CB 3.49Å; R1141-L1145 PolarHBondContact O-N 3.47Å; I1142-L1145 PolarHBondContact O-N 3.02Å; R1143-L1145 VanDerWaalsContact C-N 3.26Å; R1143-L1145 PolarHBondContact O-N 3.31Å; L1145-Y1148 PolarHBondContact O-N 2.98Å; L1145-N1149 VanDerWaalsContact O-CB 3.28Å; L1145-N1149 WeakPolarHBondContact O-CB 3.41Å; L1145-N1149 VanDerWaalsContact O-CG 3.25Å; L1145-N1149 PolarHBondContact O-N 3.36Å; L1145-N1149 PolarHBondContact O-ND2 3.36Å
1146	N	83.1	Confident	83.2	Confident	49 Å²	49	89.1 Å²	89.1	26%	0.262	41%	0.41	S	S	.	.	H	α-helix	trans	-66.4	-40	172.9	-76.5	-23.8	0	0	0	111.6	N1123 I1142 R1143 N1149 T1150	N1123-N1146 PolarHBondContact OD1-OD1 3.42Å; I1142-N1146 WeakPolarHBondContact CG2-ND2 3.36Å; I1142-N1146 VanDerWaalsContact O-CB 3.31Å; I1142-N1146 WeakPolarHBondContact O-CB 3.32Å; I1142-N1146 PolarHBondContact O-N 3.26Å; I1142-N1146 PolarHBondContact O-ND2 3.09Å; R1143-N1146 PolarHBondContact O-N 3.44Å; R1143-N1146 VanDerWaalsContact O-N 3.17Å; N1146-N1149 PolarHBondContact O-N 2.99Å; N1146-T1150 VanDerWaalsContact O-CB 3.27Å; N1146-T1150 WeakPolarHBondContact O-CB 3.37Å; N1146-T1150 PolarHBondContact O-N 2.69Å; N1146-T1150 PolarHBondContact O-OG1 3.26Å
1147	D	83	Confident	83.6	Confident	114 Å²	114	92.3 Å²	92.3	61%	0.61	41%	0.409	S	S	*	.	H	α-helix	trans	-65.1	-43.8	175.7	-69	-18.4	0	0	0	110.9	R1143 T1150 K1151	R1143-D1147 PolarHBondContact O-N 3.28Å; D1147-T1150 PolarHBondContact O-N 3.21Å; D1147-K1151 PolarHBondContact O-N 3.12Å
1148	Y	85.9	Confident	84.1	Confident	149 Å²	149	93.9 Å²	93.9	58%	0.584	41%	0.414	S	S	*	.	H	α-helix	trans	-60.9	-48.4	174.2	176.7	-97.7	0	0	0	112.2	E1144 L1145 T1150 K1151 R1152	E1144-Y1148 WeakPolarHBondContact O-CB 3.38Å; E1144-Y1148 PolarHBondContact O-N 3.19Å; L1145-Y1148 PolarHBondContact O-N 2.98Å; Y1148-T1150 VanDerWaalsContact C-N 3.31Å; Y1148-T1150 PolarHBondContact O-N 2.97Å; Y1148-K1151 PolarHBondContact O-N 3.25Å; Y1148-R1152 WeakPolarHBondContact O-CB 3.27Å; Y1148-R1152 PolarHBondContact O-N 2.91Å
1149	N	85.3	Confident	84.6	Confident	6 Å²	6	95.9 Å²	95.9	3%	0.032	43%	0.43	C	S	.	.	H	α-helix	trans	-62.5	-39.9	177.6	-77.8	-23.6	0	0	0	111.2	S1122 L1145 N1146 R1152 F1153	S1122-N1149 WeakPolarHBondContact CB-ND2 3.27Å; S1122-N1149 PolarHBondContact OG-ND2 3.31Å; L1145-N1149 VanDerWaalsContact O-CB 3.28Å; L1145-N1149 WeakPolarHBondContact O-CB 3.41Å; L1145-N1149 VanDerWaalsContact O-CG 3.25Å; L1145-N1149 PolarHBondContact O-N 3.36Å; L1145-N1149 PolarHBondContact O-ND2 3.36Å; N1146-N1149 PolarHBondContact O-N 2.99Å; N1149-R1152 PolarHBondContact O-N 3Å; N1149-F1153 HydrophobicContact CB-CE2 3.99Å; N1149-F1153 HydrophobicContact CB-CZ 4.03Å; N1149-F1153 VanDerWaalsContact O-CB 3.32Å; N1149-F1153 WeakPolarHBondContact O-CB 3.18Å; N1149-F1153 WeakPolarHBondContact O-CD1 3.48Å; N1149-F1153 VanDerWaalsContact O-CD2 3.28Å; N1149-F1153 WeakPolarHBondContact O-CD2 3.5Å; N1149-F1153 WeakPolarHBondContact O-CG 3.29Å; N1149-F1153 PolarHBondContact O-N 3.47Å
1150	T	83.7	Confident	85	Confident	74 Å²	74	94.4 Å²	94.4	45%	0.454	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-48.7	177.5	-60.7	0	0	0	0	111	N1146 D1147 Y1148 R1152 F1153 I1154	N1146-T1150 VanDerWaalsContact O-CB 3.27Å; N1146-T1150 WeakPolarHBondContact O-CB 3.37Å; N1146-T1150 PolarHBondContact O-N 2.69Å; N1146-T1150 PolarHBondContact O-OG1 3.26Å; D1147-T1150 PolarHBondContact O-N 3.21Å; Y1148-T1150 VanDerWaalsContact C-N 3.31Å; Y1148-T1150 PolarHBondContact O-N 2.97Å; T1150-R1152 PolarHBondContact O-N 3.35Å; T1150-F1153 PolarHBondContact O-N 2.9Å; T1150-I1154 HydrophobicContact CG2-CD1 4Å; T1150-I1154 VanDerWaalsContact O-CG1 3.3Å; T1150-I1154 WeakPolarHBondContact O-CG1 3.33Å; T1150-I1154 PolarHBondContact O-N 2.57Å
1151	K	85.9	Confident	85.3	Confident	146 Å²	146	89.8 Å²	89.8	64%	0.635	42%	0.416	S	S	*	.	H	α-helix	trans	-59.6	-48	176.5	-172.9	175.5	179.8	178.1	0	111.6	D1147 Y1148 F1153 I1154 D1155	D1147-K1151 PolarHBondContact O-N 3.12Å; Y1148-K1151 PolarHBondContact O-N 3.25Å; K1151-F1153 VanDerWaalsContact C-N 3.31Å; K1151-F1153 PolarHBondContact O-N 2.92Å; K1151-I1154 PolarHBondContact O-N 3.07Å; K1151-D1155 PolarHBondContact O-N 3.32Å
1152	R	86.4	Confident	85.7	Confident	135 Å²	135	88.5 Å²	88.5	51%	0.509	42%	0.416	S	S	.	.	H	α-helix	trans	-59.9	-39.6	177.5	-175.8	-177.8	172.8	-163.3	-1	112.5	Y1148 N1149 T1150 D1155 Q1156	Y1148-R1152 WeakPolarHBondContact O-CB 3.27Å; Y1148-R1152 PolarHBondContact O-N 2.91Å; N1149-R1152 PolarHBondContact O-N 3Å; T1150-R1152 PolarHBondContact O-N 3.35Å; R1152-D1155 PolarHBondContact O-N 2.91Å; R1152-Q1156 WeakPolarHBondContact O-CB 3.31Å; R1152-Q1156 PolarHBondContact O-N 3.47Å
1153	F	90	Very high	86.1	Confident	29 Å²	29	89.9 Å²	89.9	13%	0.127	42%	0.419	C	S	.	.	H	α-helix	trans	-70.6	-34	178.9	-65.4	-16	0	0	0	112.5	Q1115 A1118 N1149 T1150 K1151 R1157	Q1115-F1153 HydrophobicContact CB-CD1 4.05Å; Q1115-F1153 HydrophobicContact CB-CD2 4.13Å; Q1115-F1153 HydrophobicContact CB-CE1 3.92Å; Q1115-F1153 HydrophobicContact CB-CE2 4Å; Q1115-F1153 HydrophobicContact CB-CG 4.16Å; Q1115-F1153 HydrophobicContact CB-CZ 3.89Å; Q1115-F1153 HydrophobicContact CG-CB 4.41Å; Q1115-F1153 HydrophobicContact CG-CD1 3.53Å; Q1115-F1153 HydrophobicContact CG-CD2 4.31Å; Q1115-F1153 HydrophobicContact CG-CE1 3.78Å; Q1115-F1153 HydrophobicContact CG-CG 3.82Å; Q1115-F1153 HydrophobicContact CG-CZ 4.27Å; Q1115-F1153 PolarHBondContact NE2-O 3.41Å; Q1115-F1153 VanDerWaalsContact O-CZ 3.26Å; Q1115-F1153 WeakPolarHBondContact O-CZ 3.4Å; A1118-F1153 HydrophobicContact CB-CZ 4.31Å; N1149-F1153 HydrophobicContact CB-CE2 3.99Å; N1149-F1153 HydrophobicContact CB-CZ 4.03Å; N1149-F1153 VanDerWaalsContact O-CB 3.32Å; N1149-F1153 WeakPolarHBondContact O-CB 3.18Å; N1149-F1153 WeakPolarHBondContact O-CD1 3.48Å; N1149-F1153 VanDerWaalsContact O-CD2 3.28Å; N1149-F1153 WeakPolarHBondContact O-CD2 3.5Å; N1149-F1153 WeakPolarHBondContact O-CG 3.29Å; N1149-F1153 PolarHBondContact O-N 3.47Å; T1150-F1153 PolarHBondContact O-N 2.9Å; K1151-F1153 VanDerWaalsContact C-N 3.31Å; K1151-F1153 PolarHBondContact O-N 2.92Å; F1153-R1157 WeakPolarHBondContact O-CB 3.5Å; F1153-R1157 VanDerWaalsContact O-CG 3.26Å; F1153-R1157 WeakPolarHBondContact O-CG 3.41Å; F1153-R1157 PolarHBondContact O-N 2.92Å
1154	I	84.9	Confident	86.6	Confident	100 Å²	100	83.3 Å²	83.3	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-64.4	-49.2	172.5	-69.2	166.3	0	0	0	110	T1150 K1151 Q1156 R1157 K1158	T1150-I1154 HydrophobicContact CG2-CD1 4Å; T1150-I1154 VanDerWaalsContact O-CG1 3.3Å; T1150-I1154 WeakPolarHBondContact O-CG1 3.33Å; T1150-I1154 PolarHBondContact O-N 2.57Å; K1151-I1154 PolarHBondContact O-N 3.07Å; I1154-Q1156 VanDerWaalsContact C-N 3.33Å; I1154-Q1156 PolarHBondContact O-N 3.04Å; I1154-R1157 PolarHBondContact O-N 3.28Å; I1154-K1158 PolarHBondContact O-N 2.94Å
1155	D	85.8	Confident	86.9	Confident	91 Å²	91	84.5 Å²	84.5	49%	0.487	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-41.3	179.6	-68.7	-24.4	0	0	0	111.7	K1151 R1152 K1158 L1159	K1151-D1155 PolarHBondContact O-N 3.32Å; R1152-D1155 PolarHBondContact O-N 2.91Å; D1155-K1158 PolarHBondContact O-N 3.1Å; D1155-L1159 PolarHBondContact O-N 3.23Å
1156	Q	86.6	Confident	87.3	Confident	70 Å²	70	88 Å²	88	33%	0.327	42%	0.417	S	S	.	.	H	α-helix	trans	-65	-40.1	176.4	-168	-179.4	30.9	0	0	112.5	M1111 Q1115 R1152 I1154 K1158 L1159 Q1160	M1111-Q1156 HydrophobicContact CG-CG 4.45Å; Q1115-Q1156 VanDerWaalsContact NE2-OE1 3.17Å; R1152-Q1156 WeakPolarHBondContact O-CB 3.31Å; R1152-Q1156 PolarHBondContact O-N 3.47Å; I1154-Q1156 VanDerWaalsContact C-N 3.33Å; I1154-Q1156 PolarHBondContact O-N 3.04Å; Q1156-K1158 VanDerWaalsContact C-N 3.35Å; Q1156-L1159 PolarHBondContact O-N 3.07Å; Q1156-Q1160 WeakPolarHBondContact O-CB 3.41Å; Q1156-Q1160 PolarHBondContact O-N 3.12Å
1157	R	88.2	Confident	87.6	Confident	127 Å²	127	86 Å²	86	48%	0.479	41%	0.406	S	S	.	.	H	α-helix	trans	-65.5	-39.1	175	-76.2	175.1	-172.3	-177.2	5.8	111.6	M1111 Q1115 F1153 I1154 Q1160 A1161	M1111-R1157 HydrophobicContact CE-CG 4.28Å; M1111-R1157 HydrophobicContact SD-CG 3.69Å; Q1115-R1157 VanDerWaalsContact OE1-NE 3.14Å; F1153-R1157 WeakPolarHBondContact O-CB 3.5Å; F1153-R1157 VanDerWaalsContact O-CG 3.26Å; F1153-R1157 WeakPolarHBondContact O-CG 3.41Å; F1153-R1157 PolarHBondContact O-N 2.92Å; I1154-R1157 PolarHBondContact O-N 3.28Å; R1157-Q1160 PolarHBondContact O-N 3.37Å; R1157-A1161 WeakPolarHBondContact O-CB 3.4Å; R1157-A1161 PolarHBondContact O-N 3.07Å
1158	K	87.1	Confident	88	Confident	139 Å²	139	83 Å²	83	60%	0.604	39%	0.392	S	S	*	.	H	α-helix	trans	-63.5	-45.4	176.6	-169.6	177.7	-179.5	-179.6	0	111.5	I1154 D1155 Q1156 A1161 Q1162	I1154-K1158 PolarHBondContact O-N 2.94Å; D1155-K1158 PolarHBondContact O-N 3.1Å; Q1156-K1158 VanDerWaalsContact C-N 3.35Å; K1158-A1161 PolarHBondContact O-N 2.88Å; K1158-Q1162 WeakPolarHBondContact O-CG 3.41Å; K1158-Q1162 PolarHBondContact O-N 2.7Å
1159	L	88.8	Confident	88.1	Confident	119 Å²	119	81 Å²	81	62%	0.623	39%	0.388	S	S	*	.	H	α-helix	trans	-65	-40.3	177.6	-172.1	66.9	0	0	0	112.2	D1155 Q1156 Q1162 R1163	D1155-L1159 PolarHBondContact O-N 3.23Å; Q1156-L1159 PolarHBondContact O-N 3.07Å; L1159-Q1162 PolarHBondContact O-N 2.79Å; L1159-R1163 PolarHBondContact O-N 3.1Å
1160	Q	88.1	Confident	88.3	Confident	37 Å²	37	84.6 Å²	84.6	17%	0.173	41%	0.405	C	S	.	.	H	α-helix	trans	-65	-42	175.8	-170.9	72.5	34.1	0	0	111.8	E1107 M1111 Q1156 R1157 Q1162 R1163 H1164	E1107-Q1160 PolarHBondContact OE2-NE2 3Å; M1111-Q1160 HydrophobicContact CE-CB 3.38Å; M1111-Q1160 HydrophobicContact CE-CG 3.46Å; M1111-Q1160 VanDerWaalsContact CE-CG 3.46Å; Q1156-Q1160 WeakPolarHBondContact O-CB 3.41Å; Q1156-Q1160 PolarHBondContact O-N 3.12Å; R1157-Q1160 PolarHBondContact O-N 3.37Å; Q1160-Q1162 VanDerWaalsContact C-N 3.34Å; Q1160-Q1162 PolarHBondContact O-N 2.95Å; Q1160-R1163 WeakPolarHBondContact O-CB 3.27Å; Q1160-R1163 PolarHBondContact O-N 2.81Å; Q1160-H1164 PolarHBondContact NE2-NE2 3.31Å; Q1160-H1164 PolarHBondContact O-N 3.13Å
1161	A	89	Confident	88.7	Confident	57 Å²	57	81.7 Å²	81.7	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.6	0	0	0	0	0	111.7	R1157 K1158 R1163 H1164 D1165	R1157-A1161 WeakPolarHBondContact O-CB 3.4Å; R1157-A1161 PolarHBondContact O-N 3.07Å; K1158-A1161 PolarHBondContact O-N 2.88Å; A1161-R1163 VanDerWaalsContact C-N 3.31Å; A1161-R1163 PolarHBondContact O-N 2.92Å; A1161-H1164 PolarHBondContact O-N 3.49Å; A1161-D1165 WeakPolarHBondContact O-CB 3.29Å; A1161-D1165 PolarHBondContact O-N 3.47Å
1162	Q	89.2	Confident	88.9	Confident	115 Å²	115	77.7 Å²	77.7	54%	0.537	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-38	173.8	-73.9	177.1	-20.4	0	0	112.4	K1158 L1159 Q1160 K1166	K1158-Q1162 WeakPolarHBondContact O-CG 3.41Å; K1158-Q1162 PolarHBondContact O-N 2.7Å; L1159-Q1162 PolarHBondContact O-N 2.79Å; Q1160-Q1162 VanDerWaalsContact C-N 3.34Å; Q1160-Q1162 PolarHBondContact O-N 2.95Å; Q1162-K1166 WeakPolarHBondContact O-CB 3.42Å; Q1162-K1166 PolarHBondContact O-N 3.26Å
1163	R	89.9	Confident	89	Confident	59 Å²	59	78.2 Å²	78.2	22%	0.223	38%	0.378	C	S	.	.	H	α-helix	trans	-66.6	-43	175.2	-173.6	-179.8	178.1	-157.9	-3.5	112	K960 D962 E1107 L1159 Q1160 A1161 K1166 Q1167	K960-R1163 PolarHBondContact O-NH2 3.31Å; D962-R1163 IonicContact OD1-CZ 3.83Å; D962-R1163 IonicContact OD1-NE 3.27Å; D962-R1163 PolarHBondContact OD1-NE 3.4Å; D962-R1163 VanDerWaalsContact OD1-NE 3.08Å; D962-R1163 IonicContact OD1-NH2 2.89Å; D962-R1163 PolarHBondContact OD1-NH2 3.41Å; E1107-R1163 IonicContact OE1-NH1 3.85Å; L1159-R1163 PolarHBondContact O-N 3.1Å; Q1160-R1163 WeakPolarHBondContact O-CB 3.27Å; Q1160-R1163 PolarHBondContact O-N 2.81Å; A1161-R1163 VanDerWaalsContact C-N 3.31Å; A1161-R1163 PolarHBondContact O-N 2.92Å; R1163-K1166 PolarHBondContact O-N 2.96Å; R1163-Q1167 WeakPolarHBondContact O-CG 3.42Å; R1163-Q1167 PolarHBondContact O-N 3.38Å
1164	H	91.8	Very high	89	Confident	22 Å²	22	82 Å²	82	10%	0.102	40%	0.396	C	S	.	.	H	α-helix	trans	-63	-43.3	177.1	-72.7	-178.1	0	0	0	111.9	Q1104 E1107 Q1160 A1161 K1166 Q1167 T1168	Q1104-H1164 VanDerWaalsContact CB-CE1 3.47Å; Q1104-H1164 WeakPolarHBondContact CB-CE1 3.35Å; Q1104-H1164 HydrophobicContact CG-CB 4.36Å; Q1104-H1164 PolarHBondContact NE2-O 3.48Å; Q1104-H1164 VanDerWaalsContact NE2-O 3.11Å; Q1104-H1164 PolarHBondContact O-CE1 3.42Å; E1107-H1164 IonicContact OE2-CD2 2.85Å; E1107-H1164 IonicContact OE2-CE1 3.98Å; E1107-H1164 IonicContact OE2-NE2 3.93Å; E1107-H1164 PolarHBondContact OE2-NE2 3.48Å; Q1160-H1164 PolarHBondContact NE2-NE2 3.31Å; Q1160-H1164 PolarHBondContact O-N 3.13Å; A1161-H1164 PolarHBondContact O-N 3.49Å; H1164-K1166 VanDerWaalsContact C-N 3.34Å; H1164-K1166 PolarHBondContact O-N 2.93Å; H1164-Q1167 PolarHBondContact O-N 2.95Å; H1164-T1168 PolarHBondContact O-N 3.27Å; H1164-T1168 PolarHBondContact O-OG1 3.48Å
1165	D	89.6	Confident	89.3	Confident	92 Å²	92	77.5 Å²	77.5	49%	0.492	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-44.1	174.9	-173.1	43.2	0	0	0	111.5	A1161 Q1167 T1168 Q1169	A1161-D1165 WeakPolarHBondContact O-CB 3.29Å; A1161-D1165 PolarHBondContact O-N 3.47Å; D1165-Q1167 PolarHBondContact O-N 3.44Å; D1165-T1168 PolarHBondContact O-N 2.97Å; D1165-Q1169 VanDerWaalsContact CG-NE2 3.3Å; D1165-Q1169 VanDerWaalsContact O-CG 3.31Å; D1165-Q1169 WeakPolarHBondContact O-CG 3.31Å; D1165-Q1169 PolarHBondContact O-N 3.5Å; D1165-Q1169 PolarHBondContact OD1-NE2 2.84Å; D1165-Q1169 PolarHBondContact OD2-NE2 2.78Å
1166	K	90.1	Very high	89.5	Confident	117 Å²	117	76.8 Å²	76.8	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-44.3	175.9	-170.2	-178.1	175.7	-161.8	0	112.7	Q1162 R1163 H1164 T1168 Q1169 E1170	Q1162-K1166 WeakPolarHBondContact O-CB 3.42Å; Q1162-K1166 PolarHBondContact O-N 3.26Å; R1163-K1166 PolarHBondContact O-N 2.96Å; H1164-K1166 VanDerWaalsContact C-N 3.34Å; H1164-K1166 PolarHBondContact O-N 2.93Å; K1166-T1168 VanDerWaalsContact C-N 3.34Å; K1166-T1168 PolarHBondContact O-N 2.72Å; K1166-Q1169 PolarHBondContact O-N 3.43Å; K1166-E1170 WeakPolarHBondContact CE-OE1 3.38Å; K1166-E1170 IonicContact NZ-OE1 2.73Å; K1166-E1170 WeakPolarHBondContact O-CG 3.2Å; K1166-E1170 PolarHBondContact O-N 3.03Å
1167	Q	89.8	Confident	89.6	Confident	9 Å²	9	77.8 Å²	77.8	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-62.2	-41.4	177	-71.9	170.1	-12.5	0	0	111.8	D962 L1100 R1163 H1164 D1165 E1170 L1171	D962-Q1167 PolarHBondContact OD1-NE2 2.9Å; L1100-Q1167 HydrophobicContact CD1-CB 4.29Å; L1100-Q1167 HydrophobicContact CD2-CB 4.4Å; R1163-Q1167 WeakPolarHBondContact O-CG 3.42Å; R1163-Q1167 PolarHBondContact O-N 3.38Å; H1164-Q1167 PolarHBondContact O-N 2.95Å; D1165-Q1167 PolarHBondContact O-N 3.44Å; Q1167-E1170 PolarHBondContact O-N 3.24Å; Q1167-L1171 PolarHBondContact O-N 2.98Å
1168	T	91	Very high	89.5	Confident	50 Å²	50	72.3 Å²	72.3	31%	0.307	36%	0.359	S	S	.	.	H	α-helix	trans	-65.7	-40.5	176.6	-60.4	0	0	0	0	111.6	H1164 D1165 K1166 L1171 N1172	H1164-T1168 PolarHBondContact O-N 3.27Å; H1164-T1168 PolarHBondContact O-OG1 3.48Å; D1165-T1168 PolarHBondContact O-N 2.97Å; K1166-T1168 VanDerWaalsContact C-N 3.34Å; K1166-T1168 PolarHBondContact O-N 2.72Å; T1168-L1171 PolarHBondContact O-N 3.27Å; T1168-N1172 WeakPolarHBondContact O-CB 3.43Å; T1168-N1172 VanDerWaalsContact O-CG 3.25Å; T1168-N1172 PolarHBondContact O-N 3.28Å; T1168-N1172 PolarHBondContact O-ND2 2.91Å
1169	Q	89.9	Confident	89.6	Confident	108 Å²	108	68.3 Å²	68.3	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-42.8	175.7	-71.5	174.4	19.9	0	0	112.3	D1165 K1166 N1172 K1173	D1165-Q1169 VanDerWaalsContact CG-NE2 3.3Å; D1165-Q1169 VanDerWaalsContact O-CG 3.31Å; D1165-Q1169 WeakPolarHBondContact O-CG 3.31Å; D1165-Q1169 PolarHBondContact O-N 3.5Å; D1165-Q1169 PolarHBondContact OD1-NE2 2.84Å; D1165-Q1169 PolarHBondContact OD2-NE2 2.78Å; K1166-Q1169 PolarHBondContact O-N 3.43Å; Q1169-N1172 PolarHBondContact O-N 2.85Å; Q1169-K1173 WeakPolarHBondContact O-CB 3.22Å; Q1169-K1173 PolarHBondContact O-N 3.42Å
1170	E	89.4	Confident	89.6	Confident	81 Å²	81	67.6 Å²	67.6	38%	0.379	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-42.5	176.7	-77.1	-179.6	178.2	0	0	111.8	K1166 Q1167 K1173 H1174	K1166-E1170 WeakPolarHBondContact CE-OE1 3.38Å; K1166-E1170 IonicContact NZ-OE1 2.73Å; K1166-E1170 WeakPolarHBondContact O-CG 3.2Å; K1166-E1170 PolarHBondContact O-N 3.03Å; Q1167-E1170 PolarHBondContact O-N 3.24Å; E1170-K1173 WeakPolarHBondContact O-CB 3.4Å; E1170-K1173 PolarHBondContact O-N 3.45Å; E1170-H1174 PolarHBondContact O-N 3.03Å; E1170-H1174 VanDerWaalsContact O-N 3.12Å; E1170-H1174 PolarHBondContact O-ND1 3.49Å
1171	L	90.9	Very high	89.6	Confident	12 Å²	12	71.4 Å²	71.4	6%	0.063	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-45.9	175.8	-176	60.4	0	0	0	111.7	F965 Q1096 K1097 L1100 Q1167 T1168 K1173 H1174 H1175	F965-L1171 HydrophobicContact CB-CD1 4.28Å; F965-L1171 HydrophobicContact CD2-CD1 3.62Å; F965-L1171 HydrophobicContact CD2-CD2 4.36Å; F965-L1171 HydrophobicContact CE2-CD1 4.21Å; F965-L1171 HydrophobicContact CE2-CD2 4.13Å; F965-L1171 HydrophobicContact CG-CD1 4.03Å; Q1096-L1171 HydrophobicContact CB-CD1 4.48Å; Q1096-L1171 HydrophobicContact CB-CD2 4.4Å; K1097-L1171 HydrophobicContact CG-CD2 4.14Å; L1100-L1171 HydrophobicContact CB-CD2 4.17Å; L1100-L1171 HydrophobicContact CD2-CB 4.27Å; L1100-L1171 HydrophobicContact CD2-CD2 3.75Å; Q1167-L1171 PolarHBondContact O-N 2.98Å; T1168-L1171 PolarHBondContact O-N 3.27Å; L1171-K1173 PolarHBondContact O-N 3.05Å; L1171-H1174 PolarHBondContact O-N 3.44Å; L1171-H1174 VanDerWaalsContact O-N 3.14Å; L1171-H1175 WeakPolarHBondContact CD1-NE2 3.4Å; L1171-H1175 PolarHBondContact O-N 2.92Å
1172	N	90.7	Very high	89.5	Confident	63 Å²	63	68.8 Å²	68.8	34%	0.337	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-33.8	176.9	-73.4	-27.3	0	0	0	112.4	K1097 T1168 Q1169 H1175 T1176	K1097-N1172 WeakPolarHBondContact CE-OD1 3.41Å; T1168-N1172 WeakPolarHBondContact O-CB 3.43Å; T1168-N1172 VanDerWaalsContact O-CG 3.25Å; T1168-N1172 PolarHBondContact O-N 3.28Å; T1168-N1172 PolarHBondContact O-ND2 2.91Å; Q1169-N1172 PolarHBondContact O-N 2.85Å; N1172-H1175 PolarHBondContact O-N 2.74Å; N1172-T1176 PolarHBondContact O-N 3.34Å; N1172-T1176 PolarHBondContact O-OG1 3.01Å
1173	K	89.3	Confident	89.5	Confident	145 Å²	145	65.6 Å²	65.6	63%	0.63	32%	0.318	S	S	*	.	H	α-helix	trans	-65.1	-43.4	174.6	-172.3	-179.6	179.2	-177.8	0	111.5	Q1169 E1170 L1171 T1176 L1177	Q1169-K1173 WeakPolarHBondContact O-CB 3.22Å; Q1169-K1173 PolarHBondContact O-N 3.42Å; E1170-K1173 WeakPolarHBondContact O-CB 3.4Å; E1170-K1173 PolarHBondContact O-N 3.45Å; L1171-K1173 PolarHBondContact O-N 3.05Å; K1173-T1176 PolarHBondContact O-N 3.12Å; K1173-L1177 WeakPolarHBondContact O-CG 3.47Å; K1173-L1177 PolarHBondContact O-N 3.45Å
1174	H	88.5	Confident	89.5	Confident	109 Å²	109	67.4 Å²	67.4	51%	0.505	33%	0.332	S	S	.	.	H	α-helix	trans	-64	-43.6	174.5	-72.2	76.1	0	0	0	111.2	E1170 L1171 T1176 L1177 D1178	E1170-H1174 PolarHBondContact O-N 3.03Å; E1170-H1174 VanDerWaalsContact O-N 3.12Å; E1170-H1174 PolarHBondContact O-ND1 3.49Å; L1171-H1174 PolarHBondContact O-N 3.44Å; L1171-H1174 VanDerWaalsContact O-N 3.14Å; H1174-T1176 PolarHBondContact O-N 3.32Å; H1174-L1177 WeakPolarHBondContact O-CA 3.39Å; H1174-L1177 WeakPolarHBondContact O-CB 3.5Å; H1174-L1177 PolarHBondContact O-N 3.26Å; H1174-D1178 VanDerWaalsContact O-CG 3.3Å; H1174-D1178 PolarHBondContact O-N 2.86Å
1175	H	91.7	Very high	89.3	Confident	6 Å²	6	67.5 Å²	67.5	3%	0.028	34%	0.339	C	S	.	.	H	α-helix	trans	-57.2	-36.8	175.4	-71.7	179.2	0	0	0	113.4	Q1093 Q1096 L1171 N1172 E1179	Q1093-H1175 HydrophobicContact CG-CB 4.1Å; Q1093-H1175 VanDerWaalsContact NE2-CB 3.35Å; Q1093-H1175 PolarHBondContact NE2-O 3.33Å; Q1093-H1175 PolarHBondContact O-CE1 2.9Å; Q1093-H1175 VanDerWaalsContact O-CE1 3.29Å; Q1096-H1175 PolarHBondContact OE1-NE2 3.35Å; L1171-H1175 WeakPolarHBondContact CD1-NE2 3.4Å; L1171-H1175 PolarHBondContact O-N 2.92Å; N1172-H1175 PolarHBondContact O-N 2.74Å; H1175-E1179 PolarHBondContact O-N 3.43Å
1176	T	89.5	Confident	89.3	Confident	76 Å²	76	63.5 Å²	63.5	47%	0.466	32%	0.317	S	S	.	.	H	α-helix	trans	-69.7	-37.7	176.2	-53.5	0	0	0	0	111.6	N1172 K1173 H1174 Q1180	N1172-T1176 PolarHBondContact O-N 3.34Å; N1172-T1176 PolarHBondContact O-OG1 3.01Å; K1173-T1176 PolarHBondContact O-N 3.12Å; H1174-T1176 PolarHBondContact O-N 3.32Å; T1176-Q1180 WeakPolarHBondContact O-CG 3.12Å; T1176-Q1180 PolarHBondContact O-N 3.49Å
1177	L	88.9	Confident	89.3	Confident	90 Å²	90	61.3 Å²	61.3	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-68.1	-42.3	176.4	-68.8	171.5	0	0	0	111.6	K1173 H1174 E1179 Q1180 E1181	K1173-L1177 WeakPolarHBondContact O-CG 3.47Å; K1173-L1177 PolarHBondContact O-N 3.45Å; H1174-L1177 WeakPolarHBondContact O-CA 3.39Å; H1174-L1177 WeakPolarHBondContact O-CB 3.5Å; H1174-L1177 PolarHBondContact O-N 3.26Å; L1177-E1179 VanDerWaalsContact C-N 3.31Å; L1177-E1179 PolarHBondContact O-N 3.44Å; L1177-Q1180 PolarHBondContact O-N 3.39Å; L1177-E1181 PolarHBondContact O-N 2.74Å
1178	D	86.7	Confident	89.4	Confident	13 Å²	13	67 Å²	67	7%	0.07	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-42.8	176.1	-63	-26	0	0	0	111.2	I968 M1089 H1174 Q1180 E1181 I1182	I968-D1178 HydrophobicContact CB-CB 4.25Å; M1089-D1178 HydrophobicContact SD-CB 4.36Å; H1174-D1178 VanDerWaalsContact O-CG 3.3Å; H1174-D1178 PolarHBondContact O-N 2.86Å; D1178-Q1180 PolarHBondContact O-N 2.96Å; D1178-E1181 PolarHBondContact O-N 3.3Å; D1178-I1182 WeakPolarHBondContact O-CD1 3.24Å; D1178-I1182 WeakPolarHBondContact O-CG1 3.35Å; D1178-I1182 PolarHBondContact O-N 3.23Å; D1178-I1182 VanDerWaalsContact O-N 3.12Å
1179	E	89.4	Confident	89.3	Confident	54 Å²	54	67.9 Å²	67.9	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-42.7	177.2	-171.8	164.1	-170.8	0	0	111.8	M1089 K1090 H1175 L1177 I1182 I1183	M1089-E1179 HydrophobicContact CE-CB 3.67Å; M1089-E1179 HydrophobicContact CE-CG 3.73Å; M1089-E1179 WeakPolarHBondContact SD-CA 3.29Å; M1089-E1179 HydrophobicContact SD-CB 3.8Å; M1089-E1179 HydrophobicContact SD-CG 4.33Å; K1090-E1179 IonicContact NZ-OE1 3.36Å; H1175-E1179 PolarHBondContact O-N 3.43Å; L1177-E1179 VanDerWaalsContact C-N 3.31Å; L1177-E1179 PolarHBondContact O-N 3.44Å; E1179-I1182 PolarHBondContact O-N 3.25Å; E1179-I1183 HydrophobicContact CG-CD1 3.95Å; E1179-I1183 VanDerWaalsContact O-CG1 3.25Å; E1179-I1183 WeakPolarHBondContact O-CG1 3.31Å; E1179-I1183 PolarHBondContact O-N 3.15Å
1180	Q	88.8	Confident	89.4	Confident	104 Å²	104	66.9 Å²	66.9	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-41.2	176.6	-72.4	178.5	-2	0	0	112.1	T1176 L1177 D1178 I1182 I1183 N1184	T1176-Q1180 WeakPolarHBondContact O-CG 3.12Å; T1176-Q1180 PolarHBondContact O-N 3.49Å; L1177-Q1180 PolarHBondContact O-N 3.39Å; D1178-Q1180 PolarHBondContact O-N 2.96Å; Q1180-I1182 PolarHBondContact O-N 3.44Å; Q1180-I1183 PolarHBondContact O-N 3.04Å; Q1180-N1184 VanDerWaalsContact O-CB 3.32Å; Q1180-N1184 WeakPolarHBondContact O-CB 3.49Å; Q1180-N1184 PolarHBondContact O-N 3.24Å; Q1180-N1184 PolarHBondContact O-ND2 3.45Å
1181	E	88.1	Confident	89.6	Confident	118 Å²	118	66.3 Å²	66.3	55%	0.551	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-44.3	178.4	-170.3	178.3	162	0	0	111.6	L1177 D1178 N1184 G1185	L1177-E1181 PolarHBondContact O-N 2.74Å; D1178-E1181 PolarHBondContact O-N 3.3Å; E1181-N1184 PolarHBondContact O-N 2.99Å; E1181-G1185 PolarHBondContact O-N 3.42Å
1182	I	86.5	Confident	89.6	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-65.3	-44.9	178.2	-68.7	158.1	0	0	0	111.3	I970 L973 L1085 M1089 D1178 E1179 Q1180 N1184 G1185 I1186	I970-I1182 HydrophobicContact CB-CG1 4.48Å; L973-I1182 HydrophobicContact CD1-CD1 3.29Å; L973-I1182 HydrophobicContact CD1-CG1 4.1Å; L1085-I1182 HydrophobicContact CB-CG2 3.96Å; M1089-I1182 HydrophobicContact CB-CD1 4Å; M1089-I1182 HydrophobicContact CG-CD1 3.79Å; M1089-I1182 HydrophobicContact SD-CD1 3.48Å; M1089-I1182 WeakPolarHBondContact SD-CD1 3.32Å; D1178-I1182 WeakPolarHBondContact O-CD1 3.24Å; D1178-I1182 WeakPolarHBondContact O-CG1 3.35Å; D1178-I1182 PolarHBondContact O-N 3.23Å; D1178-I1182 VanDerWaalsContact O-N 3.12Å; E1179-I1182 PolarHBondContact O-N 3.25Å; Q1180-I1182 PolarHBondContact O-N 3.44Å; I1182-N1184 VanDerWaalsContact C-N 3.32Å; I1182-N1184 PolarHBondContact O-N 2.99Å; I1182-G1185 PolarHBondContact O-N 2.9Å; I1182-I1186 HydrophobicContact CG2-CD1 4.09Å; I1182-I1186 WeakPolarHBondContact O-CG1 3.46Å; I1182-I1186 PolarHBondContact O-N 3.24Å; I1182-I1186 VanDerWaalsContact O-N 3.14Å
1183	I	89.2	Confident	89.7	Confident	49 Å²	49	69.8 Å²	69.8	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-44.9	178.3	-69.7	170.7	0	0	0	110.3	I1086 E1179 Q1180 I1186 K1187	I1086-I1183 HydrophobicContact CD1-CD1 4.32Å; I1086-I1183 HydrophobicContact CD1-CG1 4.11Å; E1179-I1183 HydrophobicContact CG-CD1 3.95Å; E1179-I1183 VanDerWaalsContact O-CG1 3.25Å; E1179-I1183 WeakPolarHBondContact O-CG1 3.31Å; E1179-I1183 PolarHBondContact O-N 3.15Å; Q1180-I1183 PolarHBondContact O-N 3.04Å; I1183-I1186 PolarHBondContact O-N 3.48Å; I1183-K1187 VanDerWaalsContact O-CB 3.29Å; I1183-K1187 WeakPolarHBondContact O-CB 3.44Å; I1183-K1187 PolarHBondContact O-N 3.44Å
1184	N	89.6	Confident	89.9	Confident	96 Å²	96	64.3 Å²	64.3	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-66.8	-39	179.2	-71.4	-20.4	0	0	0	112.1	Q1180 E1181 I1182 I1186 K1187 K1188	Q1180-N1184 VanDerWaalsContact O-CB 3.32Å; Q1180-N1184 WeakPolarHBondContact O-CB 3.49Å; Q1180-N1184 PolarHBondContact O-N 3.24Å; Q1180-N1184 PolarHBondContact O-ND2 3.45Å; E1181-N1184 PolarHBondContact O-N 2.99Å; I1182-N1184 VanDerWaalsContact C-N 3.32Å; I1182-N1184 PolarHBondContact O-N 2.99Å; N1184-I1186 PolarHBondContact O-N 3.28Å; N1184-K1187 PolarHBondContact O-N 3.03Å; N1184-K1188 WeakPolarHBondContact O-CB 3.46Å; N1184-K1188 PolarHBondContact O-N 3.03Å
1185	G	88.1	Confident	90	Very high	25 Å²	25	64.9 Å²	64.9	26%	0.258	31%	0.31	S	S	.	.	H	α-helix	trans	-57.8	-47.8	175.9	0	0	0	0	0	112.3	E1181 I1182 K1188 E1189	E1181-G1185 PolarHBondContact O-N 3.42Å; I1182-G1185 PolarHBondContact O-N 2.9Å; G1185-K1188 PolarHBondContact O-N 2.87Å; G1185-E1189 PolarHBondContact O-N 2.89Å
1186	I	89.8	Confident	89.9	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-73.2	-37.2	179.9	-58.6	168.9	0	0	0	111.4	I970 F1078 K1082 L1085 I1182 I1183 N1184 K1188 E1189 R1190	I970-I1186 HydrophobicContact CD1-CG1 4.24Å; F1078-I1186 HydrophobicContact CB-CG2 4.4Å; F1078-I1186 HydrophobicContact CD1-CG2 4.29Å; K1082-I1186 HydrophobicContact CB-CD1 3.76Å; K1082-I1186 HydrophobicContact CB-CG2 4.21Å; K1082-I1186 HydrophobicContact CG-CD1 4.17Å; L1085-I1186 HydrophobicContact CB-CD1 4.4Å; L1085-I1186 HydrophobicContact CD1-CD1 3.59Å; L1085-I1186 HydrophobicContact CD1-CG1 4.24Å; I1182-I1186 HydrophobicContact CG2-CD1 4.09Å; I1182-I1186 WeakPolarHBondContact O-CG1 3.46Å; I1182-I1186 PolarHBondContact O-N 3.24Å; I1182-I1186 VanDerWaalsContact O-N 3.14Å; I1183-I1186 PolarHBondContact O-N 3.48Å; N1184-I1186 PolarHBondContact O-N 3.28Å; I1186-K1188 VanDerWaalsContact C-N 3.27Å; I1186-K1188 PolarHBondContact O-N 2.84Å; I1186-E1189 PolarHBondContact O-N 3.2Å; I1186-R1190 WeakPolarHBondContact O-CB 3.45Å; I1186-R1190 PolarHBondContact O-N 3.01Å
1187	K	89.3	Confident	89.9	Confident	72 Å²	72	68.4 Å²	68.4	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-57.5	-43.6	174.3	-172.5	-173.7	177.5	-154.8	0	110.4	E578 I1183 N1184 R1190 E1191	E578-K1187 IonicContact OE1-NZ 3.59Å; E578-K1187 PolarHBondContact OE1-NZ 2.87Å; I1183-K1187 VanDerWaalsContact O-CB 3.29Å; I1183-K1187 WeakPolarHBondContact O-CB 3.44Å; I1183-K1187 PolarHBondContact O-N 3.44Å; N1184-K1187 PolarHBondContact O-N 3.03Å; K1187-R1190 WeakPolarHBondContact O-CB 3.44Å; K1187-R1190 PolarHBondContact O-N 3.36Å; K1187-E1191 WeakPolarHBondContact CE-OE1 3.49Å; K1187-E1191 IonicContact NZ-OE1 3.92Å; K1187-E1191 WeakPolarHBondContact O-CG 3.02Å; K1187-E1191 PolarHBondContact O-N 3.16Å
1188	K	91.3	Very high	89.8	Confident	127 Å²	127	69.1 Å²	69.1	55%	0.552	32%	0.319	S	S	*	.	H	α-helix	trans	-62.3	-47.6	176.9	-172	-177	177.4	-173	0	112.5	N1184 G1185 I1186 R1190 E1191 E1192	N1184-K1188 WeakPolarHBondContact O-CB 3.46Å; N1184-K1188 PolarHBondContact O-N 3.03Å; G1185-K1188 PolarHBondContact O-N 2.87Å; I1186-K1188 VanDerWaalsContact C-N 3.27Å; I1186-K1188 PolarHBondContact O-N 2.84Å; K1188-R1190 VanDerWaalsContact C-N 3.28Å; K1188-R1190 PolarHBondContact O-N 3.43Å; K1188-E1191 PolarHBondContact O-N 3.47Å; K1188-E1192 VanDerWaalsContact CE-OE1 3.25Å; K1188-E1192 WeakPolarHBondContact CE-OE1 3.15Å; K1188-E1192 WeakPolarHBondContact O-CG 3.32Å; K1188-E1192 PolarHBondContact O-N 3.5Å
1189	E	89.7	Confident	89.8	Confident	70 Å²	70	74.7 Å²	74.7	33%	0.327	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-39.8	176	-69.2	-177.5	-170.7	0	0	111.8	F1078 G1185 I1186 E1192 F1193	F1078-E1189 HydrophobicContact CD1-CB 4.4Å; F1078-E1189 HydrophobicContact CE1-CB 3.71Å; F1078-E1189 HydrophobicContact CZ-CB 4.41Å; G1185-E1189 PolarHBondContact O-N 2.89Å; I1186-E1189 PolarHBondContact O-N 3.2Å; E1189-E1192 PolarHBondContact O-N 3.36Å; E1189-F1193 PolarHBondContact O-N 2.99Å
1190	R	93.1	Very high	89.6	Confident	86 Å²	86	76 Å²	76	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-44.2	177.2	-174.8	179.1	-177	-86.6	0.9	111.7	L1075 F1078 I1186 K1187 K1188 F1193 I1194	L1075-R1190 HydrophobicContact CD2-CG 3.97Å; F1078-R1190 HydrophobicContact CB-CB 4.34Å; F1078-R1190 HydrophobicContact CB-CG 4.33Å; F1078-R1190 HydrophobicContact CD1-CB 4.36Å; F1078-R1190 HydrophobicContact CD2-CB 4.16Å; F1078-R1190 HydrophobicContact CD2-CG 4.1Å; F1078-R1190 HydrophobicContact CG-CB 4.05Å; F1078-R1190 HydrophobicContact CG-CG 4.27Å; I1186-R1190 WeakPolarHBondContact O-CB 3.45Å; I1186-R1190 PolarHBondContact O-N 3.01Å; K1187-R1190 WeakPolarHBondContact O-CB 3.44Å; K1187-R1190 PolarHBondContact O-N 3.36Å; K1188-R1190 VanDerWaalsContact C-N 3.28Å; K1188-R1190 PolarHBondContact O-N 3.43Å; R1190-F1193 PolarHBondContact O-N 2.89Å; R1190-I1194 HydrophobicContact CG-CD1 4.16Å; R1190-I1194 VanDerWaalsContact O-CG1 3.29Å; R1190-I1194 WeakPolarHBondContact O-CG1 3.46Å; R1190-I1194 PolarHBondContact O-N 2.69Å
1191	E	91.8	Very high	89.3	Confident	69 Å²	69	74.1 Å²	74.1	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-66.4	-39.7	177.3	-74.3	172.7	-173	0	0	112.7	K1187 K1188 F1193 I1194 R1195	K1187-E1191 WeakPolarHBondContact CE-OE1 3.49Å; K1187-E1191 IonicContact NZ-OE1 3.92Å; K1187-E1191 WeakPolarHBondContact O-CG 3.02Å; K1187-E1191 PolarHBondContact O-N 3.16Å; K1188-E1191 PolarHBondContact O-N 3.47Å; E1191-F1193 VanDerWaalsContact C-N 3.3Å; E1191-F1193 PolarHBondContact O-N 3.01Å; E1191-I1194 PolarHBondContact O-N 3.18Å; E1191-R1195 PolarHBondContact O-N 3.39Å
1192	E	92.2	Very high	88.8	Confident	97 Å²	97	76 Å²	76	45%	0.453	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-40	173.1	-73.8	175.6	-171.6	0	0	111.6	K1188 E1189 K1196	K1188-E1192 VanDerWaalsContact CE-OE1 3.25Å; K1188-E1192 WeakPolarHBondContact CE-OE1 3.15Å; K1188-E1192 WeakPolarHBondContact O-CG 3.32Å; K1188-E1192 PolarHBondContact O-N 3.5Å; E1189-E1192 PolarHBondContact O-N 3.36Å; E1192-K1196 PolarHBondContact O-N 2.97Å; E1192-K1196 VanDerWaalsContact O-N 3.12Å
1193	F	93.2	Very high	88.4	Confident	52 Å²	52	79.2 Å²	79.2	23%	0.228	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-42.7	174.1	179	-102.8	0	0	0	112.8	Y1071 V1074 L1075 F1078 E1189 R1190 E1191 K1196 Y1197	Y1071-F1193 HydrophobicContact CD2-CD1 4.31Å; Y1071-F1193 AromaticContact CD2-CE1 3.59Å; Y1071-F1193 HydrophobicContact CD2-CE1 3.59Å; Y1071-F1193 HydrophobicContact CD2-CZ 4.3Å; Y1071-F1193 HydrophobicContact CE2-CD1 4.45Å; Y1071-F1193 HydrophobicContact CE2-CE1 4.16Å; Y1071-F1193 HydrophobicContact CG-CE1 4.49Å; V1074-F1193 HydrophobicContact CB-CE1 3.71Å; V1074-F1193 HydrophobicContact CB-CE2 4.14Å; V1074-F1193 HydrophobicContact CB-CZ 3.49Å; V1074-F1193 VanDerWaalsContact CB-CZ 3.49Å; V1074-F1193 HydrophobicContact CG1-CD1 3.97Å; V1074-F1193 HydrophobicContact CG1-CD2 4.01Å; V1074-F1193 HydrophobicContact CG1-CE1 3.6Å; V1074-F1193 HydrophobicContact CG1-CE2 3.65Å; V1074-F1193 HydrophobicContact CG1-CG 4.16Å; V1074-F1193 HydrophobicContact CG1-CZ 3.44Å; V1074-F1193 VanDerWaalsContact CG1-CZ 3.44Å; V1074-F1193 HydrophobicContact CG2-CE2 4.46Å; V1074-F1193 HydrophobicContact CG2-CZ 4.04Å; L1075-F1193 HydrophobicContact CD2-CD1 4.29Å; F1078-F1193 HydrophobicContact CE2-CB 3.73Å; F1078-F1193 AromaticContact CE2-CD1 3.95Å; F1078-F1193 HydrophobicContact CE2-CD1 3.95Å; F1078-F1193 AromaticContact CE2-CG 3.84Å; F1078-F1193 HydrophobicContact CE2-CG 3.84Å; F1078-F1193 HydrophobicContact CZ-CB 3.94Å; F1078-F1193 HydrophobicContact CZ-CG 4.38Å; E1189-F1193 PolarHBondContact O-N 2.99Å; R1190-F1193 PolarHBondContact O-N 2.89Å; E1191-F1193 VanDerWaalsContact C-N 3.3Å; E1191-F1193 PolarHBondContact O-N 3.01Å; F1193-K1196 PolarHBondContact O-N 3.49Å; F1193-Y1197 PolarHBondContact O-N 3.37Å
1194	I	92.2	Very high	87.7	Confident	30 Å²	30	80.7 Å²	80.7	15%	0.154	40%	0.395	C	S	.	.	H	α-helix	trans	-61.6	-47.7	177.7	-68.3	166.5	0	0	0	110.8	Y1071 L1075 R1190 E1191 K1196 Y1197 E1198	Y1071-I1194 HydrophobicContact CE2-CG1 4.02Å; L1075-I1194 HydrophobicContact CD2-CD1 4.09Å; L1075-I1194 HydrophobicContact CD2-CG1 3.91Å; R1190-I1194 HydrophobicContact CG-CD1 4.16Å; R1190-I1194 VanDerWaalsContact O-CG1 3.29Å; R1190-I1194 WeakPolarHBondContact O-CG1 3.46Å; R1190-I1194 PolarHBondContact O-N 2.69Å; E1191-I1194 PolarHBondContact O-N 3.18Å; I1194-K1196 VanDerWaalsContact C-N 3.3Å; I1194-K1196 PolarHBondContact O-N 2.95Å; I1194-Y1197 WeakPolarHBondContact O-CB 3.49Å; I1194-Y1197 PolarHBondContact O-N 3.35Å; I1194-Y1197 VanDerWaalsContact O-N 3.12Å; I1194-E1198 HydrophobicContact CG2-CG 4.48Å; I1194-E1198 WeakPolarHBondContact O-CG 3.37Å; I1194-E1198 PolarHBondContact O-N 3.32Å
1195	R	90.5	Very high	86.5	Confident	120 Å²	120	84.8 Å²	84.8	45%	0.453	41%	0.408	S	S	.	.	H	α-helix	trans	-56.4	-44.9	176.3	-77.5	-172.6	-73.3	-109.8	-3.2	111.9	E1191 Y1197 E1198 E1199	E1191-R1195 PolarHBondContact O-N 3.39Å; R1195-Y1197 VanDerWaalsContact C-N 3.33Å; R1195-Y1197 PolarHBondContact O-N 3.41Å; R1195-E1198 PolarHBondContact O-N 2.93Å; R1195-E1199 WeakPolarHBondContact O-CG 3.29Å; R1195-E1199 PolarHBondContact O-N 3.35Å
1196	K	90.1	Very high	85.1	Confident	125 Å²	125	92.9 Å²	92.9	54%	0.543	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-40.5	177.6	-173.9	176.9	-180	179	0	112.3	E1192 F1193 I1194 E1199 D1200	E1192-K1196 PolarHBondContact O-N 2.97Å; E1192-K1196 VanDerWaalsContact O-N 3.12Å; F1193-K1196 PolarHBondContact O-N 3.49Å; I1194-K1196 VanDerWaalsContact C-N 3.3Å; I1194-K1196 PolarHBondContact O-N 2.95Å; K1196-E1199 PolarHBondContact O-N 2.76Å; K1196-D1200 WeakPolarHBondContact O-CB 3.4Å; K1196-D1200 VanDerWaalsContact O-CG 3.3Å; K1196-D1200 PolarHBondContact O-N 3.01Å
1197	Y	90.2	Very high	83.7	Confident	31 Å²	31	94.9 Å²	94.9	12%	0.122	45%	0.448	C	S	.	.	H	α-helix	trans	-64.7	-40.6	176.3	172.2	-103.4	0	0	0	112.5	M1067 Y1071 F1193 I1194 R1195 D1200 L1201	M1067-Y1197 HydrophobicContact CE-CD2 3.48Å; M1067-Y1197 VanDerWaalsContact CE-CD2 3.48Å; M1067-Y1197 HydrophobicContact CE-CE2 3.59Å; M1067-Y1197 HydrophobicContact CE-CG 4.35Å; M1067-Y1197 WeakPolarHBondContact CE-O 3.45Å; M1067-Y1197 HydrophobicContact CG-CD2 4.33Å; M1067-Y1197 HydrophobicContact CG-CE2 3.84Å; M1067-Y1197 HydrophobicContact SD-CE2 4.31Å; Y1071-Y1197 HydrophobicContact CD1-CD1 4.18Å; Y1071-Y1197 AromaticContact CD1-CE1 3.81Å; Y1071-Y1197 HydrophobicContact CD1-CE1 3.81Å; Y1071-Y1197 HydrophobicContact CD1-CE2 4.45Å; Y1071-Y1197 AromaticContact CD1-CZ 3.98Å; Y1071-Y1197 AromaticContact CD2-CD1 3.34Å; Y1071-Y1197 HydrophobicContact CD2-CD1 3.34Å; Y1071-Y1197 AromaticContact CD2-CD2 3.63Å; Y1071-Y1197 HydrophobicContact CD2-CD2 3.63Å; Y1071-Y1197 AromaticContact CD2-CE1 3.83Å; Y1071-Y1197 HydrophobicContact CD2-CE1 3.83Å; Y1071-Y1197 HydrophobicContact CD2-CE2 4.09Å; Y1071-Y1197 AromaticContact CD2-CG 3.22Å; Y1071-Y1197 HydrophobicContact CD2-CG 3.22Å; Y1071-Y1197 HydrophobicContact CE1-CD1 4.23Å; Y1071-Y1197 HydrophobicContact CE1-CE1 4.01Å; Y1071-Y1197 AromaticContact CE2-CD1 3.4Å; Y1071-Y1197 HydrophobicContact CE2-CD1 3.4Å; Y1071-Y1197 HydrophobicContact CE2-CD2 4.48Å; Y1071-Y1197 HydrophobicContact CE2-CE1 4.02Å; Y1071-Y1197 AromaticContact CE2-CG 3.67Å; Y1071-Y1197 HydrophobicContact CE2-CG 3.67Å; Y1071-Y1197 AromaticContact CG-CD1 3.74Å; Y1071-Y1197 HydrophobicContact CG-CD1 3.74Å; Y1071-Y1197 AromaticContact CG-CD2 3.78Å; Y1071-Y1197 HydrophobicContact CG-CD2 3.78Å; Y1071-Y1197 AromaticContact CG-CE1 3.7Å; Y1071-Y1197 HydrophobicContact CG-CE1 3.7Å; Y1071-Y1197 AromaticContact CG-CE2 3.75Å; Y1071-Y1197 HydrophobicContact CG-CE2 3.75Å; Y1071-Y1197 AromaticContact CG-CG 3.77Å; Y1071-Y1197 HydrophobicContact CG-CG 3.77Å; Y1071-Y1197 AromaticContact CG-CZ 3.72Å; Y1071-Y1197 AromaticContact CZ-CD1 3.84Å; F1193-Y1197 PolarHBondContact O-N 3.37Å; I1194-Y1197 WeakPolarHBondContact O-CB 3.49Å; I1194-Y1197 PolarHBondContact O-N 3.35Å; I1194-Y1197 VanDerWaalsContact O-N 3.12Å; R1195-Y1197 VanDerWaalsContact C-N 3.33Å; R1195-Y1197 PolarHBondContact O-N 3.41Å; Y1197-D1200 PolarHBondContact O-N 3.46Å; Y1197-L1201 HydrophobicContact CD1-CD1 3.8Å; Y1197-L1201 HydrophobicContact CE1-CD1 3.21Å; Y1197-L1201 HydrophobicContact CE1-CG 4.17Å; Y1197-L1201 HydrophobicContact CE2-CD1 4.25Å; Y1197-L1201 HydrophobicContact CE2-CG 4.4Å; Y1197-L1201 VanDerWaalsContact CZ-CD1 3.47Å; Y1197-L1201 WeakPolarHBondContact O-CB 3.44Å; Y1197-L1201 PolarHBondContact O-N 3.34Å
1198	E	87.1	Confident	81.8	Confident	105 Å²	105	96 Å²	96	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-64.1	-41.5	174.8	-70.1	173.3	172.2	0	0	111.8	I1194 R1195 L1201 L1202	I1194-E1198 HydrophobicContact CG2-CG 4.48Å; I1194-E1198 WeakPolarHBondContact O-CG 3.37Å; I1194-E1198 PolarHBondContact O-N 3.32Å; R1195-E1198 PolarHBondContact O-N 2.93Å; E1198-L1201 WeakPolarHBondContact O-CB 3.49Å; E1198-L1201 PolarHBondContact O-N 3.5Å; E1198-L1202 WeakPolarHBondContact O-CG 3.31Å; E1198-L1202 PolarHBondContact O-N 3.09Å
1199	E	86.1	Confident	80.2	Confident	130 Å²	130	92 Å²	92	61%	0.607	45%	0.447	S	S	*	.	H	α-helix	trans	-60.8	-46.1	172.9	-73.9	176.3	-178.9	0	0	111.8	R1195 K1196 L1201 L1202 A1203	R1195-E1199 WeakPolarHBondContact O-CG 3.29Å; R1195-E1199 PolarHBondContact O-N 3.35Å; K1196-E1199 PolarHBondContact O-N 2.76Å; E1199-L1201 VanDerWaalsContact C-N 3.28Å; E1199-L1201 PolarHBondContact O-N 3.36Å; E1199-L1202 PolarHBondContact O-N 3.06Å; E1199-A1203 WeakPolarHBondContact O-CB 3.42Å; E1199-A1203 PolarHBondContact O-N 3.22Å
1200	D	84.6	Confident	78.2	Confident	81 Å²	81	95.3 Å²	95.3	43%	0.433	47%	0.466	S	S	.	.	H	α-helix	trans	-63.6	-34.8	177.3	-73.8	-23.8	0	0	0	111.3	M1067 K1196 Y1197 A1203 L1204	M1067-D1200 HydrophobicContact CE-CB 3.26Å; K1196-D1200 WeakPolarHBondContact O-CB 3.4Å; K1196-D1200 VanDerWaalsContact O-CG 3.3Å; K1196-D1200 PolarHBondContact O-N 3.01Å; Y1197-D1200 PolarHBondContact O-N 3.46Å; D1200-A1203 PolarHBondContact O-N 3.48Å; D1200-L1204 PolarHBondContact O-N 3.31Å
1201	L	81.6	Confident	77.5	Confident	65 Å²	65	95.8 Å²	95.8	34%	0.34	47%	0.473	S	S	.	.	H	α-helix	trans	-67.6	-43.8	176.7	-97.8	168.1	0	0	0	111.2	M1067 Y1197 E1198 E1199 A1203 L1204	M1067-L1201 HydrophobicContact CE-CB 4.38Å; M1067-L1201 HydrophobicContact CE-CG 3.9Å; M1067-L1201 HydrophobicContact SD-CG 4.39Å; Y1197-L1201 HydrophobicContact CD1-CD1 3.8Å; Y1197-L1201 HydrophobicContact CE1-CD1 3.21Å; Y1197-L1201 HydrophobicContact CE1-CG 4.17Å; Y1197-L1201 HydrophobicContact CE2-CD1 4.25Å; Y1197-L1201 HydrophobicContact CE2-CG 4.4Å; Y1197-L1201 VanDerWaalsContact CZ-CD1 3.47Å; Y1197-L1201 WeakPolarHBondContact O-CB 3.44Å; Y1197-L1201 PolarHBondContact O-N 3.34Å; E1198-L1201 WeakPolarHBondContact O-CB 3.49Å; E1198-L1201 PolarHBondContact O-N 3.5Å; E1199-L1201 VanDerWaalsContact C-N 3.28Å; E1199-L1201 PolarHBondContact O-N 3.36Å; L1201-A1203 PolarHBondContact O-N 3.34Å; L1201-L1204 WeakPolarHBondContact O-CB 3.31Å; L1201-L1204 PolarHBondContact O-N 2.95Å
1202	L	78.6	Confident	76.7	Confident	158 Å²	158	97.2 Å²	97.2	83%	0.827	48%	0.481	S	S	*	.	H	α-helix	trans	-65.2	-30.6	175.6	-71.8	168	0	0	0	111.9	E1198 E1199 L1204	E1198-L1202 WeakPolarHBondContact O-CG 3.31Å; E1198-L1202 PolarHBondContact O-N 3.09Å; E1199-L1202 PolarHBondContact O-N 3.06Å; L1202-L1204 VanDerWaalsContact C-N 3.32Å
1203	A	78.9	Confident	75.9	Confident	69 Å²	69	97.2 Å²	97.2	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-77.6	-13.5	176.2	0	0	0	0	0	113.8	E1199 D1200 L1201 K1205	E1199-A1203 WeakPolarHBondContact O-CB 3.42Å; E1199-A1203 PolarHBondContact O-N 3.22Å; D1200-A1203 PolarHBondContact O-N 3.48Å; L1201-A1203 PolarHBondContact O-N 3.34Å; A1203-K1205 PolarHBondContact O-N 3.46Å
1204	L	72.9	Confident	74.9	Confident	80 Å²	80	99.9 Å²	99.9	42%	0.419	50%	0.497	S	S	.	.			trans	-72.1	93.6	-175	-160.9	77.8	0	0	0	111.6	D1200 L1201 L1202	D1200-L1204 PolarHBondContact O-N 3.31Å; L1201-L1204 WeakPolarHBondContact O-CB 3.31Å; L1201-L1204 PolarHBondContact O-N 2.95Å; L1202-L1204 VanDerWaalsContact C-N 3.32Å
1205	K	64.7	Low	73.8	Confident	182 Å²	182	104.3 Å²	104.3	79%	0.791	52%	0.519	S	S	*	.			trans	-83.3	150.6	174.1	-66.3	-177.1	-178.5	179.5	0	111.7	A1203 A1207	A1203-K1205 PolarHBondContact O-N 3.46Å; K1205-A1207 PolarHBondContact O-N 3.08Å
1206	R	60.3	Low	72.7	Confident	195 Å²	195	103.2 Å²	103.2	74%	0.736	52%	0.523	S	S	*	.			trans	-57.3	111	168.1	-79	-173.8	176.6	175.3	-2.7	109.1	T1056	T1056-R1206 HydrophobicContact CG2-CB 4.37Å
1207	A	58.3	Low	71.4	Confident	48 Å²	48	101.6 Å²	101.6	40%	0.397	52%	0.522	S	S	.	.			trans	-102.5	112.9	178.3	0	0	0	0	0	109.3	K1205	K1205-A1207 PolarHBondContact O-N 3.08Å
1208	T	51.4	Low	70	Confident	95 Å²	95	107.1 Å²	107.1	58%	0.583	55%	0.552	S	S	*	*			trans	-70.4	132.1	169.5	-0.1	0	0	0	0	109.1	V1052 T1056	V1052-T1208 HydrophobicContact CG1-CG2 3.72Å; T1056-T1208 HydrophobicContact CG2-CG2 4.4Å; T1056-T1208 WeakPolarHBondContact OG1-CG2 3.44Å
1209	V	56.9	Low	68.5	Low	45 Å²	45	107.3 Å²	107.3	27%	0.273	56%	0.557	S	S	.	*			trans	-114.1	35.3	-177.7	-161.1	0	0	0	0	111.7	L1005 W1059	L1005-V1209 HydrophobicContact CD1-CG1 3.63Å; W1059-V1209 HydrophobicContact CB-CG2 4.01Å; W1059-V1209 HydrophobicContact CD2-CG2 3.6Å; W1059-V1209 HydrophobicContact CE3-CG2 4.31Å; W1059-V1209 HydrophobicContact CG-CG2 3.41Å; W1059-V1209 VanDerWaalsContact CG-CG2 3.41Å; W1059-V1209 HydrophobicContact CZ2-CG2 4.45Å
1210	I	48.2	Very low	66.9	Low	139 Å²	139	105.2 Å²	105.2	71%	0.713	55%	0.553	S	S	*	*			trans	-104.5	0	178.6	-66	-176.3	0	0	0	110.7	V1052	V1052-I1210 VanDerWaalsContact CA-CD1 3.42Å; V1052-I1210 HydrophobicContact CB-CD1 3.59Å; V1052-I1210 HydrophobicContact CG1-CD1 3.83Å; V1052-I1210 HydrophobicContact CG2-CD1 3.21Å; V1052-I1210 HydrophobicContact CG2-CG1 4.49Å

Retrieved 1,210 of 1,210 residues in 768 ms (Link to these results)

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