GCY17_CAEEL Loading...

Receptor-type guanylate cyclase gcy-17

Guanylate cyclase involved in the production of the second messenger cGMP (By similarity).

AlphaFold DB , UniProt , Accession X5M8U1, Species CAEEL (Caenorhabditis elegans), Gene gcy-17, Length 1,088 aa.

						>GCY17_CAEEL|X5M8U1|gcy-17
MLFLRLFIFTPFLILANCQARRTIKVGLLFVQNVSSLQVGIGYRTSAAAVLVTKNKIREDHVLDGFDFEFLWDFDECNEILGAGKTVDLLEVKKVDVIFGPTCSRPALISSALATYYNIPIFEWGLTSTRQLTDVKRFPTTLPFSVNSYSLAMAILGTLKQFQWTEFVFLYCNDGDDEKCESLKDDVQTVASAHEELSLAYTFRIQSKKLEDMRAAIVEIKKRGRIIVACVASGNGSKRTLMQAVALENANNSEYVYIMAETNSRGFVVEEVGGKWHYLWEGKFDDSDTFSTEDSRTSMANLLFLVDNMGMNNVVTPQYLNFSKNVIEMMKDEPFNCVEDCVGEEYSSVAKYAGQLADAFYAYAVAVNRLLTANPQAEIRNGTMILRNIGMTFEGVGGGDLTVDPDSARTSEIIMIGLNSSRLPETYGKLIINNQSVHFEQLYSDEVMDVWNGRQRPKAKPTCGFTGTQCPPDFVRDYLVIVIIIVMFLIFAVSAAVGAVFYAIRQKRKEIERQDELWHVEASHLKPISKKSKSEASQRSFASGPSTSTKLTVESRTETTRFIFYIYQVRNNEVVAANKHDFRPQLTDVERSELRQMRSLDHDNLNKFIGLCLNSQQLLSIWRYCSRGSLADVISRSSMQMDSFFMLSLIRDIANGLGFIHTSMLHFHGYLSSRSCLIDDRWQVKISDFGLNEVRGMDKLSTENMLWWAPEVLRGLEQRSKEADIYSFGIICSEVITRSSAFDLENRKEKPEEIIYQLKKGGFNAIRPSLLTDEALEINPALVHLIRDCWTEKPSERPPIDQVRSLLRGMNDGKKGNLMDHVFNMLETYASTLEEEVNERTKELVEEQKKSDVLLYRMLPKTVAEKLKAGISIEPETFELVTIFFSDVVQFTTLASKCTPLQVVQLLNDLYTIFDSIIEQNDVYKVETIGDGYLCVSGLPHRNGHDHIKHIARMSLAFLSSLAEFRVAHMPSERINLRIGINCGSVVAGVVGLTMPRYCLFGDAVNTASRMESNGKPGRIHVSSEANHLLTHVVGGFRTEERGEVIIKGKGVMNTYWLLGENDSVPVKSNMRKRENTPSMARSITPEI
					

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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	40.1	Very low	42	Very low	231 Å²	231	175.4 Å²	175.4	100%	1.138	85%	0.853	S	S	*	*				0	110.7	0	-85.6	-175.8	153.4	0	0	108.3
2	L	38.2	Very low	42.2	Very low	143 Å²	143	176.2 Å²	176.2	75%	0.749	85%	0.849	S	S	*	*			cis	-136.3	107.2	-9	-121.9	100.8	0	0	0	107.1	L4	L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.42Å
3	F	41.4	Very low	42.2	Very low	211 Å²	211	175.9 Å²	175.9	93%	0.925	85%	0.854	S	S	*	*			trans	-62.8	86.6	162.4	-95.8	-104.1	0	0	0	108.2
4	L	46	Very low	42	Very low	141 Å²	141	173.5 Å²	173.5	74%	0.738	85%	0.845	S	S	*	*			trans	-173.6	83.3	171.1	-142.4	78.9	0	0	0	111	L2	L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.42Å
5	R	41.7	Very low	41.8	Very low	255 Å²	255	171.3 Å²	171.3	96%	0.962	84%	0.837	S	S	*	*			trans	-179.1	38.5	162.5	-103.8	165.5	-163.8	-147.7	5.3	115
6	L	45.7	Very low	41.4	Very low	168 Å²	168	165.9 Å²	165.9	88%	0.88	83%	0.829	S	S	*	*			trans	-114.9	23.1	-176	-115.6	159.5	0	0	0	114.9
7	F	45.5	Very low	41	Very low	193 Å²	193	164.3 Å²	164.3	85%	0.846	82%	0.824	S	S	*	*	S	Bend	trans	-133.7	142.8	168.4	-86.2	-94.2	0	0	0	107.6
8	I	46.2	Very low	41.1	Very low	158 Å²	158	162.7 Å²	162.7	81%	0.81	83%	0.829	S	S	*	*	S	Bend	trans	98.5	118.8	-174.1	-48.6	154.7	0	0	0	111.4
9	F	44.1	Very low	41.7	Very low	193 Å²	193	162.6 Å²	162.6	85%	0.846	83%	0.825	S	S	*	*	S	Bend	trans	93.6	55.7	-176.9	-65.6	-80.7	0	0	0	118.6
10	T	36.8	Very low	42.9	Very low	136 Å²	136	159.3 Å²	159.3	83%	0.834	82%	0.824	S	S	*	*			trans	-169.8	105.6	140.9	37.7	0	0	0	0	108.2
11	P	36.6	Very low	44.6	Very low	100 Å²	100	158 Å²	158	65%	0.649	81%	0.808	S	S	*	*				-139.4	72.3	110.9	37	-22.2	0	0	0	109.7	L13	P11-L13 VanDerWaalsContact C-N 3.29Å
12	F	44.2	Very low	46.9	Very low	185 Å²	185	155.3 Å²	155.3	81%	0.811	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	20.6	173.5	-119.6	-87.1	0	0	0	113	L15	F12-L15 HydrophobicContact CE1-CD1 4.33Å; F12-L15 HydrophobicContact CZ-CD1 4.46Å
13	L	42.1	Very low	49.5	Very low	173 Å²	173	152.2 Å²	152.2	91%	0.906	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	14.7	174.2	-104.8	118.6	0	0	0	113.6	P11	P11-L13 VanDerWaalsContact C-N 3.29Å
14	I	39.4	Very low	52.1	Low	142 Å²	142	142.2 Å²	142.2	73%	0.728	73%	0.729	S	S	*	*			trans	-131.6	58.8	166.9	-47.2	177.1	0	0	0	107.9
15	L	38.5	Very low	54.5	Low	140 Å²	140	138.7 Å²	138.7	73%	0.733	71%	0.707	S	S	*	*			trans	-110.1	66.1	155.1	-85.8	161.2	0	0	0	105.7	F12	F12-L15 HydrophobicContact CE1-CD1 4.33Å; F12-L15 HydrophobicContact CZ-CD1 4.46Å
16	A	36.8	Very low	57.2	Low	85 Å²	85	126.5 Å²	126.5	70%	0.702	66%	0.661	S	S	*	*			trans	-73.3	120.1	172.6	0	0	0	0	0	108.4	C18	A16-C18 PolarHBondContact O-N 3.26Å
17	N	34.1	Very low	59.6	Low	139 Å²	139	118.5 Å²	118.5	74%	0.743	62%	0.62	S	S	*	*			trans	35.7	71.3	159.9	-77.1	-5	0	0	0	117.2	Q19	N17-Q19 PolarHBondContact O-N 3.2Å; N17-Q19 VanDerWaalsContact O-N 3.17Å
18	C	43.4	Very low	62.1	Low	136 Å²	136	109.3 Å²	109.3	92%	0.919	58%	0.579	S	S	*	*			trans	-84.2	68.1	153.1	-151.2	0	0	0	0	108.2	A16 A20	A16-C18 PolarHBondContact O-N 3.26Å; C18-A20 PolarHBondContact O-N 2.73Å
19	Q	51.7	Low	64.5	Low	160 Å²	160	101.8 Å²	101.8	75%	0.748	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-65.7	122.4	167.3	-85.7	179.3	-42	0	0	107.5	N17 R21	N17-Q19 PolarHBondContact O-N 3.2Å; N17-Q19 VanDerWaalsContact O-N 3.17Å; Q19-R21 PolarHBondContact O-N 2.6Å
20	A	65.2	Low	66.9	Low	97 Å²	97	92.6 Å²	92.6	80%	0.802	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-55.7	121.8	174.3	0	0	0	0	0	109.2	C18	C18-A20 PolarHBondContact O-N 2.73Å
21	R	79.9	Confident	69.6	Low	132 Å²	132	86.2 Å²	86.2	50%	0.498	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-63.2	138.9	177.6	-71.4	-177.9	170.8	164.6	-0.6	109.6	Q19 D64 G65	Q19-R21 PolarHBondContact O-N 2.6Å; R21-D64 PolarHBondContact NE-O 2.82Å; R21-D64 PolarHBondContact NH2-O 2.8Å; R21-G65 CarbonylContact C-O 3.48Å; R21-G65 WeakPolarHBondContact CA-O 3.3Å; R21-G65 WeakPolarHBondContact CB-O 3.38Å
22	R	88.1	Confident	72.2	Confident	174 Å²	174	83.7 Å²	83.7	66%	0.657	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.1	175	-68.8	-178.6	179.2	-176.4	0.4	109.7	G65 F66 D67	R22-G65 PolarHBondContact N-O 2.95Å; R22-F66 HydrophobicContact CB-CD1 3.63Å; R22-F66 HydrophobicContact CB-CE1 3.65Å; R22-F66 HydrophobicContact CB-CG 4.45Å; R22-F66 HydrophobicContact CB-CZ 4.47Å; R22-F66 HydrophobicContact CG-CE1 4.44Å; R22-F66 CarbonylContact O-C 3.48Å; R22-F66 WeakPolarHBondContact O-CA 3.44Å; R22-F66 WeakPolarHBondContact O-CB 3.27Å; R22-D67 PolarHBondContact O-N 2.87Å
23	T	92.8	Very high	74.3	Confident	79 Å²	79	80.2 Å²	80.2	49%	0.485	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.6	-179.4	-51.3	0	0	0	0	110.9	D67 E69	T23-D67 CarbonylContact C-O 3.55Å; T23-D67 WeakPolarHBondContact CA-O 3.48Å; T23-E69 HydrophobicContact CG2-CB 3.56Å
24	I	95.1	Very high	76.3	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.1	169.1	-56.9	-178.6	0	0	0	108.1	V26 L63 F66 D67 F68 E69 D96 Y363 I379	I24-V26 HydrophobicContact CG2-CG2 4.37Å; I24-L63 HydrophobicContact CD1-CD1 4.25Å; I24-F66 HydrophobicContact CD1-CB 4.26Å; I24-F66 HydrophobicContact CD1-CD1 3.87Å; I24-F66 HydrophobicContact CD1-CG 4.22Å; I24-F66 HydrophobicContact CG1-CB 4.42Å; I24-F66 HydrophobicContact CG1-CD1 3.74Å; I24-F66 HydrophobicContact CG1-CE1 4.49Å; I24-F66 HydrophobicContact CG1-CG 4.43Å; I24-D67 PolarHBondContact N-O 3.3Å; I24-F68 HydrophobicContact CB-CD1 4Å; I24-F68 HydrophobicContact CB-CE1 4.32Å; I24-F68 HydrophobicContact CD1-CE1 3.97Å; I24-F68 HydrophobicContact CG2-CD1 4.41Å; I24-F68 WeakPolarHBondContact O-CA 3.41Å; I24-E69 PolarHBondContact O-N 3.44Å; I24-D96 HydrophobicContact CG2-CB 4.04Å; I24-Y363 HydrophobicContact CG2-CE1 4.36Å; I24-Y363 WeakPolarHBondContact CG2-OH 3.26Å; I24-I379 HydrophobicContact CD1-CD1 4.46Å; I24-I379 HydrophobicContact CG1-CD1 3.98Å
25	K	96.8	Very high	78.3	Confident	67 Å²	67	71.7 Å²	71.7	29%	0.291	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115	178.1	-69.4	-173.7	173.6	-163.7	0	110.6	E69 L71 K93 V95 D96	K25-E69 WeakPolarHBondContact CA-O 3.36Å; K25-E69 VanDerWaalsContact CE-OE2 3.28Å; K25-E69 WeakPolarHBondContact CE-OE2 3.37Å; K25-L71 HydrophobicContact CD-CD1 4.45Å; K25-K93 PolarHBondContact NZ-O 2.81Å; K25-V95 HydrophobicContact CB-CB 4.48Å; K25-D96 PolarHBondContact N-OD2 2.79Å; K25-D96 PolarHBondContact O-N 3.41Å
26	V	97.5	Very high	80.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.5	-177.1	-179.4	0	0	0	0	109.4	I24 L28 F68 E69 F70 L71 V97 F99 F360	I24-V26 HydrophobicContact CG2-CG2 4.37Å; V26-L28 HydrophobicContact CG1-CD2 3.85Å; V26-L28 HydrophobicContact CG1-CG 4.39Å; V26-F68 HydrophobicContact CG2-CD1 4.02Å; V26-E69 PolarHBondContact N-O 3.45Å; V26-F70 HydrophobicContact CB-CD1 3.72Å; V26-F70 HydrophobicContact CB-CE1 4.13Å; V26-F70 HydrophobicContact CG1-CD1 3.88Å; V26-F70 HydrophobicContact CG1-CE1 4.18Å; V26-F70 HydrophobicContact CG2-CD1 4.24Å; V26-F70 HydrophobicContact CG2-CE1 4.17Å; V26-L71 PolarHBondContact O-N 3.15Å; V26-V97 HydrophobicContact CB-CG1 4.28Å; V26-V97 HydrophobicContact CG1-CG1 4.18Å; V26-V97 HydrophobicContact CG2-CG1 3.96Å; V26-F99 HydrophobicContact CG1-CD2 3.6Å; V26-F99 HydrophobicContact CG1-CE2 3.74Å; V26-F360 HydrophobicContact CG2-CE2 4.07Å
27	G	97.4	Very high	82.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.5	172.4	0	0	0	0	0	111.5	L71 V97 I98 F99	G27-L71 CarbonylContact C-O 3.51Å; G27-L71 VanDerWaalsContact CA-O 3.28Å; G27-L71 WeakPolarHBondContact CA-O 3.47Å; G27-V97 PolarHBondContact N-O 3Å; G27-I98 CarbonylContact O-C 3.53Å; G27-I98 WeakPolarHBondContact O-CA 3.16Å; G27-F99 PolarHBondContact O-N 3.49Å
28	L	97.4	Very high	84.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.1	177.6	-51.6	170.2	0	0	0	110.3	V26 F30 V50 F70 L71 W72 D73 F99 F335	V26-L28 HydrophobicContact CG1-CD2 3.85Å; V26-L28 HydrophobicContact CG1-CG 4.39Å; L28-F30 HydrophobicContact CB-CD2 4.01Å; L28-F30 HydrophobicContact CB-CE2 3.35Å; L28-F30 HydrophobicContact CB-CZ 3.93Å; L28-F30 HydrophobicContact CD1-CE2 3.77Å; L28-F30 HydrophobicContact CD1-CZ 4.02Å; L28-F30 HydrophobicContact CG-CE2 4.13Å; L28-F30 HydrophobicContact CG-CZ 4.41Å; L28-V50 HydrophobicContact CD1-CG1 4.49Å; L28-V50 HydrophobicContact CD1-CG2 4.27Å; L28-V50 HydrophobicContact CD2-CG1 4.12Å; L28-F70 HydrophobicContact CD1-CB 4.18Å; L28-F70 HydrophobicContact CD1-CD1 4.27Å; L28-L71 PolarHBondContact N-O 3.34Å; L28-W72 HydrophobicContact CB-CB 3.9Å; L28-W72 CarbonylContact O-C 3.58Å; L28-W72 WeakPolarHBondContact O-CA 3.39Å; L28-W72 WeakPolarHBondContact O-CB 2.93Å; L28-D73 PolarHBondContact O-N 3.47Å; L28-F99 WeakPolarHBondContact CA-O 3.16Å; L28-F99 HydrophobicContact CD2-CB 3.86Å; L28-F99 HydrophobicContact CD2-CD2 4.14Å; L28-F99 HydrophobicContact CD2-CG 4.35Å; L28-F335 HydrophobicContact CD1-CE1 4.37Å; L28-F335 HydrophobicContact CD1-CZ 4.13Å
29	L	96.7	Very high	86.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.7	175.1	-67.7	171.1	0	0	0	109.6	D73 K85 T86 L89 I98 F99 P101	L29-D73 HydrophobicContact CD2-CB 3.87Å; L29-K85 HydrophobicContact CD2-CB 3.9Å; L29-T86 VanDerWaalsContact CD1-OG1 3.31Å; L29-T86 WeakPolarHBondContact CD1-OG1 3.31Å; L29-L89 HydrophobicContact CD1-CD1 4.07Å; L29-L89 HydrophobicContact CD2-CD1 3.65Å; L29-L89 HydrophobicContact CG-CD1 3.68Å; L29-I98 HydrophobicContact CD1-CG2 4.07Å; L29-I98 HydrophobicContact CG-CG2 4.46Å; L29-F99 PolarHBondContact N-O 3Å; L29-P101 HydrophobicContact CB-CG 4.43Å; L29-P101 HydrophobicContact CD1-CG 3.72Å
30	F	95	Very high	88.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	170.4	-174.9	-65	-75.9	0	0	0	113.2	L28 Y43 A47 W72 D73 F74 D75 W124 L356	L28-F30 HydrophobicContact CB-CD2 4.01Å; L28-F30 HydrophobicContact CB-CE2 3.35Å; L28-F30 HydrophobicContact CB-CZ 3.93Å; L28-F30 HydrophobicContact CD1-CE2 3.77Å; L28-F30 HydrophobicContact CD1-CZ 4.02Å; L28-F30 HydrophobicContact CG-CE2 4.13Å; L28-F30 HydrophobicContact CG-CZ 4.41Å; F30-Y43 HydrophobicContact CB-CD2 4.26Å; F30-Y43 AromaticContact CD2-CD2 3.71Å; F30-Y43 HydrophobicContact CD2-CD2 3.71Å; F30-Y43 HydrophobicContact CD2-CE2 4.37Å; F30-Y43 HydrophobicContact CE2-CD2 4.13Å; F30-Y43 AromaticContact CG-CD2 4Å; F30-Y43 HydrophobicContact CG-CD2 4Å; F30-A47 HydrophobicContact CE1-CB 4.22Å; F30-A47 HydrophobicContact CE2-CB 3.95Å; F30-A47 HydrophobicContact CZ-CB 3.72Å; F30-W72 HydrophobicContact CD2-CB 4.17Å; F30-W72 HydrophobicContact CE2-CB 4.22Å; F30-D73 PolarHBondContact N-O 3.29Å; F30-D73 VanDerWaalsContact N-O 3.12Å; F30-F74 HydrophobicContact CB-CD1 4.06Å; F30-F74 HydrophobicContact CB-CE1 4.26Å; F30-F74 CarbonylContact O-C 3.6Å; F30-F74 VanDerWaalsContact O-CA 3.22Å; F30-F74 WeakPolarHBondContact O-CA 3.48Å; F30-D75 PolarHBondContact O-N 3.15Å; F30-D75 VanDerWaalsContact O-N 3.12Å; F30-W124 HydrophobicContact CD1-CH2 4.04Å; F30-W124 AromaticContact CD1-CZ2 3.6Å; F30-W124 HydrophobicContact CD1-CZ2 3.6Å; F30-W124 AromaticContact CE1-CH2 3.89Å; F30-W124 HydrophobicContact CE1-CH2 3.89Å; F30-W124 AromaticContact CE1-CZ2 3.4Å; F30-W124 HydrophobicContact CE1-CZ2 3.4Å; F30-L356 HydrophobicContact CE1-CD2 3.81Å; F30-L356 HydrophobicContact CZ-CD2 3.98Å
31	V	93.1	Very high	89.5	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-105.9	133	168.1	177.6	0	0	0	0	109.9	V34 L37 I41 Y43 C77 T102	V31-V34 HydrophobicContact CG1-CB 3.56Å; V31-V34 HydrophobicContact CG1-CG2 3.66Å; V31-L37 HydrophobicContact CG1-CB 4.4Å; V31-L37 HydrophobicContact CG1-CD1 4.47Å; V31-I41 HydrophobicContact CG2-CD1 4.02Å; V31-Y43 WeakPolarHBondContact O-CB 3.03Å; V31-Y43 PolarHBondContact O-N 3.32Å; V31-C77 HydrophobicContact CG2-CB 4.48Å; V31-C77 WeakPolarHBondContact CG2-SG 3.38Å; V31-T102 WeakPolarHBondContact CG2-OG1 3.49Å
32	Q	91.4	Very high	90	Very high	46 Å²	46	38.5 Å²	38.5	22%	0.215	21%	0.209	C	C	.	.	S	Bend	trans	-116.8	-40.8	-179.9	-172	-174.4	33.1	0	0	112.7	R44 F74 E76	Q32-R44 PolarHBondContact O-NH1 3.14Å; Q32-F74 HydrophobicContact CB-CD1 3.71Å; Q32-F74 HydrophobicContact CB-CE1 3.92Å; Q32-F74 HydrophobicContact CB-CG 4.08Å; Q32-F74 HydrophobicContact CB-CZ 4.45Å; Q32-F74 HydrophobicContact CG-CE1 4.42Å; Q32-E76 PolarHBondContact N-OE2 3.36Å
33	N	87.3	Confident	90.3	Very high	112 Å²	112	31 Å²	31	60%	0.599	18%	0.181	S	C	*	.	S	Bend	trans	-115.2	12.2	-165.4	-60.6	-58.2	0	0	0	113.9	E76	N33-E76 PolarHBondContact N-OE1 3.43Å; N33-E76 PolarHBondContact N-OE2 3.29Å; N33-E76 PolarHBondContact ND2-OE1 2.69Å
34	V	85.6	Confident	90.3	Very high	41 Å²	41	28.9 Å²	28.9	25%	0.248	16%	0.164	C	C	.	.			trans	-101	96.4	175.5	-169.1	0	0	0	0	110.2	V31 S36 L37 Q38 E76	V31-V34 HydrophobicContact CG1-CB 3.56Å; V31-V34 HydrophobicContact CG1-CG2 3.66Å; V34-S36 VanDerWaalsContact C-N 3.3Å; V34-S36 PolarHBondContact O-N 2.86Å; V34-L37 HydrophobicContact CB-CB 4.4Å; V34-L37 HydrophobicContact CB-CD1 4.1Å; V34-L37 HydrophobicContact CB-CG 4.27Å; V34-L37 HydrophobicContact CG1-CB 4.32Å; V34-L37 HydrophobicContact CG1-CD1 3.71Å; V34-L37 HydrophobicContact CG1-CG 3.73Å; V34-L37 PolarHBondContact O-N 3.28Å; V34-Q38 PolarHBondContact O-N 3.49Å; V34-E76 HydrophobicContact CG2-CB 4.35Å
35	S	80.4	Confident	90.2	Very high	95 Å²	95	29.1 Å²	29.1	66%	0.664	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-58.7	-35.3	-173	56.5	0	0	0	0	114.2	L37 Q38	S35-L37 PolarHBondContact O-N 3.23Å; S35-Q38 WeakPolarHBondContact O-CB 3.45Å; S35-Q38 PolarHBondContact O-N 3.45Å
36	S	77.8	Confident	90.1	Very high	90 Å²	90	25.9 Å²	25.9	63%	0.629	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-64.6	-21.3	177.9	54.8	0	0	0	0	113.5	V34	V34-S36 VanDerWaalsContact C-N 3.3Å; V34-S36 PolarHBondContact O-N 2.86Å
37	L	84.6	Confident	90	Very high	21 Å²	21	25.9 Å²	25.9	11%	0.11	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-103.7	-8.3	-174.9	-56.6	-178.1	0	0	0	112.9	V31 V34 S35 V39 G40 I41 C77 L126	V31-L37 HydrophobicContact CG1-CB 4.4Å; V31-L37 HydrophobicContact CG1-CD1 4.47Å; V34-L37 HydrophobicContact CB-CB 4.4Å; V34-L37 HydrophobicContact CB-CD1 4.1Å; V34-L37 HydrophobicContact CB-CG 4.27Å; V34-L37 HydrophobicContact CG1-CB 4.32Å; V34-L37 HydrophobicContact CG1-CD1 3.71Å; V34-L37 HydrophobicContact CG1-CG 3.73Å; V34-L37 PolarHBondContact O-N 3.28Å; S35-L37 PolarHBondContact O-N 3.23Å; L37-V39 VanDerWaalsContact C-N 3.32Å; L37-V39 PolarHBondContact O-N 3.36Å; L37-G40 PolarHBondContact O-N 2.84Å; L37-I41 HydrophobicContact CB-CD1 4.07Å; L37-I41 HydrophobicContact CB-CG1 3.89Å; L37-I41 HydrophobicContact CD1-CD1 4.15Å; L37-I41 WeakPolarHBondContact O-CG1 3.44Å; L37-I41 PolarHBondContact O-N 3.36Å; L37-C77 HydrophobicContact CD1-CB 4.13Å; L37-C77 VanDerWaalsContact CD1-SG 3.53Å; L37-L126 HydrophobicContact CD2-CD1 3.7Å
38	Q	82.9	Confident	89.9	Confident	35 Å²	35	25.9 Å²	25.9	16%	0.164	15%	0.151	C	C	.	.	H	α-helix	trans	-57	-40.9	-174.3	-177.7	176.7	-21.5	0	0	113.3	V34 S35 G40 G42	V34-Q38 PolarHBondContact O-N 3.49Å; S35-Q38 WeakPolarHBondContact O-CB 3.45Å; S35-Q38 PolarHBondContact O-N 3.45Å; Q38-G40 VanDerWaalsContact C-N 3.29Å; Q38-G40 PolarHBondContact O-N 2.94Å; Q38-G42 PolarHBondContact O-N 2.97Å
39	V	84	Confident	89.8	Confident	39 Å²	39	25.9 Å²	25.9	24%	0.236	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-33.3	179.1	-175.1	0	0	0	0	111.2	L37 E270 V272 A350 K351	L37-V39 VanDerWaalsContact C-N 3.32Å; L37-V39 PolarHBondContact O-N 3.36Å; V39-E270 HydrophobicContact CG1-CB 4.16Å; V39-V272 HydrophobicContact CG2-CG2 3.73Å; V39-A350 WeakPolarHBondContact O-CA 3.32Å; V39-K351 HydrophobicContact CG1-CG 4.4Å; V39-K351 WeakPolarHBondContact O-CG 3.45Å; V39-K351 PolarHBondContact O-N 3.36Å
40	G	85.4	Confident	89.9	Confident	3 Å²	3	25.9 Å²	25.9	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-85.2	-51.8	-176.2	0	0	0	0	0	113.8	L37 Q38 A350 K351 Y352	L37-G40 PolarHBondContact O-N 2.84Å; Q38-G40 VanDerWaalsContact C-N 3.29Å; Q38-G40 PolarHBondContact O-N 2.94Å; G40-A350 WeakPolarHBondContact O-CB 3.46Å; G40-K351 PolarHBondContact O-N 2.8Å; G40-Y352 WeakPolarHBondContact O-CD2 3.33Å; G40-Y352 PolarHBondContact O-N 2.64Å; G40-Y352 VanDerWaalsContact O-N 3.13Å
41	I	89.9	Confident	89.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-143	17.7	-161.2	53.1	167.8	0	0	0	113.6	V31 L37 T102 W124 L126 Y352	V31-I41 HydrophobicContact CG2-CD1 4.02Å; L37-I41 HydrophobicContact CB-CD1 4.07Å; L37-I41 HydrophobicContact CB-CG1 3.89Å; L37-I41 HydrophobicContact CD1-CD1 4.15Å; L37-I41 WeakPolarHBondContact O-CG1 3.44Å; L37-I41 PolarHBondContact O-N 3.36Å; I41-T102 HydrophobicContact CB-CG2 4.26Å; I41-T102 WeakPolarHBondContact CD1-OG1 3.34Å; I41-T102 HydrophobicContact CG2-CG2 4.44Å; I41-W124 HydrophobicContact CG2-CZ3 4.33Å; I41-L126 HydrophobicContact CD1-CD1 3.91Å; I41-L126 HydrophobicContact CD1-CG 4.28Å; I41-L126 HydrophobicContact CG1-CD1 4.31Å; I41-L126 HydrophobicContact CG2-CG 4.27Å; I41-Y352 HydrophobicContact CG2-CD2 3.85Å; I41-Y352 HydrophobicContact CG2-CG 4.39Å
42	G	91.1	Very high	90.1	Very high	5 Å²	5	27.5 Å²	27.5	5%	0.052	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-64.4	136.7	-176.7	0	0	0	0	0	113.2	Q38 R44 T45 S46	Q38-G42 PolarHBondContact O-N 2.97Å; G42-R44 VanDerWaalsContact C-N 3.31Å; G42-R44 PolarHBondContact O-N 3.07Å; G42-T45 PolarHBondContact O-N 3.22Å; G42-T45 PolarHBondContact O-OG1 3.49Å; G42-S46 WeakPolarHBondContact O-CB 3.44Å; G42-S46 PolarHBondContact O-N 3.42Å; G42-S46 PolarHBondContact O-OG 3.29Å
43	Y	94.5	Very high	90.2	Very high	15 Å²	15	25.6 Å²	25.6	6%	0.059	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-48.5	-51.2	176.1	164.7	-108.5	0	0	0	112.5	F30 V31 T45 S46 A47 W72 F74 M330 F335	F30-Y43 HydrophobicContact CB-CD2 4.26Å; F30-Y43 AromaticContact CD2-CD2 3.71Å; F30-Y43 HydrophobicContact CD2-CD2 3.71Å; F30-Y43 HydrophobicContact CD2-CE2 4.37Å; F30-Y43 HydrophobicContact CE2-CD2 4.13Å; F30-Y43 AromaticContact CG-CD2 4Å; F30-Y43 HydrophobicContact CG-CD2 4Å; V31-Y43 WeakPolarHBondContact O-CB 3.03Å; V31-Y43 PolarHBondContact O-N 3.32Å; Y43-T45 PolarHBondContact O-N 3.2Å; Y43-S46 PolarHBondContact O-N 3.44Å; Y43-A47 HydrophobicContact CD2-CB 3.62Å; Y43-A47 HydrophobicContact CE2-CB 3.59Å; Y43-A47 WeakPolarHBondContact O-CB 3.16Å; Y43-A47 PolarHBondContact O-N 2.95Å; Y43-W72 AromaticContact CE2-CD1 3.92Å; Y43-W72 HydrophobicContact CE2-CG 4.44Å; Y43-W72 AromaticContact CE2-NE1 3.88Å; Y43-W72 AromaticContact CZ-NE1 3.95Å; Y43-F74 HydrophobicContact CD1-CE1 4.01Å; Y43-F74 HydrophobicContact CD1-CZ 4.2Å; Y43-F74 AromaticContact CD2-CE1 3.73Å; Y43-F74 HydrophobicContact CD2-CE1 3.73Å; Y43-F74 HydrophobicContact CD2-CZ 4.27Å; Y43-F74 HydrophobicContact CE1-CZ 4.32Å; Y43-F74 HydrophobicContact CE2-CE1 4.25Å; Y43-F74 HydrophobicContact CE2-CZ 4.37Å; Y43-F74 AromaticContact CG-CE1 3.6Å; Y43-F74 HydrophobicContact CG-CE1 3.6Å; Y43-F74 HydrophobicContact CG-CZ 4.19Å; Y43-M330 HydrophobicContact CE1-CE 4.37Å; Y43-F335 AromaticContact CE2-CD1 3.94Å; Y43-F335 HydrophobicContact CE2-CD1 3.94Å; Y43-F335 HydrophobicContact CE2-CE1 4.23Å; Y43-F335 WeakPolarHBondContact OH-CD1 3.41Å
44	R	93	Very high	90.6	Very high	36 Å²	36	21.7 Å²	21.7	14%	0.136	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-62.5	-16.4	-173.5	-65.5	179	-177.7	93	1.3	114	Q32 G42 D340 Y346	Q32-R44 PolarHBondContact O-NH1 3.14Å; G42-R44 VanDerWaalsContact C-N 3.31Å; G42-R44 PolarHBondContact O-N 3.07Å; R44-D340 WeakPolarHBondContact CD-O 3.41Å; R44-D340 PolarHBondContact NE-O 3.33Å; R44-Y346 HydrophobicContact CB-CD1 3.62Å; R44-Y346 HydrophobicContact CB-CE1 3.87Å; R44-Y346 HydrophobicContact CB-CG 4.21Å; R44-Y346 HydrophobicContact CG-CD1 4.37Å; R44-Y346 HydrophobicContact CG-CE1 4.16Å
45	T	92.3	Very high	91	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.025	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-123.4	6	-175.2	49.2	0	0	0	0	113	G42 Y43 I327 Y346 S348 V349 A350	G42-T45 PolarHBondContact O-N 3.22Å; G42-T45 PolarHBondContact O-OG1 3.49Å; Y43-T45 PolarHBondContact O-N 3.2Å; T45-I327 HydrophobicContact CG2-CD1 4.43Å; T45-Y346 HydrophobicContact CG2-CD1 4.1Å; T45-S348 WeakPolarHBondContact CB-O 3.24Å; T45-S348 VanDerWaalsContact CG2-O 3.23Å; T45-S348 WeakPolarHBondContact CG2-O 3.28Å; T45-V349 WeakPolarHBondContact O-CG2 3.34Å; T45-A350 PolarHBondContact O-N 2.98Å; T45-A350 WeakPolarHBondContact OG1-CB 3.34Å
46	S	94	Very high	91.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-29.5	-177.4	59.9	0	0	0	0	114.4	G42 Y43 A48 A49	G42-S46 WeakPolarHBondContact O-CB 3.44Å; G42-S46 PolarHBondContact O-N 3.42Å; G42-S46 PolarHBondContact O-OG 3.29Å; Y43-S46 PolarHBondContact O-N 3.44Å; S46-A48 VanDerWaalsContact C-N 3.34Å; S46-A48 PolarHBondContact O-N 3.07Å; S46-A49 WeakPolarHBondContact O-CB 3.35Å; S46-A49 PolarHBondContact O-N 3.13Å
47	A	95.4	Very high	92.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-40.7	-167.1	0	0	0	0	0	113.5	F30 Y43 A49 V50 M330 F335	F30-A47 HydrophobicContact CE1-CB 4.22Å; F30-A47 HydrophobicContact CE2-CB 3.95Å; F30-A47 HydrophobicContact CZ-CB 3.72Å; Y43-A47 HydrophobicContact CD2-CB 3.62Å; Y43-A47 HydrophobicContact CE2-CB 3.59Å; Y43-A47 WeakPolarHBondContact O-CB 3.16Å; Y43-A47 PolarHBondContact O-N 2.95Å; A47-A49 PolarHBondContact O-N 3.43Å; A47-A49 VanDerWaalsContact O-N 3.08Å; A47-V50 WeakPolarHBondContact O-CG2 3.32Å; A47-V50 PolarHBondContact O-N 2.94Å; A47-M330 HydrophobicContact CB-CE 4.25Å; A47-M330 HydrophobicContact CB-SD 3.96Å; A47-F335 HydrophobicContact CB-CD1 4.04Å; A47-F335 HydrophobicContact CB-CD2 4.4Å; A47-F335 HydrophobicContact CB-CE1 3.7Å; A47-F335 HydrophobicContact CB-CE2 4.07Å; A47-F335 HydrophobicContact CB-CG 4.38Å; A47-F335 HydrophobicContact CB-CZ 3.72Å; A47-F335 WeakPolarHBondContact O-CE2 3.46Å; A47-F335 WeakPolarHBondContact O-CZ 3.29Å
48	A	96.4	Very high	92.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.1	178.6	0	0	0	0	0	114.9	S46 V50 L51 V52 V326 M329 M330 F335	S46-A48 VanDerWaalsContact C-N 3.34Å; S46-A48 PolarHBondContact O-N 3.07Å; A48-V50 PolarHBondContact O-N 3.37Å; A48-L51 HydrophobicContact CB-CD1 4.42Å; A48-L51 WeakPolarHBondContact O-CB 3.48Å; A48-L51 PolarHBondContact O-N 3.45Å; A48-V52 PolarHBondContact O-N 2.76Å; A48-V52 VanDerWaalsContact O-N 3.12Å; A48-V326 HydrophobicContact CB-CG1 4.18Å; A48-V326 WeakPolarHBondContact CB-O 3.38Å; A48-M329 HydrophobicContact CB-CB 4.08Å; A48-M330 HydrophobicContact CB-CG 3.89Å; A48-M330 HydrophobicContact CB-SD 3.55Å; A48-M330 VanDerWaalsContact CB-SD 3.55Å; A48-M330 PolarHBondContact N-SD 2.99Å; A48-M330 VanDerWaalsContact N-SD 3.4Å; A48-F335 HydrophobicContact CB-CD2 4.42Å
49	A	96	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-54.6	-34.4	170.7	0	0	0	0	0	112.5	S46 A47 L51 T53 F322 V326 A353 L356 A357	S46-A49 WeakPolarHBondContact O-CB 3.35Å; S46-A49 PolarHBondContact O-N 3.13Å; A47-A49 PolarHBondContact O-N 3.43Å; A47-A49 VanDerWaalsContact O-N 3.08Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 3.1Å; A49-T53 WeakPolarHBondContact O-CB 3.37Å; A49-T53 PolarHBondContact O-N 2.78Å; A49-T53 PolarHBondContact O-OG1 2.77Å; A49-F322 HydrophobicContact CB-CE2 4.21Å; A49-F322 HydrophobicContact CB-CZ 3.85Å; A49-V326 HydrophobicContact CB-CG2 4.17Å; A49-A353 HydrophobicContact CB-CB 4.44Å; A49-A353 WeakPolarHBondContact CB-O 3.35Å; A49-L356 HydrophobicContact CB-CB 4.47Å; A49-L356 HydrophobicContact CB-CD2 4.2Å; A49-L356 HydrophobicContact CB-CG 4.34Å; A49-A357 HydrophobicContact CB-CB 4.3Å
50	V	96.9	Very high	93.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70.4	-27.8	176.2	-53.7	0	0	0	0	112.7	L28 A47 A48 K54 F70 F335 L356 F360	L28-V50 HydrophobicContact CD1-CG1 4.49Å; L28-V50 HydrophobicContact CD1-CG2 4.27Å; L28-V50 HydrophobicContact CD2-CG1 4.12Å; A47-V50 WeakPolarHBondContact O-CG2 3.32Å; A47-V50 PolarHBondContact O-N 2.94Å; A48-V50 PolarHBondContact O-N 3.37Å; V50-K54 VanDerWaalsContact O-CB 3.26Å; V50-K54 WeakPolarHBondContact O-CB 3.3Å; V50-K54 PolarHBondContact O-N 3.45Å; V50-F70 HydrophobicContact CB-CD1 4.23Å; V50-F70 HydrophobicContact CB-CE1 3.7Å; V50-F70 HydrophobicContact CB-CZ 4.04Å; V50-F70 HydrophobicContact CG2-CD1 3.69Å; V50-F70 HydrophobicContact CG2-CD2 4.29Å; V50-F70 HydrophobicContact CG2-CE1 3.56Å; V50-F70 HydrophobicContact CG2-CE2 4.17Å; V50-F70 HydrophobicContact CG2-CG 4.07Å; V50-F70 HydrophobicContact CG2-CZ 3.81Å; V50-F335 HydrophobicContact CG2-CE2 4.19Å; V50-F335 HydrophobicContact CG2-CZ 4.03Å; V50-L356 HydrophobicContact CG1-CD1 3.94Å; V50-L356 HydrophobicContact CG1-CD2 3.97Å; V50-L356 HydrophobicContact CG1-CG 3.86Å; V50-F360 HydrophobicContact CB-CD1 3.96Å; V50-F360 HydrophobicContact CB-CE1 4.22Å; V50-F360 HydrophobicContact CG1-CD1 4.36Å; V50-F360 WeakPolarHBondContact O-CE1 3.05Å
51	L	96.9	Very high	94.2	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-75.1	-43.2	176.5	-59.4	179.9	0	0	0	111.4	A48 A49 T53 K54 N55 F70 M329 D332 F335	A48-L51 HydrophobicContact CB-CD1 4.42Å; A48-L51 WeakPolarHBondContact O-CB 3.48Å; A48-L51 PolarHBondContact O-N 3.45Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 3.1Å; L51-T53 PolarHBondContact O-N 2.75Å; L51-K54 WeakPolarHBondContact O-CB 3.41Å; L51-K54 PolarHBondContact O-N 2.68Å; L51-N55 PolarHBondContact O-N 3.4Å; L51-N55 VanDerWaalsContact O-N 3.11Å; L51-F70 HydrophobicContact CD2-CD2 4.01Å; L51-F70 HydrophobicContact CD2-CE2 3.7Å; L51-M329 HydrophobicContact CB-CE 3.58Å; L51-M329 HydrophobicContact CB-SD 4.39Å; L51-M329 HydrophobicContact CD1-CB 4.44Å; L51-D332 HydrophobicContact CD1-CB 4.46Å; L51-F335 HydrophobicContact CD1-CD2 3.74Å; L51-F335 HydrophobicContact CD1-CE2 3.85Å; L51-F335 HydrophobicContact CD2-CE2 4.44Å; L51-F335 HydrophobicContact CG-CD2 4.29Å; L51-F335 HydrophobicContact CG-CE2 3.87Å
52	V	95.5	Very high	94.3	Very high	22 Å²	22	35.2 Å²	35.2	13%	0.133	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-44.7	173.2	-178.1	0	0	0	0	109.9	A48 N55 K56 F322 N325 V326 M329	A48-V52 PolarHBondContact O-N 2.76Å; A48-V52 VanDerWaalsContact O-N 3.12Å; V52-N55 PolarHBondContact O-N 2.97Å; V52-K56 PolarHBondContact O-N 2.79Å; V52-F322 HydrophobicContact CB-CD2 4.3Å; V52-F322 HydrophobicContact CB-CE2 4.31Å; V52-F322 HydrophobicContact CG1-CD2 3.78Å; V52-F322 HydrophobicContact CG1-CE2 4.26Å; V52-N325 HydrophobicContact CG1-CB 4.4Å; V52-N325 HydrophobicContact CG2-CB 3.77Å; V52-V326 HydrophobicContact CG2-CG2 3.88Å; V52-M329 HydrophobicContact CG2-SD 3.67Å
53	T	95.2	Very high	94.3	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-69	-37	178.7	-53.5	0	0	0	0	112.5	A49 L51 N55 K56 I57 A357 F360 Y361	A49-T53 WeakPolarHBondContact O-CB 3.37Å; A49-T53 PolarHBondContact O-N 2.78Å; A49-T53 PolarHBondContact O-OG1 2.77Å; L51-T53 PolarHBondContact O-N 2.75Å; T53-N55 VanDerWaalsContact C-N 3.26Å; T53-N55 PolarHBondContact O-N 3.02Å; T53-K56 WeakPolarHBondContact O-CB 3.37Å; T53-K56 PolarHBondContact O-N 3.07Å; T53-K56 VanDerWaalsContact O-N 3.12Å; T53-I57 HydrophobicContact CG2-CD1 4.05Å; T53-I57 HydrophobicContact CG2-CG1 4.38Å; T53-I57 WeakPolarHBondContact O-CG1 3.49Å; T53-I57 PolarHBondContact O-N 3Å; T53-A357 WeakPolarHBondContact CG2-O 3.49Å; T53-A357 VanDerWaalsContact OG1-CA 3.29Å; T53-A357 WeakPolarHBondContact OG1-CA 3.33Å; T53-A357 WeakPolarHBondContact OG1-CB 3.31Å; T53-F360 HydrophobicContact CG2-CB 4.31Å; T53-F360 HydrophobicContact CG2-CD1 3.69Å; T53-F360 HydrophobicContact CG2-CE1 4.44Å; T53-F360 HydrophobicContact CG2-CG 4.35Å; T53-Y361 HydrophobicContact CG2-CD2 4.4Å
54	K	95.5	Very high	93.9	Very high	31 Å²	31	38.4 Å²	38.4	14%	0.135	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-39.2	173.6	176.5	175	177.7	171.1	0	111.8	V50 L51 R58 D67 F68 F70 F360	V50-K54 VanDerWaalsContact O-CB 3.26Å; V50-K54 WeakPolarHBondContact O-CB 3.3Å; V50-K54 PolarHBondContact O-N 3.45Å; L51-K54 WeakPolarHBondContact O-CB 3.41Å; L51-K54 PolarHBondContact O-N 2.68Å; K54-R58 VanDerWaalsContact CE-NH2 3.31Å; K54-R58 WeakPolarHBondContact O-CG 3.11Å; K54-R58 PolarHBondContact O-N 3.29Å; K54-D67 WeakPolarHBondContact CE-OD1 3.28Å; K54-D67 IonicContact NZ-OD1 3.17Å; K54-D67 PolarHBondContact NZ-OD1 3.4Å; K54-F68 HydrophobicContact CD-CB 4.46Å; K54-F68 HydrophobicContact CD-CD2 4.29Å; K54-F68 HydrophobicContact CG-CD2 4.13Å; K54-F68 PolarHBondContact NZ-O 3.21Å; K54-F70 HydrophobicContact CB-CZ 4.41Å; K54-F70 HydrophobicContact CD-CE2 3.84Å; K54-F70 HydrophobicContact CD-CZ 4.12Å; K54-F360 HydrophobicContact CB-CE1 4.36Å
55	N	94.4	Very high	93.6	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.353	20%	0.197	S	C	.	.	H	α-helix	trans	-65.5	-45.3	174.2	-69.9	-17.1	0	0	0	111.1	L51 V52 T53 I57 R58 E59	L51-N55 PolarHBondContact O-N 3.4Å; L51-N55 VanDerWaalsContact O-N 3.11Å; V52-N55 PolarHBondContact O-N 2.97Å; T53-N55 VanDerWaalsContact C-N 3.26Å; T53-N55 PolarHBondContact O-N 3.02Å; N55-I57 PolarHBondContact O-N 3.06Å; N55-R58 WeakPolarHBondContact O-CB 3.35Å; N55-R58 PolarHBondContact O-N 3.26Å; N55-R58 VanDerWaalsContact O-N 3.13Å; N55-E59 WeakPolarHBondContact O-CG 3.45Å; N55-E59 PolarHBondContact O-N 3.03Å
56	K	92.9	Very high	93.6	Very high	78 Å²	78	40.2 Å²	40.2	34%	0.339	20%	0.203	S	C	.	.	H	α-helix	trans	-58.3	-44.3	174.9	178.9	170.8	172.4	48.4	0	113	V52 T53 R58 E59 D60 Y361	V52-K56 PolarHBondContact O-N 2.79Å; T53-K56 WeakPolarHBondContact O-CB 3.37Å; T53-K56 PolarHBondContact O-N 3.07Å; T53-K56 VanDerWaalsContact O-N 3.12Å; K56-R58 PolarHBondContact O-N 3Å; K56-E59 PolarHBondContact O-N 3.29Å; K56-E59 VanDerWaalsContact O-N 3.17Å; K56-D60 IonicContact NZ-OD1 2.68Å; K56-D60 IonicContact NZ-OD2 3.97Å; K56-D60 PolarHBondContact NZ-OD2 3.07Å; K56-D60 WeakPolarHBondContact O-CB 3.49Å; K56-D60 PolarHBondContact O-N 3.03Å; K56-Y361 HydrophobicContact CD-CD2 4.26Å; K56-Y361 HydrophobicContact CD-CE2 4.15Å; K56-Y361 HydrophobicContact CG-CD2 4.29Å; K56-Y361 HydrophobicContact CG-CE2 3.98Å
57	I	94.9	Very high	93.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-56.7	-40.4	176.3	-72.5	163.9	0	0	0	111.1	T53 N55 H61 V62 F68 F360 Y361 A364	T53-I57 HydrophobicContact CG2-CD1 4.05Å; T53-I57 HydrophobicContact CG2-CG1 4.38Å; T53-I57 WeakPolarHBondContact O-CG1 3.49Å; T53-I57 PolarHBondContact O-N 3Å; N55-I57 PolarHBondContact O-N 3.06Å; I57-H61 PolarHBondContact O-N 2.89Å; I57-V62 HydrophobicContact CG2-CB 4.08Å; I57-V62 HydrophobicContact CG2-CG1 4.4Å; I57-V62 WeakPolarHBondContact CG2-O 3.33Å; I57-V62 PolarHBondContact O-N 3.24Å; I57-F68 HydrophobicContact CD1-CE2 4.41Å; I57-F68 HydrophobicContact CD1-CZ 4.35Å; I57-F68 HydrophobicContact CG2-CE2 4.13Å; I57-F68 HydrophobicContact CG2-CZ 4.36Å; I57-F360 HydrophobicContact CD1-CD1 4.23Å; I57-F360 HydrophobicContact CD1-CE1 3.87Å; I57-F360 HydrophobicContact CD1-CZ 4.13Å; I57-Y361 HydrophobicContact CG1-CD2 3.98Å; I57-Y361 HydrophobicContact CG1-CE2 4.45Å; I57-A364 HydrophobicContact CD1-CB 3.46Å; I57-A364 VanDerWaalsContact CD1-CB 3.46Å; I57-A364 HydrophobicContact CG1-CB 3.88Å; I57-A364 HydrophobicContact CG2-CB 4.37Å
58	R	93.8	Very high	93.5	Very high	103 Å²	103	43.1 Å²	43.1	39%	0.389	22%	0.218	S	C	.	.	H	α-helix	trans	-71	-39.7	177.1	-71	174.6	173	-172.7	-1.6	112.5	K54 N55 K56 D60 H61 D67	K54-R58 VanDerWaalsContact CE-NH2 3.31Å; K54-R58 WeakPolarHBondContact O-CG 3.11Å; K54-R58 PolarHBondContact O-N 3.29Å; N55-R58 WeakPolarHBondContact O-CB 3.35Å; N55-R58 PolarHBondContact O-N 3.26Å; N55-R58 VanDerWaalsContact O-N 3.13Å; K56-R58 PolarHBondContact O-N 3Å; R58-D60 VanDerWaalsContact C-N 3.33Å; R58-H61 PolarHBondContact O-N 3.26Å; R58-D67 IonicContact NH2-OD1 3.68Å; R58-D67 PolarHBondContact NH2-OD1 3.2Å; R58-D67 IonicContact NH2-OD2 3.79Å; R58-D67 PolarHBondContact NH2-OD2 3.32Å
59	E	93.2	Very high	93.5	Very high	146 Å²	146	46.9 Å²	46.9	68%	0.682	24%	0.235	S	C	*	.	H	α-helix	trans	-65.2	-37.9	176	-72.1	173	-175.9	0	0	111.7	N55 K56 H61	N55-E59 WeakPolarHBondContact O-CG 3.45Å; N55-E59 PolarHBondContact O-N 3.03Å; K56-E59 PolarHBondContact O-N 3.29Å; K56-E59 VanDerWaalsContact O-N 3.17Å; E59-H61 VanDerWaalsContact C-N 3.26Å; E59-H61 PolarHBondContact O-N 3.14Å
60	D	93.5	Very high	93.6	Very high	63 Å²	63	47.4 Å²	47.4	34%	0.337	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.5	179.9	-67.5	-13.8	0	0	0	113.4	K56 R58 V62 Y361	K56-D60 IonicContact NZ-OD1 2.68Å; K56-D60 IonicContact NZ-OD2 3.97Å; K56-D60 PolarHBondContact NZ-OD2 3.07Å; K56-D60 WeakPolarHBondContact O-CB 3.49Å; K56-D60 PolarHBondContact O-N 3.03Å; R58-D60 VanDerWaalsContact C-N 3.33Å; D60-V62 VanDerWaalsContact C-N 3.29Å; D60-V62 HydrophobicContact CB-CG2 4.06Å; D60-V62 PolarHBondContact O-N 3.26Å; D60-Y361 VanDerWaalsContact OD2-CE2 3.26Å; D60-Y361 WeakPolarHBondContact OD2-CE2 3.23Å; D60-Y361 PolarHBondContact OD2-OH 3.13Å
61	H	93.1	Very high	93.6	Very high	133 Å²	133	49.1 Å²	49.1	62%	0.616	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.8	-177.8	-64.5	-67.3	0	0	0	114.4	I57 R58 E59 D64	I57-H61 PolarHBondContact O-N 2.89Å; R58-H61 PolarHBondContact O-N 3.26Å; E59-H61 VanDerWaalsContact C-N 3.26Å; E59-H61 PolarHBondContact O-N 3.14Å; H61-D64 IonicContact ND1-OD1 2.72Å; H61-D64 IonicContact ND1-OD2 2.88Å
62	V	91.6	Very high	93.5	Very high	16 Å²	16	51.6 Å²	51.6	10%	0.097	26%	0.255	C	S	.	.			trans	-97.6	126.7	177.5	178.8	0	0	0	0	108.8	I57 D60 D64 A364 V365 N368	I57-V62 HydrophobicContact CG2-CB 4.08Å; I57-V62 HydrophobicContact CG2-CG1 4.4Å; I57-V62 WeakPolarHBondContact CG2-O 3.33Å; I57-V62 PolarHBondContact O-N 3.24Å; D60-V62 VanDerWaalsContact C-N 3.29Å; D60-V62 HydrophobicContact CB-CG2 4.06Å; D60-V62 PolarHBondContact O-N 3.26Å; V62-D64 PolarHBondContact O-N 3.11Å; V62-A364 HydrophobicContact CG1-CB 4.28Å; V62-V365 HydrophobicContact CG1-CG2 4.38Å; V62-N368 HydrophobicContact CG1-CB 3.72Å
63	L	90.9	Very high	93.5	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.031	25%	0.254	C	S	.	.	S	Bend	trans	58.6	41	-178.5	-61.7	173.7	0	0	0	115.1	I24 G65 F66 F68 A364 V367 N368 L371	I24-L63 HydrophobicContact CD1-CD1 4.25Å; L63-G65 PolarHBondContact O-N 3.1Å; L63-F66 HydrophobicContact CB-CB 4.25Å; L63-F66 HydrophobicContact CB-CD2 4.27Å; L63-F66 HydrophobicContact CD2-CD2 4.04Å; L63-F66 HydrophobicContact CD2-CE2 4.37Å; L63-F66 PolarHBondContact O-N 3.24Å; L63-F68 HydrophobicContact CD1-CE1 4.4Å; L63-F68 HydrophobicContact CD1-CZ 3.96Å; L63-A364 HydrophobicContact CD1-CB 4.08Å; L63-V367 HydrophobicContact CD1-CB 4.27Å; L63-V367 HydrophobicContact CD1-CG1 4.27Å; L63-V367 HydrophobicContact CD2-CB 4.45Å; L63-V367 HydrophobicContact CD2-CG1 3.97Å; L63-N368 HydrophobicContact CD2-CB 3.88Å; L63-N368 HydrophobicContact CG-CB 3.99Å; L63-N368 PolarHBondContact N-OD1 3.09Å; L63-L371 HydrophobicContact CD2-CD1 3.93Å
64	D	87.2	Confident	93.6	Very high	81 Å²	81	53.3 Å²	53.3	43%	0.433	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-27	-178.5	-77	-28.6	0	0	0	115.6	R21 H61 V62 F66	R21-D64 PolarHBondContact NE-O 2.82Å; R21-D64 PolarHBondContact NH2-O 2.8Å; H61-D64 IonicContact ND1-OD1 2.72Å; H61-D64 IonicContact ND1-OD2 2.88Å; V62-D64 PolarHBondContact O-N 3.11Å; D64-F66 VanDerWaalsContact C-N 3.35Å
65	G	86.7	Confident	93.5	Very high	43 Å²	43	51.9 Å²	51.9	44%	0.443	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.5	177.7	0	0	0	0	0	115.2	R21 R22 L63	R21-G65 CarbonylContact C-O 3.48Å; R21-G65 WeakPolarHBondContact CA-O 3.3Å; R21-G65 WeakPolarHBondContact CB-O 3.38Å; R22-G65 PolarHBondContact N-O 2.95Å; L63-G65 PolarHBondContact O-N 3.1Å
66	F	91.7	Very high	93.4	Very high	35 Å²	35	50.6 Å²	50.6	15%	0.154	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157	-175.3	-65.1	-100.8	0	0	0	112.5	R22 I24 L63 D64 L371	R22-F66 HydrophobicContact CB-CD1 3.63Å; R22-F66 HydrophobicContact CB-CE1 3.65Å; R22-F66 HydrophobicContact CB-CG 4.45Å; R22-F66 HydrophobicContact CB-CZ 4.47Å; R22-F66 HydrophobicContact CG-CE1 4.44Å; R22-F66 CarbonylContact O-C 3.48Å; R22-F66 WeakPolarHBondContact O-CA 3.44Å; R22-F66 WeakPolarHBondContact O-CB 3.27Å; I24-F66 HydrophobicContact CD1-CB 4.26Å; I24-F66 HydrophobicContact CD1-CD1 3.87Å; I24-F66 HydrophobicContact CD1-CG 4.22Å; I24-F66 HydrophobicContact CG1-CB 4.42Å; I24-F66 HydrophobicContact CG1-CD1 3.74Å; I24-F66 HydrophobicContact CG1-CE1 4.49Å; I24-F66 HydrophobicContact CG1-CG 4.43Å; L63-F66 HydrophobicContact CB-CB 4.25Å; L63-F66 HydrophobicContact CB-CD2 4.27Å; L63-F66 HydrophobicContact CD2-CD2 4.04Å; L63-F66 HydrophobicContact CD2-CE2 4.37Å; L63-F66 PolarHBondContact O-N 3.24Å; D64-F66 VanDerWaalsContact C-N 3.35Å; F66-L371 HydrophobicContact CD2-CD1 4.4Å; F66-L371 HydrophobicContact CE1-CD1 4.33Å; F66-L371 HydrophobicContact CE2-CD1 3.46Å; F66-L371 VanDerWaalsContact CE2-CD1 3.46Å; F66-L371 HydrophobicContact CZ-CD1 3.41Å; F66-L371 VanDerWaalsContact CZ-CD1 3.41Å
67	D	93.4	Very high	93.3	Very high	48 Å²	48	48.3 Å²	48.3	26%	0.257	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	165.9	165.9	-151.6	-6.9	0	0	0	109.7	R22 T23 I24 K54 R58	R22-D67 PolarHBondContact O-N 2.87Å; T23-D67 CarbonylContact C-O 3.55Å; T23-D67 WeakPolarHBondContact CA-O 3.48Å; I24-D67 PolarHBondContact N-O 3.3Å; K54-D67 WeakPolarHBondContact CE-OD1 3.28Å; K54-D67 IonicContact NZ-OD1 3.17Å; K54-D67 PolarHBondContact NZ-OD1 3.4Å; R58-D67 IonicContact NH2-OD1 3.68Å; R58-D67 PolarHBondContact NH2-OD1 3.2Å; R58-D67 IonicContact NH2-OD2 3.79Å; R58-D67 PolarHBondContact NH2-OD2 3.32Å
68	F	94.9	Very high	93.1	Very high	14 Å²	14	52 Å²	52	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.6	-175.5	-56.2	-85.9	0	0	0	111.3	I24 V26 K54 I57 L63 F70 F360	I24-F68 HydrophobicContact CB-CD1 4Å; I24-F68 HydrophobicContact CB-CE1 4.32Å; I24-F68 HydrophobicContact CD1-CE1 3.97Å; I24-F68 HydrophobicContact CG2-CD1 4.41Å; I24-F68 WeakPolarHBondContact O-CA 3.41Å; V26-F68 HydrophobicContact CG2-CD1 4.02Å; K54-F68 HydrophobicContact CD-CB 4.46Å; K54-F68 HydrophobicContact CD-CD2 4.29Å; K54-F68 HydrophobicContact CG-CD2 4.13Å; K54-F68 PolarHBondContact NZ-O 3.21Å; I57-F68 HydrophobicContact CD1-CE2 4.41Å; I57-F68 HydrophobicContact CD1-CZ 4.35Å; I57-F68 HydrophobicContact CG2-CE2 4.13Å; I57-F68 HydrophobicContact CG2-CZ 4.36Å; L63-F68 HydrophobicContact CD1-CE1 4.4Å; L63-F68 HydrophobicContact CD1-CZ 3.96Å; F68-F70 HydrophobicContact CB-CE1 4.23Å; F68-F70 HydrophobicContact CB-CE2 4.13Å; F68-F70 HydrophobicContact CB-CZ 3.79Å; F68-F360 HydrophobicContact CB-CZ 4.47Å; F68-F360 AromaticContact CD1-CE2 3.94Å; F68-F360 HydrophobicContact CD1-CE2 3.94Å; F68-F360 AromaticContact CD1-CZ 3.71Å; F68-F360 HydrophobicContact CD1-CZ 3.71Å; F68-F360 HydrophobicContact CD2-CZ 4.19Å; F68-F360 AromaticContact CE1-CE2 3.95Å; F68-F360 HydrophobicContact CE1-CE2 3.95Å; F68-F360 AromaticContact CE1-CZ 3.89Å; F68-F360 HydrophobicContact CE1-CZ 3.89Å; F68-F360 HydrophobicContact CE2-CZ 4.35Å; F68-F360 AromaticContact CG-CZ 3.87Å; F68-F360 HydrophobicContact CG-CZ 3.87Å; F68-F360 HydrophobicContact CZ-CZ 4.2Å
69	E	96.3	Very high	93.1	Very high	79 Å²	79	51.5 Å²	51.5	37%	0.369	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.9	170	179.8	-174.9	-178.9	0	0	108.5	T23 I24 K25 V26 L71	T23-E69 HydrophobicContact CG2-CB 3.56Å; I24-E69 PolarHBondContact O-N 3.44Å; K25-E69 WeakPolarHBondContact CA-O 3.36Å; K25-E69 VanDerWaalsContact CE-OE2 3.28Å; K25-E69 WeakPolarHBondContact CE-OE2 3.37Å; V26-E69 PolarHBondContact N-O 3.45Å; E69-L71 HydrophobicContact CG-CD2 4.4Å; E69-L71 HydrophobicContact CG-CG 4.44Å
70	F	96.8	Very high	93.1	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.6	-178.6	-56.1	-77.2	0	0	0	110.7	V26 L28 V50 L51 K54 F68 W72 P334 F360	V26-F70 HydrophobicContact CB-CD1 3.72Å; V26-F70 HydrophobicContact CB-CE1 4.13Å; V26-F70 HydrophobicContact CG1-CD1 3.88Å; V26-F70 HydrophobicContact CG1-CE1 4.18Å; V26-F70 HydrophobicContact CG2-CD1 4.24Å; V26-F70 HydrophobicContact CG2-CE1 4.17Å; L28-F70 HydrophobicContact CD1-CB 4.18Å; L28-F70 HydrophobicContact CD1-CD1 4.27Å; V50-F70 HydrophobicContact CB-CD1 4.23Å; V50-F70 HydrophobicContact CB-CE1 3.7Å; V50-F70 HydrophobicContact CB-CZ 4.04Å; V50-F70 HydrophobicContact CG2-CD1 3.69Å; V50-F70 HydrophobicContact CG2-CD2 4.29Å; V50-F70 HydrophobicContact CG2-CE1 3.56Å; V50-F70 HydrophobicContact CG2-CE2 4.17Å; V50-F70 HydrophobicContact CG2-CG 4.07Å; V50-F70 HydrophobicContact CG2-CZ 3.81Å; L51-F70 HydrophobicContact CD2-CD2 4.01Å; L51-F70 HydrophobicContact CD2-CE2 3.7Å; K54-F70 HydrophobicContact CB-CZ 4.41Å; K54-F70 HydrophobicContact CD-CE2 3.84Å; K54-F70 HydrophobicContact CD-CZ 4.12Å; F68-F70 HydrophobicContact CB-CE1 4.23Å; F68-F70 HydrophobicContact CB-CE2 4.13Å; F68-F70 HydrophobicContact CB-CZ 3.79Å; F70-W72 WeakPolarHBondContact O-CZ3 3.34Å; F70-P334 HydrophobicContact CB-CG 4.15Å; F70-P334 HydrophobicContact CD2-CG 4.38Å; F70-F360 AromaticContact CE1-CE1 3.89Å; F70-F360 HydrophobicContact CE1-CE1 3.89Å; F70-F360 HydrophobicContact CE1-CE2 4.3Å; F70-F360 AromaticContact CE1-CZ 3.69Å; F70-F360 HydrophobicContact CE1-CZ 3.69Å; F70-F360 AromaticContact CZ-CE1 3.86Å; F70-F360 HydrophobicContact CZ-CE1 3.86Å; F70-F360 AromaticContact CZ-CZ 3.84Å; F70-F360 HydrophobicContact CZ-CZ 3.84Å
71	L	96.9	Very high	93.2	Very high	36 Å²	36	51.5 Å²	51.5	19%	0.188	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127	178.6	-59.5	173.5	0	0	0	108.2	K25 V26 G27 L28 E69 K93 V95	K25-L71 HydrophobicContact CD-CD1 4.45Å; V26-L71 PolarHBondContact O-N 3.15Å; G27-L71 CarbonylContact C-O 3.51Å; G27-L71 VanDerWaalsContact CA-O 3.28Å; G27-L71 WeakPolarHBondContact CA-O 3.47Å; L28-L71 PolarHBondContact N-O 3.34Å; E69-L71 HydrophobicContact CG-CD2 4.4Å; E69-L71 HydrophobicContact CG-CG 4.44Å; L71-K93 HydrophobicContact CB-CD 4.24Å; L71-K93 HydrophobicContact CD1-CB 3.9Å; L71-K93 HydrophobicContact CD1-CD 4.49Å; L71-K93 HydrophobicContact CD1-CG 4.29Å; L71-V95 HydrophobicContact CD1-CG1 4.2Å
72	W	95.5	Very high	93.2	Very high	64 Å²	64	45.1 Å²	45.1	24%	0.242	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	159.1	-176	63.1	97	0	0	0	113.4	L28 F30 Y43 F70 F74 K93 P334 F335	L28-W72 HydrophobicContact CB-CB 3.9Å; L28-W72 CarbonylContact O-C 3.58Å; L28-W72 WeakPolarHBondContact O-CA 3.39Å; L28-W72 WeakPolarHBondContact O-CB 2.93Å; F30-W72 HydrophobicContact CD2-CB 4.17Å; F30-W72 HydrophobicContact CE2-CB 4.22Å; Y43-W72 AromaticContact CE2-CD1 3.92Å; Y43-W72 HydrophobicContact CE2-CG 4.44Å; Y43-W72 AromaticContact CE2-NE1 3.88Å; Y43-W72 AromaticContact CZ-NE1 3.95Å; F70-W72 WeakPolarHBondContact O-CZ3 3.34Å; W72-F74 AromaticContact CD1-CZ 3.74Å; W72-F74 AromaticContact NE1-CZ 3.96Å; W72-K93 PolarHBondContact O-NZ 3.36Å; W72-P334 HydrophobicContact CH2-CB 3.92Å; W72-P334 HydrophobicContact CH2-CG 4.24Å; W72-P334 WeakPolarHBondContact CH2-O 3.44Å; W72-P334 HydrophobicContact CZ3-CB 3.79Å; W72-P334 HydrophobicContact CZ3-CG 3.74Å; W72-F335 HydrophobicContact CD2-CD1 4.24Å; W72-F335 HydrophobicContact CD2-CE1 4.06Å; W72-F335 HydrophobicContact CE3-CD1 4.14Å; W72-F335 AromaticContact CE3-CE1 3.81Å; W72-F335 HydrophobicContact CE3-CE1 3.81Å; W72-F335 HydrophobicContact CH2-CD1 4.06Å; W72-F335 HydrophobicContact CZ2-CD1 4.12Å; W72-F335 HydrophobicContact CZ3-CD1 4.07Å; W72-F335 HydrophobicContact CZ3-CE1 4.07Å
73	D	96	Very high	93.4	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	168.7	170.6	-93.3	-65.5	0	0	0	109.5	L28 L29 F30 K85 K93	L28-D73 PolarHBondContact O-N 3.47Å; L29-D73 HydrophobicContact CD2-CB 3.87Å; F30-D73 PolarHBondContact N-O 3.29Å; F30-D73 VanDerWaalsContact N-O 3.12Å; D73-K85 HydrophobicContact CB-CB 4.03Å; D73-K85 HydrophobicContact CB-CD 3.98Å; D73-K85 HydrophobicContact CB-CG 4.1Å; D73-K85 WeakPolarHBondContact OD1-CE 3.4Å; D73-K85 IonicContact OD1-NZ 3.99Å; D73-K85 PolarHBondContact OD1-NZ 3.34Å; D73-K93 IonicContact OD1-NZ 3.57Å; D73-K93 IonicContact OD2-NZ 3.49Å; D73-K93 PolarHBondContact OD2-NZ 3.25Å
74	F	95.7	Very high	93.7	Very high	44 Å²	44	46.9 Å²	46.9	19%	0.193	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114	-179.1	-53.8	-68.7	0	0	0	110.8	F30 Q32 Y43 W72 E76	F30-F74 HydrophobicContact CB-CD1 4.06Å; F30-F74 HydrophobicContact CB-CE1 4.26Å; F30-F74 CarbonylContact O-C 3.6Å; F30-F74 VanDerWaalsContact O-CA 3.22Å; F30-F74 WeakPolarHBondContact O-CA 3.48Å; Q32-F74 HydrophobicContact CB-CD1 3.71Å; Q32-F74 HydrophobicContact CB-CE1 3.92Å; Q32-F74 HydrophobicContact CB-CG 4.08Å; Q32-F74 HydrophobicContact CB-CZ 4.45Å; Q32-F74 HydrophobicContact CG-CE1 4.42Å; Y43-F74 HydrophobicContact CD1-CE1 4.01Å; Y43-F74 HydrophobicContact CD1-CZ 4.2Å; Y43-F74 AromaticContact CD2-CE1 3.73Å; Y43-F74 HydrophobicContact CD2-CE1 3.73Å; Y43-F74 HydrophobicContact CD2-CZ 4.27Å; Y43-F74 HydrophobicContact CE1-CZ 4.32Å; Y43-F74 HydrophobicContact CE2-CE1 4.25Å; Y43-F74 HydrophobicContact CE2-CZ 4.37Å; Y43-F74 AromaticContact CG-CE1 3.6Å; Y43-F74 HydrophobicContact CG-CE1 3.6Å; Y43-F74 HydrophobicContact CG-CZ 4.19Å; W72-F74 AromaticContact CD1-CZ 3.74Å; W72-F74 AromaticContact NE1-CZ 3.96Å; F74-E76 HydrophobicContact CB-CG 4.37Å
75	D	93.3	Very high	94.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.			trans	-86.7	-18.4	176.8	69.4	-81.1	0	0	0	112.7	F30 C77 N78 P106	F30-D75 PolarHBondContact O-N 3.15Å; F30-D75 VanDerWaalsContact O-N 3.12Å; D75-C77 PolarHBondContact O-N 3.42Å; D75-C77 VanDerWaalsContact O-N 3.11Å; D75-C77 VanDerWaalsContact OD2-CA 3.3Å; D75-C77 WeakPolarHBondContact OD2-CA 3.34Å; D75-C77 PolarHBondContact OD2-N 3.23Å; D75-N78 PolarHBondContact O-N 3.36Å; D75-P106 WeakPolarHBondContact OD2-CG 3.34Å
76	E	93.1	Very high	94.6	Very high	39 Å²	39	43.4 Å²	43.4	18%	0.182	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	29.6	179	-55.1	-70.5	-167.9	0	0	113.6	Q32 N33 V34 F74 N78 L81	Q32-E76 PolarHBondContact N-OE2 3.36Å; N33-E76 PolarHBondContact N-OE1 3.43Å; N33-E76 PolarHBondContact N-OE2 3.29Å; N33-E76 PolarHBondContact ND2-OE1 2.69Å; V34-E76 HydrophobicContact CG2-CB 4.35Å; F74-E76 HydrophobicContact CB-CG 4.37Å; E76-N78 PolarHBondContact O-N 3.44Å; E76-N78 VanDerWaalsContact O-N 3.08Å; E76-L81 HydrophobicContact CB-CD2 4.23Å; E76-L81 HydrophobicContact CG-CD2 4.11Å
77	C	89.9	Confident	94.8	Very high	31 Å²	31	44.1 Å²	44.1	21%	0.209	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	21.6	-173.1	-66.8	0	0	0	0	114.4	V31 L37 D75 C103	V31-C77 HydrophobicContact CG2-CB 4.48Å; V31-C77 WeakPolarHBondContact CG2-SG 3.38Å; L37-C77 HydrophobicContact CD1-CB 4.13Å; L37-C77 VanDerWaalsContact CD1-SG 3.53Å; D75-C77 PolarHBondContact O-N 3.42Å; D75-C77 VanDerWaalsContact O-N 3.11Å; D75-C77 VanDerWaalsContact OD2-CA 3.3Å; D75-C77 WeakPolarHBondContact OD2-CA 3.34Å; D75-C77 PolarHBondContact OD2-N 3.23Å; C77-C103 HydrophobicContact CB-CB 3.58Å; C77-C103 WeakPolarHBondContact CB-SG 3.4Å; C77-C103 WeakPolarHBondContact SG-CB 3.16Å; C77-C103 CovalentContact SG-SG 2.02Å; C77-C103 PolarHBondContact SG-SG 3.48Å
78	N	92.6	Very high	95	Very high	80 Å²	80	44.9 Å²	44.9	43%	0.428	24%	0.237	S	C	.	.			trans	-98.6	124.4	178.5	-178.1	-74.3	0	0	0	110.3	D75 E76 I80 L81 G82	D75-N78 PolarHBondContact O-N 3.36Å; E76-N78 PolarHBondContact O-N 3.44Å; E76-N78 VanDerWaalsContact O-N 3.08Å; N78-I80 PolarHBondContact O-N 2.76Å; N78-I80 PolarHBondContact OD1-N 2.68Å; N78-I80 VanDerWaalsContact OD1-N 3.07Å; N78-L81 HydrophobicContact CB-CB 3.92Å; N78-L81 PolarHBondContact O-N 2.84Å; N78-L81 PolarHBondContact OD1-N 3.29Å; N78-G82 PolarHBondContact O-N 3.48Å
79	E	92.1	Very high	95.1	Very high	91 Å²	91	44.2 Å²	44.2	43%	0.425	23%	0.234	S	C	.	.	H	α-helix	trans	-56.2	-44.7	-175.8	-175.4	178.3	175.9	0	0	113.6	A83 R105 I109	E79-A83 PolarHBondContact O-N 3.14Å; E79-A83 VanDerWaalsContact O-N 3.13Å; E79-R105 HydrophobicContact CB-CB 4.24Å; E79-I109 HydrophobicContact CG-CD1 3.26Å; E79-I109 HydrophobicContact CG-CG1 4.3Å; E79-I109 WeakPolarHBondContact OE1-CD1 3.46Å
80	I	94.3	Very high	95	Very high	140 Å²	140	40.5 Å²	40.5	72%	0.718	22%	0.216	S	C	*	.	H	α-helix	trans	-74	-43.5	-177.1	-59.3	174.1	0	0	0	110.4	N78 A83 G84	N78-I80 PolarHBondContact O-N 2.76Å; N78-I80 PolarHBondContact OD1-N 2.68Å; N78-I80 VanDerWaalsContact OD1-N 3.07Å; I80-A83 PolarHBondContact O-N 3.05Å; I80-G84 PolarHBondContact O-N 3.28Å; I80-G84 VanDerWaalsContact O-N 3.16Å
81	L	94.8	Very high	94.9	Very high	69 Å²	69	44.4 Å²	44.4	36%	0.361	24%	0.235	S	C	.	.	H	α-helix	trans	-64.7	-45.5	178.3	-174.1	59.4	0	0	0	110.6	E76 N78 A83 G84 K85	E76-L81 HydrophobicContact CB-CD2 4.23Å; E76-L81 HydrophobicContact CG-CD2 4.11Å; N78-L81 HydrophobicContact CB-CB 3.92Å; N78-L81 PolarHBondContact O-N 2.84Å; N78-L81 PolarHBondContact OD1-N 3.29Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 2.82Å; L81-G84 PolarHBondContact O-N 3.17Å; L81-G84 VanDerWaalsContact O-N 3.15Å; L81-K85 HydrophobicContact CD1-CG 4.19Å; L81-K85 HydrophobicContact CG-CG 4.25Å; L81-K85 WeakPolarHBondContact O-CB 3.33Å; L81-K85 WeakPolarHBondContact O-CG 3.29Å; L81-K85 PolarHBondContact O-N 3.21Å
82	G	94.1	Very high	94.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.9	-43.9	175.3	0	0	0	0	0	112.4	N78 G84 K85 T86	N78-G82 PolarHBondContact O-N 3.48Å; G82-G84 PolarHBondContact O-N 3.25Å; G82-K85 PolarHBondContact O-N 3.16Å; G82-T86 WeakPolarHBondContact O-CB 3.49Å; G82-T86 PolarHBondContact O-N 2.88Å; G82-T86 PolarHBondContact O-OG1 3.04Å
83	A	95.4	Very high	94.7	Very high	23 Å²	23	47.7 Å²	47.7	19%	0.19	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-48.6	174.7	0	0	0	0	0	112.6	E79 I80 L81 T86 V87 I109	E79-A83 PolarHBondContact O-N 3.14Å; E79-A83 VanDerWaalsContact O-N 3.13Å; I80-A83 PolarHBondContact O-N 3.05Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 2.82Å; A83-T86 PolarHBondContact O-N 3.24Å; A83-V87 WeakPolarHBondContact O-CG2 3.38Å; A83-V87 PolarHBondContact O-N 2.83Å; A83-V87 VanDerWaalsContact O-N 3.09Å; A83-I109 HydrophobicContact CB-CG2 3.54Å
84	G	96.1	Very high	94.7	Very high	36 Å²	36	52.9 Å²	52.9	37%	0.371	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-45	178.6	0	0	0	0	0	112.6	I80 L81 G82 V87 D88	I80-G84 PolarHBondContact O-N 3.28Å; I80-G84 VanDerWaalsContact O-N 3.16Å; L81-G84 PolarHBondContact O-N 3.17Å; L81-G84 VanDerWaalsContact O-N 3.15Å; G82-G84 PolarHBondContact O-N 3.25Å; G84-V87 PolarHBondContact O-N 2.81Å; G84-D88 PolarHBondContact O-N 2.66Å
85	K	96.7	Very high	94.7	Very high	50 Å²	50	50.8 Å²	50.8	22%	0.217	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-37.6	178.7	-67.1	-46.5	-165.8	161.2	0	113.1	L29 D73 L81 G82 V87 D88 L89	L29-K85 HydrophobicContact CD2-CB 3.9Å; D73-K85 HydrophobicContact CB-CB 4.03Å; D73-K85 HydrophobicContact CB-CD 3.98Å; D73-K85 HydrophobicContact CB-CG 4.1Å; D73-K85 WeakPolarHBondContact OD1-CE 3.4Å; D73-K85 IonicContact OD1-NZ 3.99Å; D73-K85 PolarHBondContact OD1-NZ 3.34Å; L81-K85 HydrophobicContact CD1-CG 4.19Å; L81-K85 HydrophobicContact CG-CG 4.25Å; L81-K85 WeakPolarHBondContact O-CB 3.33Å; L81-K85 WeakPolarHBondContact O-CG 3.29Å; L81-K85 PolarHBondContact O-N 3.21Å; G82-K85 PolarHBondContact O-N 3.16Å; K85-V87 VanDerWaalsContact C-N 3.34Å; K85-D88 IonicContact NZ-OD2 3.41Å; K85-D88 PolarHBondContact O-N 3.15Å; K85-L89 WeakPolarHBondContact O-CG 3.47Å; K85-L89 PolarHBondContact O-N 3.03Å
86	T	96.9	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-42.6	172.3	-64.6	0	0	0	0	111.1	L29 G82 A83 D88 L89 L90 I98 S110 L113	L29-T86 VanDerWaalsContact CD1-OG1 3.31Å; L29-T86 WeakPolarHBondContact CD1-OG1 3.31Å; G82-T86 WeakPolarHBondContact O-CB 3.49Å; G82-T86 PolarHBondContact O-N 2.88Å; G82-T86 PolarHBondContact O-OG1 3.04Å; A83-T86 PolarHBondContact O-N 3.24Å; T86-D88 PolarHBondContact O-N 3.39Å; T86-L89 PolarHBondContact O-N 2.81Å; T86-L90 HydrophobicContact CG2-CD1 3.73Å; T86-L90 HydrophobicContact CG2-CG 4.3Å; T86-L90 WeakPolarHBondContact O-CB 3.48Å; T86-L90 WeakPolarHBondContact O-CG 3.44Å; T86-L90 PolarHBondContact O-N 3.01Å; T86-I98 HydrophobicContact CG2-CD1 4.09Å; T86-S110 VanDerWaalsContact OG1-CB 3.32Å; T86-S110 WeakPolarHBondContact OG1-CB 3.43Å; T86-S110 PolarHBondContact OG1-OG 3.47Å; T86-L113 HydrophobicContact CG2-CD1 3.86Å
87	V	96.5	Very high	95	Very high	51 Å²	51	50 Å²	50	31%	0.309	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-42	174.6	173.6	0	0	0	0	111.9	A83 G84 K85 L89 L90 E91 L113	A83-V87 WeakPolarHBondContact O-CG2 3.38Å; A83-V87 PolarHBondContact O-N 2.83Å; A83-V87 VanDerWaalsContact O-N 3.09Å; G84-V87 PolarHBondContact O-N 2.81Å; K85-V87 VanDerWaalsContact C-N 3.34Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 2.74Å; V87-L90 PolarHBondContact O-N 3.22Å; V87-E91 HydrophobicContact CG1-CG 4.36Å; V87-E91 WeakPolarHBondContact O-CB 3.48Å; V87-E91 PolarHBondContact O-N 3.03Å; V87-L113 HydrophobicContact CG2-CD1 4.04Å; V87-L113 HydrophobicContact CG2-CD2 4.16Å
88	D	96.5	Very high	95.4	Very high	64 Å²	64	48.6 Å²	48.6	34%	0.342	26%	0.258	S	S	.	.	I	π-helix	trans	-59.3	-43.5	175.3	-73.9	-19.5	0	0	0	111.7	G84 K85 T86 L90 V92 K93	G84-D88 PolarHBondContact O-N 2.66Å; K85-D88 IonicContact NZ-OD2 3.41Å; K85-D88 PolarHBondContact O-N 3.15Å; T86-D88 PolarHBondContact O-N 3.39Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 3.36Å; D88-V92 WeakPolarHBondContact O-CA 3.31Å; D88-V92 VanDerWaalsContact O-CB 3.3Å; D88-V92 WeakPolarHBondContact O-CB 3.45Å; D88-V92 PolarHBondContact O-N 3.32Å; D88-V92 VanDerWaalsContact O-N 3.11Å; D88-K93 PolarHBondContact O-N 3.44Å
89	L	96.8	Very high	95.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-60.6	-43.6	175.4	-73.1	-179.5	0	0	0	111.7	L29 K85 T86 V87 K93 K94 V95 I98	L29-L89 HydrophobicContact CD1-CD1 4.07Å; L29-L89 HydrophobicContact CD2-CD1 3.65Å; L29-L89 HydrophobicContact CG-CD1 3.68Å; K85-L89 WeakPolarHBondContact O-CG 3.47Å; K85-L89 PolarHBondContact O-N 3.03Å; T86-L89 PolarHBondContact O-N 2.81Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 2.74Å; L89-K93 HydrophobicContact CD2-CD 3.61Å; L89-K93 CarbonylContact O-C 3.57Å; L89-K94 PolarHBondContact O-N 3.47Å; L89-V95 HydrophobicContact CB-CG1 4.41Å; L89-V95 HydrophobicContact CB-CG2 4.06Å; L89-V95 HydrophobicContact CD2-CG1 4.22Å; L89-V95 WeakPolarHBondContact O-CG2 2.93Å; L89-V95 PolarHBondContact O-N 3.4Å; L89-V95 VanDerWaalsContact O-N 3.11Å; L89-I98 HydrophobicContact CB-CD1 4.38Å; L89-I98 HydrophobicContact CD1-CD1 4.42Å; L89-I98 HydrophobicContact CD1-CG1 4.44Å; L89-I98 HydrophobicContact CD1-CG2 4.31Å
90	L	94.9	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-75.7	-47.6	-173.5	-68.6	174.6	0	0	0	113.7	T86 V87 D88 K94 V95 I98 Y117 I119 R380	T86-L90 HydrophobicContact CG2-CD1 3.73Å; T86-L90 HydrophobicContact CG2-CG 4.3Å; T86-L90 WeakPolarHBondContact O-CB 3.48Å; T86-L90 WeakPolarHBondContact O-CG 3.44Å; T86-L90 PolarHBondContact O-N 3.01Å; V87-L90 PolarHBondContact O-N 3.22Å; D88-L90 VanDerWaalsContact C-N 3.34Å; D88-L90 PolarHBondContact O-N 3.36Å; L90-K94 WeakPolarHBondContact O-CA 3.45Å; L90-V95 HydrophobicContact CD2-CG2 4.49Å; L90-I98 HydrophobicContact CD2-CD1 3.7Å; L90-I98 HydrophobicContact CG-CD1 3.98Å; L90-Y117 HydrophobicContact CD1-CD2 3.65Å; L90-Y117 HydrophobicContact CD1-CE2 4.04Å; L90-Y117 HydrophobicContact CD1-CG 4.46Å; L90-I119 HydrophobicContact CD2-CB 4.28Å; L90-I119 HydrophobicContact CD2-CD1 3.36Å; L90-I119 HydrophobicContact CD2-CG1 4.41Å; L90-I119 HydrophobicContact CD2-CG2 4.11Å; L90-R380 PolarHBondContact O-NH2 3.38Å
91	E	93.9	Very high	95.7	Very high	93 Å²	93	33.8 Å²	33.8	44%	0.435	18%	0.183	S	C	.	.	I	π-helix	trans	-96.3	-42.5	-171.2	-74.1	-62.6	124.4	0	0	112.9	V87 K94 Y117	V87-E91 HydrophobicContact CG1-CG 4.36Å; V87-E91 WeakPolarHBondContact O-CB 3.48Å; V87-E91 PolarHBondContact O-N 3.03Å; E91-K94 WeakPolarHBondContact O-CG 3.44Å; E91-Y117 WeakPolarHBondContact OE1-CE1 3.26Å
92	V	94.9	Very high	95.6	Very high	110 Å²	110	30.5 Å²	30.5	67%	0.667	17%	0.166	S	C	*	.	I	π-helix	trans	-85.9	-54.8	-175.6	-176.1	0	0	0	0	110.5	D88	D88-V92 WeakPolarHBondContact O-CA 3.31Å; D88-V92 VanDerWaalsContact O-CB 3.3Å; D88-V92 WeakPolarHBondContact O-CB 3.45Å; D88-V92 PolarHBondContact O-N 3.32Å; D88-V92 VanDerWaalsContact O-N 3.11Å
93	K	95.2	Very high	95.4	Very high	59 Å²	59	31.2 Å²	31.2	26%	0.257	17%	0.171	S	C	.	.	S	Bend	trans	-81.2	-22.1	-177.5	-72.5	169.7	171.6	179.9	0	113	K25 L71 W72 D73 D88 L89 V95	K25-K93 PolarHBondContact NZ-O 2.81Å; L71-K93 HydrophobicContact CB-CD 4.24Å; L71-K93 HydrophobicContact CD1-CB 3.9Å; L71-K93 HydrophobicContact CD1-CD 4.49Å; L71-K93 HydrophobicContact CD1-CG 4.29Å; W72-K93 PolarHBondContact O-NZ 3.36Å; D73-K93 IonicContact OD1-NZ 3.57Å; D73-K93 IonicContact OD2-NZ 3.49Å; D73-K93 PolarHBondContact OD2-NZ 3.25Å; D88-K93 PolarHBondContact O-N 3.44Å; L89-K93 HydrophobicContact CD2-CD 3.61Å; L89-K93 CarbonylContact O-C 3.57Å; K93-V95 HydrophobicContact CB-CG1 4.26Å
94	K	94.5	Very high	95.2	Very high	130 Å²	130	30.7 Å²	30.7	57%	0.565	17%	0.166	S	C	*	.			trans	54.4	52.8	178.2	-60.8	-175.5	177.5	-175.9	0	112.7	L89 L90 E91	L89-K94 PolarHBondContact O-N 3.47Å; L90-K94 WeakPolarHBondContact O-CA 3.45Å; E91-K94 WeakPolarHBondContact O-CG 3.44Å
95	V	96.5	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.			trans	-67.3	154.4	176.5	-57.8	0	0	0	0	112.1	K25 L71 L89 L90 K93 I98	K25-V95 HydrophobicContact CB-CB 4.48Å; L71-V95 HydrophobicContact CD1-CG1 4.2Å; L89-V95 HydrophobicContact CB-CG1 4.41Å; L89-V95 HydrophobicContact CB-CG2 4.06Å; L89-V95 HydrophobicContact CD2-CG1 4.22Å; L89-V95 WeakPolarHBondContact O-CG2 2.93Å; L89-V95 PolarHBondContact O-N 3.4Å; L89-V95 VanDerWaalsContact O-N 3.11Å; L90-V95 HydrophobicContact CD2-CG2 4.49Å; K93-V95 HydrophobicContact CB-CG1 4.26Å; V95-I98 HydrophobicContact CG2-CD1 4.23Å; V95-I98 HydrophobicContact CG2-CG1 3.71Å
96	D	95.8	Very high	94.8	Very high	24 Å²	24	32.1 Å²	32.1	13%	0.128	16%	0.159	C	C	.	.	S	Bend	trans	-94	-22.2	177.7	-59.8	-57.1	0	0	0	112.4	I24 K25 P120	I24-D96 HydrophobicContact CG2-CB 4.04Å; K25-D96 PolarHBondContact N-OD2 2.79Å; K25-D96 PolarHBondContact O-N 3.41Å; D96-P120 WeakPolarHBondContact O-CD 3.46Å
97	V	97	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	150.8	179.6	58.4	0	0	0	0	109.8	V26 G27 F99 P120 F122 Y363	V26-V97 HydrophobicContact CB-CG1 4.28Å; V26-V97 HydrophobicContact CG1-CG1 4.18Å; V26-V97 HydrophobicContact CG2-CG1 3.96Å; G27-V97 PolarHBondContact N-O 3Å; V97-F99 HydrophobicContact CB-CE2 4.43Å; V97-F99 HydrophobicContact CG1-CE2 3.87Å; V97-F99 HydrophobicContact CG2-CD2 4.27Å; V97-F99 HydrophobicContact CG2-CE2 3.64Å; V97-F99 HydrophobicContact CG2-CZ 3.98Å; V97-P120 HydrophobicContact CB-CG 3.98Å; V97-P120 HydrophobicContact CG2-CB 4.33Å; V97-P120 HydrophobicContact CG2-CG 3.95Å; V97-F122 HydrophobicContact CG2-CD2 3.74Å; V97-F122 HydrophobicContact CG2-CE2 3.75Å; V97-Y363 HydrophobicContact CB-CD2 4.38Å; V97-Y363 HydrophobicContact CB-CE1 4.38Å; V97-Y363 HydrophobicContact CB-CE2 3.74Å; V97-Y363 HydrophobicContact CG1-CD1 4.43Å; V97-Y363 HydrophobicContact CG1-CE1 3.81Å; V97-Y363 HydrophobicContact CG1-CE2 4.09Å; V97-Y363 HydrophobicContact CG2-CD2 3.87Å; V97-Y363 HydrophobicContact CG2-CE2 3.73Å; V97-Y363 HydrophobicContact CG2-CG 4.33Å
98	I	97.6	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.2	174.6	-60.1	176.5	0	0	0	110.1	G27 L29 T86 L89 L90 V95 G100 P120 I121 F122	G27-I98 CarbonylContact O-C 3.53Å; G27-I98 WeakPolarHBondContact O-CA 3.16Å; L29-I98 HydrophobicContact CD1-CG2 4.07Å; L29-I98 HydrophobicContact CG-CG2 4.46Å; T86-I98 HydrophobicContact CG2-CD1 4.09Å; L89-I98 HydrophobicContact CB-CD1 4.38Å; L89-I98 HydrophobicContact CD1-CD1 4.42Å; L89-I98 HydrophobicContact CD1-CG1 4.44Å; L89-I98 HydrophobicContact CD1-CG2 4.31Å; L90-I98 HydrophobicContact CD2-CD1 3.7Å; L90-I98 HydrophobicContact CG-CD1 3.98Å; V95-I98 HydrophobicContact CG2-CD1 4.23Å; V95-I98 HydrophobicContact CG2-CG1 3.71Å; I98-G100 WeakPolarHBondContact CG2-O 3.23Å; I98-P120 PolarHBondContact N-O 3.38Å; I98-I121 HydrophobicContact CB-CB 4.37Å; I98-I121 HydrophobicContact CB-CD1 4.27Å; I98-I121 HydrophobicContact CB-CG1 3.96Å; I98-I121 HydrophobicContact CG2-CD1 4.02Å; I98-I121 HydrophobicContact CG2-CG1 4.01Å; I98-I121 CarbonylContact O-C 3.6Å; I98-I121 VanDerWaalsContact O-CA 3.31Å; I98-I121 WeakPolarHBondContact O-CA 3.4Å; I98-F122 PolarHBondContact O-N 2.87Å
99	F	97.4	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.8	166.7	-63.5	-94.6	0	0	0	110.2	V26 G27 L28 L29 V97 F122 L356 A359 F360 Y363	V26-F99 HydrophobicContact CG1-CD2 3.6Å; V26-F99 HydrophobicContact CG1-CE2 3.74Å; G27-F99 PolarHBondContact O-N 3.49Å; L28-F99 WeakPolarHBondContact CA-O 3.16Å; L28-F99 HydrophobicContact CD2-CB 3.86Å; L28-F99 HydrophobicContact CD2-CD2 4.14Å; L28-F99 HydrophobicContact CD2-CG 4.35Å; L29-F99 PolarHBondContact N-O 3Å; V97-F99 HydrophobicContact CB-CE2 4.43Å; V97-F99 HydrophobicContact CG1-CE2 3.87Å; V97-F99 HydrophobicContact CG2-CD2 4.27Å; V97-F99 HydrophobicContact CG2-CE2 3.64Å; V97-F99 HydrophobicContact CG2-CZ 3.98Å; F99-F122 CarbonylContact C-O 3Å; F99-F122 WeakPolarHBondContact CA-O 3.26Å; F99-F122 HydrophobicContact CD1-CB 3.51Å; F99-F122 HydrophobicContact CD1-CD2 4.3Å; F99-F122 HydrophobicContact CD1-CG 4.15Å; F99-F122 HydrophobicContact CE1-CB 3.6Å; F99-F122 AromaticContact CE1-CD2 3.7Å; F99-F122 HydrophobicContact CE1-CD2 3.7Å; F99-F122 AromaticContact CE1-CG 3.71Å; F99-F122 HydrophobicContact CE1-CG 3.71Å; F99-F122 HydrophobicContact CG-CB 4.38Å; F99-F122 AromaticContact CZ-CD2 3.88Å; F99-F122 HydrophobicContact CZ-CD2 3.88Å; F99-F122 HydrophobicContact CZ-CE2 4.4Å; F99-F122 HydrophobicContact CZ-CG 4.35Å; F99-L356 HydrophobicContact CB-CD1 3.78Å; F99-L356 HydrophobicContact CD1-CD1 4.2Å; F99-L356 HydrophobicContact CG-CD1 4.14Å; F99-A359 HydrophobicContact CD1-CB 4Å; F99-A359 HydrophobicContact CE1-CB 3.9Å; F99-F360 HydrophobicContact CE1-CB 4.05Å; F99-F360 AromaticContact CE2-CD2 3.76Å; F99-F360 HydrophobicContact CE2-CD2 3.76Å; F99-F360 HydrophobicContact CZ-CB 4.06Å; F99-F360 AromaticContact CZ-CD2 3.69Å; F99-F360 HydrophobicContact CZ-CD2 3.69Å; F99-F360 HydrophobicContact CZ-CG 4.34Å; F99-Y363 HydrophobicContact CZ-CD1 4.2Å; F99-Y363 HydrophobicContact CZ-CG 4.01Å
100	G	94.3	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.			trans	90.1	178.2	-165.5	0	0	0	0	0	111.9	I98 I121 F122	I98-G100 WeakPolarHBondContact CG2-O 3.23Å; G100-I121 WeakPolarHBondContact O-CD1 3.38Å; G100-I121 WeakPolarHBondContact O-CG1 3.38Å; G100-F122 PolarHBondContact N-O 2.99Å
101	P	95	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.			cis	-62.4	158.9	9.1	-23.4	34.3	0	0	0	117.2	L29 C103 P106 S110 E123 T127	L29-P101 HydrophobicContact CB-CG 4.43Å; L29-P101 HydrophobicContact CD1-CG 3.72Å; P101-C103 VanDerWaalsContact C-N 3.33Å; P101-C103 PolarHBondContact O-N 3.36Å; P101-P106 HydrophobicContact CB-CB 3.84Å; P101-P106 HydrophobicContact CB-CG 3.8Å; P101-P106 HydrophobicContact CG-CB 3.9Å; P101-P106 HydrophobicContact CG-CG 4.41Å; P101-S110 VanDerWaalsContact CG-OG 3.28Å; P101-S110 WeakPolarHBondContact CG-OG 3.45Å; P101-E123 WeakPolarHBondContact CD-OE2 3.39Å; P101-T127 WeakPolarHBondContact O-CG2 3.44Å
102	T	91.7	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-87.2	4.5	-176.8	50.3	0	0	0	0	115.2	V31 I41 W124 L126	V31-T102 WeakPolarHBondContact CG2-OG1 3.49Å; I41-T102 HydrophobicContact CB-CG2 4.26Å; I41-T102 WeakPolarHBondContact CD1-OG1 3.34Å; I41-T102 HydrophobicContact CG2-CG2 4.44Å; T102-W124 VanDerWaalsContact CA-O 3.32Å; T102-W124 WeakPolarHBondContact CA-O 3.35Å; T102-W124 HydrophobicContact CG2-CD2 4Å; T102-W124 VanDerWaalsContact CG2-CE2 3.46Å; T102-W124 HydrophobicContact CG2-CE3 4.36Å; T102-W124 HydrophobicContact CG2-CH2 3.78Å; T102-W124 HydrophobicContact CG2-CZ2 3.32Å; T102-W124 HydrophobicContact CG2-CZ3 4.28Å; T102-L126 CarbonylContact O-C 3.46Å; T102-L126 WeakPolarHBondContact O-CA 3.47Å; T102-L126 WeakPolarHBondContact O-CB 3.49Å; T102-L126 PolarHBondContact O-N 3.29Å
103	C	90.5	Very high	94.7	Very high	15 Å²	15	25.7 Å²	25.7	10%	0.101	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-134.9	145	-174.8	-81.2	0	0	0	0	112	C77 P101 R105 P106 A107	C77-C103 HydrophobicContact CB-CB 3.58Å; C77-C103 WeakPolarHBondContact CB-SG 3.4Å; C77-C103 WeakPolarHBondContact SG-CB 3.16Å; C77-C103 CovalentContact SG-SG 2.02Å; C77-C103 PolarHBondContact SG-SG 3.48Å; P101-C103 VanDerWaalsContact C-N 3.33Å; P101-C103 PolarHBondContact O-N 3.36Å; C103-R105 PolarHBondContact O-N 3.45Å; C103-P106 HydrophobicContact CB-CG 3.87Å; C103-P106 VanDerWaalsContact O-CD 3.26Å; C103-P106 WeakPolarHBondContact O-CD 3.5Å; C103-P106 WeakPolarHBondContact O-CG 3.31Å; C103-A107 WeakPolarHBondContact O-CB 3.41Å; C103-A107 PolarHBondContact O-N 3.04Å
104	S	90.3	Very high	94.7	Very high	12 Å²	12	22.9 Å²	22.9	8%	0.084	12%	0.115	C	C	.	.	H	α-helix	trans	-54.6	-47.2	-172.6	-64.7	0	0	0	0	115.3	A107 L108 L126 S128 T129	S104-A107 PolarHBondContact O-N 2.78Å; S104-L108 WeakPolarHBondContact O-CG 3.36Å; S104-L108 PolarHBondContact O-N 3.27Å; S104-L108 VanDerWaalsContact O-N 3.07Å; S104-L126 PolarHBondContact OG-O 2.79Å; S104-S128 PolarHBondContact OG-N 3.31Å; S104-S128 PolarHBondContact OG-OG 3.33Å; S104-T129 PolarHBondContact OG-N 2.7Å
105	R	90.2	Very high	94.7	Very high	117 Å²	117	18.5 Å²	18.5	44%	0.442	10%	0.1	S	C	.	.	H	α-helix	trans	-62.3	-56.9	-177.5	-69	-174	-180	148.6	-0.6	113.4	E79 C103 A107 L108 E178	E79-R105 HydrophobicContact CB-CB 4.24Å; C103-R105 PolarHBondContact O-N 3.45Å; R105-A107 VanDerWaalsContact C-N 3.25Å; R105-A107 PolarHBondContact O-N 3.39Å; R105-L108 PolarHBondContact O-N 3.33Å; R105-E178 VanDerWaalsContact CG-OE2 3.29Å; R105-E178 WeakPolarHBondContact CG-OE2 3.45Å; R105-E178 VanDerWaalsContact CZ-CD 3.47Å; R105-E178 IonicContact CZ-OE1 3.45Å; R105-E178 IonicContact CZ-OE2 2.76Å; R105-E178 IonicContact NE-OE1 2.8Å; R105-E178 PolarHBondContact NE-OE1 3.02Å; R105-E178 IonicContact NE-OE2 2.77Å; R105-E178 PolarHBondContact NE-OE2 2.85Å; R105-E178 IonicContact NH2-OE1 3.25Å; R105-E178 PolarHBondContact NH2-OE1 3.45Å
106	P	93.8	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-30.9	176.9	25.6	-34.6	0	0	0	112.4	D75 P101 C103 L108 I109 S110	D75-P106 WeakPolarHBondContact OD2-CG 3.34Å; P101-P106 HydrophobicContact CB-CB 3.84Å; P101-P106 HydrophobicContact CB-CG 3.8Å; P101-P106 HydrophobicContact CG-CB 3.9Å; P101-P106 HydrophobicContact CG-CG 4.41Å; C103-P106 HydrophobicContact CB-CG 3.87Å; C103-P106 VanDerWaalsContact O-CD 3.26Å; C103-P106 WeakPolarHBondContact O-CD 3.5Å; C103-P106 WeakPolarHBondContact O-CG 3.31Å; P106-L108 PolarHBondContact O-N 3.18Å; P106-I109 PolarHBondContact O-N 3.4Å; P106-S110 VanDerWaalsContact O-CB 3.27Å; P106-S110 WeakPolarHBondContact O-CB 3.49Å; P106-S110 PolarHBondContact O-N 3.18Å; P106-S110 PolarHBondContact O-OG 3.48Å
107	A	94.6	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-41.7	175.9	0	0	0	0	0	112.5	C103 S104 R105 I109 S110 S111 E123 T127 L132	C103-A107 WeakPolarHBondContact O-CB 3.41Å; C103-A107 PolarHBondContact O-N 3.04Å; S104-A107 PolarHBondContact O-N 2.78Å; R105-A107 VanDerWaalsContact C-N 3.25Å; R105-A107 PolarHBondContact O-N 3.39Å; A107-I109 PolarHBondContact O-N 3.36Å; A107-S110 PolarHBondContact O-N 3.09Å; A107-S111 WeakPolarHBondContact O-CB 3.43Å; A107-S111 PolarHBondContact O-N 3.07Å; A107-S111 PolarHBondContact O-OG 3.35Å; A107-S111 VanDerWaalsContact O-OG 3.12Å; A107-E123 HydrophobicContact CB-CG 4.3Å; A107-T127 HydrophobicContact CB-CG2 4.02Å; A107-L132 HydrophobicContact CB-CD1 3.78Å; A107-L132 HydrophobicContact CB-CD2 4.36Å
108	L	94	Very high	94.5	Very high	37 Å²	37	32.3 Å²	32.3	19%	0.194	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-44.5	178.7	-73.4	169.4	0	0	0	113.1	S104 R105 P106 A112 T129 Q131 L132 F138	S104-L108 WeakPolarHBondContact O-CG 3.36Å; S104-L108 PolarHBondContact O-N 3.27Å; S104-L108 VanDerWaalsContact O-N 3.07Å; R105-L108 PolarHBondContact O-N 3.33Å; P106-L108 PolarHBondContact O-N 3.18Å; L108-A112 PolarHBondContact O-N 2.84Å; L108-T129 HydrophobicContact CD1-CG2 4.26Å; L108-T129 HydrophobicContact CD2-CG2 3.98Å; L108-T129 HydrophobicContact CG-CG2 4.05Å; L108-Q131 HydrophobicContact CD2-CB 3.67Å; L108-L132 HydrophobicContact CD2-CD2 3.92Å; L108-L132 HydrophobicContact CD2-CG 3.98Å; L108-L132 HydrophobicContact CG-CD2 4.49Å; L108-F138 HydrophobicContact CD2-CE2 4.1Å; L108-F138 HydrophobicContact CD2-CZ 4.24Å
109	I	95.2	Very high	94.4	Very high	51 Å²	51	32.3 Å²	32.3	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-73.2	-40	177.5	-67.7	174.7	0	0	0	111	E79 A83 P106 A107 S111 A112 L113	E79-I109 HydrophobicContact CG-CD1 3.26Å; E79-I109 HydrophobicContact CG-CG1 4.3Å; E79-I109 WeakPolarHBondContact OE1-CD1 3.46Å; A83-I109 HydrophobicContact CB-CG2 3.54Å; P106-I109 PolarHBondContact O-N 3.4Å; A107-I109 PolarHBondContact O-N 3.36Å; I109-S111 VanDerWaalsContact C-N 3.28Å; I109-S111 PolarHBondContact O-N 3.04Å; I109-A112 WeakPolarHBondContact O-CB 3.36Å; I109-A112 PolarHBondContact O-N 2.63Å; I109-L113 HydrophobicContact CG2-CD1 4.25Å; I109-L113 PolarHBondContact O-N 3.24Å
110	S	96.4	Very high	94.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-35.4	179.9	-58.2	0	0	0	0	111.9	T86 P101 P106 A107 L113 A114	T86-S110 VanDerWaalsContact OG1-CB 3.32Å; T86-S110 WeakPolarHBondContact OG1-CB 3.43Å; T86-S110 PolarHBondContact OG1-OG 3.47Å; P101-S110 VanDerWaalsContact CG-OG 3.28Å; P101-S110 WeakPolarHBondContact CG-OG 3.45Å; P106-S110 VanDerWaalsContact O-CB 3.27Å; P106-S110 WeakPolarHBondContact O-CB 3.49Å; P106-S110 PolarHBondContact O-N 3.18Å; P106-S110 PolarHBondContact O-OG 3.48Å; A107-S110 PolarHBondContact O-N 3.09Å; S110-L113 CarbonylContact O-C 3.57Å; S110-L113 VanDerWaalsContact O-CA 3.24Å; S110-L113 WeakPolarHBondContact O-CA 3.35Å; S110-L113 PolarHBondContact O-N 3.27Å; S110-A114 WeakPolarHBondContact O-CB 3.45Å; S110-A114 PolarHBondContact O-N 3.13Å
111	S	95.8	Very high	94.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.4	-38.5	173.1	-76.9	0	0	0	0	113.3	A107 I109 L113 A114 T115 E123 L132 T141	A107-S111 WeakPolarHBondContact O-CB 3.43Å; A107-S111 PolarHBondContact O-N 3.07Å; A107-S111 PolarHBondContact O-OG 3.35Å; A107-S111 VanDerWaalsContact O-OG 3.12Å; I109-S111 VanDerWaalsContact C-N 3.28Å; I109-S111 PolarHBondContact O-N 3.04Å; S111-L113 VanDerWaalsContact C-N 3.32Å; S111-A114 PolarHBondContact O-N 2.75Å; S111-T115 VanDerWaalsContact O-CB 3.3Å; S111-T115 WeakPolarHBondContact O-CB 3.29Å; S111-T115 PolarHBondContact O-N 2.61Å; S111-T115 PolarHBondContact O-OG1 2.91Å; S111-E123 PolarHBondContact OG-OE1 3.24Å; S111-L132 WeakPolarHBondContact OG-CD2 3.46Å; S111-T141 WeakPolarHBondContact CB-OG1 3.4Å; S111-T141 WeakPolarHBondContact OG-CG2 3.45Å; S111-T141 PolarHBondContact OG-OG1 3.13Å
112	A	96.4	Very high	94.4	Very high	49 Å²	49	32.3 Å²	32.3	41%	0.405	16%	0.155	S	C	.	.	H	α-helix	trans	-63	-42.9	169.6	0	0	0	0	0	111.2	L108 I109 T115 Y116 F138	L108-A112 PolarHBondContact O-N 2.84Å; I109-A112 WeakPolarHBondContact O-CB 3.36Å; I109-A112 PolarHBondContact O-N 2.63Å; A112-T115 PolarHBondContact O-N 3.2Å; A112-Y116 PolarHBondContact O-N 3.46Å; A112-F138 HydrophobicContact CB-CE1 4.07Å
113	L	96.3	Very high	94.5	Very high	45 Å²	45	32.3 Å²	32.3	24%	0.236	16%	0.155	C	C	.	.	H	α-helix	trans	-36.9	-72.8	162.7	61.1	70	0	0	0	112.6	T86 V87 I109 S110 S111 T115 Y116 Y117	T86-L113 HydrophobicContact CG2-CD1 3.86Å; V87-L113 HydrophobicContact CG2-CD1 4.04Å; V87-L113 HydrophobicContact CG2-CD2 4.16Å; I109-L113 HydrophobicContact CG2-CD1 4.25Å; I109-L113 PolarHBondContact O-N 3.24Å; S110-L113 CarbonylContact O-C 3.57Å; S110-L113 VanDerWaalsContact O-CA 3.24Å; S110-L113 WeakPolarHBondContact O-CA 3.35Å; S110-L113 PolarHBondContact O-N 3.27Å; S111-L113 VanDerWaalsContact C-N 3.32Å; L113-T115 VanDerWaalsContact C-N 3.3Å; L113-T115 PolarHBondContact O-N 2.7Å; L113-Y116 WeakPolarHBondContact O-CB 3.38Å; L113-Y116 PolarHBondContact O-N 3.02Å; L113-Y116 VanDerWaalsContact O-N 3.16Å; L113-Y117 HydrophobicContact CB-CD2 4.47Å; L113-Y117 HydrophobicContact CB-CE2 4.44Å; L113-Y117 WeakPolarHBondContact O-CD2 3.48Å; L113-Y117 PolarHBondContact O-N 3.42Å
114	A	95.3	Very high	94.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-38.9	-174.9	0	0	0	0	0	112	S110 S111 Y117 N118 I119 I121 T140	S110-A114 WeakPolarHBondContact O-CB 3.45Å; S110-A114 PolarHBondContact O-N 3.13Å; S111-A114 PolarHBondContact O-N 2.75Å; A114-Y117 CarbonylContact O-C 3.51Å; A114-Y117 PolarHBondContact O-N 2.77Å; A114-N118 CarbonylContact O-C 3.57Å; A114-N118 WeakPolarHBondContact O-CA 3.29Å; A114-N118 PolarHBondContact O-N 3.21Å; A114-I119 WeakPolarHBondContact CB-O 3.26Å; A114-I119 PolarHBondContact O-N 2.73Å; A114-I121 HydrophobicContact CB-CB 3.78Å; A114-I121 HydrophobicContact CB-CD1 4.28Å; A114-I121 HydrophobicContact CB-CG2 3.6Å; A114-T140 PolarHBondContact O-OG1 3.16Å
115	T	95	Very high	94.5	Very high	39 Å²	39	31.1 Å²	31.1	24%	0.239	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-44.5	176	-64.5	0	0	0	0	111.5	S111 A112 L113 Y117 N118 P139 T140	S111-T115 VanDerWaalsContact O-CB 3.3Å; S111-T115 WeakPolarHBondContact O-CB 3.29Å; S111-T115 PolarHBondContact O-N 2.61Å; S111-T115 PolarHBondContact O-OG1 2.91Å; A112-T115 PolarHBondContact O-N 3.2Å; L113-T115 VanDerWaalsContact C-N 3.3Å; L113-T115 PolarHBondContact O-N 2.7Å; T115-Y117 VanDerWaalsContact C-N 3.34Å; T115-Y117 PolarHBondContact O-N 3.2Å; T115-N118 PolarHBondContact O-N 3.06Å; T115-N118 VanDerWaalsContact O-N 3.1Å; T115-P139 HydrophobicContact CG2-CG 3.95Å; T115-T140 WeakPolarHBondContact CA-OG1 3.38Å; T115-T140 PolarHBondContact N-OG1 2.94Å
116	Y	95.3	Very high	94.3	Very high	185 Å²	185	27 Å²	27	73%	0.725	13%	0.134	S	C	*	.	H	α-helix	trans	-61	-42.1	179.1	176.3	-97	0	0	0	112.3	A112 L113 N118	A112-Y116 PolarHBondContact O-N 3.46Å; L113-Y116 WeakPolarHBondContact O-CB 3.38Å; L113-Y116 PolarHBondContact O-N 3.02Å; L113-Y116 VanDerWaalsContact O-N 3.16Å; Y116-N118 VanDerWaalsContact C-N 3.29Å
117	Y	94.8	Very high	94	Very high	80 Å²	80	27 Å²	27	31%	0.314	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	0.9	176.8	-67.3	-79.9	0	0	0	113.8	L90 E91 L113 A114 T115 I119	L90-Y117 HydrophobicContact CD1-CD2 3.65Å; L90-Y117 HydrophobicContact CD1-CE2 4.04Å; L90-Y117 HydrophobicContact CD1-CG 4.46Å; E91-Y117 WeakPolarHBondContact OE1-CE1 3.26Å; L113-Y117 HydrophobicContact CB-CD2 4.47Å; L113-Y117 HydrophobicContact CB-CE2 4.44Å; L113-Y117 WeakPolarHBondContact O-CD2 3.48Å; L113-Y117 PolarHBondContact O-N 3.42Å; A114-Y117 CarbonylContact O-C 3.51Å; A114-Y117 PolarHBondContact O-N 2.77Å; T115-Y117 VanDerWaalsContact C-N 3.34Å; T115-Y117 PolarHBondContact O-N 3.2Å; Y117-I119 VanDerWaalsContact C-N 3.34Å; Y117-I119 PolarHBondContact O-N 3.43Å
118	N	95.7	Very high	93.5	Very high	49 Å²	49	27.7 Å²	27.7	26%	0.262	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	46.7	-173.9	-173.4	33.7	0	0	0	113.8	A114 T115 Y116 T140 N381 G382 T383	A114-N118 CarbonylContact O-C 3.57Å; A114-N118 WeakPolarHBondContact O-CA 3.29Å; A114-N118 PolarHBondContact O-N 3.21Å; T115-N118 PolarHBondContact O-N 3.06Å; T115-N118 VanDerWaalsContact O-N 3.1Å; Y116-N118 VanDerWaalsContact C-N 3.29Å; N118-T140 VanDerWaalsContact OD1-CG2 3.27Å; N118-T140 WeakPolarHBondContact OD1-CG2 3.29Å; N118-N381 VanDerWaalsContact ND2-CG 3.26Å; N118-N381 PolarHBondContact ND2-OD1 3.44Å; N118-G382 PolarHBondContact O-N 3.42Å; N118-T383 WeakPolarHBondContact OD1-CB 3.41Å; N118-T383 PolarHBondContact OD1-N 3.42Å; N118-T383 VanDerWaalsContact OD1-N 3.13Å; N118-T383 PolarHBondContact OD1-OG1 3.48Å
119	I	95.2	Very high	93.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.			trans	-108.8	139.5	179.1	-74.1	158	0	0	0	109.3	L90 A114 Y117 T140 R380	L90-I119 HydrophobicContact CD2-CB 4.28Å; L90-I119 HydrophobicContact CD2-CD1 3.36Å; L90-I119 HydrophobicContact CD2-CG1 4.41Å; L90-I119 HydrophobicContact CD2-CG2 4.11Å; A114-I119 WeakPolarHBondContact CB-O 3.26Å; A114-I119 PolarHBondContact O-N 2.73Å; Y117-I119 VanDerWaalsContact C-N 3.34Å; Y117-I119 PolarHBondContact O-N 3.43Å; I119-T140 WeakPolarHBondContact O-CB 3.39Å; I119-T140 PolarHBondContact O-OG1 3.1Å; I119-R380 HydrophobicContact CD1-CG 4.24Å; I119-R380 HydrophobicContact CG1-CG 3.69Å
120	P	95.3	Very high	92.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.			trans	-70	134.1	178.4	28.7	-32.5	0	0	0	111.2	D96 V97 I98 F122 T140 Y363 G382 I385 L386	D96-P120 WeakPolarHBondContact O-CD 3.46Å; V97-P120 HydrophobicContact CB-CG 3.98Å; V97-P120 HydrophobicContact CG2-CB 4.33Å; V97-P120 HydrophobicContact CG2-CG 3.95Å; I98-P120 PolarHBondContact N-O 3.38Å; P120-F122 HydrophobicContact CB-CE2 3.9Å; P120-T140 WeakPolarHBondContact CA-O 3.5Å; P120-Y363 HydrophobicContact CG-CE2 4.18Å; P120-G382 VanDerWaalsContact CD-CA 3.44Å; P120-I385 HydrophobicContact CG-CD1 3.97Å; P120-L386 HydrophobicContact CB-CD1 4.33Å
121	I	95.5	Very high	92.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.8	174.2	-171.7	166.7	0	0	0	110.3	I98 G100 A114 E123 T140 T141 L142	I98-I121 HydrophobicContact CB-CB 4.37Å; I98-I121 HydrophobicContact CB-CD1 4.27Å; I98-I121 HydrophobicContact CB-CG1 3.96Å; I98-I121 HydrophobicContact CG2-CD1 4.02Å; I98-I121 HydrophobicContact CG2-CG1 4.01Å; I98-I121 CarbonylContact O-C 3.6Å; I98-I121 VanDerWaalsContact O-CA 3.31Å; I98-I121 WeakPolarHBondContact O-CA 3.4Å; G100-I121 WeakPolarHBondContact O-CD1 3.38Å; G100-I121 WeakPolarHBondContact O-CG1 3.38Å; A114-I121 HydrophobicContact CB-CB 3.78Å; A114-I121 HydrophobicContact CB-CD1 4.28Å; A114-I121 HydrophobicContact CB-CG2 3.6Å; I121-E123 WeakPolarHBondContact CD1-OE1 3.48Å; I121-T140 PolarHBondContact N-O 2.92Å; I121-T141 HydrophobicContact CG2-CG2 4.1Å; I121-T141 WeakPolarHBondContact CG2-OG1 3.45Å; I121-T141 WeakPolarHBondContact O-CA 3.42Å; I121-L142 PolarHBondContact O-N 3.19Å
122	F	94.8	Very high	92	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.2	-178.3	-65.1	-94.2	0	0	0	109.9	V97 I98 F99 G100 P120 L142 F144 A359 Y363 L386 I389	V97-F122 HydrophobicContact CG2-CD2 3.74Å; V97-F122 HydrophobicContact CG2-CE2 3.75Å; I98-F122 PolarHBondContact O-N 2.87Å; F99-F122 CarbonylContact C-O 3Å; F99-F122 WeakPolarHBondContact CA-O 3.26Å; F99-F122 HydrophobicContact CD1-CB 3.51Å; F99-F122 HydrophobicContact CD1-CD2 4.3Å; F99-F122 HydrophobicContact CD1-CG 4.15Å; F99-F122 HydrophobicContact CE1-CB 3.6Å; F99-F122 AromaticContact CE1-CD2 3.7Å; F99-F122 HydrophobicContact CE1-CD2 3.7Å; F99-F122 AromaticContact CE1-CG 3.71Å; F99-F122 HydrophobicContact CE1-CG 3.71Å; F99-F122 HydrophobicContact CG-CB 4.38Å; F99-F122 AromaticContact CZ-CD2 3.88Å; F99-F122 HydrophobicContact CZ-CD2 3.88Å; F99-F122 HydrophobicContact CZ-CE2 4.4Å; F99-F122 HydrophobicContact CZ-CG 4.35Å; G100-F122 PolarHBondContact N-O 2.99Å; P120-F122 HydrophobicContact CB-CE2 3.9Å; F122-L142 WeakPolarHBondContact CA-O 3.28Å; F122-L142 HydrophobicContact CD1-CB 4.03Å; F122-L142 HydrophobicContact CD1-CD2 4.1Å; F122-L142 HydrophobicContact CD1-CG 4.47Å; F122-L142 HydrophobicContact CE1-CB 4.22Å; F122-L142 HydrophobicContact CE1-CD2 3.87Å; F122-F144 HydrophobicContact CD1-CD2 4.43Å; F122-F144 AromaticContact CD1-CE2 3.92Å; F122-F144 HydrophobicContact CD1-CE2 3.92Å; F122-F144 HydrophobicContact CE1-CE2 4.47Å; F122-A359 HydrophobicContact CB-CB 4.24Å; F122-Y363 AromaticContact CE2-CD2 3.56Å; F122-Y363 HydrophobicContact CE2-CD2 3.56Å; F122-Y363 HydrophobicContact CE2-CE2 4.48Å; F122-Y363 HydrophobicContact CE2-CG 4.07Å; F122-Y363 AromaticContact CZ-CD2 3.92Å; F122-Y363 HydrophobicContact CZ-CD2 3.92Å; F122-Y363 HydrophobicContact CZ-CG 4.37Å; F122-L386 HydrophobicContact CE1-CD1 4.26Å; F122-L386 HydrophobicContact CZ-CD1 3.82Å; F122-I389 HydrophobicContact CE1-CD1 3.97Å; F122-I389 HydrophobicContact CE1-CG1 4.43Å; F122-I389 HydrophobicContact CZ-CD1 4.18Å
123	E	93.6	Very high	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.2	-175.5	-55.8	-68.1	-176.1	0	0	109.8	P101 A107 S111 I121 T127 L132 T141 L142 P143 F144	P101-E123 WeakPolarHBondContact CD-OE2 3.39Å; A107-E123 HydrophobicContact CB-CG 4.3Å; S111-E123 PolarHBondContact OG-OE1 3.24Å; I121-E123 WeakPolarHBondContact CD1-OE1 3.48Å; E123-T127 HydrophobicContact CB-CG2 4.07Å; E123-L132 HydrophobicContact CG-CD1 4.39Å; E123-T141 HydrophobicContact CG-CG2 4.08Å; E123-L142 PolarHBondContact N-O 3.33Å; E123-P143 HydrophobicContact CB-CB 4.25Å; E123-F144 PolarHBondContact O-N 2.92Å
124	W	92	Very high	91.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.			trans	-143.3	160.1	-178.7	66.6	-78.2	0	0	0	110.4	F30 I41 T102 S145 Q355 L356	F30-W124 HydrophobicContact CD1-CH2 4.04Å; F30-W124 AromaticContact CD1-CZ2 3.6Å; F30-W124 HydrophobicContact CD1-CZ2 3.6Å; F30-W124 AromaticContact CE1-CH2 3.89Å; F30-W124 HydrophobicContact CE1-CH2 3.89Å; F30-W124 AromaticContact CE1-CZ2 3.4Å; F30-W124 HydrophobicContact CE1-CZ2 3.4Å; I41-W124 HydrophobicContact CG2-CZ3 4.33Å; T102-W124 VanDerWaalsContact CA-O 3.32Å; T102-W124 WeakPolarHBondContact CA-O 3.35Å; T102-W124 HydrophobicContact CG2-CD2 4Å; T102-W124 VanDerWaalsContact CG2-CE2 3.46Å; T102-W124 HydrophobicContact CG2-CE3 4.36Å; T102-W124 HydrophobicContact CG2-CH2 3.78Å; T102-W124 HydrophobicContact CG2-CZ2 3.32Å; T102-W124 HydrophobicContact CG2-CZ3 4.28Å; W124-S145 VanDerWaalsContact C-OG 3.26Å; W124-S145 WeakPolarHBondContact CA-OG 3.36Å; W124-Q355 HydrophobicContact CB-CB 4.04Å; W124-L356 HydrophobicContact CD2-CB 3.71Å; W124-L356 HydrophobicContact CD2-CD1 4.44Å; W124-L356 HydrophobicContact CD2-CG 4.48Å; W124-L356 HydrophobicContact CE3-CB 3.86Å; W124-L356 HydrophobicContact CG-CB 4.15Å; W124-L356 HydrophobicContact CG-CD1 4.48Å; W124-L356 HydrophobicContact CH2-CB 4.47Å; W124-L356 HydrophobicContact CH2-CD2 4.15Å; W124-L356 HydrophobicContact CZ2-CB 4.33Å; W124-L356 HydrophobicContact CZ2-CD2 3.8Å; W124-L356 HydrophobicContact CZ2-CG 4.46Å; W124-L356 HydrophobicContact CZ3-CB 4.23Å
125	G	88.7	Confident	90.7	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.021	18%	0.175	C	C	.	.	S	Bend	trans	91.1	-124.5	179.7	0	0	0	0	0	114.1	T127 S145	G125-T127 VanDerWaalsContact C-N 3.3Å; G125-T127 PolarHBondContact O-N 3.04Å; G125-S145 PolarHBondContact N-OG 2.97Å; G125-S145 WeakPolarHBondContact O-CB 3.38Å; G125-S145 PolarHBondContact O-OG 3.25Å; G125-S145 VanDerWaalsContact O-OG 3.04Å
126	L	86.6	Confident	90.4	Very high	29 Å²	29	44.4 Å²	44.4	15%	0.152	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-95.5	33.1	-171.8	-61.5	175.7	0	0	0	112.7	L37 I41 T102 S104 S128 N263 Y352	L37-L126 HydrophobicContact CD2-CD1 3.7Å; I41-L126 HydrophobicContact CD1-CD1 3.91Å; I41-L126 HydrophobicContact CD1-CG 4.28Å; I41-L126 HydrophobicContact CG1-CD1 4.31Å; I41-L126 HydrophobicContact CG2-CG 4.27Å; T102-L126 CarbonylContact O-C 3.46Å; T102-L126 WeakPolarHBondContact O-CA 3.47Å; T102-L126 WeakPolarHBondContact O-CB 3.49Å; T102-L126 PolarHBondContact O-N 3.29Å; S104-L126 PolarHBondContact OG-O 2.79Å; L126-S128 PolarHBondContact O-N 2.57Å; L126-S128 VanDerWaalsContact O-N 3.17Å; L126-N263 HydrophobicContact CD2-CB 3.72Å; L126-Y352 HydrophobicContact CD2-CD2 4.38Å; L126-Y352 HydrophobicContact CD2-CE2 3.48Å; L126-Y352 VanDerWaalsContact CD2-CE2 3.48Å; L126-Y352 HydrophobicContact CG-CE2 4.17Å
127	T	87.3	Confident	90.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	19%	0.194	C	C	.	.			trans	-87.5	74.9	177.6	59.6	0	0	0	0	110.5	P101 A107 E123 G125 S145	P101-T127 WeakPolarHBondContact O-CG2 3.44Å; A107-T127 HydrophobicContact CB-CG2 4.02Å; E123-T127 HydrophobicContact CB-CG2 4.07Å; G125-T127 VanDerWaalsContact C-N 3.3Å; G125-T127 PolarHBondContact O-N 3.04Å; T127-S145 VanDerWaalsContact OG1-CB 3.27Å; T127-S145 WeakPolarHBondContact OG1-CB 3.33Å; T127-S145 PolarHBondContact OG1-OG 3.47Å
128	S	83.8	Confident	90.2	Very high	14 Å²	14	38.1 Å²	38.1	10%	0.098	18%	0.18	C	C	.	.			trans	-86.2	-8.7	-173.5	58.5	0	0	0	0	114.9	S104 L126 R130 N147 S148	S104-S128 PolarHBondContact OG-N 3.31Å; S104-S128 PolarHBondContact OG-OG 3.33Å; L126-S128 PolarHBondContact O-N 2.57Å; L126-S128 VanDerWaalsContact O-N 3.17Å; S128-R130 PolarHBondContact O-N 3.5Å; S128-N147 CarbonylContact O-C 3.47Å; S128-N147 WeakPolarHBondContact O-CA 3.46Å; S128-N147 WeakPolarHBondContact O-CB 3.45Å; S128-S148 PolarHBondContact O-N 3.27Å; S128-S148 PolarHBondContact O-OG 2.77Å
129	T	86.5	Confident	90	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.098	18%	0.181	C	C	.	.			trans	-71.2	129.3	-174.7	-175.9	0	0	0	0	112.8	S104 L108 Q131 L132	S104-T129 PolarHBondContact OG-N 2.7Å; L108-T129 HydrophobicContact CD1-CG2 4.26Å; L108-T129 HydrophobicContact CD2-CG2 3.98Å; L108-T129 HydrophobicContact CG-CG2 4.05Å; T129-Q131 PolarHBondContact O-N 3.43Å; T129-Q131 PolarHBondContact OG1-N 2.74Å; T129-L132 HydrophobicContact CG2-CB 4.45Å; T129-L132 HydrophobicContact CG2-CD1 3.53Å; T129-L132 HydrophobicContact CG2-CG 3.67Å; T129-L132 PolarHBondContact O-N 2.96Å
130	R	86.4	Confident	89.9	Confident	86 Å²	86	37.8 Å²	37.8	33%	0.325	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-59.7	-27.3	174.1	-176.5	-169.4	-179.3	173.9	-0.7	113	S128 L132 T133 Y149 D186	S128-R130 PolarHBondContact O-N 3.5Å; R130-L132 PolarHBondContact O-N 2.9Å; R130-L132 VanDerWaalsContact O-N 3.12Å; R130-T133 PolarHBondContact O-N 3.27Å; R130-T133 PolarHBondContact O-OG1 3.34Å; R130-Y149 HydrophobicContact CG-CG 4.3Å; R130-Y149 VanDerWaalsContact CZ-CE2 3.4Å; R130-Y149 VanDerWaalsContact NH1-CE2 3.26Å; R130-D186 VanDerWaalsContact CD-OD1 3.29Å; R130-D186 WeakPolarHBondContact CD-OD1 3.49Å; R130-D186 IonicContact NH1-OD1 3.62Å; R130-D186 PolarHBondContact NH1-OD1 2.83Å
131	Q	87.5	Confident	89.8	Confident	94 Å²	94	38.3 Å²	38.3	44%	0.439	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-61	-27.3	-174.8	-67.4	-175.9	27.9	0	0	113	L108 T129 T133 D134 F138	L108-Q131 HydrophobicContact CD2-CB 3.67Å; T129-Q131 PolarHBondContact O-N 3.43Å; T129-Q131 PolarHBondContact OG1-N 2.74Å; Q131-T133 PolarHBondContact O-N 2.91Å; Q131-D134 WeakPolarHBondContact O-CB 3.44Å; Q131-D134 PolarHBondContact O-N 2.68Å; Q131-F138 VanDerWaalsContact O-CD2 3.31Å; Q131-F138 WeakPolarHBondContact O-CD2 3.32Å; Q131-F138 WeakPolarHBondContact O-CE2 3.47Å
132	L	88.8	Confident	89.7	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-71	-15.5	178.1	-68.5	167.3	0	0	0	113.4	A107 L108 S111 E123 T129 R130 D134 T141 P143	A107-L132 HydrophobicContact CB-CD1 3.78Å; A107-L132 HydrophobicContact CB-CD2 4.36Å; L108-L132 HydrophobicContact CD2-CD2 3.92Å; L108-L132 HydrophobicContact CD2-CG 3.98Å; L108-L132 HydrophobicContact CG-CD2 4.49Å; S111-L132 WeakPolarHBondContact OG-CD2 3.46Å; E123-L132 HydrophobicContact CG-CD1 4.39Å; T129-L132 HydrophobicContact CG2-CB 4.45Å; T129-L132 HydrophobicContact CG2-CD1 3.53Å; T129-L132 HydrophobicContact CG2-CG 3.67Å; T129-L132 PolarHBondContact O-N 2.96Å; R130-L132 PolarHBondContact O-N 2.9Å; R130-L132 VanDerWaalsContact O-N 3.12Å; L132-D134 VanDerWaalsContact C-N 3.35Å; L132-T141 HydrophobicContact CB-CG2 4.47Å; L132-T141 HydrophobicContact CD2-CG2 4.09Å; L132-P143 HydrophobicContact CB-CG 4.31Å
133	T	86.7	Confident	89.4	Confident	36 Å²	36	38.8 Å²	38.8	22%	0.221	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-90.6	2.5	175	64	0	0	0	0	113.3	R130 Q131 V135 P143 N147 A408	R130-T133 PolarHBondContact O-N 3.27Å; R130-T133 PolarHBondContact O-OG1 3.34Å; Q131-T133 PolarHBondContact O-N 2.91Å; T133-V135 PolarHBondContact O-N 2.68Å; T133-V135 VanDerWaalsContact O-N 3.08Å; T133-P143 HydrophobicContact CG2-CG 3.68Å; T133-N147 WeakPolarHBondContact CG2-ND2 3.18Å; T133-A408 HydrophobicContact CG2-CB 3.91Å
134	D	88.3	Confident	89.2	Confident	73 Å²	73	38.8 Å²	38.8	39%	0.39	19%	0.187	S	C	.	.			trans	-78.5	89.6	173.7	-174.9	-6.8	0	0	0	110	Q131 L132 K136 R137 F138	Q131-D134 WeakPolarHBondContact O-CB 3.44Å; Q131-D134 PolarHBondContact O-N 2.68Å; L132-D134 VanDerWaalsContact C-N 3.35Å; D134-K136 PolarHBondContact O-N 3.2Å; D134-K136 VanDerWaalsContact O-N 3.11Å; D134-K136 WeakPolarHBondContact OD1-CB 3.49Å; D134-K136 PolarHBondContact OD1-N 3.07Å; D134-K136 VanDerWaalsContact OD1-N 3.09Å; D134-R137 HydrophobicContact CB-CB 4.01Å; D134-R137 PolarHBondContact O-N 3.45Å; D134-R137 PolarHBondContact OD1-N 3.46Å; D134-F138 PolarHBondContact O-N 3.37Å
135	V	86.5	Confident	88.9	Confident	62 Å²	62	39 Å²	39	38%	0.376	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.5	-180	-176.4	0	0	0	0	112.3	T133 P139 D406	T133-V135 PolarHBondContact O-N 2.68Å; T133-V135 VanDerWaalsContact O-N 3.08Å; V135-P139 VanDerWaalsContact O-CA 3.28Å; V135-P139 WeakPolarHBondContact O-CA 3.37Å; V135-D406 WeakPolarHBondContact CG2-O 3.48Å
136	K	89	Confident	88.8	Confident	202 Å²	202	39 Å²	39	88%	0.878	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-35.3	176.3	-63.4	-178	179.3	177.9	0	111.6	D134	D134-K136 PolarHBondContact O-N 3.2Å; D134-K136 VanDerWaalsContact O-N 3.11Å; D134-K136 WeakPolarHBondContact OD1-CB 3.49Å; D134-K136 PolarHBondContact OD1-N 3.07Å; D134-K136 VanDerWaalsContact OD1-N 3.09Å
137	R	91.9	Very high	88.8	Confident	128 Å²	128	38.1 Å²	38.1	48%	0.483	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-38.4	178.8	-172.6	176.2	177.6	-165.2	-5	112.1	D134	D134-R137 HydrophobicContact CB-CB 4.01Å; D134-R137 PolarHBondContact O-N 3.45Å; D134-R137 PolarHBondContact OD1-N 3.46Å
138	F	92.9	Very high	88.9	Confident	5 Å²	5	38.2 Å²	38.2	2%	0.022	18%	0.184	C	C	.	.			trans	-129.3	69.6	-175.9	-54.8	-62.7	0	0	0	111.4	L108 A112 Q131 D134 T140 T141	L108-F138 HydrophobicContact CD2-CE2 4.1Å; L108-F138 HydrophobicContact CD2-CZ 4.24Å; A112-F138 HydrophobicContact CB-CE1 4.07Å; Q131-F138 VanDerWaalsContact O-CD2 3.31Å; Q131-F138 WeakPolarHBondContact O-CD2 3.32Å; Q131-F138 WeakPolarHBondContact O-CE2 3.47Å; D134-F138 PolarHBondContact O-N 3.37Å; F138-T140 PolarHBondContact O-N 3.35Å; F138-T140 VanDerWaalsContact O-N 3.1Å; F138-T141 PolarHBondContact O-N 3.27Å; F138-T141 VanDerWaalsContact O-N 3.16Å
139	P	92.1	Very high	89.1	Confident	43 Å²	43	38.8 Å²	38.8	28%	0.279	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.3	-176.4	28.7	-37.7	0	0	0	114.3	T115 V135 L386	T115-P139 HydrophobicContact CG2-CG 3.95Å; V135-P139 VanDerWaalsContact O-CA 3.28Å; V135-P139 WeakPolarHBondContact O-CA 3.37Å; P139-L386 WeakPolarHBondContact O-CD2 3.33Å
140	T	93.7	Very high	89.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	7.9	177.2	70.4	0	0	0	0	114.2	A114 T115 N118 I119 P120 I121 F138 L386	A114-T140 PolarHBondContact O-OG1 3.16Å; T115-T140 WeakPolarHBondContact CA-OG1 3.38Å; T115-T140 PolarHBondContact N-OG1 2.94Å; N118-T140 VanDerWaalsContact OD1-CG2 3.27Å; N118-T140 WeakPolarHBondContact OD1-CG2 3.29Å; I119-T140 WeakPolarHBondContact O-CB 3.39Å; I119-T140 PolarHBondContact O-OG1 3.1Å; P120-T140 WeakPolarHBondContact CA-O 3.5Å; I121-T140 PolarHBondContact N-O 2.92Å; F138-T140 PolarHBondContact O-N 3.35Å; F138-T140 VanDerWaalsContact O-N 3.1Å; T140-L386 VanDerWaalsContact O-CD2 3.26Å; T140-L386 WeakPolarHBondContact O-CD2 3.5Å
141	T	93.8	Very high	89.5	Confident	11 Å²	11	34.5 Å²	34.5	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.6	-177	-63.2	0	0	0	0	111.4	S111 I121 E123 L132 F138	S111-T141 WeakPolarHBondContact CB-OG1 3.4Å; S111-T141 WeakPolarHBondContact OG-CG2 3.45Å; S111-T141 PolarHBondContact OG-OG1 3.13Å; I121-T141 HydrophobicContact CG2-CG2 4.1Å; I121-T141 WeakPolarHBondContact CG2-OG1 3.45Å; I121-T141 WeakPolarHBondContact O-CA 3.42Å; E123-T141 HydrophobicContact CG-CG2 4.08Å; L132-T141 HydrophobicContact CB-CG2 4.47Å; L132-T141 HydrophobicContact CD2-CG2 4.09Å; F138-T141 PolarHBondContact O-N 3.27Å; F138-T141 VanDerWaalsContact O-N 3.16Å
142	L	91.8	Very high	89.8	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	111	171.6	-176.2	66.4	0	0	0	111.7	I121 F122 E123 F144 I389 V403 S407	I121-L142 PolarHBondContact O-N 3.19Å; F122-L142 WeakPolarHBondContact CA-O 3.28Å; F122-L142 HydrophobicContact CD1-CB 4.03Å; F122-L142 HydrophobicContact CD1-CD2 4.1Å; F122-L142 HydrophobicContact CD1-CG 4.47Å; F122-L142 HydrophobicContact CE1-CB 4.22Å; F122-L142 HydrophobicContact CE1-CD2 3.87Å; E123-L142 PolarHBondContact N-O 3.33Å; L142-F144 HydrophobicContact CD2-CD2 4.42Å; L142-F144 HydrophobicContact CD2-CE2 3.66Å; L142-F144 HydrophobicContact CD2-CZ 4.45Å; L142-F144 HydrophobicContact CG-CD2 4.38Å; L142-F144 HydrophobicContact CG-CE2 4.1Å; L142-I389 HydrophobicContact CD2-CG1 3.76Å; L142-I389 HydrophobicContact CD2-CG2 4.35Å; L142-V403 HydrophobicContact CD1-CG1 4.42Å; L142-V403 HydrophobicContact CD2-CG1 3.62Å; L142-S407 WeakPolarHBondContact CD1-O 3.38Å
143	P	90.1	Very high	89.9	Confident	5 Å²	5	30 Å²	30	3%	0.032	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130	173.7	31	-31.3	0	0	0	112.2	E123 L132 T133 A408	E123-P143 HydrophobicContact CB-CB 4.25Å; L132-P143 HydrophobicContact CB-CG 4.31Å; T133-P143 HydrophobicContact CG2-CG 3.68Å; P143-A408 HydrophobicContact CG-CB 4.13Å
144	F	89.2	Confident	90.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.			trans	-90.7	-13.6	171.5	-89.7	-112.2	0	0	0	112.9	F122 E123 L142 Q355 D358 A359 A362 V403 R409	F122-F144 HydrophobicContact CD1-CD2 4.43Å; F122-F144 AromaticContact CD1-CE2 3.92Å; F122-F144 HydrophobicContact CD1-CE2 3.92Å; F122-F144 HydrophobicContact CE1-CE2 4.47Å; E123-F144 PolarHBondContact O-N 2.92Å; L142-F144 HydrophobicContact CD2-CD2 4.42Å; L142-F144 HydrophobicContact CD2-CE2 3.66Å; L142-F144 HydrophobicContact CD2-CZ 4.45Å; L142-F144 HydrophobicContact CG-CD2 4.38Å; L142-F144 HydrophobicContact CG-CE2 4.1Å; F144-Q355 HydrophobicContact CB-CB 4.43Å; F144-D358 HydrophobicContact CD1-CB 4.26Å; F144-D358 HydrophobicContact CE1-CB 4.14Å; F144-A359 HydrophobicContact CD1-CB 4.03Å; F144-A359 HydrophobicContact CD2-CB 3.73Å; F144-A359 HydrophobicContact CE1-CB 4.16Å; F144-A359 HydrophobicContact CE2-CB 3.86Å; F144-A359 HydrophobicContact CG-CB 3.84Å; F144-A359 HydrophobicContact CZ-CB 4.09Å; F144-A362 HydrophobicContact CE1-CB 4.46Å; F144-A362 HydrophobicContact CZ-CB 3.76Å; F144-V403 HydrophobicContact CE1-CG2 4.23Å; F144-V403 HydrophobicContact CZ-CG2 3.9Å; F144-R409 PolarHBondContact O-NE 3.47Å; F144-R409 PolarHBondContact O-NH1 3.31Å; F144-R409 PolarHBondContact O-NH2 3.11Å
145	S	85.8	Confident	90.6	Very high	5 Å²	5	25 Å²	25	4%	0.035	12%	0.119	C	C	.	.	S	Bend	trans	-81.2	148.1	179	-42.8	0	0	0	0	112	W124 G125 T127 N147 Q355	W124-S145 VanDerWaalsContact C-OG 3.26Å; W124-S145 WeakPolarHBondContact CA-OG 3.36Å; G125-S145 PolarHBondContact N-OG 2.97Å; G125-S145 WeakPolarHBondContact O-CB 3.38Å; G125-S145 PolarHBondContact O-OG 3.25Å; G125-S145 VanDerWaalsContact O-OG 3.04Å; T127-S145 VanDerWaalsContact OG1-CB 3.27Å; T127-S145 WeakPolarHBondContact OG1-CB 3.33Å; T127-S145 PolarHBondContact OG1-OG 3.47Å; S145-N147 PolarHBondContact O-N 3.08Å; S145-Q355 PolarHBondContact OG-OE1 3.36Å
146	V	85.9	Confident	90.9	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-67.8	129.5	170.7	174.9	0	0	0	0	110.1	L151 D307 I413	V146-L151 HydrophobicContact CG1-CD2 4.21Å; V146-L151 HydrophobicContact CG1-CG 4.19Å; V146-D307 HydrophobicContact CB-CB 4.1Å; V146-D307 HydrophobicContact CG2-CB 3.72Å; V146-D307 VanDerWaalsContact CG2-OD2 3.28Å; V146-D307 WeakPolarHBondContact CG2-OD2 3.41Å; V146-I413 HydrophobicContact CG1-CD1 4.06Å; V146-I413 HydrophobicContact CG1-CG1 4.43Å
147	N	86.9	Confident	91.1	Very high	9 Å²	9	12.9 Å²	12.9	5%	0.048	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-93.8	165.5	178.9	65.4	34.7	0	0	0	113	S128 T133 S145 Y149 S150 L151	S128-N147 CarbonylContact O-C 3.47Å; S128-N147 WeakPolarHBondContact O-CA 3.46Å; S128-N147 WeakPolarHBondContact O-CB 3.45Å; T133-N147 WeakPolarHBondContact CG2-ND2 3.18Å; S145-N147 PolarHBondContact O-N 3.08Å; N147-Y149 PolarHBondContact O-N 3.43Å; N147-Y149 PolarHBondContact OD1-N 3.16Å; N147-S150 PolarHBondContact O-N 3.41Å; N147-S150 WeakPolarHBondContact OD1-CB 2.86Å; N147-S150 PolarHBondContact OD1-N 2.91Å; N147-S150 PolarHBondContact OD1-OG 2.79Å; N147-L151 PolarHBondContact O-N 3.22Å; N147-L151 VanDerWaalsContact O-N 3.15Å
148	S	88.9	Confident	91.2	Very high	4 Å²	4	6.8 Å²	6.8	3%	0.028	4%	0.04	C	C	.	.	H	α-helix	trans	-59.9	-32.3	179.1	47.2	0	0	0	0	113.1	S128 L151 A152 D186	S128-S148 PolarHBondContact O-N 3.27Å; S128-S148 PolarHBondContact O-OG 2.77Å; S148-L151 PolarHBondContact O-N 3.24Å; S148-A152 WeakPolarHBondContact O-CB 3.37Å; S148-A152 PolarHBondContact O-N 3.3Å; S148-D186 VanDerWaalsContact CB-OD2 3.23Å; S148-D186 WeakPolarHBondContact CB-OD2 3.35Å; S148-D186 PolarHBondContact OG-OD2 2.94Å
149	Y	89.3	Confident	91.3	Very high	27 Å²	27	6.7 Å²	6.7	11%	0.106	4%	0.04	C	C	.	.	H	α-helix	trans	-67.5	-40.2	176.2	-170.2	-104.8	0	0	0	112.5	R130 N147 A152 M153 D186 V190 N434	R130-Y149 HydrophobicContact CG-CG 4.3Å; R130-Y149 VanDerWaalsContact CZ-CE2 3.4Å; R130-Y149 VanDerWaalsContact NH1-CE2 3.26Å; N147-Y149 PolarHBondContact O-N 3.43Å; N147-Y149 PolarHBondContact OD1-N 3.16Å; Y149-A152 WeakPolarHBondContact O-CB 3.44Å; Y149-A152 PolarHBondContact O-N 3.19Å; Y149-M153 HydrophobicContact CD1-CG 4.17Å; Y149-M153 HydrophobicContact CE1-CG 3.89Å; Y149-M153 HydrophobicContact CE1-SD 4.35Å; Y149-M153 WeakPolarHBondContact O-CG 3.33Å; Y149-M153 PolarHBondContact O-N 3.11Å; Y149-D186 HydrophobicContact CD2-CB 4.29Å; Y149-D186 PolarHBondContact N-OD2 3.07Å; Y149-V190 HydrophobicContact CD2-CG2 3.95Å; Y149-V190 HydrophobicContact CE2-CG2 3.44Å; Y149-V190 VanDerWaalsContact CE2-CG2 3.44Å; Y149-N434 WeakPolarHBondContact CE1-O 3.28Å
150	S	89.8	Confident	91.4	Very high	10 Å²	10	9 Å²	9	7%	0.07	5%	0.045	C	C	.	.	H	α-helix	trans	-65.5	-40.9	175.8	-57.9	0	0	0	0	110.5	N147 A152 M153 A154 I432	N147-S150 PolarHBondContact O-N 3.41Å; N147-S150 WeakPolarHBondContact OD1-CB 2.86Å; N147-S150 PolarHBondContact OD1-N 2.91Å; N147-S150 PolarHBondContact OD1-OG 2.79Å; S150-A152 VanDerWaalsContact C-N 3.34Å; S150-A152 PolarHBondContact O-N 3.49Å; S150-M153 PolarHBondContact O-N 2.87Å; S150-A154 PolarHBondContact O-N 3.11Å; S150-I432 WeakPolarHBondContact O-CD1 3.27Å
151	L	91.2	Very high	91.4	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-41.4	170.6	-69.5	-180	0	0	0	112.1	V146 N147 S148 A154 I155 L183 A260 T262 I413	V146-L151 HydrophobicContact CG1-CD2 4.21Å; V146-L151 HydrophobicContact CG1-CG 4.19Å; N147-L151 PolarHBondContact O-N 3.22Å; N147-L151 VanDerWaalsContact O-N 3.15Å; S148-L151 PolarHBondContact O-N 3.24Å; L151-A154 WeakPolarHBondContact O-CB 3.42Å; L151-A154 PolarHBondContact O-N 3.16Å; L151-I155 WeakPolarHBondContact O-CG1 3.41Å; L151-I155 PolarHBondContact O-N 3.4Å; L151-L183 HydrophobicContact CB-CD1 3.76Å; L151-L183 HydrophobicContact CD1-CD1 4.44Å; L151-A260 HydrophobicContact CB-CB 4.12Å; L151-A260 HydrophobicContact CD1-CB 4.43Å; L151-A260 HydrophobicContact CD2-CB 4.16Å; L151-A260 HydrophobicContact CG-CB 4.48Å; L151-T262 HydrophobicContact CD1-CG2 3.52Å; L151-T262 HydrophobicContact CG-CG2 4.26Å; L151-I413 HydrophobicContact CD2-CD1 3.72Å; L151-I413 HydrophobicContact CG-CD1 4.47Å
152	A	92.9	Very high	91.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	6%	0.055	C	C	.	.	H	α-helix	trans	-63.7	-38.8	175.3	0	0	0	0	0	112.3	S148 Y149 S150 I155 L156 D186 V187 V190	S148-A152 WeakPolarHBondContact O-CB 3.37Å; S148-A152 PolarHBondContact O-N 3.3Å; Y149-A152 WeakPolarHBondContact O-CB 3.44Å; Y149-A152 PolarHBondContact O-N 3.19Å; S150-A152 VanDerWaalsContact C-N 3.34Å; S150-A152 PolarHBondContact O-N 3.49Å; A152-I155 WeakPolarHBondContact O-CB 2.87Å; A152-I155 PolarHBondContact O-N 3.26Å; A152-L156 PolarHBondContact O-N 3.27Å; A152-D186 HydrophobicContact CB-CB 4.01Å; A152-V187 HydrophobicContact CB-CG2 3.81Å; A152-V190 HydrophobicContact CB-CB 4.3Å; A152-V190 HydrophobicContact CB-CG2 3.77Å
153	M	91.9	Very high	91.5	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67.5	-33.8	172.5	-69.7	-60.9	-68.2	0	0	112.4	Y149 S150 L156 G157 V190 I432 Q435 V437	Y149-M153 HydrophobicContact CD1-CG 4.17Å; Y149-M153 HydrophobicContact CE1-CG 3.89Å; Y149-M153 HydrophobicContact CE1-SD 4.35Å; Y149-M153 WeakPolarHBondContact O-CG 3.33Å; Y149-M153 PolarHBondContact O-N 3.11Å; S150-M153 PolarHBondContact O-N 2.87Å; M153-L156 HydrophobicContact CE-CD2 3.72Å; M153-L156 WeakPolarHBondContact O-CB 3.48Å; M153-L156 PolarHBondContact O-N 3.38Å; M153-L156 HydrophobicContact SD-CD2 3.85Å; M153-G157 PolarHBondContact O-N 3.29Å; M153-V190 HydrophobicContact CG-CG2 4.33Å; M153-V190 HydrophobicContact SD-CG1 3.9Å; M153-V190 HydrophobicContact SD-CG2 3.84Å; M153-I432 HydrophobicContact CB-CG1 4.32Å; M153-I432 HydrophobicContact CB-CG2 4.12Å; M153-Q435 WeakPolarHBondContact CE-O 3.35Å; M153-V437 HydrophobicContact CE-CB 4.49Å; M153-V437 HydrophobicContact CE-CG1 4.39Å
154	A	93.4	Very high	91.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.9	-40.6	171.2	0	0	0	0	0	112.1	S150 L151 L156 G157 T158 L305 I413 L430 I432	S150-A154 PolarHBondContact O-N 3.11Å; L151-A154 WeakPolarHBondContact O-CB 3.42Å; L151-A154 PolarHBondContact O-N 3.16Å; A154-L156 VanDerWaalsContact C-N 3.31Å; A154-L156 PolarHBondContact O-N 3.36Å; A154-G157 PolarHBondContact O-N 3.17Å; A154-T158 WeakPolarHBondContact O-CB 3.42Å; A154-T158 PolarHBondContact O-N 3.17Å; A154-T158 PolarHBondContact O-OG1 2.92Å; A154-L305 HydrophobicContact CB-CD1 4.16Å; A154-I413 HydrophobicContact CB-CB 4.1Å; A154-I413 HydrophobicContact CB-CD1 3.53Å; A154-I413 HydrophobicContact CB-CG1 4.41Å; A154-I413 HydrophobicContact CB-CG2 3.83Å; A154-L430 HydrophobicContact CB-CB 4.43Å; A154-L430 HydrophobicContact CB-CD2 3.98Å; A154-L430 WeakPolarHBondContact O-CD2 3.48Å; A154-I432 HydrophobicContact CB-CD1 4.06Å
155	I	95	Very high	91.9	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-57.9	-49.1	172.8	-69	159.1	0	0	0	109	L151 A152 G157 T158 L159 L183 V187 V228 A260 L305	L151-I155 WeakPolarHBondContact O-CG1 3.41Å; L151-I155 PolarHBondContact O-N 3.4Å; A152-I155 WeakPolarHBondContact O-CB 2.87Å; A152-I155 PolarHBondContact O-N 3.26Å; I155-G157 PolarHBondContact O-N 2.97Å; I155-T158 WeakPolarHBondContact O-CB 3.42Å; I155-T158 PolarHBondContact O-N 3.49Å; I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 HydrophobicContact CG2-CG 4.25Å; I155-L159 VanDerWaalsContact O-CG 3.29Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 3.36Å; I155-L183 HydrophobicContact CD1-CD1 4.29Å; I155-V187 HydrophobicContact CD1-CG2 3.69Å; I155-V228 HydrophobicContact CD1-CG1 3.69Å; I155-V228 HydrophobicContact CG1-CG1 4.26Å; I155-V228 HydrophobicContact CG2-CG1 4.39Å; I155-V228 HydrophobicContact CG2-CG2 3.78Å; I155-A260 HydrophobicContact CD1-CB 3.81Å; I155-A260 HydrophobicContact CG1-CB 4.02Å; I155-L305 HydrophobicContact CB-CD1 4.41Å; I155-L305 HydrophobicContact CG1-CD1 3.78Å
156	L	92.9	Very high	92.2	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-53.3	-52.6	175.3	177	84.7	0	0	0	112.5	A152 M153 A154 T158 L159 K160 V190 H194 L197 V437	A152-L156 PolarHBondContact O-N 3.27Å; M153-L156 HydrophobicContact CE-CD2 3.72Å; M153-L156 WeakPolarHBondContact O-CB 3.48Å; M153-L156 PolarHBondContact O-N 3.38Å; M153-L156 HydrophobicContact SD-CD2 3.85Å; A154-L156 VanDerWaalsContact C-N 3.31Å; A154-L156 PolarHBondContact O-N 3.36Å; L156-T158 VanDerWaalsContact C-N 3.27Å; L156-T158 PolarHBondContact O-N 2.72Å; L156-L159 PolarHBondContact O-N 3.01Å; L156-K160 PolarHBondContact O-N 3.3Å; L156-V190 HydrophobicContact CB-CG1 3.8Å; L156-V190 HydrophobicContact CD1-CG1 3.86Å; L156-V190 HydrophobicContact CD2-CG1 3.98Å; L156-V190 HydrophobicContact CG-CG1 4.11Å; L156-H194 HydrophobicContact CD1-CB 4.12Å; L156-H194 VanDerWaalsContact CD2-CE1 3.44Å; L156-H194 WeakPolarHBondContact CD2-CE1 3.41Å; L156-H194 WeakPolarHBondContact CD2-NE2 3.41Å; L156-L197 HydrophobicContact CD1-CD1 3.06Å; L156-L197 HydrophobicContact CG-CD1 4.27Å; L156-V437 HydrophobicContact CD2-CG1 4.19Å
157	G	93.5	Very high	92.7	Very high	5 Å²	5	25 Å²	25	5%	0.052	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-39.4	179.9	0	0	0	0	0	112.3	M153 A154 I155 K160 Q161	M153-G157 PolarHBondContact O-N 3.29Å; A154-G157 PolarHBondContact O-N 3.17Å; I155-G157 PolarHBondContact O-N 2.97Å; G157-K160 PolarHBondContact O-N 3.34Å; G157-Q161 WeakPolarHBondContact O-CB 3.38Å; G157-Q161 PolarHBondContact O-N 3.2Å
158	T	95	Very high	93.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66	-46.9	176.1	-54.7	0	0	0	0	111.7	A154 I155 L156 K160 Q161 F162 W164 I258 L305 M415	A154-T158 WeakPolarHBondContact O-CB 3.42Å; A154-T158 PolarHBondContact O-N 3.17Å; A154-T158 PolarHBondContact O-OG1 2.92Å; I155-T158 WeakPolarHBondContact O-CB 3.42Å; I155-T158 PolarHBondContact O-N 3.49Å; L156-T158 VanDerWaalsContact C-N 3.27Å; L156-T158 PolarHBondContact O-N 2.72Å; T158-K160 VanDerWaalsContact C-N 3.31Å; T158-K160 PolarHBondContact O-N 3.14Å; T158-Q161 PolarHBondContact O-N 2.84Å; T158-F162 HydrophobicContact CG2-CD2 3.93Å; T158-F162 HydrophobicContact CG2-CE2 3.99Å; T158-F162 VanDerWaalsContact O-CD2 3.3Å; T158-F162 WeakPolarHBondContact O-CD2 3.21Å; T158-F162 PolarHBondContact O-N 2.88Å; T158-F162 VanDerWaalsContact O-N 3.14Å; T158-W164 HydrophobicContact CG2-CZ3 4.44Å; T158-I258 HydrophobicContact CG2-CD1 4.15Å; T158-L305 WeakPolarHBondContact OG1-CD2 3.3Å; T158-M415 HydrophobicContact CG2-SD 3.77Å
159	L	95.3	Very high	93.4	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-42	177.2	-66.4	176.8	0	0	0	111.3	I155 L156 F162 Q163 W164 F167 L197 I226 I258	I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 HydrophobicContact CG2-CG 4.25Å; I155-L159 VanDerWaalsContact O-CG 3.29Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 3.36Å; L156-L159 PolarHBondContact O-N 3.01Å; L159-F162 CarbonylContact O-C 3.59Å; L159-F162 PolarHBondContact O-N 3.43Å; L159-Q163 PolarHBondContact O-N 3.33Å; L159-W164 HydrophobicContact CD2-CB 4.05Å; L159-W164 HydrophobicContact CD2-CE3 3.86Å; L159-W164 PolarHBondContact O-N 2.9Å; L159-F167 HydrophobicContact CD1-CB 4.49Å; L159-F167 HydrophobicContact CD1-CD1 3.49Å; L159-F167 VanDerWaalsContact CD1-CD1 3.49Å; L159-F167 HydrophobicContact CD1-CD2 4.35Å; L159-F167 HydrophobicContact CD1-CE1 3.65Å; L159-F167 HydrophobicContact CD1-CE2 4.46Å; L159-F167 HydrophobicContact CD1-CG 3.86Å; L159-F167 HydrophobicContact CD1-CZ 4.14Å; L159-F167 HydrophobicContact CD2-CB 4.23Å; L159-F167 HydrophobicContact CD2-CG 4.43Å; L159-L197 HydrophobicContact CB-CD2 3.98Å; L159-L197 HydrophobicContact CD1-CD2 4.11Å; L159-I226 HydrophobicContact CD2-CG2 3.69Å; L159-I258 HydrophobicContact CD2-CD1 4.2Å
160	K	92.9	Very high	93.7	Very high	91 Å²	91	23.2 Å²	23.2	40%	0.396	12%	0.116	S	C	.	.	H	α-helix	trans	-65.5	-46	176.6	-76.9	-169.3	167.3	-166	0	112.5	L156 G157 T158 F162 Q163 E196	L156-K160 PolarHBondContact O-N 3.3Å; G157-K160 PolarHBondContact O-N 3.34Å; T158-K160 VanDerWaalsContact C-N 3.31Å; T158-K160 PolarHBondContact O-N 3.14Å; K160-F162 PolarHBondContact O-N 3.39Å; K160-Q163 PolarHBondContact O-N 3Å; K160-E196 IonicContact NZ-OE2 3.77Å
161	Q	94	Very high	93.9	Very high	60 Å²	60	23.7 Å²	23.7	28%	0.28	12%	0.116	S	C	.	.	H	α-helix	trans	-55.6	-42.7	177.9	-179.1	64.1	16.5	0	0	111.5	G157 T158 F439 Y443	G157-Q161 WeakPolarHBondContact O-CB 3.38Å; G157-Q161 PolarHBondContact O-N 3.2Å; T158-Q161 PolarHBondContact O-N 2.84Å; Q161-F439 HydrophobicContact CB-CD1 4.29Å; Q161-F439 HydrophobicContact CB-CD2 4.15Å; Q161-F439 HydrophobicContact CB-CE2 4.4Å; Q161-F439 HydrophobicContact CB-CG 4.12Å; Q161-F439 HydrophobicContact CG-CD1 3.68Å; Q161-F439 HydrophobicContact CG-CD2 4.27Å; Q161-F439 HydrophobicContact CG-CE1 3.63Å; Q161-F439 HydrophobicContact CG-CE2 4.24Å; Q161-F439 HydrophobicContact CG-CG 4.03Å; Q161-F439 HydrophobicContact CG-CZ 3.94Å; Q161-Y443 PolarHBondContact NE2-OH 3.32Å; Q161-Y443 VanDerWaalsContact NE2-OH 3.16Å
162	F	94.3	Very high	93.9	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	12.1	179.5	-63.3	-66.5	0	0	0	114.2	T158 L159 K160 W164 M415 Y443 E446 V450 W451 R456	T158-F162 HydrophobicContact CG2-CD2 3.93Å; T158-F162 HydrophobicContact CG2-CE2 3.99Å; T158-F162 VanDerWaalsContact O-CD2 3.3Å; T158-F162 WeakPolarHBondContact O-CD2 3.21Å; T158-F162 PolarHBondContact O-N 2.88Å; T158-F162 VanDerWaalsContact O-N 3.14Å; L159-F162 CarbonylContact O-C 3.59Å; L159-F162 PolarHBondContact O-N 3.43Å; K160-F162 PolarHBondContact O-N 3.39Å; F162-W164 HydrophobicContact CB-CD2 3.59Å; F162-W164 HydrophobicContact CB-CE3 3.68Å; F162-W164 HydrophobicContact CB-CG 4.25Å; F162-W164 HydrophobicContact CB-CH2 3.73Å; F162-W164 HydrophobicContact CB-CZ2 3.66Å; F162-W164 HydrophobicContact CB-CZ3 3.75Å; F162-W164 HydrophobicContact CD2-CE3 4.27Å; F162-W164 AromaticContact CD2-CH2 3.61Å; F162-W164 HydrophobicContact CD2-CH2 3.61Å; F162-W164 HydrophobicContact CD2-CZ2 4.35Å; F162-W164 AromaticContact CD2-CZ3 3.58Å; F162-W164 HydrophobicContact CD2-CZ3 3.58Å; F162-W164 HydrophobicContact CE2-CH2 4.35Å; F162-W164 HydrophobicContact CE2-CZ3 4.49Å; F162-W164 HydrophobicContact CG-CE3 4.38Å; F162-W164 AromaticContact CG-CH2 3.72Å; F162-W164 HydrophobicContact CG-CH2 3.72Å; F162-W164 AromaticContact CG-CZ2 3.99Å; F162-W164 HydrophobicContact CG-CZ2 3.99Å; F162-W164 AromaticContact CG-CZ3 3.95Å; F162-W164 HydrophobicContact CG-CZ3 3.95Å; F162-W164 PolarHBondContact O-N 3.3Å; F162-W164 VanDerWaalsContact O-N 3.16Å; F162-M415 HydrophobicContact CE2-CE 3.78Å; F162-M415 HydrophobicContact CE2-SD 3.81Å; F162-M415 HydrophobicContact CZ-CE 3.76Å; F162-M415 HydrophobicContact CZ-SD 4.39Å; F162-Y443 HydrophobicContact CZ-CE1 4.45Å; F162-E446 HydrophobicContact CE1-CG 4Å; F162-V450 HydrophobicContact CE1-CG1 4.33Å; F162-V450 HydrophobicContact CZ-CG1 4.13Å; F162-W451 HydrophobicContact CD1-CZ2 4.03Å; F162-W451 HydrophobicContact CE1-CZ2 4.03Å; F162-W451 HydrophobicContact CG-CZ2 4.49Å; F162-W451 HydrophobicContact CZ-CZ2 4.48Å; F162-R456 VanDerWaalsContact O-CD 3.25Å; F162-R456 WeakPolarHBondContact O-CD 3.38Å; F162-R456 PolarHBondContact O-NH1 2.96Å
163	Q	93.3	Very high	93.7	Very high	156 Å²	156	26.1 Å²	26.1	73%	0.729	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.2	177.8	-58.9	178.1	-32.4	0	0	113.5	L159 K160 T165	L159-Q163 PolarHBondContact O-N 3.33Å; K160-Q163 PolarHBondContact O-N 3Å; Q163-T165 PolarHBondContact O-N 3.14Å
164	W	94.7	Very high	93.3	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.015	15%	0.147	C	C	.	.			trans	-90.2	101.4	176.9	-66.8	-33	0	0	0	110.1	T158 L159 F162 L197 I226 V256 I258 L303 W451 R456 P457	T158-W164 HydrophobicContact CG2-CZ3 4.44Å; L159-W164 HydrophobicContact CD2-CB 4.05Å; L159-W164 HydrophobicContact CD2-CE3 3.86Å; L159-W164 PolarHBondContact O-N 2.9Å; F162-W164 HydrophobicContact CB-CD2 3.59Å; F162-W164 HydrophobicContact CB-CE3 3.68Å; F162-W164 HydrophobicContact CB-CG 4.25Å; F162-W164 HydrophobicContact CB-CH2 3.73Å; F162-W164 HydrophobicContact CB-CZ2 3.66Å; F162-W164 HydrophobicContact CB-CZ3 3.75Å; F162-W164 HydrophobicContact CD2-CE3 4.27Å; F162-W164 AromaticContact CD2-CH2 3.61Å; F162-W164 HydrophobicContact CD2-CH2 3.61Å; F162-W164 HydrophobicContact CD2-CZ2 4.35Å; F162-W164 AromaticContact CD2-CZ3 3.58Å; F162-W164 HydrophobicContact CD2-CZ3 3.58Å; F162-W164 HydrophobicContact CE2-CH2 4.35Å; F162-W164 HydrophobicContact CE2-CZ3 4.49Å; F162-W164 HydrophobicContact CG-CE3 4.38Å; F162-W164 AromaticContact CG-CH2 3.72Å; F162-W164 HydrophobicContact CG-CH2 3.72Å; F162-W164 AromaticContact CG-CZ2 3.99Å; F162-W164 HydrophobicContact CG-CZ2 3.99Å; F162-W164 AromaticContact CG-CZ3 3.95Å; F162-W164 HydrophobicContact CG-CZ3 3.95Å; F162-W164 PolarHBondContact O-N 3.3Å; F162-W164 VanDerWaalsContact O-N 3.16Å; W164-L197 WeakPolarHBondContact O-CD2 3.44Å; W164-I226 HydrophobicContact CB-CG1 4.06Å; W164-I226 HydrophobicContact CB-CG2 4.36Å; W164-I226 HydrophobicContact CD2-CD1 3.72Å; W164-I226 HydrophobicContact CD2-CG1 4Å; W164-I226 HydrophobicContact CD2-CG2 3.91Å; W164-I226 HydrophobicContact CE3-CD1 4.47Å; W164-I226 HydrophobicContact CE3-CG2 3.67Å; W164-I226 HydrophobicContact CG-CD1 3.76Å; W164-I226 HydrophobicContact CG-CG1 3.72Å; W164-I226 HydrophobicContact CG-CG2 4.24Å; W164-I226 HydrophobicContact CZ2-CD1 4.22Å; W164-I226 HydrophobicContact CZ3-CG2 4.29Å; W164-V256 HydrophobicContact CH2-CB 4.32Å; W164-V256 HydrophobicContact CH2-CG1 3.73Å; W164-V256 HydrophobicContact CH2-CG2 4.04Å; W164-V256 HydrophobicContact CZ2-CB 4.5Å; W164-V256 HydrophobicContact CZ2-CG1 3.85Å; W164-V256 HydrophobicContact CZ3-CG1 4.09Å; W164-I258 HydrophobicContact CE3-CD1 4.34Å; W164-I258 HydrophobicContact CZ3-CD1 3.88Å; W164-L303 HydrophobicContact CH2-CD1 4.48Å; W164-W451 AromaticContact CH2-CH2 3.63Å; W164-W451 HydrophobicContact CH2-CH2 3.63Å; W164-W451 AromaticContact CH2-CZ2 3.85Å; W164-W451 HydrophobicContact CH2-CZ2 3.85Å; W164-W451 AromaticContact CZ2-CH2 3.59Å; W164-W451 HydrophobicContact CZ2-CH2 3.59Å; W164-W451 AromaticContact CZ2-CZ2 3.62Å; W164-W451 HydrophobicContact CZ2-CZ2 3.62Å; W164-R456 HydrophobicContact CZ2-CG 4.12Å; W164-P457 PolarHBondContact NE1-O 3.28Å
165	T	92.6	Very high	92.5	Very high	85 Å²	85	31.8 Å²	31.8	52%	0.521	17%	0.171	S	C	.	.			trans	-82.6	-14.7	-177.3	58.5	0	0	0	0	113.8	Q163 S198	Q163-T165 PolarHBondContact O-N 3.14Å; T165-S198 PolarHBondContact O-N 2.88Å
166	E	92.9	Very high	91.6	Very high	54 Å²	54	32.7 Å²	32.7	25%	0.252	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.6	-175.4	-170	178.6	-171.6	0	0	110.4	S198 A200 A459	E166-S198 WeakPolarHBondContact CA-O 3.48Å; E166-A200 HydrophobicContact CG-CB 3.72Å; E166-A200 WeakPolarHBondContact OE1-CB 3.42Å; E166-A459 HydrophobicContact CB-CB 4.34Å
167	F	95.4	Very high	90.5	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.022	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164	-179.2	75.8	-77.8	0	0	0	113.2	L159 V187 A191 S198 L199 A200 I226 V228	L159-F167 HydrophobicContact CD1-CB 4.49Å; L159-F167 HydrophobicContact CD1-CD1 3.49Å; L159-F167 VanDerWaalsContact CD1-CD1 3.49Å; L159-F167 HydrophobicContact CD1-CD2 4.35Å; L159-F167 HydrophobicContact CD1-CE1 3.65Å; L159-F167 HydrophobicContact CD1-CE2 4.46Å; L159-F167 HydrophobicContact CD1-CG 3.86Å; L159-F167 HydrophobicContact CD1-CZ 4.14Å; L159-F167 HydrophobicContact CD2-CB 4.23Å; L159-F167 HydrophobicContact CD2-CG 4.43Å; F167-V187 HydrophobicContact CE2-CG1 3.83Å; F167-V187 HydrophobicContact CZ-CG1 3.89Å; F167-A191 HydrophobicContact CE1-CB 4.45Å; F167-A191 HydrophobicContact CZ-CB 4.32Å; F167-S198 PolarHBondContact N-O 2.9Å; F167-L199 HydrophobicContact CD2-CD1 4.09Å; F167-L199 HydrophobicContact CE1-CB 4.17Å; F167-L199 HydrophobicContact CE1-CD1 4.48Å; F167-L199 HydrophobicContact CE2-CD1 3.62Å; F167-L199 HydrophobicContact CZ-CB 4.08Å; F167-L199 HydrophobicContact CZ-CD1 3.84Å; F167-L199 HydrophobicContact CZ-CG 4.46Å; F167-A200 PolarHBondContact O-N 3.33Å; F167-I226 WeakPolarHBondContact CA-O 3.47Å; F167-I226 HydrophobicContact CB-CB 4.03Å; F167-I226 HydrophobicContact CB-CG2 4.09Å; F167-V228 HydrophobicContact CD2-CB 4.25Å; F167-V228 HydrophobicContact CD2-CG2 3.59Å; F167-V228 HydrophobicContact CE2-CB 4.5Å; F167-V228 HydrophobicContact CE2-CG2 4.01Å
168	V	95.8	Very high	89.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138	178	172	0	0	0	0	109.9	A200 Y201 I220 R223 I226 I227 V228	V168-A200 HydrophobicContact CG2-CB 4.47Å; V168-Y201 WeakPolarHBondContact CA-O 3.4Å; V168-Y201 HydrophobicContact CG1-CD1 4.37Å; V168-I220 HydrophobicContact CG1-CB 4.18Å; V168-I220 HydrophobicContact CG1-CG2 3.9Å; V168-R223 HydrophobicContact CG2-CB 4.38Å; V168-I226 PolarHBondContact N-O 2.91Å; V168-I227 WeakPolarHBondContact O-CA 3.32Å; V168-V228 PolarHBondContact O-N 3.35Å
169	F	95.5	Very high	89	Confident	1 Å²	1	42.7 Å²	42.7	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125	174.1	-168	-99.3	0	0	0	111	Y171 L183 K184 V187 L199 Y201 T202 F203 V228 C230	F169-Y171 HydrophobicContact CD1-CD1 4.05Å; F169-Y171 HydrophobicContact CD1-CG 4.48Å; F169-Y171 HydrophobicContact CE1-CD1 4.03Å; F169-Y171 HydrophobicContact CE1-CG 4.02Å; F169-L183 HydrophobicContact CE2-CD2 4.43Å; F169-L183 HydrophobicContact CE2-CG 4.29Å; F169-L183 HydrophobicContact CZ-CD2 4.39Å; F169-L183 HydrophobicContact CZ-CG 4.16Å; F169-K184 HydrophobicContact CD1-CB 4.3Å; F169-K184 HydrophobicContact CD1-CG 4.09Å; F169-K184 HydrophobicContact CE1-CB 3.58Å; F169-K184 HydrophobicContact CE1-CG 3.88Å; F169-K184 HydrophobicContact CZ-CB 4.22Å; F169-V187 HydrophobicContact CD2-CB 4.35Å; F169-V187 HydrophobicContact CD2-CG1 3.96Å; F169-V187 HydrophobicContact CD2-CG2 4.34Å; F169-V187 HydrophobicContact CE2-CB 4.28Å; F169-V187 HydrophobicContact CE2-CG1 4.37Å; F169-V187 HydrophobicContact CE2-CG2 3.95Å; F169-L199 HydrophobicContact CB-CD1 3.75Å; F169-Y201 PolarHBondContact N-O 2.99Å; F169-T202 HydrophobicContact CD1-CG2 4.15Å; F169-T202 CarbonylContact O-C 3.55Å; F169-T202 VanDerWaalsContact O-CA 3.27Å; F169-T202 WeakPolarHBondContact O-CA 3.36Å; F169-F203 PolarHBondContact O-N 3.45Å; F169-V228 CarbonylContact C-O 3.47Å; F169-V228 WeakPolarHBondContact CA-O 3.38Å; F169-V228 HydrophobicContact CD2-CB 3.89Å; F169-V228 HydrophobicContact CD2-CG1 3.58Å; F169-V228 HydrophobicContact CE2-CB 4.49Å; F169-V228 HydrophobicContact CE2-CG1 3.7Å; F169-C230 HydrophobicContact CZ-CB 4.28Å
170	L	95	Very high	88.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.5	-178.9	178.4	66.3	0	0	0	109	F203 I205 A216 I217 I220 I227 V228 A229 C230 L241	L170-F203 WeakPolarHBondContact CA-O 3.39Å; L170-F203 HydrophobicContact CD1-CB 4.04Å; L170-F203 HydrophobicContact CD1-CD1 3.75Å; L170-F203 HydrophobicContact CD1-CG 4.36Å; L170-I205 HydrophobicContact CD1-CD1 3.9Å; L170-I205 HydrophobicContact CD1-CG1 3.55Å; L170-I205 HydrophobicContact CD2-CD1 4.04Å; L170-I205 HydrophobicContact CG-CD1 3.89Å; L170-I205 HydrophobicContact CG-CG1 4.08Å; L170-A216 HydrophobicContact CD1-CB 3.97Å; L170-I217 HydrophobicContact CD2-CD1 4.26Å; L170-I220 HydrophobicContact CD1-CG2 4.31Å; L170-I220 HydrophobicContact CD2-CD1 4.12Å; L170-I227 HydrophobicContact CB-CG2 4.26Å; L170-V228 PolarHBondContact N-O 2.83Å; L170-A229 HydrophobicContact CB-CB 4.43Å; L170-A229 CarbonylContact O-C 3.55Å; L170-A229 WeakPolarHBondContact O-CA 3.17Å; L170-C230 PolarHBondContact O-N 2.91Å; L170-L241 HydrophobicContact CD2-CD1 4Å; L170-L241 HydrophobicContact CD2-CD2 4.42Å
171	Y	94	Very high	88.4	Confident	20 Å²	20	41.2 Å²	41.2	8%	0.078	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.5	-178.4	74.1	-71.8	0	0	0	113.9	F169 N173 K184 T202 F203 R204 I205 C230	F169-Y171 HydrophobicContact CD1-CD1 4.05Å; F169-Y171 HydrophobicContact CD1-CG 4.48Å; F169-Y171 HydrophobicContact CE1-CD1 4.03Å; F169-Y171 HydrophobicContact CE1-CG 4.02Å; Y171-N173 VanDerWaalsContact CD2-OD1 3.26Å; Y171-N173 WeakPolarHBondContact CD2-OD1 3.37Å; Y171-N173 WeakPolarHBondContact CE2-OD1 3.23Å; Y171-K184 HydrophobicContact CD1-CD 4.11Å; Y171-K184 HydrophobicContact CE1-CD 3.56Å; Y171-K184 HydrophobicContact CE1-CG 4.49Å; Y171-K184 HydrophobicContact CE2-CD 4.02Å; Y171-T202 HydrophobicContact CD1-CG2 4.19Å; Y171-T202 HydrophobicContact CE1-CG2 3.83Å; Y171-F203 VanDerWaalsContact CD1-O 3.23Å; Y171-F203 WeakPolarHBondContact CD1-O 3.14Å; Y171-F203 PolarHBondContact N-O 2.92Å; Y171-R204 HydrophobicContact CD1-CB 4.37Å; Y171-R204 HydrophobicContact CD2-CG 4.31Å; Y171-R204 HydrophobicContact CE1-CB 3.65Å; Y171-R204 HydrophobicContact CE1-CG 4.11Å; Y171-R204 HydrophobicContact CE2-CB 4.2Å; Y171-R204 HydrophobicContact CE2-CG 3.72Å; Y171-R204 CarbonylContact O-C 3.59Å; Y171-R204 WeakPolarHBondContact O-CA 3.47Å; Y171-I205 PolarHBondContact O-N 3.39Å; Y171-C230 CarbonylContact C-O 3.57Å; Y171-C230 WeakPolarHBondContact CA-O 3.41Å
172	C	91.8	Very high	88.1	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.6	176	-168.5	0	0	0	0	110.5	I205 C230 V231	C172-I205 HydrophobicContact CB-CB 3.94Å; C172-I205 HydrophobicContact CB-CD1 4.34Å; C172-I205 HydrophobicContact CB-CG1 4.46Å; C172-C230 PolarHBondContact N-O 3.49Å; C172-V231 HydrophobicContact CB-CG1 3.95Å
173	N	87.9	Confident	88	Confident	53 Å²	53	39.7 Å²	39.7	28%	0.283	22%	0.215	S	C	.	.			trans	-92.5	-10.1	178.1	-65.9	-4.2	0	0	0	112.8	Y171 G175 D176 E181	Y171-N173 VanDerWaalsContact CD2-OD1 3.26Å; Y171-N173 WeakPolarHBondContact CD2-OD1 3.37Å; Y171-N173 WeakPolarHBondContact CE2-OD1 3.23Å; N173-G175 PolarHBondContact O-N 2.84Å; N173-D176 PolarHBondContact O-N 2.72Å; N173-E181 PolarHBondContact ND2-OE2 3.45Å
174	D	84.4	Confident	87.9	Confident	70 Å²	70	33.5 Å²	33.5	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	124.3	176.1	-176.8	14.6	0	0	0	108.4	D176 S207 K208	D174-D176 PolarHBondContact O-N 3.24Å; D174-D176 VanDerWaalsContact O-N 3.17Å; D174-S207 WeakPolarHBondContact OD2-CA 3.46Å; D174-K208 HydrophobicContact CB-CG 4.12Å; D174-K208 WeakPolarHBondContact O-CE 3.37Å; D174-K208 WeakPolarHBondContact OD2-CG 3.48Å; D174-K208 PolarHBondContact OD2-N 3.3Å
175	G	76.7	Confident	87.8	Confident	50 Å²	50	36.8 Å²	36.8	52%	0.515	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	29.5	-174.2	0	0	0	0	0	116	N173 A232	N173-G175 PolarHBondContact O-N 2.84Å; G175-A232 WeakPolarHBondContact O-CB 3.46Å
176	D	77.1	Confident	87.7	Confident	21 Å²	21	33.4 Å²	33.4	11%	0.112	18%	0.183	C	C	.	.			trans	-114.6	119.3	173.9	-174.5	79.1	0	0	0	110.1	N173 D174 E178 K179 C180 A232	N173-D176 PolarHBondContact O-N 2.72Å; D174-D176 PolarHBondContact O-N 3.24Å; D174-D176 VanDerWaalsContact O-N 3.17Å; D176-E178 VanDerWaalsContact C-N 3.29Å; D176-E178 PolarHBondContact O-N 3.23Å; D176-K179 WeakPolarHBondContact OD1-CB 3.34Å; D176-K179 WeakPolarHBondContact OD1-CE 3.47Å; D176-K179 IonicContact OD1-NZ 3.66Å; D176-K179 PolarHBondContact OD2-N 2.67Å; D176-C180 WeakPolarHBondContact OD2-CB 3.28Å; D176-C180 PolarHBondContact OD2-N 2.85Å; D176-A232 HydrophobicContact CB-CB 4.23Å
177	D	68.4	Low	87.8	Confident	130 Å²	130	31 Å²	31	70%	0.695	17%	0.172	S	C	*	.			trans	-85.4	65.7	-177.6	-64.6	-40.8	0	0	0	111.1	K179	D177-K179 VanDerWaalsContact C-N 3.34Å; D177-K179 PolarHBondContact O-N 3.27Å
178	E	73.7	Confident	87.7	Confident	71 Å²	71	34.2 Å²	34.2	33%	0.332	19%	0.187	S	C	.	.	S	Bend	trans	75.4	-4.9	175.4	-51	-173.4	141.1	0	0	118.2	R105 D176 C180 S182	R105-E178 VanDerWaalsContact CG-OE2 3.29Å; R105-E178 WeakPolarHBondContact CG-OE2 3.45Å; R105-E178 VanDerWaalsContact CZ-CD 3.47Å; R105-E178 IonicContact CZ-OE1 3.45Å; R105-E178 IonicContact CZ-OE2 2.76Å; R105-E178 IonicContact NE-OE1 2.8Å; R105-E178 PolarHBondContact NE-OE1 3.02Å; R105-E178 IonicContact NE-OE2 2.77Å; R105-E178 PolarHBondContact NE-OE2 2.85Å; R105-E178 IonicContact NH2-OE1 3.25Å; R105-E178 PolarHBondContact NH2-OE1 3.45Å; D176-E178 VanDerWaalsContact C-N 3.29Å; D176-E178 PolarHBondContact O-N 3.23Å; E178-C180 PolarHBondContact O-N 2.82Å; E178-S182 VanDerWaalsContact O-CB 3.32Å; E178-S182 WeakPolarHBondContact O-CB 3.31Å; E178-S182 PolarHBondContact O-N 2.7Å; E178-S182 PolarHBondContact O-OG 3.07Å
179	K	83.1	Confident	87.5	Confident	20 Å²	20	37.1 Å²	37.1	9%	0.087	21%	0.205	C	C	.	.	H	α-helix	trans	-58.1	-51	-179.1	178.3	-167.7	65	168.2	0	111.3	D176 D177 L183 V231 S233 E261	D176-K179 WeakPolarHBondContact OD1-CB 3.34Å; D176-K179 WeakPolarHBondContact OD1-CE 3.47Å; D176-K179 IonicContact OD1-NZ 3.66Å; D176-K179 PolarHBondContact OD2-N 2.67Å; D177-K179 VanDerWaalsContact C-N 3.34Å; D177-K179 PolarHBondContact O-N 3.27Å; K179-L183 VanDerWaalsContact O-CB 3.31Å; K179-L183 WeakPolarHBondContact O-CB 3.48Å; K179-L183 PolarHBondContact O-N 3.11Å; K179-V231 PolarHBondContact NZ-O 3.35Å; K179-S233 PolarHBondContact NZ-OG 2.79Å; K179-E261 IonicContact NZ-OE1 2.65Å; K179-E261 PolarHBondContact NZ-OE1 3.06Å; K179-E261 IonicContact NZ-OE2 2.9Å; K179-E261 PolarHBondContact NZ-OE2 3.22Å
180	C	89.1	Confident	87.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-75.7	-32.8	-173.9	-68.1	0	0	0	0	113.4	D176 E178 K184 C230	D176-C180 WeakPolarHBondContact OD2-CB 3.28Å; D176-C180 PolarHBondContact OD2-N 2.85Å; E178-C180 PolarHBondContact O-N 2.82Å; C180-K184 WeakPolarHBondContact O-CB 3.4Å; C180-K184 PolarHBondContact O-N 3.35Å; C180-C230 WeakPolarHBondContact CA-SG 3.49Å; C180-C230 HydrophobicContact CB-CB 3.76Å; C180-C230 WeakPolarHBondContact CB-SG 3.17Å; C180-C230 WeakPolarHBondContact SG-CB 3.43Å; C180-C230 PolarHBondContact SG-O 3.01Å; C180-C230 VanDerWaalsContact SG-O 3.39Å; C180-C230 CovalentContact SG-SG 2.05Å; C180-C230 PolarHBondContact SG-SG 3.25Å
181	E	87	Confident	87.1	Confident	62 Å²	62	37.8 Å²	37.8	29%	0.29	21%	0.211	S	C	.	.	H	α-helix	trans	-67.5	-45	173.2	-164.3	69	-140.5	0	0	110.5	N173 L183 K184 D185	N173-E181 PolarHBondContact ND2-OE2 3.45Å; E181-L183 PolarHBondContact O-N 3.11Å; E181-K184 WeakPolarHBondContact O-CB 3.17Å; E181-K184 PolarHBondContact O-N 2.96Å; E181-K184 IonicContact OE1-NZ 3.84Å; E181-K184 PolarHBondContact OE1-NZ 2.7Å; E181-D185 PolarHBondContact O-N 2.96Å
182	S	87.9	Confident	87	Confident	28 Å²	28	41.5 Å²	41.5	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-43.5	176.9	-55.4	0	0	0	0	111.8	E178 K184 D185 D186	E178-S182 VanDerWaalsContact O-CB 3.32Å; E178-S182 WeakPolarHBondContact O-CB 3.31Å; E178-S182 PolarHBondContact O-N 2.7Å; E178-S182 PolarHBondContact O-OG 3.07Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 3.18Å; S182-D185 PolarHBondContact O-N 3.12Å; S182-D186 PolarHBondContact O-N 3.46Å; S182-D186 VanDerWaalsContact O-N 3.11Å
183	L	91	Very high	86.9	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-37.3	176.4	-175.9	62.5	0	0	0	112	L151 I155 F169 K179 E181 D186 V187 C230 A260	L151-L183 HydrophobicContact CB-CD1 3.76Å; L151-L183 HydrophobicContact CD1-CD1 4.44Å; I155-L183 HydrophobicContact CD1-CD1 4.29Å; F169-L183 HydrophobicContact CE2-CD2 4.43Å; F169-L183 HydrophobicContact CE2-CG 4.29Å; F169-L183 HydrophobicContact CZ-CD2 4.39Å; F169-L183 HydrophobicContact CZ-CG 4.16Å; K179-L183 VanDerWaalsContact O-CB 3.31Å; K179-L183 WeakPolarHBondContact O-CB 3.48Å; K179-L183 PolarHBondContact O-N 3.11Å; E181-L183 PolarHBondContact O-N 3.11Å; L183-D186 PolarHBondContact O-N 3.48Å; L183-V187 HydrophobicContact CD1-CG2 3.96Å; L183-V187 HydrophobicContact CG-CG2 4.15Å; L183-V187 WeakPolarHBondContact O-CB 3.44Å; L183-V187 WeakPolarHBondContact O-CG2 3.14Å; L183-V187 PolarHBondContact O-N 3.36Å; L183-C230 HydrophobicContact CD2-CB 4.12Å; L183-A260 HydrophobicContact CD2-CB 4.29Å
184	K	92.3	Very high	86.9	Confident	26 Å²	26	44.4 Å²	44.4	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-56.3	-51.9	174.9	-177.6	-175	117.8	-86.4	0	111	F169 Y171 C180 E181 S182 D186 V187 Q188 T202	F169-K184 HydrophobicContact CD1-CB 4.3Å; F169-K184 HydrophobicContact CD1-CG 4.09Å; F169-K184 HydrophobicContact CE1-CB 3.58Å; F169-K184 HydrophobicContact CE1-CG 3.88Å; F169-K184 HydrophobicContact CZ-CB 4.22Å; Y171-K184 HydrophobicContact CD1-CD 4.11Å; Y171-K184 HydrophobicContact CE1-CD 3.56Å; Y171-K184 HydrophobicContact CE1-CG 4.49Å; Y171-K184 HydrophobicContact CE2-CD 4.02Å; C180-K184 WeakPolarHBondContact O-CB 3.4Å; C180-K184 PolarHBondContact O-N 3.35Å; E181-K184 WeakPolarHBondContact O-CB 3.17Å; E181-K184 PolarHBondContact O-N 2.96Å; E181-K184 IonicContact OE1-NZ 3.84Å; E181-K184 PolarHBondContact OE1-NZ 2.7Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 3.18Å; K184-D186 VanDerWaalsContact C-N 3.35Å; K184-D186 PolarHBondContact O-N 2.87Å; K184-V187 PolarHBondContact O-N 2.96Å; K184-Q188 WeakPolarHBondContact O-CB 3.38Å; K184-Q188 VanDerWaalsContact O-CG 3.31Å; K184-Q188 WeakPolarHBondContact O-CG 3.41Å; K184-Q188 PolarHBondContact O-N 2.83Å; K184-T202 HydrophobicContact CD-CG2 4Å; K184-T202 HydrophobicContact CG-CG2 4.2Å
185	D	91.9	Very high	86.9	Confident	74 Å²	74	50.7 Å²	50.7	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-38.3	-174.7	-68.1	-8.7	0	0	0	111.3	E181 S182 Q188 T189	E181-D185 PolarHBondContact O-N 2.96Å; S182-D185 PolarHBondContact O-N 3.12Å; D185-Q188 PolarHBondContact O-N 2.84Å; D185-T189 WeakPolarHBondContact O-CB 3.31Å; D185-T189 PolarHBondContact O-N 2.82Å; D185-T189 PolarHBondContact O-OG1 3.45Å
186	D	91.8	Very high	87.3	Confident	14 Å²	14	54.8 Å²	54.8	8%	0.075	30%	0.296	C	S	.	.	H	α-helix	trans	-71.5	-38.7	175.8	-80.7	-35.9	0	0	0	112.8	R130 S148 Y149 A152 S182 L183 K184 Q188 T189 V190	R130-D186 VanDerWaalsContact CD-OD1 3.29Å; R130-D186 WeakPolarHBondContact CD-OD1 3.49Å; R130-D186 IonicContact NH1-OD1 3.62Å; R130-D186 PolarHBondContact NH1-OD1 2.83Å; S148-D186 VanDerWaalsContact CB-OD2 3.23Å; S148-D186 WeakPolarHBondContact CB-OD2 3.35Å; S148-D186 PolarHBondContact OG-OD2 2.94Å; Y149-D186 HydrophobicContact CD2-CB 4.29Å; Y149-D186 PolarHBondContact N-OD2 3.07Å; A152-D186 HydrophobicContact CB-CB 4.01Å; S182-D186 PolarHBondContact O-N 3.46Å; S182-D186 VanDerWaalsContact O-N 3.11Å; L183-D186 PolarHBondContact O-N 3.48Å; K184-D186 VanDerWaalsContact C-N 3.35Å; K184-D186 PolarHBondContact O-N 2.87Å; D186-Q188 VanDerWaalsContact C-N 3.34Å; D186-Q188 PolarHBondContact O-N 2.86Å; D186-T189 PolarHBondContact O-N 3.09Å; D186-V190 WeakPolarHBondContact O-CB 3.36Å; D186-V190 WeakPolarHBondContact O-CG2 3.43Å; D186-V190 PolarHBondContact O-N 3.45Å
187	V	93.4	Very high	87.8	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-41.1	173.1	168.1	0	0	0	0	111	A152 I155 F167 F169 L183 K184 T189 V190 A191	A152-V187 HydrophobicContact CB-CG2 3.81Å; I155-V187 HydrophobicContact CD1-CG2 3.69Å; F167-V187 HydrophobicContact CE2-CG1 3.83Å; F167-V187 HydrophobicContact CZ-CG1 3.89Å; F169-V187 HydrophobicContact CD2-CB 4.35Å; F169-V187 HydrophobicContact CD2-CG1 3.96Å; F169-V187 HydrophobicContact CD2-CG2 4.34Å; F169-V187 HydrophobicContact CE2-CB 4.28Å; F169-V187 HydrophobicContact CE2-CG1 4.37Å; F169-V187 HydrophobicContact CE2-CG2 3.95Å; L183-V187 HydrophobicContact CD1-CG2 3.96Å; L183-V187 HydrophobicContact CG-CG2 4.15Å; L183-V187 WeakPolarHBondContact O-CB 3.44Å; L183-V187 WeakPolarHBondContact O-CG2 3.14Å; L183-V187 PolarHBondContact O-N 3.36Å; K184-V187 PolarHBondContact O-N 2.96Å; V187-T189 VanDerWaalsContact C-N 3.34Å; V187-V190 PolarHBondContact O-N 2.92Å; V187-A191 VanDerWaalsContact O-CB 3.22Å; V187-A191 WeakPolarHBondContact O-CB 3.2Å; V187-A191 PolarHBondContact O-N 3.09Å
188	Q	93.5	Very high	88.9	Confident	71 Å²	71	51.4 Å²	51.4	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-40.2	173.7	-74.9	-179.8	-17.3	0	0	111.9	K184 D185 D186 S192 L199	K184-Q188 WeakPolarHBondContact O-CB 3.38Å; K184-Q188 VanDerWaalsContact O-CG 3.31Å; K184-Q188 WeakPolarHBondContact O-CG 3.41Å; K184-Q188 PolarHBondContact O-N 2.83Å; D185-Q188 PolarHBondContact O-N 2.84Å; D186-Q188 VanDerWaalsContact C-N 3.34Å; D186-Q188 PolarHBondContact O-N 2.86Å; Q188-S192 WeakPolarHBondContact O-CB 3.45Å; Q188-S192 PolarHBondContact O-N 3.27Å; Q188-S192 PolarHBondContact O-OG 2.98Å; Q188-L199 HydrophobicContact CG-CD2 3.63Å
189	T	91.8	Very high	89.9	Confident	61 Å²	61	50 Å²	50	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-45.5	177.1	-58.6	0	0	0	0	111.3	D185 D186 V187 S192 A193	D185-T189 WeakPolarHBondContact O-CB 3.31Å; D185-T189 PolarHBondContact O-N 2.82Å; D185-T189 PolarHBondContact O-OG1 3.45Å; D186-T189 PolarHBondContact O-N 3.09Å; V187-T189 VanDerWaalsContact C-N 3.34Å; T189-S192 PolarHBondContact O-N 3.17Å; T189-S192 PolarHBondContact O-OG 3.05Å; T189-A193 PolarHBondContact O-N 3.38Å
190	V	91.4	Very high	90.3	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-42.1	178.6	171.5	0	0	0	0	111.5	Y149 A152 M153 L156 D186 V187 A193 H194	Y149-V190 HydrophobicContact CD2-CG2 3.95Å; Y149-V190 HydrophobicContact CE2-CG2 3.44Å; Y149-V190 VanDerWaalsContact CE2-CG2 3.44Å; A152-V190 HydrophobicContact CB-CB 4.3Å; A152-V190 HydrophobicContact CB-CG2 3.77Å; M153-V190 HydrophobicContact CG-CG2 4.33Å; M153-V190 HydrophobicContact SD-CG1 3.9Å; M153-V190 HydrophobicContact SD-CG2 3.84Å; L156-V190 HydrophobicContact CB-CG1 3.8Å; L156-V190 HydrophobicContact CD1-CG1 3.86Å; L156-V190 HydrophobicContact CD2-CG1 3.98Å; L156-V190 HydrophobicContact CG-CG1 4.11Å; D186-V190 WeakPolarHBondContact O-CB 3.36Å; D186-V190 WeakPolarHBondContact O-CG2 3.43Å; D186-V190 PolarHBondContact O-N 3.45Å; V187-V190 PolarHBondContact O-N 2.92Å; V190-A193 PolarHBondContact O-N 2.93Å; V190-H194 PolarHBondContact O-N 3.33Å; V190-H194 PolarHBondContact O-ND1 3.19Å
191	A	91.9	Very high	90.4	Very high	13 Å²	13	53.9 Å²	53.9	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-38.8	177.2	0	0	0	0	0	112.3	F167 V187 A193 H194 L199	F167-A191 HydrophobicContact CE1-CB 4.45Å; F167-A191 HydrophobicContact CZ-CB 4.32Å; V187-A191 VanDerWaalsContact O-CB 3.22Å; V187-A191 WeakPolarHBondContact O-CB 3.2Å; V187-A191 PolarHBondContact O-N 3.09Å; A191-A193 VanDerWaalsContact C-N 3.31Å; A191-A193 PolarHBondContact O-N 3.26Å; A191-H194 PolarHBondContact O-N 2.91Å; A191-L199 HydrophobicContact CB-CB 4.08Å
192	S	90.9	Very high	90.8	Very high	98 Å²	98	52.8 Å²	52.8	69%	0.685	30%	0.297	S	S	*	.	H	α-helix	trans	-72.2	-23.1	177.8	58.7	0	0	0	0	113.8	Q188 T189	Q188-S192 WeakPolarHBondContact O-CB 3.45Å; Q188-S192 PolarHBondContact O-N 3.27Å; Q188-S192 PolarHBondContact O-OG 2.98Å; T189-S192 PolarHBondContact O-N 3.17Å; T189-S192 PolarHBondContact O-OG 3.05Å
193	A	89.5	Confident	91.1	Very high	69 Å²	69	53.7 Å²	53.7	57%	0.57	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.1	176.2	0	0	0	0	0	114.3	T189 V190 A191	T189-A193 PolarHBondContact O-N 3.38Å; V190-A193 PolarHBondContact O-N 2.93Å; A191-A193 VanDerWaalsContact C-N 3.31Å; A191-A193 PolarHBondContact O-N 3.26Å
194	H	88.6	Confident	91.3	Very high	46 Å²	46	60.5 Å²	60.5	21%	0.213	32%	0.323	C	S	.	.			trans	-125	98.1	-176.2	-66.1	86.8	0	0	0	111.3	L156 V190 A191 E196 L197	L156-H194 HydrophobicContact CD1-CB 4.12Å; L156-H194 VanDerWaalsContact CD2-CE1 3.44Å; L156-H194 WeakPolarHBondContact CD2-CE1 3.41Å; L156-H194 WeakPolarHBondContact CD2-NE2 3.41Å; V190-H194 PolarHBondContact O-N 3.33Å; V190-H194 PolarHBondContact O-ND1 3.19Å; A191-H194 PolarHBondContact O-N 2.91Å; H194-E196 PolarHBondContact O-N 3.46Å; H194-L197 HydrophobicContact CB-CD1 4.35Å; H194-L197 PolarHBondContact O-N 3.42Å
195	E	84.8	Confident	91.3	Very high	202 Å²	202	59.4 Å²	59.4	94%	0.944	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.5	-172.8	-62.5	-174.1	171.9	0	0	115.1	L197	E195-L197 PolarHBondContact O-N 2.98Å
196	E	84.8	Confident	91.2	Very high	136 Å²	136	63.4 Å²	63.4	64%	0.636	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.5	179.4	-60	172.2	168	0	0	113.6	K160 H194	K160-E196 IonicContact NZ-OE2 3.77Å; H194-E196 PolarHBondContact O-N 3.46Å
197	L	88.2	Confident	91.1	Very high	17 Å²	17	63.7 Å²	63.7	9%	0.089	34%	0.338	C	S	.	.			trans	-117	135.4	-174.2	-72.5	164.2	0	0	0	112	L156 L159 W164 H194 E195	L156-L197 HydrophobicContact CD1-CD1 3.06Å; L156-L197 HydrophobicContact CG-CD1 4.27Å; L159-L197 HydrophobicContact CB-CD2 3.98Å; L159-L197 HydrophobicContact CD1-CD2 4.11Å; W164-L197 WeakPolarHBondContact O-CD2 3.44Å; H194-L197 HydrophobicContact CB-CD1 4.35Å; H194-L197 PolarHBondContact O-N 3.42Å; E195-L197 PolarHBondContact O-N 2.98Å
198	S	91.5	Very high	90.7	Very high	62 Å²	62	65.6 Å²	65.6	43%	0.434	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.7	178.5	-165.7	0	0	0	0	110.9	T165 E166 F167 A200	T165-S198 PolarHBondContact O-N 2.88Å; E166-S198 WeakPolarHBondContact CA-O 3.48Å; F167-S198 PolarHBondContact N-O 2.9Å; S198-A200 PolarHBondContact O-N 3.36Å
199	L	93.6	Very high	90.5	Very high	42 Å²	42	69 Å²	69	22%	0.22	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	93.3	163.7	175.6	60.5	0	0	0	108.4	F167 F169 Q188 A191 Y201	F167-L199 HydrophobicContact CD2-CD1 4.09Å; F167-L199 HydrophobicContact CE1-CB 4.17Å; F167-L199 HydrophobicContact CE1-CD1 4.48Å; F167-L199 HydrophobicContact CE2-CD1 3.62Å; F167-L199 HydrophobicContact CZ-CB 4.08Å; F167-L199 HydrophobicContact CZ-CD1 3.84Å; F167-L199 HydrophobicContact CZ-CG 4.46Å; F169-L199 HydrophobicContact CB-CD1 3.75Å; Q188-L199 HydrophobicContact CG-CD2 3.63Å; A191-L199 HydrophobicContact CB-CB 4.08Å; L199-Y201 PolarHBondContact O-N 2.91Å
200	A	90.7	Very high	90.3	Very high	38 Å²	38	67.9 Å²	67.9	31%	0.314	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-33.9	-172.2	0	0	0	0	0	113.3	E166 F167 V168 S198	E166-A200 HydrophobicContact CG-CB 3.72Å; E166-A200 WeakPolarHBondContact OE1-CB 3.42Å; F167-A200 PolarHBondContact O-N 3.33Å; V168-A200 HydrophobicContact CG2-CB 4.47Å; S198-A200 PolarHBondContact O-N 3.36Å
201	Y	93.1	Very high	90.3	Very high	64 Å²	64	75.2 Å²	75.2	25%	0.251	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	147.9	-178.6	-166.3	-127	0	0	0	112.3	V168 F169 L199 F203 R223	V168-Y201 WeakPolarHBondContact CA-O 3.4Å; V168-Y201 HydrophobicContact CG1-CD1 4.37Å; F169-Y201 PolarHBondContact N-O 2.99Å; L199-Y201 PolarHBondContact O-N 2.91Å; Y201-F203 HydrophobicContact CD1-CB 4.13Å; Y201-F203 HydrophobicContact CE1-CB 3.73Å; Y201-F203 AromaticContact CE1-CD2 3.58Å; Y201-F203 HydrophobicContact CE1-CD2 3.58Å; Y201-F203 HydrophobicContact CE1-CG 4.09Å; Y201-F203 AromaticContact CZ-CD2 3.91Å; Y201-F203 WeakPolarHBondContact OH-CD2 3.34Å; Y201-R223 VanDerWaalsContact CZ-CZ 3.49Å; Y201-R223 PolarHBondContact OH-NH1 3.35Å
202	T	94.3	Very high	90.3	Very high	39 Å²	39	76.6 Å²	76.6	24%	0.239	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.4	171.3	-60.3	0	0	0	0	108.7	F169 Y171 K184	F169-T202 HydrophobicContact CD1-CG2 4.15Å; F169-T202 CarbonylContact O-C 3.55Å; F169-T202 VanDerWaalsContact O-CA 3.27Å; F169-T202 WeakPolarHBondContact O-CA 3.36Å; Y171-T202 HydrophobicContact CD1-CG2 4.19Å; Y171-T202 HydrophobicContact CE1-CG2 3.83Å; K184-T202 HydrophobicContact CD-CG2 4Å; K184-T202 HydrophobicContact CG-CG2 4.2Å
203	F	94.4	Very high	90.4	Very high	46 Å²	46	72 Å²	72	20%	0.202	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.7	-178.5	-167	-93.2	0	0	0	112	F169 L170 Y171 Y201 A216 E219 I220	F169-F203 PolarHBondContact O-N 3.45Å; L170-F203 WeakPolarHBondContact CA-O 3.39Å; L170-F203 HydrophobicContact CD1-CB 4.04Å; L170-F203 HydrophobicContact CD1-CD1 3.75Å; L170-F203 HydrophobicContact CD1-CG 4.36Å; Y171-F203 VanDerWaalsContact CD1-O 3.23Å; Y171-F203 WeakPolarHBondContact CD1-O 3.14Å; Y171-F203 PolarHBondContact N-O 2.92Å; Y201-F203 HydrophobicContact CD1-CB 4.13Å; Y201-F203 HydrophobicContact CE1-CB 3.73Å; Y201-F203 AromaticContact CE1-CD2 3.58Å; Y201-F203 HydrophobicContact CE1-CD2 3.58Å; Y201-F203 HydrophobicContact CE1-CG 4.09Å; Y201-F203 AromaticContact CZ-CD2 3.91Å; Y201-F203 WeakPolarHBondContact OH-CD2 3.34Å; F203-A216 HydrophobicContact CD1-CB 3.69Å; F203-A216 HydrophobicContact CE1-CB 3.42Å; F203-A216 VanDerWaalsContact CE1-CB 3.42Å; F203-A216 HydrophobicContact CZ-CB 4.43Å; F203-E219 HydrophobicContact CD2-CB 4.45Å; F203-E219 HydrophobicContact CE2-CB 4.14Å; F203-E219 HydrophobicContact CE2-CG 4.22Å; F203-I220 HydrophobicContact CB-CG2 4.33Å
204	R	94.4	Very high	90.6	Very high	145 Å²	145	73.5 Å²	73.5	55%	0.547	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.6	175.8	-169.2	178.4	68.4	176.3	2.8	110.7	Y171	Y171-R204 HydrophobicContact CD1-CB 4.37Å; Y171-R204 HydrophobicContact CD2-CG 4.31Å; Y171-R204 HydrophobicContact CE1-CB 3.65Å; Y171-R204 HydrophobicContact CE1-CG 4.11Å; Y171-R204 HydrophobicContact CE2-CB 4.2Å; Y171-R204 HydrophobicContact CE2-CG 3.72Å; Y171-R204 CarbonylContact O-C 3.59Å; Y171-R204 WeakPolarHBondContact O-CA 3.47Å
205	I	93	Very high	90.9	Very high	2 Å²	2	74 Å²	74	1%	0.01	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.3	170.5	-48.4	178.9	0	0	0	108.7	L170 Y171 C172 S207 D212 M213 A216 V231 L241	L170-I205 HydrophobicContact CD1-CD1 3.9Å; L170-I205 HydrophobicContact CD1-CG1 3.55Å; L170-I205 HydrophobicContact CD2-CD1 4.04Å; L170-I205 HydrophobicContact CG-CD1 3.89Å; L170-I205 HydrophobicContact CG-CG1 4.08Å; Y171-I205 PolarHBondContact O-N 3.39Å; C172-I205 HydrophobicContact CB-CB 3.94Å; C172-I205 HydrophobicContact CB-CD1 4.34Å; C172-I205 HydrophobicContact CB-CG1 4.46Å; I205-S207 VanDerWaalsContact CG2-O 3.25Å; I205-S207 WeakPolarHBondContact CG2-O 3.34Å; I205-D212 HydrophobicContact CG2-CB 4.21Å; I205-M213 HydrophobicContact CD1-CG 4.38Å; I205-M213 HydrophobicContact CG2-CG 4.05Å; I205-A216 HydrophobicContact CD1-CB 4.42Å; I205-A216 HydrophobicContact CG1-CB 3.89Å; I205-V231 HydrophobicContact CD1-CG1 4.5Å; I205-L241 HydrophobicContact CD1-CD1 4.11Å
206	Q	89.6	Confident	91.3	Very high	159 Å²	159	64.3 Å²	64.3	74%	0.743	32%	0.316	S	S	*	.			trans	-72	-42.3	-174.9	-63.5	-171.9	6.2	0	0	113.2
207	S	89.5	Confident	91.8	Very high	19 Å²	19	57.9 Å²	57.9	13%	0.133	29%	0.286	C	S	.	.			trans	-146.9	170	178.8	83.8	0	0	0	0	112.1	D174 I205 K209 D212	D174-S207 WeakPolarHBondContact OD2-CA 3.46Å; I205-S207 VanDerWaalsContact CG2-O 3.25Å; I205-S207 WeakPolarHBondContact CG2-O 3.34Å; S207-K209 PolarHBondContact O-N 2.99Å; S207-K209 VanDerWaalsContact OG-CB 3.31Å; S207-K209 WeakPolarHBondContact OG-CB 3.46Å; S207-K209 VanDerWaalsContact OG-CG 3.31Å; S207-K209 WeakPolarHBondContact OG-CG 3.36Å; S207-K209 PolarHBondContact OG-N 3.32Å; S207-K209 VanDerWaalsContact OG-N 3.15Å; S207-D212 WeakPolarHBondContact CB-OD2 3.43Å; S207-D212 PolarHBondContact OG-OD2 3.38Å
208	K	86.3	Confident	92.1	Very high	44 Å²	44	59.7 Å²	59.7	19%	0.191	30%	0.298	C	S	.	.	S	Bend	trans	-70.7	-0.7	174	-66.3	171.5	-177.4	-160.2	0	114.2	D174 M213 A232 S237	D174-K208 HydrophobicContact CB-CG 4.12Å; D174-K208 WeakPolarHBondContact O-CE 3.37Å; D174-K208 WeakPolarHBondContact OD2-CG 3.48Å; D174-K208 PolarHBondContact OD2-N 3.3Å; K208-M213 HydrophobicContact CB-CE 4.34Å; K208-A232 VanDerWaalsContact NZ-CB 3.26Å; K208-S237 VanDerWaalsContact CD-OG 3.23Å; K208-S237 WeakPolarHBondContact CD-OG 3.38Å
209	K	87.7	Confident	92.1	Very high	142 Å²	142	59.3 Å²	59.3	62%	0.617	29%	0.289	S	S	*	.	S	Bend	trans	-69.5	143.2	-178.8	-65.4	177.8	-179.2	-177.5	0	111.1	S207 E211 D212 M213	S207-K209 PolarHBondContact O-N 2.99Å; S207-K209 VanDerWaalsContact OG-CB 3.31Å; S207-K209 WeakPolarHBondContact OG-CB 3.46Å; S207-K209 VanDerWaalsContact OG-CG 3.31Å; S207-K209 WeakPolarHBondContact OG-CG 3.36Å; S207-K209 PolarHBondContact OG-N 3.32Å; S207-K209 VanDerWaalsContact OG-N 3.15Å; K209-E211 PolarHBondContact O-N 3.49Å; K209-D212 PolarHBondContact O-N 3.11Å; K209-M213 WeakPolarHBondContact O-CG 3.46Å; K209-M213 PolarHBondContact O-N 3.36Å; K209-M213 VanDerWaalsContact O-N 3.1Å
210	L	88.3	Confident	92	Very high	39 Å²	39	57.3 Å²	57.3	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-55.6	-39	180	-176.7	65.1	0	0	0	112.5	M213 R214 T240 Q243 A244 L247	L210-M213 PolarHBondContact O-N 2.83Å; L210-R214 HydrophobicContact CD1-CG 4.42Å; L210-R214 HydrophobicContact CG-CG 4.4Å; L210-R214 WeakPolarHBondContact O-CB 3.45Å; L210-R214 VanDerWaalsContact O-CG 3.26Å; L210-R214 WeakPolarHBondContact O-CG 3.05Å; L210-R214 PolarHBondContact O-N 3.2Å; L210-T240 HydrophobicContact CB-CG2 3.92Å; L210-T240 HydrophobicContact CD1-CG2 3.87Å; L210-Q243 HydrophobicContact CD1-CB 4.23Å; L210-A244 HydrophobicContact CD1-CB 3.98Å; L210-L247 HydrophobicContact CD1-CD1 4.27Å; L210-L247 HydrophobicContact CD2-CD1 3.98Å; L210-L247 HydrophobicContact CG-CD1 4.4Å
211	E	91.3	Very high	92	Very high	157 Å²	157	58.3 Å²	58.3	73%	0.734	28%	0.276	S	S	*	.	H	α-helix	trans	-60.6	-46.8	179.5	-63.3	180	168.7	0	0	112.6	K209 R214 A215	K209-E211 PolarHBondContact O-N 3.49Å; E211-R214 PolarHBondContact O-N 3.04Å; E211-A215 PolarHBondContact O-N 3.07Å
212	D	92.4	Very high	91.9	Very high	43 Å²	43	60.8 Å²	60.8	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-38.2	179.1	-69.4	-33.7	0	0	0	111.4	I205 S207 K209 A215 A216	I205-D212 HydrophobicContact CG2-CB 4.21Å; S207-D212 WeakPolarHBondContact CB-OD2 3.43Å; S207-D212 PolarHBondContact OG-OD2 3.38Å; K209-D212 PolarHBondContact O-N 3.11Å; D212-A215 PolarHBondContact O-N 3.46Å; D212-A216 PolarHBondContact O-N 3.36Å
213	M	92.1	Very high	91.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-43.3	173.9	-67	-169.3	176.5	0	0	111.3	I205 K208 K209 L210 A216 I217 S237 T240 L241 A244	I205-M213 HydrophobicContact CD1-CG 4.38Å; I205-M213 HydrophobicContact CG2-CG 4.05Å; K208-M213 HydrophobicContact CB-CE 4.34Å; K209-M213 WeakPolarHBondContact O-CG 3.46Å; K209-M213 PolarHBondContact O-N 3.36Å; K209-M213 VanDerWaalsContact O-N 3.1Å; L210-M213 PolarHBondContact O-N 2.83Å; M213-A216 WeakPolarHBondContact O-CB 3.45Å; M213-A216 PolarHBondContact O-N 2.93Å; M213-I217 WeakPolarHBondContact O-CG1 3.42Å; M213-I217 PolarHBondContact O-N 3.41Å; M213-S237 WeakPolarHBondContact CE-O 3.11Å; M213-T240 HydrophobicContact CE-CG2 4.42Å; M213-T240 VanDerWaalsContact SD-C 3.51Å; M213-T240 HydrophobicContact SD-CG2 3.63Å; M213-L241 HydrophobicContact CB-CD1 4.35Å; M213-L241 HydrophobicContact CE-CB 4.42Å; M213-L241 HydrophobicContact CG-CD1 4.48Å; M213-L241 WeakPolarHBondContact SD-CA 3.37Å; M213-L241 HydrophobicContact SD-CB 3.72Å; M213-L241 HydrophobicContact SD-CD1 4.34Å; M213-L241 PolarHBondContact SD-N 3.25Å; M213-A244 HydrophobicContact CB-CB 3.76Å
214	R	93.9	Very high	91.6	Very high	101 Å²	101	60.9 Å²	60.9	38%	0.381	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-45.4	175.6	-74.2	178.4	69.8	-176.5	0.9	111.9	L210 E211 A216 I217 V218 A244 L247 E248	L210-R214 HydrophobicContact CD1-CG 4.42Å; L210-R214 HydrophobicContact CG-CG 4.4Å; L210-R214 WeakPolarHBondContact O-CB 3.45Å; L210-R214 VanDerWaalsContact O-CG 3.26Å; L210-R214 WeakPolarHBondContact O-CG 3.05Å; L210-R214 PolarHBondContact O-N 3.2Å; E211-R214 PolarHBondContact O-N 3.04Å; R214-A216 PolarHBondContact O-N 2.96Å; R214-I217 PolarHBondContact O-N 3.1Å; R214-I217 VanDerWaalsContact O-N 3.1Å; R214-V218 WeakPolarHBondContact O-CG2 3.38Å; R214-V218 PolarHBondContact O-N 3.33Å; R214-A244 HydrophobicContact CB-CB 4.46Å; R214-A244 HydrophobicContact CG-CB 3.69Å; R214-L247 HydrophobicContact CG-CD1 4.47Å; R214-E248 HydrophobicContact CB-CG 4.42Å; R214-E248 HydrophobicContact CG-CG 4.49Å; R214-E248 IonicContact CZ-OE1 3.93Å; R214-E248 VanDerWaalsContact CZ-OE1 3.25Å; R214-E248 IonicContact NE-OE1 2.86Å; R214-E248 PolarHBondContact NE-OE1 2.58Å; R214-E248 IonicContact NH2-OE1 2.65Å; R214-E248 PolarHBondContact NH2-OE1 3.03Å
215	A	94.3	Very high	91.6	Very high	56 Å²	56	55 Å²	55	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-57.9	-40.5	175.6	0	0	0	0	0	111.6	E211 D212 V218 E219	E211-A215 PolarHBondContact O-N 3.07Å; D212-A215 PolarHBondContact O-N 3.46Å; A215-V218 PolarHBondContact O-N 3.15Å; A215-E219 PolarHBondContact O-N 3.5Å
216	A	94.2	Very high	91.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-44.9	174.1	0	0	0	0	0	112.2	L170 F203 I205 D212 M213 R214 V218 E219 I220	L170-A216 HydrophobicContact CD1-CB 3.97Å; F203-A216 HydrophobicContact CD1-CB 3.69Å; F203-A216 HydrophobicContact CE1-CB 3.42Å; F203-A216 VanDerWaalsContact CE1-CB 3.42Å; F203-A216 HydrophobicContact CZ-CB 4.43Å; I205-A216 HydrophobicContact CD1-CB 4.42Å; I205-A216 HydrophobicContact CG1-CB 3.89Å; D212-A216 PolarHBondContact O-N 3.36Å; M213-A216 WeakPolarHBondContact O-CB 3.45Å; M213-A216 PolarHBondContact O-N 2.93Å; R214-A216 PolarHBondContact O-N 2.96Å; A216-V218 VanDerWaalsContact C-N 3.32Å; A216-V218 PolarHBondContact O-N 3.35Å; A216-E219 PolarHBondContact O-N 3.5Å; A216-E219 VanDerWaalsContact O-N 3.17Å; A216-I220 WeakPolarHBondContact O-CG2 3.26Å; A216-I220 PolarHBondContact O-N 2.87Å
217	I	94.7	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-40.9	177	-60.1	-49.7	0	0	0	111.4	L170 M213 R214 E219 I220 K221 L241 A244 V245 E248 A250	L170-I217 HydrophobicContact CD2-CD1 4.26Å; M213-I217 WeakPolarHBondContact O-CG1 3.42Å; M213-I217 PolarHBondContact O-N 3.41Å; R214-I217 PolarHBondContact O-N 3.1Å; R214-I217 VanDerWaalsContact O-N 3.1Å; I217-E219 VanDerWaalsContact C-N 3.29Å; I217-E219 PolarHBondContact O-N 3.29Å; I217-I220 HydrophobicContact CD1-CD1 3.54Å; I217-I220 VanDerWaalsContact O-CG1 3.3Å; I217-I220 WeakPolarHBondContact O-CG1 3.41Å; I217-I220 PolarHBondContact O-N 3.3Å; I217-K221 HydrophobicContact CG2-CD 3.99Å; I217-K221 HydrophobicContact CG2-CG 4.2Å; I217-K221 WeakPolarHBondContact O-CG 3.37Å; I217-K221 PolarHBondContact O-N 3.07Å; I217-K221 VanDerWaalsContact O-N 3.12Å; I217-L241 HydrophobicContact CD1-CD1 3.95Å; I217-A244 HydrophobicContact CG1-CB 4.13Å; I217-V245 HydrophobicContact CD1-CG2 3.53Å; I217-V245 HydrophobicContact CG1-CG2 3.97Å; I217-E248 HydrophobicContact CB-CB 4.3Å; I217-E248 HydrophobicContact CB-CG 4.12Å; I217-E248 HydrophobicContact CG2-CB 3.63Å; I217-E248 HydrophobicContact CG2-CG 4.02Å; I217-A250 HydrophobicContact CG2-CB 3.83Å
218	V	93.9	Very high	92.4	Very high	56 Å²	56	46.4 Å²	46.4	34%	0.339	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-39.6	176.5	172.1	0	0	0	0	112	R214 A215 A216 E248	R214-V218 WeakPolarHBondContact O-CG2 3.38Å; R214-V218 PolarHBondContact O-N 3.33Å; A215-V218 PolarHBondContact O-N 3.15Å; A216-V218 VanDerWaalsContact C-N 3.32Å; A216-V218 PolarHBondContact O-N 3.35Å; V218-E248 HydrophobicContact CG2-CG 4.16Å; V218-E248 WeakPolarHBondContact CG2-OE2 3.42Å
219	E	92.5	Very high	92.8	Very high	54 Å²	54	44.3 Å²	44.3	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-74.1	-39.8	179.8	-76.6	-57.3	120.1	0	0	113.6	F203 A215 A216 I217 K222 R223	F203-E219 HydrophobicContact CD2-CB 4.45Å; F203-E219 HydrophobicContact CE2-CB 4.14Å; F203-E219 HydrophobicContact CE2-CG 4.22Å; A215-E219 PolarHBondContact O-N 3.5Å; A216-E219 PolarHBondContact O-N 3.5Å; A216-E219 VanDerWaalsContact O-N 3.17Å; I217-E219 VanDerWaalsContact C-N 3.29Å; I217-E219 PolarHBondContact O-N 3.29Å; E219-K222 PolarHBondContact O-N 2.78Å; E219-K222 IonicContact OE1-NZ 3.86Å; E219-K222 PolarHBondContact OE1-NZ 2.88Å; E219-K222 IonicContact OE2-NZ 3.85Å; E219-R223 IonicContact OE2-NH1 3.58Å; E219-R223 PolarHBondContact OE2-NH1 3.47Å
220	I	92.1	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-71.7	-32.7	-179.6	68.3	-175.7	0	0	0	112.3	V168 L170 F203 A216 I217 K222 R223 G224 I227	V168-I220 HydrophobicContact CG1-CB 4.18Å; V168-I220 HydrophobicContact CG1-CG2 3.9Å; L170-I220 HydrophobicContact CD1-CG2 4.31Å; L170-I220 HydrophobicContact CD2-CD1 4.12Å; F203-I220 HydrophobicContact CB-CG2 4.33Å; A216-I220 WeakPolarHBondContact O-CG2 3.26Å; A216-I220 PolarHBondContact O-N 2.87Å; I217-I220 HydrophobicContact CD1-CD1 3.54Å; I217-I220 VanDerWaalsContact O-CG1 3.3Å; I217-I220 WeakPolarHBondContact O-CG1 3.41Å; I217-I220 PolarHBondContact O-N 3.3Å; I220-K222 PolarHBondContact O-N 2.96Å; I220-K222 VanDerWaalsContact O-N 3.07Å; I220-R223 PolarHBondContact O-N 3.05Å; I220-G224 PolarHBondContact O-N 3Å; I220-I227 HydrophobicContact CD1-CD1 3.6Å; I220-I227 HydrophobicContact CD1-CG1 4.15Å; I220-I227 HydrophobicContact CD1-CG2 4.05Å; I220-I227 HydrophobicContact CG1-CD1 4.2Å
221	K	90.3	Very high	93.1	Very high	58 Å²	58	35.8 Å²	35.8	25%	0.252	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26	178.7	-77.1	172.9	73	-177.8	0	113.2	I217 R223 R225 E248 A250 Y255	I217-K221 HydrophobicContact CG2-CD 3.99Å; I217-K221 HydrophobicContact CG2-CG 4.2Å; I217-K221 WeakPolarHBondContact O-CG 3.37Å; I217-K221 PolarHBondContact O-N 3.07Å; I217-K221 VanDerWaalsContact O-N 3.12Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R225 PolarHBondContact O-NH1 3.39Å; K221-E248 HydrophobicContact CD-CB 4.39Å; K221-E248 PolarHBondContact NZ-O 3.21Å; K221-A250 HydrophobicContact CD-CB 3.97Å; K221-A250 HydrophobicContact CG-CB 4.11Å; K221-Y255 HydrophobicContact CG-CE1 3.98Å
222	K	90.4	Very high	92.6	Very high	116 Å²	116	28.4 Å²	28.4	50%	0.504	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-16.6	177.8	-60.7	172.2	-174.2	170.3	0	113.2	E219 I220 F465	E219-K222 PolarHBondContact O-N 2.78Å; E219-K222 IonicContact OE1-NZ 3.86Å; E219-K222 PolarHBondContact OE1-NZ 2.88Å; E219-K222 IonicContact OE2-NZ 3.85Å; I220-K222 PolarHBondContact O-N 2.96Å; I220-K222 VanDerWaalsContact O-N 3.07Å; K222-F465 WeakPolarHBondContact O-CB 3.45Å
223	R	90.5	Very high	91.5	Very high	84 Å²	84	28.5 Å²	28.5	32%	0.317	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-19.9	-167.9	-61.7	-177.8	179.4	103.4	-6.1	114.7	V168 Y201 E219 I220 K221 F465	V168-R223 HydrophobicContact CG2-CB 4.38Å; Y201-R223 VanDerWaalsContact CZ-CZ 3.49Å; Y201-R223 PolarHBondContact OH-NH1 3.35Å; E219-R223 IonicContact OE2-NH1 3.58Å; E219-R223 PolarHBondContact OE2-NH1 3.47Å; I220-R223 PolarHBondContact O-N 3.05Å; K221-R223 VanDerWaalsContact C-N 3.3Å; R223-F465 WeakPolarHBondContact O-CE1 3.4Å; R223-F465 WeakPolarHBondContact O-CZ 3.31Å
224	G	92.2	Very high	90.2	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.031	16%	0.163	C	C	.	.			trans	-153.2	163.4	-175.1	0	0	0	0	0	115	I220	I220-G224 PolarHBondContact O-N 3Å
225	R	94.3	Very high	88.8	Confident	21 Å²	21	31.9 Å²	31.9	8%	0.079	18%	0.177	C	C	.	.	S	Bend	trans	-124.1	-28.9	171.9	-73.7	-56.9	177.4	-84	0.2	112.7	K221 E254 Y255 V256 P461 F465	K221-R225 PolarHBondContact O-NH1 3.39Å; R225-E254 VanDerWaalsContact CB-O 3.31Å; R225-E254 WeakPolarHBondContact CB-O 3.48Å; R225-E254 WeakPolarHBondContact CD-O 3.03Å; R225-E254 IonicContact CZ-OE2 3.93Å; R225-E254 IonicContact NE-OE2 3.15Å; R225-E254 PolarHBondContact NE-OE2 3.49Å; R225-E254 IonicContact NH2-OE2 2.78Å; R225-E254 PolarHBondContact NH2-OE2 3.22Å; R225-Y255 VanDerWaalsContact CD-CE1 3.42Å; R225-Y255 VanDerWaalsContact CD-CZ 3.44Å; R225-Y255 PolarHBondContact NE-OH 3.05Å; R225-Y255 PolarHBondContact NH1-OH 3.34Å; R225-Y255 PolarHBondContact NH2-OH 3.46Å; R225-Y255 WeakPolarHBondContact O-CA 3.32Å; R225-V256 PolarHBondContact O-N 3.18Å; R225-V256 VanDerWaalsContact O-N 3.09Å; R225-P461 HydrophobicContact CG-CG 3.88Å; R225-F465 HydrophobicContact CG-CE1 4.45Å
226	I	96.2	Very high	87.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.2	172.1	-42.7	-54	0	0	0	107.4	L159 W164 F167 V168 V256 I258 P457 A459	L159-I226 HydrophobicContact CD2-CG2 3.69Å; W164-I226 HydrophobicContact CB-CG1 4.06Å; W164-I226 HydrophobicContact CB-CG2 4.36Å; W164-I226 HydrophobicContact CD2-CD1 3.72Å; W164-I226 HydrophobicContact CD2-CG1 4Å; W164-I226 HydrophobicContact CD2-CG2 3.91Å; W164-I226 HydrophobicContact CE3-CD1 4.47Å; W164-I226 HydrophobicContact CE3-CG2 3.67Å; W164-I226 HydrophobicContact CG-CD1 3.76Å; W164-I226 HydrophobicContact CG-CG1 3.72Å; W164-I226 HydrophobicContact CG-CG2 4.24Å; W164-I226 HydrophobicContact CZ2-CD1 4.22Å; W164-I226 HydrophobicContact CZ3-CG2 4.29Å; F167-I226 WeakPolarHBondContact CA-O 3.47Å; F167-I226 HydrophobicContact CB-CB 4.03Å; F167-I226 HydrophobicContact CB-CG2 4.09Å; V168-I226 PolarHBondContact N-O 2.91Å; I226-V256 HydrophobicContact CB-CG1 4.21Å; I226-V256 HydrophobicContact CD1-CG1 3.48Å; I226-V256 VanDerWaalsContact CD1-CG1 3.48Å; I226-V256 HydrophobicContact CG1-CG1 4.39Å; I226-V256 HydrophobicContact CG2-CG1 3.82Å; I226-I258 HydrophobicContact CG2-CD1 4.35Å; I226-P457 HydrophobicContact CD1-CB 4.26Å; I226-A459 HydrophobicContact CG1-CB 4.39Å
227	I	96.3	Very high	87.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.2	-170.4	-60.9	158.2	0	0	0	108.7	V168 L170 I220 Y255 V256 Y257 I258	V168-I227 WeakPolarHBondContact O-CA 3.32Å; L170-I227 HydrophobicContact CB-CG2 4.26Å; I220-I227 HydrophobicContact CD1-CD1 3.6Å; I220-I227 HydrophobicContact CD1-CG1 4.15Å; I220-I227 HydrophobicContact CD1-CG2 4.05Å; I220-I227 HydrophobicContact CG1-CD1 4.2Å; I227-Y255 HydrophobicContact CD1-CD1 3.89Å; I227-V256 PolarHBondContact N-O 3.39Å; I227-Y257 HydrophobicContact CB-CD1 3.84Å; I227-Y257 HydrophobicContact CB-CE1 4.02Å; I227-Y257 HydrophobicContact CD1-CD1 4.04Å; I227-Y257 HydrophobicContact CD1-CE1 3.33Å; I227-Y257 HydrophobicContact CG1-CE1 4.27Å; I227-Y257 HydrophobicContact CG2-CD1 3.87Å; I227-Y257 HydrophobicContact CG2-CE1 4.06Å; I227-Y257 CarbonylContact O-C 3.46Å; I227-Y257 VanDerWaalsContact O-CA 3.26Å; I227-Y257 WeakPolarHBondContact O-CA 3.26Å; I227-I258 PolarHBondContact O-N 3.22Å
228	V	96.1	Very high	87.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.9	170	179.4	0	0	0	0	107.5	I155 F167 V168 F169 L170 I258	I155-V228 HydrophobicContact CD1-CG1 3.69Å; I155-V228 HydrophobicContact CG1-CG1 4.26Å; I155-V228 HydrophobicContact CG2-CG1 4.39Å; I155-V228 HydrophobicContact CG2-CG2 3.78Å; F167-V228 HydrophobicContact CD2-CB 4.25Å; F167-V228 HydrophobicContact CD2-CG2 3.59Å; F167-V228 HydrophobicContact CE2-CB 4.5Å; F167-V228 HydrophobicContact CE2-CG2 4.01Å; V168-V228 PolarHBondContact O-N 3.35Å; F169-V228 CarbonylContact C-O 3.47Å; F169-V228 WeakPolarHBondContact CA-O 3.38Å; F169-V228 HydrophobicContact CD2-CB 3.89Å; F169-V228 HydrophobicContact CD2-CG1 3.58Å; F169-V228 HydrophobicContact CE2-CB 4.49Å; F169-V228 HydrophobicContact CE2-CG1 3.7Å; L170-V228 PolarHBondContact N-O 2.83Å; V228-I258 CarbonylContact C-O 3.54Å; V228-I258 VanDerWaalsContact CA-O 3.31Å; V228-I258 WeakPolarHBondContact CA-O 3.34Å; V228-I258 HydrophobicContact CG2-CB 4.32Å
229	A	94.5	Very high	86.9	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.7	-175.2	0	0	0	0	0	112.2	L170 L241 I258 M259	L170-A229 HydrophobicContact CB-CB 4.43Å; L170-A229 CarbonylContact O-C 3.55Å; L170-A229 WeakPolarHBondContact O-CA 3.17Å; A229-L241 HydrophobicContact CB-CD2 4.06Å; A229-I258 PolarHBondContact N-O 3.3Å; A229-M259 HydrophobicContact CB-CE 4.2Å; A229-M259 HydrophobicContact CB-CG 4.1Å; A229-M259 WeakPolarHBondContact O-CA 3.07Å
230	C	93	Very high	86.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.9	169.9	-171.6	0	0	0	0	110.6	F169 L170 Y171 C172 C180 L183	F169-C230 HydrophobicContact CZ-CB 4.28Å; L170-C230 PolarHBondContact O-N 2.91Å; Y171-C230 CarbonylContact C-O 3.57Å; Y171-C230 WeakPolarHBondContact CA-O 3.41Å; C172-C230 PolarHBondContact N-O 3.49Å; C180-C230 WeakPolarHBondContact CA-SG 3.49Å; C180-C230 HydrophobicContact CB-CB 3.76Å; C180-C230 WeakPolarHBondContact CB-SG 3.17Å; C180-C230 WeakPolarHBondContact SG-CB 3.43Å; C180-C230 PolarHBondContact SG-O 3.01Å; C180-C230 VanDerWaalsContact SG-O 3.39Å; C180-C230 CovalentContact SG-SG 2.05Å; C180-C230 PolarHBondContact SG-SG 3.25Å; L183-C230 HydrophobicContact CD2-CB 4.12Å
231	V	89.4	Confident	86.6	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.151	C	C	.	.			trans	-136.3	158.7	173.8	-64.7	0	0	0	0	109.1	C172 K179 I205 S233 K238 L241	C172-V231 HydrophobicContact CB-CG1 3.95Å; K179-V231 PolarHBondContact NZ-O 3.35Å; I205-V231 HydrophobicContact CD1-CG1 4.5Å; V231-S233 PolarHBondContact O-N 3.44Å; V231-K238 HydrophobicContact CG2-CB 4.26Å; V231-K238 HydrophobicContact CG2-CG 3.42Å; V231-K238 VanDerWaalsContact CG2-CG 3.42Å; V231-L241 HydrophobicContact CG1-CD2 3.95Å
232	A	80.2	Confident	86.7	Confident	3 Å²	3	25.2 Å²	25.2	3%	0.025	14%	0.139	C	C	.	.			trans	-48.4	137.2	177.2	0	0	0	0	0	112.7	G175 D176 K208	G175-A232 WeakPolarHBondContact O-CB 3.46Å; D176-A232 HydrophobicContact CB-CB 4.23Å; K208-A232 VanDerWaalsContact NZ-CB 3.26Å
233	S	69.8	Low	86.7	Confident	45 Å²	45	20.7 Å²	20.7	32%	0.315	12%	0.12	S	C	.	.	S	Bend	trans	-79.7	127.6	173.6	-45.1	0	0	0	0	108.4	K179 V231 E261	K179-S233 PolarHBondContact NZ-OG 2.79Å; V231-S233 PolarHBondContact O-N 3.44Å; S233-E261 PolarHBondContact OG-OE2 3.28Å
234	G	65	Low	86.7	Confident	43 Å²	43	16.7 Å²	16.7	44%	0.443	11%	0.105	S	C	.	.	S	Bend	trans	96.7	159.8	-177.7	0	0	0	0	0	114.4
235	N	64.4	Low	86.8	Confident	129 Å²	129	16.6 Å²	16.6	69%	0.69	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	66.5	-175.1	-63.6	-3.9	0	0	0	112.4	S237 F284	N235-S237 PolarHBondContact O-N 2.89Å; N235-S237 PolarHBondContact O-OG 3.41Å; N235-S237 VanDerWaalsContact O-OG 3.1Å; N235-F284 HydrophobicContact CB-CE2 4.46Å; N235-F284 HydrophobicContact CB-CZ 3.97Å; N235-F284 WeakPolarHBondContact O-CE2 3.42Å; N235-F284 WeakPolarHBondContact O-CZ 3.41Å
236	G	76.6	Confident	86.7	Confident	21 Å²	21	16.3 Å²	16.3	22%	0.216	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	3.1	162.8	0	0	0	0	0	120.4	K238 R239 T240 F284	G236-K238 PolarHBondContact O-N 2.85Å; G236-R239 CarbonylContact O-C 3.55Å; G236-R239 WeakPolarHBondContact O-CA 3.47Å; G236-R239 VanDerWaalsContact O-CB 3.29Å; G236-R239 WeakPolarHBondContact O-CB 3.49Å; G236-R239 PolarHBondContact O-N 3.28Å; G236-T240 PolarHBondContact O-N 2.93Å; G236-T240 PolarHBondContact O-OG1 3.07Å; G236-T240 VanDerWaalsContact O-OG1 3.1Å; G236-F284 VanDerWaalsContact CA-CD2 3.48Å
237	S	85.1	Confident	86.5	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.014	12%	0.122	C	C	.	.	H	α-helix	trans	-63.6	-39.3	-170.3	-57.9	0	0	0	0	112.6	K208 M213 N235 R239 T240 L241	K208-S237 VanDerWaalsContact CD-OG 3.23Å; K208-S237 WeakPolarHBondContact CD-OG 3.38Å; M213-S237 WeakPolarHBondContact CE-O 3.11Å; N235-S237 PolarHBondContact O-N 2.89Å; N235-S237 PolarHBondContact O-OG 3.41Å; N235-S237 VanDerWaalsContact O-OG 3.1Å; S237-R239 VanDerWaalsContact C-N 3.33Å; S237-T240 PolarHBondContact O-N 3.49Å; S237-L241 PolarHBondContact O-N 3.14Å
238	K	88.3	Confident	86.4	Confident	9 Å²	9	20.9 Å²	20.9	4%	0.039	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-39.5	173	-61.6	172.4	-177.9	172	0	111.4	V231 G236 L241 M242 M259 E261 S264 L279 F304	V231-K238 HydrophobicContact CG2-CB 4.26Å; V231-K238 HydrophobicContact CG2-CG 3.42Å; V231-K238 VanDerWaalsContact CG2-CG 3.42Å; G236-K238 PolarHBondContact O-N 2.85Å; K238-L241 PolarHBondContact O-N 3.39Å; K238-M242 WeakPolarHBondContact O-CG 3.06Å; K238-M242 PolarHBondContact O-N 3.48Å; K238-M259 HydrophobicContact CB-SD 4.4Å; K238-M259 HydrophobicContact CD-SD 4.32Å; K238-M259 HydrophobicContact CG-SD 4.09Å; K238-E261 WeakPolarHBondContact CE-OE1 3.39Å; K238-E261 WeakPolarHBondContact CE-OE2 3.4Å; K238-E261 IonicContact NZ-OE1 3.31Å; K238-E261 IonicContact NZ-OE2 3.45Å; K238-E261 PolarHBondContact NZ-OE2 2.7Å; K238-S264 PolarHBondContact NZ-OG 3.33Å; K238-L279 HydrophobicContact CB-CD1 4.13Å; K238-L279 HydrophobicContact CB-CD2 3.85Å; K238-L279 HydrophobicContact CB-CG 4.45Å; K238-L279 HydrophobicContact CD-CD1 4.35Å; K238-L279 HydrophobicContact CD-CD2 4.24Å; K238-F304 HydrophobicContact CD-CE1 4.18Å; K238-F304 HydrophobicContact CD-CZ 4.18Å
239	R	87.1	Confident	86.2	Confident	34 Å²	34	26.4 Å²	26.4	13%	0.128	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-47.6	175.3	-177	-178.1	179.1	-165.9	-2.9	110.4	G236 S237 L241 M242 Q243 W280 G282 F290 S295 M299	G236-R239 CarbonylContact O-C 3.55Å; G236-R239 WeakPolarHBondContact O-CA 3.47Å; G236-R239 VanDerWaalsContact O-CB 3.29Å; G236-R239 WeakPolarHBondContact O-CB 3.49Å; G236-R239 PolarHBondContact O-N 3.28Å; S237-R239 VanDerWaalsContact C-N 3.33Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 3.21Å; R239-M242 PolarHBondContact O-N 2.77Å; R239-Q243 WeakPolarHBondContact O-CG 3.2Å; R239-Q243 PolarHBondContact O-N 3.31Å; R239-W280 PolarHBondContact NE-O 3.1Å; R239-G282 PolarHBondContact NH1-O 2.82Å; R239-F290 PolarHBondContact NH2-O 3.43Å; R239-S295 PolarHBondContact NE-OG 3.09Å; R239-S295 PolarHBondContact NH2-OG 2.83Å; R239-M299 HydrophobicContact CB-CE 4.1Å; R239-M299 HydrophobicContact CG-CE 4.12Å
240	T	88.1	Confident	86.1	Confident	15 Å²	15	26.4 Å²	26.4	9%	0.092	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-40.5	176.3	-48.9	0	0	0	0	111.7	L210 M213 G236 S237 Q243 A244	L210-T240 HydrophobicContact CB-CG2 3.92Å; L210-T240 HydrophobicContact CD1-CG2 3.87Å; M213-T240 HydrophobicContact CE-CG2 4.42Å; M213-T240 VanDerWaalsContact SD-C 3.51Å; M213-T240 HydrophobicContact SD-CG2 3.63Å; G236-T240 PolarHBondContact O-N 2.93Å; G236-T240 PolarHBondContact O-OG1 3.07Å; G236-T240 VanDerWaalsContact O-OG1 3.1Å; S237-T240 PolarHBondContact O-N 3.49Å; T240-Q243 PolarHBondContact O-N 3.31Å; T240-A244 PolarHBondContact O-N 2.81Å
241	L	91	Very high	86	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-45.8	177.3	179.6	60.1	0	0	0	111.2	L170 I205 M213 I217 A229 V231 S237 K238 R239 Q243 A244 V245 M259	L170-L241 HydrophobicContact CD2-CD1 4Å; L170-L241 HydrophobicContact CD2-CD2 4.42Å; I205-L241 HydrophobicContact CD1-CD1 4.11Å; M213-L241 HydrophobicContact CB-CD1 4.35Å; M213-L241 HydrophobicContact CE-CB 4.42Å; M213-L241 HydrophobicContact CG-CD1 4.48Å; M213-L241 WeakPolarHBondContact SD-CA 3.37Å; M213-L241 HydrophobicContact SD-CB 3.72Å; M213-L241 HydrophobicContact SD-CD1 4.34Å; M213-L241 PolarHBondContact SD-N 3.25Å; I217-L241 HydrophobicContact CD1-CD1 3.95Å; A229-L241 HydrophobicContact CB-CD2 4.06Å; V231-L241 HydrophobicContact CG1-CD2 3.95Å; S237-L241 PolarHBondContact O-N 3.14Å; K238-L241 PolarHBondContact O-N 3.39Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 3.21Å; L241-Q243 VanDerWaalsContact C-N 3.32Å; L241-Q243 PolarHBondContact O-N 3.03Å; L241-A244 WeakPolarHBondContact O-CB 3.45Å; L241-A244 PolarHBondContact O-N 3.33Å; L241-V245 WeakPolarHBondContact O-CG2 3.28Å; L241-V245 PolarHBondContact O-N 3.08Å; L241-M259 HydrophobicContact CD2-CE 3.75Å
242	M	92	Very high	86.1	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-70.4	-28.7	178.8	-61.7	-50	-58.2	0	0	112.6	K238 R239 V245 A246 Y257 M259 S298 M299 L302	K238-M242 WeakPolarHBondContact O-CG 3.06Å; K238-M242 PolarHBondContact O-N 3.48Å; R239-M242 PolarHBondContact O-N 2.77Å; M242-V245 HydrophobicContact CE-CB 4.31Å; M242-V245 HydrophobicContact CE-CG1 4.15Å; M242-V245 HydrophobicContact CE-CG2 4.38Å; M242-V245 WeakPolarHBondContact O-CB 3.37Å; M242-V245 PolarHBondContact O-N 3.47Å; M242-V245 HydrophobicContact SD-CG2 4.32Å; M242-A246 PolarHBondContact O-N 2.83Å; M242-Y257 HydrophobicContact CE-CD2 3.99Å; M242-Y257 HydrophobicContact CE-CE2 4.45Å; M242-Y257 HydrophobicContact CE-CG 4.19Å; M242-Y257 HydrophobicContact SD-CG 4.39Å; M242-M259 HydrophobicContact CG-CE 4.44Å; M242-M259 HydrophobicContact SD-CE 3.91Å; M242-S298 WeakPolarHBondContact CE-O 3.49Å; M242-S298 VanDerWaalsContact O-CB 3.31Å; M242-S298 WeakPolarHBondContact O-CB 3.35Å; M242-S298 PolarHBondContact O-OG 2.92Å; M242-M299 HydrophobicContact CB-CE 4.34Å; M242-M299 HydrophobicContact CB-CG 3.95Å; M242-M299 HydrophobicContact CG-CG 3.96Å; M242-L302 HydrophobicContact CE-CB 4.39Å; M242-L302 HydrophobicContact CG-CD2 4.19Å; M242-L302 HydrophobicContact SD-CD1 4.49Å; M242-L302 HydrophobicContact SD-CD2 4.36Å
243	Q	90.3	Very high	86.5	Confident	22 Å²	22	34.5 Å²	34.5	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-44	168.1	-72.9	170.4	-19.4	0	0	111.6	L210 R239 T240 L241 V245 A246 L247 F290	L210-Q243 HydrophobicContact CD1-CB 4.23Å; R239-Q243 WeakPolarHBondContact O-CG 3.2Å; R239-Q243 PolarHBondContact O-N 3.31Å; T240-Q243 PolarHBondContact O-N 3.31Å; L241-Q243 VanDerWaalsContact C-N 3.32Å; L241-Q243 PolarHBondContact O-N 3.03Å; Q243-V245 VanDerWaalsContact C-N 3.28Å; Q243-V245 PolarHBondContact O-N 2.91Å; Q243-A246 PolarHBondContact O-N 3.43Å; Q243-L247 WeakPolarHBondContact O-CG 3.09Å; Q243-L247 PolarHBondContact O-N 3.18Å; Q243-F290 HydrophobicContact CB-CD2 4.32Å; Q243-F290 HydrophobicContact CB-CE2 4.26Å; Q243-F290 HydrophobicContact CB-CZ 4.49Å; Q243-F290 HydrophobicContact CG-CB 4.3Å; Q243-F290 HydrophobicContact CG-CD1 4.13Å; Q243-F290 HydrophobicContact CG-CD2 4.03Å; Q243-F290 HydrophobicContact CG-CE2 4.42Å; Q243-F290 HydrophobicContact CG-CG 3.89Å
244	A	91.8	Very high	87.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-41.3	173.2	0	0	0	0	0	111.7	L210 M213 R214 I217 T240 L241 A246 L247 E248	L210-A244 HydrophobicContact CD1-CB 3.98Å; M213-A244 HydrophobicContact CB-CB 3.76Å; R214-A244 HydrophobicContact CB-CB 4.46Å; R214-A244 HydrophobicContact CG-CB 3.69Å; I217-A244 HydrophobicContact CG1-CB 4.13Å; T240-A244 PolarHBondContact O-N 2.81Å; L241-A244 WeakPolarHBondContact O-CB 3.45Å; L241-A244 PolarHBondContact O-N 3.33Å; A244-A246 VanDerWaalsContact C-N 3.35Å; A244-A246 PolarHBondContact O-N 2.71Å; A244-L247 PolarHBondContact O-N 3.44Å; A244-E248 WeakPolarHBondContact O-CG 3.22Å; A244-E248 PolarHBondContact O-N 3.39Å
245	V	93.8	Very high	88.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-45	174.5	166.8	0	0	0	0	111.8	I217 L241 M242 Q243 N249 A250 N251 Y257	I217-V245 HydrophobicContact CD1-CG2 3.53Å; I217-V245 HydrophobicContact CG1-CG2 3.97Å; L241-V245 WeakPolarHBondContact O-CG2 3.28Å; L241-V245 PolarHBondContact O-N 3.08Å; M242-V245 HydrophobicContact CE-CB 4.31Å; M242-V245 HydrophobicContact CE-CG1 4.15Å; M242-V245 HydrophobicContact CE-CG2 4.38Å; M242-V245 WeakPolarHBondContact O-CB 3.37Å; M242-V245 PolarHBondContact O-N 3.47Å; M242-V245 HydrophobicContact SD-CG2 4.32Å; Q243-V245 VanDerWaalsContact C-N 3.28Å; Q243-V245 PolarHBondContact O-N 2.91Å; V245-N249 PolarHBondContact O-N 2.85Å; V245-A250 VanDerWaalsContact CG1-C 3.49Å; V245-A250 HydrophobicContact CG1-CB 4.14Å; V245-A250 WeakPolarHBondContact CG1-O 3.27Å; V245-A250 PolarHBondContact O-N 3.37Å; V245-N251 HydrophobicContact CG1-CB 3.96Å; V245-Y257 HydrophobicContact CG1-CE1 4.29Å; V245-Y257 HydrophobicContact CG1-CE2 3.6Å; V245-Y257 VanDerWaalsContact CG1-CZ 3.47Å; V245-Y257 VanDerWaalsContact CG1-OH 3.28Å; V245-Y257 WeakPolarHBondContact CG1-OH 3.37Å; V245-Y257 HydrophobicContact CG2-CD1 4.28Å; V245-Y257 HydrophobicContact CG2-CE1 3.49Å; V245-Y257 VanDerWaalsContact CG2-CE1 3.49Å; V245-Y257 HydrophobicContact CG2-CE2 4.29Å
246	A	92.2	Very high	90.4	Very high	15 Å²	15	28 Å²	28	12%	0.124	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-44	177.7	0	0	0	0	0	112.6	M242 Q243 A244 E248 N249 F290	M242-A246 PolarHBondContact O-N 2.83Å; Q243-A246 PolarHBondContact O-N 3.43Å; A244-A246 VanDerWaalsContact C-N 3.35Å; A244-A246 PolarHBondContact O-N 2.71Å; A246-E248 PolarHBondContact O-N 3.44Å; A246-N249 PolarHBondContact O-N 2.9Å; A246-F290 HydrophobicContact CB-CE1 3.82Å; A246-F290 HydrophobicContact CB-CZ 4.01Å
247	L	92.5	Very high	91.3	Very high	65 Å²	65	27 Å²	27	34%	0.34	14%	0.144	S	C	.	.	H	α-helix	trans	-60.2	-33.2	178.1	-73.6	173.9	0	0	0	112.6	L210 R214 Q243 A244 N249 F290	L210-L247 HydrophobicContact CD1-CD1 4.27Å; L210-L247 HydrophobicContact CD2-CD1 3.98Å; L210-L247 HydrophobicContact CG-CD1 4.4Å; R214-L247 HydrophobicContact CG-CD1 4.47Å; Q243-L247 WeakPolarHBondContact O-CG 3.09Å; Q243-L247 PolarHBondContact O-N 3.18Å; A244-L247 PolarHBondContact O-N 3.44Å; L247-N249 VanDerWaalsContact C-N 3.32Å; L247-F290 HydrophobicContact CD1-CE2 4.12Å; L247-F290 HydrophobicContact CD2-CE2 3.74Å; L247-F290 HydrophobicContact CD2-CZ 3.88Å; L247-F290 HydrophobicContact CG-CE2 3.74Å; L247-F290 HydrophobicContact CG-CZ 3.81Å
248	E	93.2	Very high	91.8	Very high	32 Å²	32	26.9 Å²	26.9	15%	0.15	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	13	176.8	-60.1	-53.5	138.3	0	0	113.1	R214 I217 V218 K221 A244 A246 A250	R214-E248 HydrophobicContact CB-CG 4.42Å; R214-E248 HydrophobicContact CG-CG 4.49Å; R214-E248 IonicContact CZ-OE1 3.93Å; R214-E248 VanDerWaalsContact CZ-OE1 3.25Å; R214-E248 IonicContact NE-OE1 2.86Å; R214-E248 PolarHBondContact NE-OE1 2.58Å; R214-E248 IonicContact NH2-OE1 2.65Å; R214-E248 PolarHBondContact NH2-OE1 3.03Å; I217-E248 HydrophobicContact CB-CB 4.3Å; I217-E248 HydrophobicContact CB-CG 4.12Å; I217-E248 HydrophobicContact CG2-CB 3.63Å; I217-E248 HydrophobicContact CG2-CG 4.02Å; V218-E248 HydrophobicContact CG2-CG 4.16Å; V218-E248 WeakPolarHBondContact CG2-OE2 3.42Å; K221-E248 HydrophobicContact CD-CB 4.39Å; K221-E248 PolarHBondContact NZ-O 3.21Å; A244-E248 WeakPolarHBondContact O-CG 3.22Å; A244-E248 PolarHBondContact O-N 3.39Å; A246-E248 PolarHBondContact O-N 3.44Å; E248-A250 PolarHBondContact O-N 2.81Å
249	N	92.2	Very high	92.1	Very high	116 Å²	116	26.4 Å²	26.4	62%	0.62	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	33	-179	-67.3	-55.9	0	0	0	114	V245 A246 L247 N252	V245-N249 PolarHBondContact O-N 2.85Å; A246-N249 PolarHBondContact O-N 2.9Å; L247-N249 VanDerWaalsContact C-N 3.32Å; N249-N252 PolarHBondContact O-ND2 3.21Å; N249-N252 VanDerWaalsContact O-ND2 3.12Å
250	A	92.5	Very high	92.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.			trans	-102.3	16.5	-179.5	0	0	0	0	0	113	I217 K221 V245 E248 Y255 Y257	I217-A250 HydrophobicContact CG2-CB 3.83Å; K221-A250 HydrophobicContact CD-CB 3.97Å; K221-A250 HydrophobicContact CG-CB 4.11Å; V245-A250 VanDerWaalsContact CG1-C 3.49Å; V245-A250 HydrophobicContact CG1-CB 4.14Å; V245-A250 WeakPolarHBondContact CG1-O 3.27Å; V245-A250 PolarHBondContact O-N 3.37Å; E248-A250 PolarHBondContact O-N 2.81Å; A250-Y255 HydrophobicContact CB-CD1 4.35Å; A250-Y255 HydrophobicContact CB-CD2 4.5Å; A250-Y255 HydrophobicContact CB-CE1 4.21Å; A250-Y255 HydrophobicContact CB-CE2 4.4Å; A250-Y255 HydrophobicContact CB-CG 4.49Å; A250-Y255 VanDerWaalsContact O-CB 3.25Å; A250-Y255 WeakPolarHBondContact O-CB 3.45Å; A250-Y255 VanDerWaalsContact O-CG 3.28Å; A250-Y257 VanDerWaalsContact CB-OH 3.31Å; A250-Y257 WeakPolarHBondContact CB-OH 3.43Å; A250-Y257 VanDerWaalsContact O-CE2 3.31Å; A250-Y257 WeakPolarHBondContact O-CE2 3.36Å; A250-Y257 PolarHBondContact O-OH 3.45Å
251	N	91	Very high	92.1	Very high	45 Å²	45	24.1 Å²	24.1	24%	0.241	13%	0.132	C	C	.	.			trans	-101.1	14.7	172.6	62.8	-27.8	0	0	0	113.2	V245 N301	V245-N251 HydrophobicContact CG1-CB 3.96Å; N251-N301 PolarHBondContact O-ND2 2.88Å; N251-N301 VanDerWaalsContact O-ND2 3.1Å
252	N	90.4	Very high	91.5	Very high	63 Å²	63	24.6 Å²	24.6	34%	0.337	14%	0.135	S	C	.	.	S	Bend	trans	-81.2	178	179.4	70.4	44.8	0	0	0	112.1	N249 E254 Y255 N301	N249-N252 PolarHBondContact O-ND2 3.21Å; N249-N252 VanDerWaalsContact O-ND2 3.12Å; N252-E254 PolarHBondContact O-N 2.98Å; N252-E254 VanDerWaalsContact OD1-CB 3.29Å; N252-E254 WeakPolarHBondContact OD1-CB 3.36Å; N252-E254 PolarHBondContact OD1-N 3.01Å; N252-Y255 PolarHBondContact O-N 3.14Å; N252-Y255 VanDerWaalsContact OD1-CD2 3.32Å; N252-Y255 WeakPolarHBondContact OD1-CD2 3.32Å; N252-N301 PolarHBondContact O-ND2 3.37Å
253	S	89.8	Confident	90.8	Very high	67 Å²	67	26.1 Å²	26.1	47%	0.469	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.3	-176.1	57.2	0	0	0	0	115.8
254	E	91	Very high	90.1	Very high	73 Å²	73	25.4 Å²	25.4	34%	0.341	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-16.7	176.5	-58.4	-164.6	146	0	0	113.5	R225 N252	R225-E254 VanDerWaalsContact CB-O 3.31Å; R225-E254 WeakPolarHBondContact CB-O 3.48Å; R225-E254 WeakPolarHBondContact CD-O 3.03Å; R225-E254 IonicContact CZ-OE2 3.93Å; R225-E254 IonicContact NE-OE2 3.15Å; R225-E254 PolarHBondContact NE-OE2 3.49Å; R225-E254 IonicContact NH2-OE2 2.78Å; R225-E254 PolarHBondContact NH2-OE2 3.22Å; N252-E254 PolarHBondContact O-N 2.98Å; N252-E254 VanDerWaalsContact OD1-CB 3.29Å; N252-E254 WeakPolarHBondContact OD1-CB 3.36Å; N252-E254 PolarHBondContact OD1-N 3.01Å
255	Y	93.9	Very high	89.4	Confident	6 Å²	6	28.7 Å²	28.7	2%	0.024	15%	0.153	C	C	.	.			trans	-114.1	145.3	-169.9	-63.7	-99.1	0	0	0	112.1	K221 R225 I227 A250 N252 N301	K221-Y255 HydrophobicContact CG-CE1 3.98Å; R225-Y255 VanDerWaalsContact CD-CE1 3.42Å; R225-Y255 VanDerWaalsContact CD-CZ 3.44Å; R225-Y255 PolarHBondContact NE-OH 3.05Å; R225-Y255 PolarHBondContact NH1-OH 3.34Å; R225-Y255 PolarHBondContact NH2-OH 3.46Å; R225-Y255 WeakPolarHBondContact O-CA 3.32Å; I227-Y255 HydrophobicContact CD1-CD1 3.89Å; A250-Y255 HydrophobicContact CB-CD1 4.35Å; A250-Y255 HydrophobicContact CB-CD2 4.5Å; A250-Y255 HydrophobicContact CB-CE1 4.21Å; A250-Y255 HydrophobicContact CB-CE2 4.4Å; A250-Y255 HydrophobicContact CB-CG 4.49Å; A250-Y255 VanDerWaalsContact O-CB 3.25Å; A250-Y255 WeakPolarHBondContact O-CB 3.45Å; A250-Y255 VanDerWaalsContact O-CG 3.28Å; N252-Y255 PolarHBondContact O-N 3.14Å; N252-Y255 VanDerWaalsContact OD1-CD2 3.32Å; N252-Y255 WeakPolarHBondContact OD1-CD2 3.32Å; Y255-N301 VanDerWaalsContact O-CB 3.29Å; Y255-N301 WeakPolarHBondContact O-CB 3.34Å; Y255-N301 PolarHBondContact O-ND2 2.77Å
256	V	95.3	Very high	89	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.2	165.7	65.8	0	0	0	0	109.4	W164 R225 I226 I227 L303 W451 P457	W164-V256 HydrophobicContact CH2-CB 4.32Å; W164-V256 HydrophobicContact CH2-CG1 3.73Å; W164-V256 HydrophobicContact CH2-CG2 4.04Å; W164-V256 HydrophobicContact CZ2-CB 4.5Å; W164-V256 HydrophobicContact CZ2-CG1 3.85Å; W164-V256 HydrophobicContact CZ3-CG1 4.09Å; R225-V256 PolarHBondContact O-N 3.18Å; R225-V256 VanDerWaalsContact O-N 3.09Å; I226-V256 HydrophobicContact CB-CG1 4.21Å; I226-V256 HydrophobicContact CD1-CG1 3.48Å; I226-V256 VanDerWaalsContact CD1-CG1 3.48Å; I226-V256 HydrophobicContact CG1-CG1 4.39Å; I226-V256 HydrophobicContact CG2-CG1 3.82Å; I227-V256 PolarHBondContact N-O 3.39Å; V256-L303 HydrophobicContact CG2-CD1 3.83Å; V256-L303 HydrophobicContact CG2-CG 4.09Å; V256-W451 HydrophobicContact CB-CH2 4.41Å; V256-W451 HydrophobicContact CG2-CH2 4.01Å; V256-W451 HydrophobicContact CG2-CZ3 4.2Å; V256-P457 HydrophobicContact CB-CG 4.31Å
257	Y	96.1	Very high	88.8	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.9	177.5	-62	-95.6	0	0	0	108.7	I227 M242 V245 A250 N301 L302 L303	I227-Y257 HydrophobicContact CB-CD1 3.84Å; I227-Y257 HydrophobicContact CB-CE1 4.02Å; I227-Y257 HydrophobicContact CD1-CD1 4.04Å; I227-Y257 HydrophobicContact CD1-CE1 3.33Å; I227-Y257 HydrophobicContact CG1-CE1 4.27Å; I227-Y257 HydrophobicContact CG2-CD1 3.87Å; I227-Y257 HydrophobicContact CG2-CE1 4.06Å; I227-Y257 CarbonylContact O-C 3.46Å; I227-Y257 VanDerWaalsContact O-CA 3.26Å; I227-Y257 WeakPolarHBondContact O-CA 3.26Å; M242-Y257 HydrophobicContact CE-CD2 3.99Å; M242-Y257 HydrophobicContact CE-CE2 4.45Å; M242-Y257 HydrophobicContact CE-CG 4.19Å; M242-Y257 HydrophobicContact SD-CG 4.39Å; V245-Y257 HydrophobicContact CG1-CE1 4.29Å; V245-Y257 HydrophobicContact CG1-CE2 3.6Å; V245-Y257 VanDerWaalsContact CG1-CZ 3.47Å; V245-Y257 VanDerWaalsContact CG1-OH 3.28Å; V245-Y257 WeakPolarHBondContact CG1-OH 3.37Å; V245-Y257 HydrophobicContact CG2-CD1 4.28Å; V245-Y257 HydrophobicContact CG2-CE1 3.49Å; V245-Y257 VanDerWaalsContact CG2-CE1 3.49Å; V245-Y257 HydrophobicContact CG2-CE2 4.29Å; A250-Y257 VanDerWaalsContact CB-OH 3.31Å; A250-Y257 WeakPolarHBondContact CB-OH 3.43Å; A250-Y257 VanDerWaalsContact O-CE2 3.31Å; A250-Y257 WeakPolarHBondContact O-CE2 3.36Å; A250-Y257 PolarHBondContact O-OH 3.45Å; Y257-N301 PolarHBondContact N-O 3.16Å; Y257-L302 CarbonylContact O-C 3.51Å; Y257-L302 WeakPolarHBondContact O-CA 3.5Å; Y257-L303 PolarHBondContact O-N 2.8Å
258	I	96.3	Very high	88.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.7	178.9	-54.7	174	0	0	0	107.7	T158 L159 W164 I226 I227 V228 A229 L303 L305	T158-I258 HydrophobicContact CG2-CD1 4.15Å; L159-I258 HydrophobicContact CD2-CD1 4.2Å; W164-I258 HydrophobicContact CE3-CD1 4.34Å; W164-I258 HydrophobicContact CZ3-CD1 3.88Å; I226-I258 HydrophobicContact CG2-CD1 4.35Å; I227-I258 PolarHBondContact O-N 3.22Å; V228-I258 CarbonylContact C-O 3.54Å; V228-I258 VanDerWaalsContact CA-O 3.31Å; V228-I258 WeakPolarHBondContact CA-O 3.34Å; V228-I258 HydrophobicContact CG2-CB 4.32Å; A229-I258 PolarHBondContact N-O 3.3Å; I258-L303 CarbonylContact C-O 3.55Å; I258-L303 WeakPolarHBondContact CA-O 3.5Å; I258-L305 HydrophobicContact CG2-CD1 3.62Å; I258-L305 HydrophobicContact CG2-CG 3.87Å
259	M	94.3	Very high	88	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.2	174.8	-69.2	-178.4	-167.5	0	0	109.7	A229 K238 L241 M242 L302 L303 F304 L305	A229-M259 HydrophobicContact CB-CE 4.2Å; A229-M259 HydrophobicContact CB-CG 4.1Å; A229-M259 WeakPolarHBondContact O-CA 3.07Å; K238-M259 HydrophobicContact CB-SD 4.4Å; K238-M259 HydrophobicContact CD-SD 4.32Å; K238-M259 HydrophobicContact CG-SD 4.09Å; L241-M259 HydrophobicContact CD2-CE 3.75Å; M242-M259 HydrophobicContact CG-CE 4.44Å; M242-M259 HydrophobicContact SD-CE 3.91Å; M259-L302 HydrophobicContact CB-CD1 4.31Å; M259-L302 HydrophobicContact CE-CD1 3.77Å; M259-L302 HydrophobicContact CE-CD2 4.34Å; M259-L302 HydrophobicContact CG-CD1 3.76Å; M259-L302 HydrophobicContact SD-CD1 3.83Å; M259-L302 HydrophobicContact SD-CD2 4.25Å; M259-L303 PolarHBondContact N-O 3.18Å; M259-F304 HydrophobicContact CB-CD1 3.72Å; M259-F304 HydrophobicContact CB-CE1 3.61Å; M259-F304 HydrophobicContact CG-CE1 4.34Å; M259-F304 WeakPolarHBondContact O-CA 3.3Å; M259-F304 HydrophobicContact SD-CE1 3.91Å; M259-F304 HydrophobicContact SD-CZ 4.1Å; M259-L305 PolarHBondContact O-N 3.09Å
260	A	90.4	Very high	87.4	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.2	176.5	0	0	0	0	0	109.9	L151 I155 L183 L305	L151-A260 HydrophobicContact CB-CB 4.12Å; L151-A260 HydrophobicContact CD1-CB 4.43Å; L151-A260 HydrophobicContact CD2-CB 4.16Å; L151-A260 HydrophobicContact CG-CB 4.48Å; I155-A260 HydrophobicContact CD1-CB 3.81Å; I155-A260 HydrophobicContact CG1-CB 4.02Å; L183-A260 HydrophobicContact CD2-CB 4.29Å; A260-L305 CarbonylContact C-O 3.58Å; A260-L305 VanDerWaalsContact CA-O 3.29Å; A260-L305 WeakPolarHBondContact CA-O 3.49Å; A260-L305 HydrophobicContact CB-CB 4.08Å; A260-L305 HydrophobicContact CB-CD1 4.5Å
261	E	84.7	Confident	86.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.4	-167.8	-67.8	-82.2	143.4	0	0	110.7	K179 S233 K238 F304 L305 V306	K179-E261 IonicContact NZ-OE1 2.65Å; K179-E261 PolarHBondContact NZ-OE1 3.06Å; K179-E261 IonicContact NZ-OE2 2.9Å; K179-E261 PolarHBondContact NZ-OE2 3.22Å; S233-E261 PolarHBondContact OG-OE2 3.28Å; K238-E261 WeakPolarHBondContact CE-OE1 3.39Å; K238-E261 WeakPolarHBondContact CE-OE2 3.4Å; K238-E261 IonicContact NZ-OE1 3.31Å; K238-E261 IonicContact NZ-OE2 3.45Å; K238-E261 PolarHBondContact NZ-OE2 2.7Å; E261-F304 HydrophobicContact CG-CD1 4.3Å; E261-F304 HydrophobicContact CG-CE1 4.29Å; E261-L305 PolarHBondContact N-O 3.43Å; E261-V306 HydrophobicContact CB-CG1 4.13Å; E261-V306 WeakPolarHBondContact O-CA 3.32Å
262	T	78	Confident	86.4	Confident	11 Å²	11	28.5 Å²	28.5	7%	0.067	15%	0.152	C	C	.	.	S	Bend	trans	-74.8	-37.8	172.8	50.9	0	0	0	0	111.8	L151 Y352	L151-T262 HydrophobicContact CD1-CG2 3.52Å; L151-T262 HydrophobicContact CG-CG2 4.26Å; T262-Y352 PolarHBondContact O-OH 3.45Å
263	N	76.5	Confident	85.9	Confident	32 Å²	32	26.2 Å²	26.2	17%	0.171	14%	0.143	C	C	.	.	S	Bend	trans	-114.8	57.3	-171.9	-175.2	9.9	0	0	0	112.4	L126 K351 Y352	L126-N263 HydrophobicContact CD2-CB 3.72Å; N263-K351 WeakPolarHBondContact OD1-CD 3.38Å; N263-K351 PolarHBondContact OD1-NZ 3.34Å; N263-K351 VanDerWaalsContact OD1-NZ 3.13Å; N263-Y352 VanDerWaalsContact CA-OH 3.26Å; N263-Y352 WeakPolarHBondContact CA-OH 3.43Å; N263-Y352 HydrophobicContact CB-CE2 4.42Å; N263-Y352 WeakPolarHBondContact CB-OH 3.25Å; N263-Y352 PolarHBondContact N-OH 3.15Å
264	S	77	Confident	85.4	Confident	8 Å²	8	25 Å²	25	6%	0.056	14%	0.141	C	C	.	.			trans	-152.8	141.9	-179.6	-158.8	0	0	0	0	110.8	K238 G266 V306	K238-S264 PolarHBondContact NZ-OG 3.33Å; S264-G266 PolarHBondContact O-N 3.39Å; S264-G266 PolarHBondContact OG-O 3.01Å; S264-V306 VanDerWaalsContact O-CB 3.28Å; S264-V306 WeakPolarHBondContact O-CB 3.42Å; S264-V306 VanDerWaalsContact O-CG1 3.26Å; S264-V306 WeakPolarHBondContact O-CG1 3.33Å
265	R	77.5	Confident	85	Confident	68 Å²	68	26.1 Å²	26.1	26%	0.257	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-94.5	43.4	166.1	-69.2	-171.4	173.9	170.9	-1.6	110.9	F267 V268 E270 M309 M311	R265-F267 PolarHBondContact O-N 3.33Å; R265-F267 VanDerWaalsContact O-N 3.12Å; R265-V268 HydrophobicContact CB-CB 4.16Å; R265-V268 PolarHBondContact O-N 3.45Å; R265-E270 WeakPolarHBondContact CD-OE1 3.49Å; R265-E270 IonicContact CZ-OE1 3.47Å; R265-E270 IonicContact NE-OE1 2.84Å; R265-E270 PolarHBondContact NE-OE1 2.99Å; R265-E270 IonicContact NH1-OE1 3.1Å; R265-E270 PolarHBondContact NH1-OE1 3.35Å; R265-E270 IonicContact NH2-OE1 3.3Å; R265-M309 HydrophobicContact CG-CE 3.39Å; R265-M309 VanDerWaalsContact NE-CE 3.32Å; R265-M311 PolarHBondContact NH2-SD 2.98Å
266	G	85	Confident	84.5	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-110	-173.6	0	0	0	0	0	112.3	S264 V268 F304	S264-G266 PolarHBondContact O-N 3.39Å; S264-G266 PolarHBondContact OG-O 3.01Å; G266-V268 VanDerWaalsContact C-N 3.3Å; G266-V268 PolarHBondContact O-N 3.26Å; G266-F304 VanDerWaalsContact CA-CG 3.5Å
267	F	88.3	Confident	84.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.4	-177.4	-64.9	-80.1	0	0	0	114.6	R265 Y278 L279 W280 M299 L302 F304 I416 L418 P424	R265-F267 PolarHBondContact O-N 3.33Å; R265-F267 VanDerWaalsContact O-N 3.12Å; F267-Y278 CarbonylContact O-C 3.58Å; F267-Y278 WeakPolarHBondContact O-CA 3.28Å; F267-L279 WeakPolarHBondContact O-CB 3.49Å; F267-L279 PolarHBondContact O-N 3.46Å; F267-W280 HydrophobicContact CB-CH2 4.31Å; F267-W280 HydrophobicContact CB-CZ3 3.86Å; F267-W280 HydrophobicContact CD1-CE3 4.23Å; F267-W280 AromaticContact CD1-CZ3 3.62Å; F267-W280 HydrophobicContact CD1-CZ3 3.62Å; F267-W280 HydrophobicContact CE1-CZ3 4.46Å; F267-W280 AromaticContact CG-CZ3 3.95Å; F267-W280 HydrophobicContact CG-CZ3 3.95Å; F267-M299 HydrophobicContact CD1-SD 4.47Å; F267-M299 HydrophobicContact CE1-CB 4.16Å; F267-L302 HydrophobicContact CE1-CB 4.26Å; F267-L302 HydrophobicContact CE1-CD2 3.97Å; F267-L302 HydrophobicContact CE1-CG 4.25Å; F267-L302 HydrophobicContact CZ-CB 4.21Å; F267-L302 HydrophobicContact CZ-CD2 4.48Å; F267-L302 HydrophobicContact CZ-CG 4.28Å; F267-L302 WeakPolarHBondContact CZ-O 3.44Å; F267-F304 HydrophobicContact CD1-CD2 4.2Å; F267-F304 AromaticContact CD1-CE2 3.76Å; F267-F304 HydrophobicContact CD1-CE2 3.76Å; F267-F304 AromaticContact CD2-CD2 3.92Å; F267-F304 HydrophobicContact CD2-CD2 3.92Å; F267-F304 HydrophobicContact CD2-CE2 4.3Å; F267-F304 HydrophobicContact CE1-CD2 4.06Å; F267-F304 AromaticContact CE1-CE2 3.75Å; F267-F304 HydrophobicContact CE1-CE2 3.75Å; F267-F304 AromaticContact CE2-CD2 3.76Å; F267-F304 HydrophobicContact CE2-CD2 3.76Å; F267-F304 HydrophobicContact CE2-CE2 4.28Å; F267-F304 HydrophobicContact CG-CD2 4.14Å; F267-F304 HydrophobicContact CG-CE2 4.05Å; F267-F304 AromaticContact CZ-CD2 3.83Å; F267-F304 HydrophobicContact CZ-CD2 3.83Å; F267-F304 HydrophobicContact CZ-CE2 4.02Å; F267-I416 HydrophobicContact CD2-CG2 3.97Å; F267-I416 HydrophobicContact CE2-CG2 4.13Å; F267-L418 HydrophobicContact CD1-CD2 4.2Å; F267-L418 HydrophobicContact CD2-CD2 3.98Å; F267-L418 HydrophobicContact CE1-CD1 4.13Å; F267-L418 HydrophobicContact CE1-CD2 4.11Å; F267-L418 HydrophobicContact CE1-CG 3.95Å; F267-L418 HydrophobicContact CE2-CD2 3.91Å; F267-L418 HydrophobicContact CE2-CG 4.02Å; F267-L418 HydrophobicContact CG-CD2 4.13Å; F267-L418 HydrophobicContact CZ-CD1 4.3Å; F267-L418 HydrophobicContact CZ-CD2 3.97Å; F267-L418 HydrophobicContact CZ-CG 3.68Å; F267-P424 HydrophobicContact CB-CB 4.41Å; F267-P424 HydrophobicContact CB-CG 3.73Å; F267-P424 HydrophobicContact CD2-CB 4Å; F267-P424 HydrophobicContact CD2-CG 4.04Å; F267-P424 HydrophobicContact CG-CG 4.16Å
268	V	85.2	Confident	83.7	Confident	35 Å²	35	36.9 Å²	36.9	21%	0.212	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.2	178.5	-179	0	0	0	0	109.8	R265 G266 E270 W276 Y278	R265-V268 HydrophobicContact CB-CB 4.16Å; R265-V268 PolarHBondContact O-N 3.45Å; G266-V268 VanDerWaalsContact C-N 3.3Å; G266-V268 PolarHBondContact O-N 3.26Å; V268-E270 HydrophobicContact CG1-CG 4.48Å; V268-W276 HydrophobicContact CG1-CB 3.89Å; V268-W276 HydrophobicContact CG1-CD2 4.35Å; V268-W276 HydrophobicContact CG1-CE3 4.09Å; V268-W276 HydrophobicContact CG1-CG 4.3Å; V268-Y278 HydrophobicContact CG2-CD1 4.28Å; V268-Y278 HydrophobicContact CG2-CE1 4.16Å
269	V	83.3	Confident	83.2	Confident	39 Å²	39	37.5 Å²	37.5	24%	0.236	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.7	172.5	-177.9	0	0	0	0	107.9	W276 H277 L279	V269-W276 VanDerWaalsContact O-CA 3.26Å; V269-W276 WeakPolarHBondContact O-CA 3.28Å; V269-H277 PolarHBondContact N-O 3.11Å; V269-H277 PolarHBondContact O-N 2.86Å; V269-L279 HydrophobicContact CG2-CB 4.28Å; V269-L279 HydrophobicContact CG2-CD1 3.67Å
270	E	79.4	Confident	82.8	Confident	40 Å²	40	37.9 Å²	37.9	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.3	178.2	-66.6	177.1	144.2	0	0	110.1	V39 R265 V268 K351	V39-E270 HydrophobicContact CG1-CB 4.16Å; R265-E270 WeakPolarHBondContact CD-OE1 3.49Å; R265-E270 IonicContact CZ-OE1 3.47Å; R265-E270 IonicContact NE-OE1 2.84Å; R265-E270 PolarHBondContact NE-OE1 2.99Å; R265-E270 IonicContact NH1-OE1 3.1Å; R265-E270 PolarHBondContact NH1-OE1 3.35Å; R265-E270 IonicContact NH2-OE1 3.3Å; V268-E270 HydrophobicContact CG1-CG 4.48Å; E270-K351 WeakPolarHBondContact OE2-CD 3.31Å; E270-K351 WeakPolarHBondContact OE2-CE 3.12Å; E270-K351 VanDerWaalsContact OE2-CG 3.28Å; E270-K351 WeakPolarHBondContact OE2-CG 3.36Å; E270-K351 IonicContact OE2-NZ 3.9Å; E270-K351 PolarHBondContact OE2-NZ 3.21Å
271	E	79.5	Confident	82.5	Confident	90 Å²	90	41.9 Å²	41.9	42%	0.421	21%	0.211	S	C	.	.			trans	-105.8	167.2	176.4	-68	-176.1	-177.9	0	0	110.6	G274 K275 H277	E271-G274 PolarHBondContact O-N 3.26Å; E271-K275 HydrophobicContact CB-CB 4Å; E271-K275 PolarHBondContact N-O 3.45Å; E271-H277 IonicContact OE1-CE1 3.07Å; E271-H277 PolarHBondContact OE1-CE1 3.28Å; E271-H277 IonicContact OE1-CG 2.76Å; E271-H277 IonicContact OE1-ND1 3.26Å; E271-H277 PolarHBondContact OE1-ND1 3.02Å
272	V	81.6	Confident	81.7	Confident	64 Å²	64	42.6 Å²	42.6	39%	0.388	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-57.6	136.8	175.4	174.4	0	0	0	0	110.3	V39 E345	V39-V272 HydrophobicContact CG2-CG2 3.73Å; V272-E345 HydrophobicContact CB-CB 4.49Å; V272-E345 HydrophobicContact CG1-CB 3Å; V272-E345 HydrophobicContact CG1-CG 4.44Å
273	G	81.1	Confident	80.7	Confident	15 Å²	15	51.8 Å²	51.8	16%	0.155	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	76.8	20.9	-177.7	0	0	0	0	0	115.8	K275 E344 S347	G273-K275 PolarHBondContact O-N 3.21Å; G273-E344 WeakPolarHBondContact CA-O 3.41Å; G273-S347 WeakPolarHBondContact CA-OG 3.45Å; G273-S347 PolarHBondContact O-OG 3.04Å
274	G	78.5	Confident	79.8	Confident	42 Å²	42	54.7 Å²	54.7	43%	0.433	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	77.7	5.1	174.1	0	0	0	0	0	114.8	E271	E271-G274 PolarHBondContact O-N 3.26Å
275	K	84.1	Confident	78.6	Confident	96 Å²	96	62.4 Å²	62.4	42%	0.417	31%	0.309	S	S	.	.			trans	-67.7	154.5	168.2	-68.3	171.3	-173.5	161.4	0	109.4	E271 G273 E344	E271-K275 HydrophobicContact CB-CB 4Å; E271-K275 PolarHBondContact N-O 3.45Å; G273-K275 PolarHBondContact O-N 3.21Å; K275-E344 WeakPolarHBondContact CE-OE1 3.42Å; K275-E344 VanDerWaalsContact NZ-CD 3.26Å; K275-E344 IonicContact NZ-OE1 3.24Å; K275-E344 PolarHBondContact NZ-OE1 3.46Å; K275-E344 IonicContact NZ-OE2 3.72Å; K275-E344 PolarHBondContact NZ-OE2 3.12Å
276	W	83.2	Confident	77.3	Confident	146 Å²	146	65.9 Å²	65.9	55%	0.553	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.6	176.4	62.2	-91.8	0	0	0	110.1	V268 V269 Y278	V268-W276 HydrophobicContact CG1-CB 3.89Å; V268-W276 HydrophobicContact CG1-CD2 4.35Å; V268-W276 HydrophobicContact CG1-CE3 4.09Å; V268-W276 HydrophobicContact CG1-CG 4.3Å; V269-W276 VanDerWaalsContact O-CA 3.26Å; V269-W276 WeakPolarHBondContact O-CA 3.28Å; W276-Y278 HydrophobicContact CH2-CE2 4.13Å; W276-Y278 HydrophobicContact CZ3-CD2 4.02Å; W276-Y278 HydrophobicContact CZ3-CE1 4.22Å; W276-Y278 AromaticContact CZ3-CE2 3.71Å; W276-Y278 HydrophobicContact CZ3-CE2 3.71Å; W276-Y278 HydrophobicContact CZ3-CG 4.42Å; W276-Y278 AromaticContact CZ3-CZ 3.82Å
277	H	86.2	Confident	75.6	Confident	33 Å²	33	69.9 Å²	69.9	15%	0.153	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.3	171.2	63	-92.2	0	0	0	109.5	V269 E271 E281	V269-H277 PolarHBondContact N-O 3.11Å; V269-H277 PolarHBondContact O-N 2.86Å; E271-H277 IonicContact OE1-CE1 3.07Å; E271-H277 PolarHBondContact OE1-CE1 3.28Å; E271-H277 IonicContact OE1-CG 2.76Å; E271-H277 IonicContact OE1-ND1 3.26Å; E271-H277 PolarHBondContact OE1-ND1 3.02Å; H277-E281 HydrophobicContact CB-CB 4.42Å
278	Y	87.3	Confident	74	Confident	53 Å²	53	78.2 Å²	78.2	21%	0.208	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	147.7	172.4	-70.1	-69.6	0	0	0	111.2	F267 V268 W276 W280 E281 P424	F267-Y278 CarbonylContact O-C 3.58Å; F267-Y278 WeakPolarHBondContact O-CA 3.28Å; V268-Y278 HydrophobicContact CG2-CD1 4.28Å; V268-Y278 HydrophobicContact CG2-CE1 4.16Å; W276-Y278 HydrophobicContact CH2-CE2 4.13Å; W276-Y278 HydrophobicContact CZ3-CD2 4.02Å; W276-Y278 HydrophobicContact CZ3-CE1 4.22Å; W276-Y278 AromaticContact CZ3-CE2 3.71Å; W276-Y278 HydrophobicContact CZ3-CE2 3.71Å; W276-Y278 HydrophobicContact CZ3-CG 4.42Å; W276-Y278 AromaticContact CZ3-CZ 3.82Å; Y278-W280 VanDerWaalsContact CB-CZ2 3.41Å; Y278-W280 AromaticContact CD1-CH2 3.58Å; Y278-W280 HydrophobicContact CD1-CH2 3.58Å; Y278-W280 AromaticContact CD1-CZ2 3.5Å; Y278-W280 HydrophobicContact CD1-CZ2 3.5Å; Y278-W280 VanDerWaalsContact CD1-CZ2 3.5Å; Y278-W280 HydrophobicContact CD1-CZ3 4.41Å; Y278-W280 AromaticContact CD2-CZ2 3.69Å; Y278-W280 HydrophobicContact CD2-CZ2 3.69Å; Y278-W280 HydrophobicContact CE1-CH2 4.17Å; Y278-W280 HydrophobicContact CE1-CZ2 4.13Å; Y278-W280 HydrophobicContact CE2-CZ2 4.28Å; Y278-W280 HydrophobicContact CG-CD2 4.5Å; Y278-W280 AromaticContact CG-CE2 3.63Å; Y278-W280 AromaticContact CG-CH2 3.82Å; Y278-W280 HydrophobicContact CG-CH2 3.82Å; Y278-W280 AromaticContact CG-CZ2 3.24Å; Y278-W280 HydrophobicContact CG-CZ2 3.24Å; Y278-W280 AromaticContact CG-NE1 3.97Å; Y278-W280 PolarHBondContact O-N 2.73Å; Y278-E281 PolarHBondContact N-OE2 2.76Å; Y278-E281 WeakPolarHBondContact O-CB 3.26Å; Y278-E281 PolarHBondContact O-N 2.74Å; Y278-P424 HydrophobicContact CD1-CG 4.34Å; Y278-P424 HydrophobicContact CE1-CG 3.86Å
279	L	86.7	Confident	73.1	Confident	14 Å²	14	81 Å²	81	7%	0.073	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.9	-176.6	-173.7	65.5	0	0	0	114.2	K238 F267 V269 E281 M299 F304	K238-L279 HydrophobicContact CB-CD1 4.13Å; K238-L279 HydrophobicContact CB-CD2 3.85Å; K238-L279 HydrophobicContact CB-CG 4.45Å; K238-L279 HydrophobicContact CD-CD1 4.35Å; K238-L279 HydrophobicContact CD-CD2 4.24Å; F267-L279 WeakPolarHBondContact O-CB 3.49Å; F267-L279 PolarHBondContact O-N 3.46Å; V269-L279 HydrophobicContact CG2-CB 4.28Å; V269-L279 HydrophobicContact CG2-CD1 3.67Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-M299 HydrophobicContact CB-CE 4.44Å; L279-M299 HydrophobicContact CB-SD 4.34Å; L279-M299 HydrophobicContact CD2-CE 4.02Å; L279-M299 HydrophobicContact CD2-SD 4.02Å; L279-M299 HydrophobicContact CG-CE 3.94Å; L279-M299 HydrophobicContact CG-SD 4.28Å; L279-F304 HydrophobicContact CD2-CE2 4.26Å; L279-F304 HydrophobicContact CD2-CZ 3.91Å
280	W	86.2	Confident	72.8	Confident	8 Å²	8	80.8 Å²	80.8	3%	0.03	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.3	177.6	51.9	77.5	0	0	0	114.6	R239 F267 Y278 R296 M299 L418 P424	R239-W280 PolarHBondContact NE-O 3.1Å; F267-W280 HydrophobicContact CB-CH2 4.31Å; F267-W280 HydrophobicContact CB-CZ3 3.86Å; F267-W280 HydrophobicContact CD1-CE3 4.23Å; F267-W280 AromaticContact CD1-CZ3 3.62Å; F267-W280 HydrophobicContact CD1-CZ3 3.62Å; F267-W280 HydrophobicContact CE1-CZ3 4.46Å; F267-W280 AromaticContact CG-CZ3 3.95Å; F267-W280 HydrophobicContact CG-CZ3 3.95Å; Y278-W280 VanDerWaalsContact CB-CZ2 3.41Å; Y278-W280 AromaticContact CD1-CH2 3.58Å; Y278-W280 HydrophobicContact CD1-CH2 3.58Å; Y278-W280 AromaticContact CD1-CZ2 3.5Å; Y278-W280 HydrophobicContact CD1-CZ2 3.5Å; Y278-W280 VanDerWaalsContact CD1-CZ2 3.5Å; Y278-W280 HydrophobicContact CD1-CZ3 4.41Å; Y278-W280 AromaticContact CD2-CZ2 3.69Å; Y278-W280 HydrophobicContact CD2-CZ2 3.69Å; Y278-W280 HydrophobicContact CE1-CH2 4.17Å; Y278-W280 HydrophobicContact CE1-CZ2 4.13Å; Y278-W280 HydrophobicContact CE2-CZ2 4.28Å; Y278-W280 HydrophobicContact CG-CD2 4.5Å; Y278-W280 AromaticContact CG-CE2 3.63Å; Y278-W280 AromaticContact CG-CH2 3.82Å; Y278-W280 HydrophobicContact CG-CH2 3.82Å; Y278-W280 AromaticContact CG-CZ2 3.24Å; Y278-W280 HydrophobicContact CG-CZ2 3.24Å; Y278-W280 AromaticContact CG-NE1 3.97Å; Y278-W280 PolarHBondContact O-N 2.73Å; W280-R296 HydrophobicContact CB-CB 4.23Å; W280-R296 HydrophobicContact CD2-CB 4.05Å; W280-R296 HydrophobicContact CD2-CG 3.92Å; W280-R296 HydrophobicContact CE3-CG 4.22Å; W280-R296 HydrophobicContact CG-CB 3.88Å; W280-R296 HydrophobicContact CG-CG 4.28Å; W280-R296 HydrophobicContact CZ2-CG 4.38Å; W280-M299 HydrophobicContact CB-CE 4.23Å; W280-M299 HydrophobicContact CB-SD 4.21Å; W280-M299 HydrophobicContact CE3-SD 3.89Å; W280-L418 HydrophobicContact CH2-CD2 4.03Å; W280-L418 HydrophobicContact CZ3-CD1 4.37Å; W280-L418 HydrophobicContact CZ3-CD2 3.93Å; W280-P424 HydrophobicContact CH2-CG 4.23Å
281	E	82.5	Confident	73.1	Confident	85 Å²	85	81.4 Å²	81.4	40%	0.397	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-23	-179.1	-62.1	170.8	166.7	0	0	113	H277 Y278 L279 K283 T292	H277-E281 HydrophobicContact CB-CB 4.42Å; Y278-E281 PolarHBondContact N-OE2 2.76Å; Y278-E281 WeakPolarHBondContact O-CB 3.26Å; Y278-E281 PolarHBondContact O-N 2.74Å; L279-E281 VanDerWaalsContact C-N 3.34Å; E281-K283 PolarHBondContact O-N 3Å; E281-T292 HydrophobicContact CG-CG2 3.83Å
282	G	67.8	Low	73.3	Confident	14 Å²	14	80.5 Å²	80.5	14%	0.144	43%	0.427	C	S	.	.			trans	-64.9	128.3	-171.1	0	0	0	0	0	113.6	R239	R239-G282 PolarHBondContact NH1-O 2.82Å
283	K	58.7	Low	73.6	Confident	205 Å²	205	81 Å²	81	89%	0.891	43%	0.425	S	S	*	.			trans	-81.8	128.9	-177.7	-65.4	-177.8	179.4	-179.5	0	111.6	E281	E281-K283 PolarHBondContact O-N 3Å
284	F	56.2	Low	73.9	Confident	93 Å²	93	83.9 Å²	83.9	41%	0.408	44%	0.437	S	S	.	.			trans	-107.6	142.3	160.4	-122.9	-56.8	0	0	0	107.8	N235 G236 D286	N235-F284 HydrophobicContact CB-CE2 4.46Å; N235-F284 HydrophobicContact CB-CZ 3.97Å; N235-F284 WeakPolarHBondContact O-CE2 3.42Å; N235-F284 WeakPolarHBondContact O-CZ 3.41Å; G236-F284 VanDerWaalsContact CA-CD2 3.48Å; F284-D286 PolarHBondContact O-N 3.23Å; F284-D286 VanDerWaalsContact O-N 3.13Å
285	D	53.2	Low	74.3	Confident	170 Å²	170	81.9 Å²	81.9	91%	0.909	42%	0.417	S	S	*	.	S	Bend	trans	-67.1	-5.3	-178.8	-87.8	-29.3	0	0	0	114.8
286	D	50.2	Low	74.5	Confident	140 Å²	140	80 Å²	80	75%	0.749	41%	0.407	S	S	*	.	S	Bend	trans	-111.7	101.8	-177.7	-82.6	-31.9	0	0	0	113.4	F284	F284-D286 PolarHBondContact O-N 3.23Å; F284-D286 VanDerWaalsContact O-N 3.13Å
287	S	47.8	Very low	74.8	Confident	85 Å²	85	75.2 Å²	75.2	59%	0.594	39%	0.394	S	S	*	.			trans	75.2	106.6	157.9	74.1	0	0	0	0	119.4	T289	S287-T289 PolarHBondContact O-N 3.11Å; S287-T289 PolarHBondContact O-OG1 3.46Å
288	D	55.7	Low	74.9	Confident	175 Å²	175	73.7 Å²	73.7	94%	0.936	39%	0.387	S	S	*	.			trans	-67	47.1	-177.4	-139.7	7.5	0	0	0	115.1
289	T	66	Low	75.1	Confident	93 Å²	93	71.2 Å²	71.2	57%	0.571	38%	0.377	S	S	*	.			trans	-93.7	-23.5	-172.2	43.3	0	0	0	0	115.6	S287	S287-T289 PolarHBondContact O-N 3.11Å; S287-T289 PolarHBondContact O-OG1 3.46Å
290	F	76.7	Confident	75.2	Confident	35 Å²	35	72 Å²	72	15%	0.154	39%	0.385	C	S	.	.	S	Bend	trans	-119.3	127.3	-177.3	-86	-107	0	0	0	111.1	R239 Q243 A246 L247 D294	R239-F290 PolarHBondContact NH2-O 3.43Å; Q243-F290 HydrophobicContact CB-CD2 4.32Å; Q243-F290 HydrophobicContact CB-CE2 4.26Å; Q243-F290 HydrophobicContact CB-CZ 4.49Å; Q243-F290 HydrophobicContact CG-CB 4.3Å; Q243-F290 HydrophobicContact CG-CD1 4.13Å; Q243-F290 HydrophobicContact CG-CD2 4.03Å; Q243-F290 HydrophobicContact CG-CE2 4.42Å; Q243-F290 HydrophobicContact CG-CG 3.89Å; A246-F290 HydrophobicContact CB-CE1 3.82Å; A246-F290 HydrophobicContact CB-CZ 4.01Å; L247-F290 HydrophobicContact CD1-CE2 4.12Å; L247-F290 HydrophobicContact CD2-CE2 3.74Å; L247-F290 HydrophobicContact CD2-CZ 3.88Å; L247-F290 HydrophobicContact CG-CE2 3.74Å; L247-F290 HydrophobicContact CG-CZ 3.81Å; F290-D294 HydrophobicContact CB-CB 4.32Å; F290-D294 HydrophobicContact CD1-CB 3.48Å; F290-D294 VanDerWaalsContact CD1-CB 3.48Å; F290-D294 HydrophobicContact CE1-CB 4.18Å; F290-D294 HydrophobicContact CG-CB 4.28Å
291	S	85	Confident	75.4	Confident	54 Å²	54	71.9 Å²	71.9	38%	0.378	39%	0.386	S	S	.	.			trans	-64.7	163.3	168	74.3	0	0	0	0	110.9	E293 D294 S295	S291-E293 PolarHBondContact O-N 2.9Å; S291-E293 PolarHBondContact OG-N 3.43Å; S291-D294 VanDerWaalsContact CB-OD2 3.27Å; S291-D294 WeakPolarHBondContact CB-OD2 3.35Å; S291-D294 PolarHBondContact N-OD2 2.85Å; S291-D294 PolarHBondContact O-N 2.98Å; S291-D294 PolarHBondContact OG-N 3.24Å; S291-D294 PolarHBondContact OG-OD2 3.46Å; S291-S295 WeakPolarHBondContact O-CB 3.27Å; S291-S295 PolarHBondContact O-N 3.3Å; S291-S295 PolarHBondContact O-OG 2.77Å
292	T	84.7	Confident	76	Confident	70 Å²	70	67.9 Å²	67.9	43%	0.429	37%	0.367	S	S	.	.	H	α-helix	trans	-54.7	-38.3	171.9	-53.1	0	0	0	0	111	E281 S295 R296	E281-T292 HydrophobicContact CG-CG2 3.83Å; T292-S295 PolarHBondContact O-N 3.27Å; T292-R296 WeakPolarHBondContact O-CB 3.44Å; T292-R296 PolarHBondContact O-N 3.12Å
293	E	86.7	Confident	77.3	Confident	74 Å²	74	67.6 Å²	67.6	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-72.3	-38.2	179.8	-170.1	57.1	-155.7	0	0	112.6	S291 S295 R296 T297 R422	S291-E293 PolarHBondContact O-N 2.9Å; S291-E293 PolarHBondContact OG-N 3.43Å; E293-S295 VanDerWaalsContact C-N 3.29Å; E293-S295 PolarHBondContact O-N 3.32Å; E293-R296 PolarHBondContact O-N 3.3Å; E293-R296 IonicContact OE1-CZ 3.49Å; E293-R296 IonicContact OE1-NE 3.51Å; E293-R296 PolarHBondContact OE1-NE 3.48Å; E293-R296 IonicContact OE1-NH2 3.58Å; E293-R296 PolarHBondContact OE1-NH2 3.39Å; E293-R296 IonicContact OE2-CZ 2.97Å; E293-R296 IonicContact OE2-NE 3.84Å; E293-R296 PolarHBondContact OE2-NE 2.9Å; E293-R296 IonicContact OE2-NH2 3.78Å; E293-R296 PolarHBondContact OE2-NH2 3.24Å; E293-T297 WeakPolarHBondContact O-CB 3.48Å; E293-T297 PolarHBondContact O-N 2.87Å; E293-T297 PolarHBondContact O-OG1 3.27Å; E293-R422 IonicContact OE1-CZ 2.81Å; E293-R422 IonicContact OE1-NH1 2.63Å; E293-R422 PolarHBondContact OE1-NH1 3.19Å
294	D	87.6	Confident	79	Confident	76 Å²	76	57.8 Å²	57.8	41%	0.406	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-38.6	174.6	-58.1	-43.4	0	0	0	110.6	F290 S291 T297 S298	F290-D294 HydrophobicContact CB-CB 4.32Å; F290-D294 HydrophobicContact CD1-CB 3.48Å; F290-D294 VanDerWaalsContact CD1-CB 3.48Å; F290-D294 HydrophobicContact CE1-CB 4.18Å; F290-D294 HydrophobicContact CG-CB 4.28Å; S291-D294 VanDerWaalsContact CB-OD2 3.27Å; S291-D294 WeakPolarHBondContact CB-OD2 3.35Å; S291-D294 PolarHBondContact N-OD2 2.85Å; S291-D294 PolarHBondContact O-N 2.98Å; S291-D294 PolarHBondContact OG-N 3.24Å; S291-D294 PolarHBondContact OG-OD2 3.46Å; D294-T297 PolarHBondContact O-N 2.89Å; D294-S298 PolarHBondContact O-N 3.43Å
295	S	87.5	Confident	80.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-38.2	175.5	-56.2	0	0	0	0	111.6	R239 S291 T292 E293 S298 M299	R239-S295 PolarHBondContact NE-OG 3.09Å; R239-S295 PolarHBondContact NH2-OG 2.83Å; S291-S295 WeakPolarHBondContact O-CB 3.27Å; S291-S295 PolarHBondContact O-N 3.3Å; S291-S295 PolarHBondContact O-OG 2.77Å; T292-S295 PolarHBondContact O-N 3.27Å; E293-S295 VanDerWaalsContact C-N 3.29Å; E293-S295 PolarHBondContact O-N 3.32Å; S295-S298 PolarHBondContact O-OG 3.22Å; S295-M299 WeakPolarHBondContact O-CG 3.17Å
296	R	89.4	Confident	82.4	Confident	57 Å²	57	45.4 Å²	45.4	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-39.9	173.4	-171.8	170.2	69.3	142.9	0	111.5	W280 T292 E293 M299 R422	W280-R296 HydrophobicContact CB-CB 4.23Å; W280-R296 HydrophobicContact CD2-CB 4.05Å; W280-R296 HydrophobicContact CD2-CG 3.92Å; W280-R296 HydrophobicContact CE3-CG 4.22Å; W280-R296 HydrophobicContact CG-CB 3.88Å; W280-R296 HydrophobicContact CG-CG 4.28Å; W280-R296 HydrophobicContact CZ2-CG 4.38Å; T292-R296 WeakPolarHBondContact O-CB 3.44Å; T292-R296 PolarHBondContact O-N 3.12Å; E293-R296 PolarHBondContact O-N 3.3Å; E293-R296 IonicContact OE1-CZ 3.49Å; E293-R296 IonicContact OE1-NE 3.51Å; E293-R296 PolarHBondContact OE1-NE 3.48Å; E293-R296 IonicContact OE1-NH2 3.58Å; E293-R296 PolarHBondContact OE1-NH2 3.39Å; E293-R296 IonicContact OE2-CZ 2.97Å; E293-R296 IonicContact OE2-NE 3.84Å; E293-R296 PolarHBondContact OE2-NE 2.9Å; E293-R296 IonicContact OE2-NH2 3.78Å; E293-R296 PolarHBondContact OE2-NH2 3.24Å; R296-M299 PolarHBondContact O-N 3.36Å; R296-R422 HydrophobicContact CG-CB 4.21Å
297	T	88.1	Confident	84	Confident	46 Å²	46	39 Å²	39	28%	0.282	22%	0.223	S	C	.	.	H	α-helix	trans	-66.6	-38.3	178.3	-53.8	0	0	0	0	111.8	E293 D294 M299 A300 R422	E293-T297 WeakPolarHBondContact O-CB 3.48Å; E293-T297 PolarHBondContact O-N 2.87Å; E293-T297 PolarHBondContact O-OG1 3.27Å; D294-T297 PolarHBondContact O-N 2.89Å; T297-M299 PolarHBondContact O-N 3.43Å; T297-A300 WeakPolarHBondContact O-CB 3.48Å; T297-A300 PolarHBondContact O-N 3.3Å; T297-R422 PolarHBondContact OG1-NH1 3.05Å
298	S	88.2	Confident	85.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-23	178.2	73.2	0	0	0	0	113.1	M242 D294 S295	M242-S298 WeakPolarHBondContact CE-O 3.49Å; M242-S298 VanDerWaalsContact O-CB 3.31Å; M242-S298 WeakPolarHBondContact O-CB 3.35Å; M242-S298 PolarHBondContact O-OG 2.92Å; D294-S298 PolarHBondContact O-N 3.43Å; S295-S298 PolarHBondContact O-OG 3.22Å
299	M	91.1	Very high	85.9	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.2	179.8	-64.5	179.8	-169.2	0	0	114.3	R239 M242 F267 L279 W280 S295 R296 T297 N301 L302 L418	R239-M299 HydrophobicContact CB-CE 4.1Å; R239-M299 HydrophobicContact CG-CE 4.12Å; M242-M299 HydrophobicContact CB-CE 4.34Å; M242-M299 HydrophobicContact CB-CG 3.95Å; M242-M299 HydrophobicContact CG-CG 3.96Å; F267-M299 HydrophobicContact CD1-SD 4.47Å; F267-M299 HydrophobicContact CE1-CB 4.16Å; L279-M299 HydrophobicContact CB-CE 4.44Å; L279-M299 HydrophobicContact CB-SD 4.34Å; L279-M299 HydrophobicContact CD2-CE 4.02Å; L279-M299 HydrophobicContact CD2-SD 4.02Å; L279-M299 HydrophobicContact CG-CE 3.94Å; L279-M299 HydrophobicContact CG-SD 4.28Å; W280-M299 HydrophobicContact CB-CE 4.23Å; W280-M299 HydrophobicContact CB-SD 4.21Å; W280-M299 HydrophobicContact CE3-SD 3.89Å; S295-M299 WeakPolarHBondContact O-CG 3.17Å; R296-M299 PolarHBondContact O-N 3.36Å; T297-M299 PolarHBondContact O-N 3.43Å; M299-N301 PolarHBondContact O-N 3.1Å; M299-L302 HydrophobicContact CB-CB 4.49Å; M299-L302 HydrophobicContact CG-CD2 4.45Å; M299-L302 VanDerWaalsContact O-CB 3.29Å; M299-L302 WeakPolarHBondContact O-CB 3.42Å; M299-L302 PolarHBondContact O-N 3.4Å; M299-L418 HydrophobicContact CB-CD1 4.23Å
300	A	89.4	Confident	85.5	Confident	30 Å²	30	24.2 Å²	24.2	25%	0.248	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.2	-174.4	0	0	0	0	0	115.3	T297	T297-A300 WeakPolarHBondContact O-CB 3.48Å; T297-A300 PolarHBondContact O-N 3.3Å
301	N	91.7	Very high	85	Confident	7 Å²	7	23.1 Å²	23.1	4%	0.037	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	18.6	176.6	-56.8	-15.1	0	0	0	112.7	N251 N252 Y255 Y257 M299 R454	N251-N301 PolarHBondContact O-ND2 2.88Å; N251-N301 VanDerWaalsContact O-ND2 3.1Å; N252-N301 PolarHBondContact O-ND2 3.37Å; Y255-N301 VanDerWaalsContact O-CB 3.29Å; Y255-N301 WeakPolarHBondContact O-CB 3.34Å; Y255-N301 PolarHBondContact O-ND2 2.77Å; Y257-N301 PolarHBondContact N-O 3.16Å; M299-N301 PolarHBondContact O-N 3.1Å; N301-R454 VanDerWaalsContact OD1-CZ 3.29Å; N301-R454 PolarHBondContact OD1-NH1 3.07Å; N301-R454 PolarHBondContact OD1-NH2 2.74Å
302	L	94.1	Very high	83.9	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.2	176.8	-178.6	57.4	0	0	0	109.8	M242 Y257 M259 F267 M299 F304	M242-L302 HydrophobicContact CE-CB 4.39Å; M242-L302 HydrophobicContact CG-CD2 4.19Å; M242-L302 HydrophobicContact SD-CD1 4.49Å; M242-L302 HydrophobicContact SD-CD2 4.36Å; Y257-L302 CarbonylContact O-C 3.51Å; Y257-L302 WeakPolarHBondContact O-CA 3.5Å; M259-L302 HydrophobicContact CB-CD1 4.31Å; M259-L302 HydrophobicContact CE-CD1 3.77Å; M259-L302 HydrophobicContact CE-CD2 4.34Å; M259-L302 HydrophobicContact CG-CD1 3.76Å; M259-L302 HydrophobicContact SD-CD1 3.83Å; M259-L302 HydrophobicContact SD-CD2 4.25Å; F267-L302 HydrophobicContact CE1-CB 4.26Å; F267-L302 HydrophobicContact CE1-CD2 3.97Å; F267-L302 HydrophobicContact CE1-CG 4.25Å; F267-L302 HydrophobicContact CZ-CB 4.21Å; F267-L302 HydrophobicContact CZ-CD2 4.48Å; F267-L302 HydrophobicContact CZ-CG 4.28Å; F267-L302 WeakPolarHBondContact CZ-O 3.44Å; M299-L302 HydrophobicContact CB-CB 4.49Å; M299-L302 HydrophobicContact CG-CD2 4.45Å; M299-L302 VanDerWaalsContact O-CB 3.29Å; M299-L302 WeakPolarHBondContact O-CB 3.42Å; M299-L302 PolarHBondContact O-N 3.4Å; L302-F304 HydrophobicContact CD2-CD2 4.29Å; L302-F304 HydrophobicContact CD2-CE2 3.46Å; L302-F304 VanDerWaalsContact CD2-CE2 3.46Å; L302-F304 HydrophobicContact CD2-CZ 3.66Å; L302-F304 HydrophobicContact CG-CD2 4.24Å; L302-F304 HydrophobicContact CG-CE2 3.9Å; L302-F304 HydrophobicContact CG-CZ 4.29Å
303	L	95	Very high	82.7	Confident	7 Å²	7	24.2 Å²	24.2	4%	0.037	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.6	169.3	-61.4	178.2	0	0	0	108.5	W164 V256 Y257 I258 M259 M415 I416 Y427	W164-L303 HydrophobicContact CH2-CD1 4.48Å; V256-L303 HydrophobicContact CG2-CD1 3.83Å; V256-L303 HydrophobicContact CG2-CG 4.09Å; Y257-L303 PolarHBondContact O-N 2.8Å; I258-L303 CarbonylContact C-O 3.55Å; I258-L303 WeakPolarHBondContact CA-O 3.5Å; M259-L303 PolarHBondContact N-O 3.18Å; L303-M415 HydrophobicContact CD1-SD 4.32Å; L303-I416 CarbonylContact C-O 3.54Å; L303-I416 WeakPolarHBondContact CA-O 3.29Å; L303-Y427 HydrophobicContact CD2-CD2 4.3Å; L303-Y427 HydrophobicContact CD2-CE2 4.44Å
304	F	93.8	Very high	81.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.9	172.8	-83.3	-71.7	0	0	0	110.1	K238 M259 E261 G266 F267 L279 L302 V306 M415 I416	K238-F304 HydrophobicContact CD-CE1 4.18Å; K238-F304 HydrophobicContact CD-CZ 4.18Å; M259-F304 HydrophobicContact CB-CD1 3.72Å; M259-F304 HydrophobicContact CB-CE1 3.61Å; M259-F304 HydrophobicContact CG-CE1 4.34Å; M259-F304 WeakPolarHBondContact O-CA 3.3Å; M259-F304 HydrophobicContact SD-CE1 3.91Å; M259-F304 HydrophobicContact SD-CZ 4.1Å; E261-F304 HydrophobicContact CG-CD1 4.3Å; E261-F304 HydrophobicContact CG-CE1 4.29Å; G266-F304 VanDerWaalsContact CA-CG 3.5Å; F267-F304 HydrophobicContact CD1-CD2 4.2Å; F267-F304 AromaticContact CD1-CE2 3.76Å; F267-F304 HydrophobicContact CD1-CE2 3.76Å; F267-F304 AromaticContact CD2-CD2 3.92Å; F267-F304 HydrophobicContact CD2-CD2 3.92Å; F267-F304 HydrophobicContact CD2-CE2 4.3Å; F267-F304 HydrophobicContact CE1-CD2 4.06Å; F267-F304 AromaticContact CE1-CE2 3.75Å; F267-F304 HydrophobicContact CE1-CE2 3.75Å; F267-F304 AromaticContact CE2-CD2 3.76Å; F267-F304 HydrophobicContact CE2-CD2 3.76Å; F267-F304 HydrophobicContact CE2-CE2 4.28Å; F267-F304 HydrophobicContact CG-CD2 4.14Å; F267-F304 HydrophobicContact CG-CE2 4.05Å; F267-F304 AromaticContact CZ-CD2 3.83Å; F267-F304 HydrophobicContact CZ-CD2 3.83Å; F267-F304 HydrophobicContact CZ-CE2 4.02Å; L279-F304 HydrophobicContact CD2-CE2 4.26Å; L279-F304 HydrophobicContact CD2-CZ 3.91Å; L302-F304 HydrophobicContact CD2-CD2 4.29Å; L302-F304 HydrophobicContact CD2-CE2 3.46Å; L302-F304 VanDerWaalsContact CD2-CE2 3.46Å; L302-F304 HydrophobicContact CD2-CZ 3.66Å; L302-F304 HydrophobicContact CG-CD2 4.24Å; L302-F304 HydrophobicContact CG-CE2 3.9Å; L302-F304 HydrophobicContact CG-CZ 4.29Å; F304-V306 HydrophobicContact CB-CG1 4.08Å; F304-V306 HydrophobicContact CD1-CG1 4.49Å; F304-M415 CarbonylContact O-C 3.54Å; F304-M415 VanDerWaalsContact O-CA 3.3Å; F304-M415 WeakPolarHBondContact O-CA 3.47Å; F304-I416 HydrophobicContact CB-CB 4.39Å; F304-I416 PolarHBondContact N-O 3.35Å; F304-I416 PolarHBondContact O-N 2.95Å
305	L	93.7	Very high	81.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	108.3	166.5	-59.6	178.2	0	0	0	107	A154 I155 T158 I258 M259 A260 E261 I413 I414 M415 L430	A154-L305 HydrophobicContact CB-CD1 4.16Å; I155-L305 HydrophobicContact CB-CD1 4.41Å; I155-L305 HydrophobicContact CG1-CD1 3.78Å; T158-L305 WeakPolarHBondContact OG1-CD2 3.3Å; I258-L305 HydrophobicContact CG2-CD1 3.62Å; I258-L305 HydrophobicContact CG2-CG 3.87Å; M259-L305 PolarHBondContact O-N 3.09Å; A260-L305 CarbonylContact C-O 3.58Å; A260-L305 VanDerWaalsContact CA-O 3.29Å; A260-L305 WeakPolarHBondContact CA-O 3.49Å; A260-L305 HydrophobicContact CB-CB 4.08Å; A260-L305 HydrophobicContact CB-CD1 4.5Å; E261-L305 PolarHBondContact N-O 3.43Å; L305-I413 HydrophobicContact CB-CG2 3.84Å; L305-I414 WeakPolarHBondContact CA-O 3.43Å; L305-M415 HydrophobicContact CD2-CB 3.77Å; L305-M415 HydrophobicContact CD2-CG 3.76Å; L305-M415 HydrophobicContact CD2-SD 4.39Å; L305-L430 HydrophobicContact CD2-CD1 4.07Å
306	V	88.5	Confident	80.8	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.5	-172.5	-65.1	0	0	0	0	112.1	E261 S264 F304 I413 I414 I416	E261-V306 HydrophobicContact CB-CG1 4.13Å; E261-V306 WeakPolarHBondContact O-CA 3.32Å; S264-V306 VanDerWaalsContact O-CB 3.28Å; S264-V306 WeakPolarHBondContact O-CB 3.42Å; S264-V306 VanDerWaalsContact O-CG1 3.26Å; S264-V306 WeakPolarHBondContact O-CG1 3.33Å; F304-V306 HydrophobicContact CB-CG1 4.08Å; F304-V306 HydrophobicContact CD1-CG1 4.49Å; V306-I413 CarbonylContact O-C 3.51Å; V306-I413 WeakPolarHBondContact O-CA 3.12Å; V306-I414 HydrophobicContact CG2-CD1 3.92Å; V306-I414 HydrophobicContact CG2-CG1 3.46Å; V306-I414 VanDerWaalsContact CG2-CG1 3.46Å; V306-I414 PolarHBondContact N-O 3.11Å; V306-I414 WeakPolarHBondContact O-CG1 3.35Å; V306-I414 PolarHBondContact O-N 2.97Å; V306-I416 HydrophobicContact CG2-CD1 3.63Å; V306-I416 HydrophobicContact CG2-CG1 4.29Å
307	D	83.3	Confident	80.6	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.027	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	130.3	163	179.4	9.5	0	0	0	107.9	V146 M309 R409	V146-D307 HydrophobicContact CB-CB 4.1Å; V146-D307 HydrophobicContact CG2-CB 3.72Å; V146-D307 VanDerWaalsContact CG2-OD2 3.28Å; V146-D307 WeakPolarHBondContact CG2-OD2 3.41Å; D307-M309 PolarHBondContact O-N 3.16Å; D307-M309 VanDerWaalsContact O-N 3.14Å; D307-M309 PolarHBondContact OD1-N 3.37Å; D307-R409 IonicContact OD1-NH2 2.76Å; D307-R409 IonicContact OD2-NH2 3.91Å
308	N	73.3	Confident	80.4	Confident	28 Å²	28	31.4 Å²	31.4	15%	0.15	19%	0.185	C	C	.	.			trans	-75.7	8.5	174	-151.8	15.6	0	0	0	112.5	G310 M311 N312 N313 I414	N308-G310 PolarHBondContact O-N 3.27Å; N308-G310 VanDerWaalsContact O-N 3.13Å; N308-M311 WeakPolarHBondContact CB-O 3.4Å; N308-M311 PolarHBondContact ND2-O 3.31Å; N308-M311 WeakPolarHBondContact O-CB 3.27Å; N308-M311 PolarHBondContact O-N 2.76Å; N308-N312 PolarHBondContact ND2-O 2.81Å; N308-N313 PolarHBondContact ND2-N 3.17Å; N308-N313 PolarHBondContact ND2-OD1 3.22Å; N308-I414 HydrophobicContact CB-CD1 4.2Å
309	M	71.2	Confident	80.3	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	31.4	172	-57.5	176.8	-70.6	0	0	112.9	R265 D307 M311 K351 Y352	R265-M309 HydrophobicContact CG-CE 3.39Å; R265-M309 VanDerWaalsContact NE-CE 3.32Å; D307-M309 PolarHBondContact O-N 3.16Å; D307-M309 VanDerWaalsContact O-N 3.14Å; D307-M309 PolarHBondContact OD1-N 3.37Å; M309-M311 VanDerWaalsContact C-N 3.33Å; M309-K351 HydrophobicContact CE-CB 4.42Å; M309-K351 HydrophobicContact CE-CD 4.19Å; M309-K351 HydrophobicContact SD-CB 3.72Å; M309-K351 HydrophobicContact SD-CD 3.77Å; M309-K351 HydrophobicContact SD-CG 4.28Å; M309-Y352 HydrophobicContact CB-CD1 4.42Å; M309-Y352 HydrophobicContact CB-CE1 4.34Å; M309-Y352 HydrophobicContact CG-CD1 4.35Å; M309-Y352 HydrophobicContact CG-CE1 3.81Å; M309-Y352 HydrophobicContact SD-CE1 4.29Å
310	G	57.6	Low	80.2	Confident	14 Å²	14	37.1 Å²	37.1	14%	0.144	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	9.6	-177	0	0	0	0	0	114.7	N308 G397	N308-G310 PolarHBondContact O-N 3.27Å; N308-G310 VanDerWaalsContact O-N 3.13Å; G310-G397 WeakPolarHBondContact O-CA 3.45Å; G310-G397 PolarHBondContact O-N 3.24Å
311	M	64.8	Low	80.3	Confident	13 Å²	13	40 Å²	40	6%	0.064	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-95.5	158	172.1	-64.8	-176	61.3	0	0	111.4	R265 N308 M309 V315 Y319	R265-M311 PolarHBondContact NH2-SD 2.98Å; N308-M311 WeakPolarHBondContact CB-O 3.4Å; N308-M311 PolarHBondContact ND2-O 3.31Å; N308-M311 WeakPolarHBondContact O-CB 3.27Å; N308-M311 PolarHBondContact O-N 2.76Å; M309-M311 VanDerWaalsContact C-N 3.33Å; M311-V315 HydrophobicContact CE-CB 4.24Å; M311-V315 HydrophobicContact CE-CG1 3.96Å; M311-V315 HydrophobicContact CE-CG2 3.81Å; M311-Y319 HydrophobicContact CE-CD1 3.36Å; M311-Y319 HydrophobicContact CE-CD2 4.38Å; M311-Y319 HydrophobicContact CE-CE1 3.43Å; M311-Y319 VanDerWaalsContact CE-CE1 3.43Å; M311-Y319 HydrophobicContact CE-CE2 4.43Å; M311-Y319 HydrophobicContact CE-CG 3.87Å; M311-Y319 HydrophobicContact CG-CD1 4.48Å; M311-Y319 HydrophobicContact CG-CD2 3.86Å; M311-Y319 HydrophobicContact CG-CE1 4.31Å; M311-Y319 HydrophobicContact CG-CE2 3.65Å; M311-Y319 HydrophobicContact CG-CG 4.26Å; M311-Y319 HydrophobicContact SD-CD1 3.91Å; M311-Y319 HydrophobicContact SD-CD2 4.23Å; M311-Y319 HydrophobicContact SD-CE1 3.42Å; M311-Y319 WeakPolarHBondContact SD-CE1 3.49Å; M311-Y319 HydrophobicContact SD-CE2 3.77Å; M311-Y319 HydrophobicContact SD-CG 4.29Å
312	N	61.7	Low	80.3	Confident	55 Å²	55	40.3 Å²	40.3	29%	0.294	23%	0.226	S	C	.	.			trans	-78.5	162.7	163.9	-79.4	-21.3	0	0	0	110.6	N308 V314 T316 G397 G398 G399	N308-N312 PolarHBondContact ND2-O 2.81Å; N312-V314 WeakPolarHBondContact CB-O 3.48Å; N312-V314 PolarHBondContact O-N 3.47Å; N312-T316 HydrophobicContact CB-CG2 4.26Å; N312-G397 PolarHBondContact ND2-O 3.48Å; N312-G398 PolarHBondContact ND2-O 3.27Å; N312-G399 PolarHBondContact ND2-N 3.44Å; N312-G399 WeakPolarHBondContact OD1-CA 3.3Å
313	N	60.9	Low	80.1	Confident	91 Å²	91	41.2 Å²	41.2	49%	0.487	23%	0.233	S	C	.	.	S	Bend	trans	-55.6	-24.8	174.9	-70.9	-15.2	0	0	0	112.5	N308	N308-N313 PolarHBondContact ND2-N 3.17Å; N308-N313 PolarHBondContact ND2-OD1 3.22Å
314	V	66.8	Low	80	Confident	110 Å²	110	46.6 Å²	46.6	67%	0.667	26%	0.256	S	S	*	.	S	Bend	trans	-110.6	129.4	173.3	-175.2	0	0	0	0	107.8	N312 T316	N312-V314 WeakPolarHBondContact CB-O 3.48Å; N312-V314 PolarHBondContact O-N 3.47Å; V314-T316 PolarHBondContact O-N 3.3Å
315	V	73.3	Confident	80.1	Confident	72 Å²	72	48.6 Å²	48.6	44%	0.436	27%	0.267	S	S	.	.			trans	-61.3	112.2	172.9	-173.4	0	0	0	0	108.4	M311 Y319 L320	M311-V315 HydrophobicContact CE-CB 4.24Å; M311-V315 HydrophobicContact CE-CG1 3.96Å; M311-V315 HydrophobicContact CE-CG2 3.81Å; V315-Y319 HydrophobicContact CG1-CD1 4.08Å; V315-L320 HydrophobicContact CG1-CD1 4.38Å; V315-L320 HydrophobicContact CG1-CD2 3.68Å; V315-L320 HydrophobicContact CG1-CG 3.75Å
316	T	80.7	Confident	80.1	Confident	20 Å²	20	48.6 Å²	48.6	12%	0.123	27%	0.267	C	S	.	.			trans	-78.3	150.6	-177.8	56.2	0	0	0	0	110.9	N312 V314 Q318 Y319 L320 G397	N312-T316 HydrophobicContact CB-CG2 4.26Å; V314-T316 PolarHBondContact O-N 3.3Å; T316-Q318 PolarHBondContact O-N 2.84Å; T316-Y319 PolarHBondContact O-N 2.89Å; T316-Y319 VanDerWaalsContact O-N 3.1Å; T316-Y319 WeakPolarHBondContact OG1-CB 3.44Å; T316-Y319 PolarHBondContact OG1-N 3.3Å; T316-L320 PolarHBondContact O-N 3.19Å; T316-L320 VanDerWaalsContact O-N 3.08Å; T316-G397 WeakPolarHBondContact CG2-O 3.48Å; T316-G397 PolarHBondContact OG1-O 3.13Å
317	P	85.1	Confident	80.3	Confident	109 Å²	109	50.5 Å²	50.5	71%	0.708	28%	0.276	S	S	*	.	H	α-helix	trans	-55.1	-32.6	170.7	-25.6	34.7	0	0	0	112.6	L320 N321	P317-L320 PolarHBondContact O-N 3.1Å; P317-N321 WeakPolarHBondContact O-CB 3.37Å; P317-N321 PolarHBondContact O-N 2.99Å
318	Q	85.1	Confident	80.8	Confident	94 Å²	94	55 Å²	55	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-50.2	174.6	-66.3	154.6	-34.4	0	0	111.2	T316 L320 N321 F322 E394	T316-Q318 PolarHBondContact O-N 2.84Å; Q318-L320 PolarHBondContact O-N 3.21Å; Q318-N321 PolarHBondContact O-N 3.41Å; Q318-F322 WeakPolarHBondContact O-CB 3.4Å; Q318-F322 PolarHBondContact O-N 3.43Å; Q318-E394 PolarHBondContact NE2-OE1 3.11Å
319	Y	86.3	Confident	81.8	Confident	15 Å²	15	55.1 Å²	55.1	6%	0.059	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-37.7	178.4	-175.2	-93.6	0	0	0	112.6	M311 V315 T316 N321 F322 S323 V396	M311-Y319 HydrophobicContact CE-CD1 3.36Å; M311-Y319 HydrophobicContact CE-CD2 4.38Å; M311-Y319 HydrophobicContact CE-CE1 3.43Å; M311-Y319 VanDerWaalsContact CE-CE1 3.43Å; M311-Y319 HydrophobicContact CE-CE2 4.43Å; M311-Y319 HydrophobicContact CE-CG 3.87Å; M311-Y319 HydrophobicContact CG-CD1 4.48Å; M311-Y319 HydrophobicContact CG-CD2 3.86Å; M311-Y319 HydrophobicContact CG-CE1 4.31Å; M311-Y319 HydrophobicContact CG-CE2 3.65Å; M311-Y319 HydrophobicContact CG-CG 4.26Å; M311-Y319 HydrophobicContact SD-CD1 3.91Å; M311-Y319 HydrophobicContact SD-CD2 4.23Å; M311-Y319 HydrophobicContact SD-CE1 3.42Å; M311-Y319 WeakPolarHBondContact SD-CE1 3.49Å; M311-Y319 HydrophobicContact SD-CE2 3.77Å; M311-Y319 HydrophobicContact SD-CG 4.29Å; V315-Y319 HydrophobicContact CG1-CD1 4.08Å; T316-Y319 PolarHBondContact O-N 2.89Å; T316-Y319 VanDerWaalsContact O-N 3.1Å; T316-Y319 WeakPolarHBondContact OG1-CB 3.44Å; T316-Y319 PolarHBondContact OG1-N 3.3Å; Y319-N321 VanDerWaalsContact C-N 3.35Å; Y319-F322 HydrophobicContact CD2-CD1 4.37Å; Y319-F322 HydrophobicContact CE2-CD1 4.27Å; Y319-F322 PolarHBondContact O-N 3.09Å; Y319-S323 WeakPolarHBondContact CD1-OG 3.32Å; Y319-S323 WeakPolarHBondContact CE1-OG 3.44Å; Y319-S323 WeakPolarHBondContact O-CB 3.44Å; Y319-S323 PolarHBondContact O-N 3.4Å; Y319-S323 PolarHBondContact O-OG 3.39Å; Y319-V396 HydrophobicContact CD2-CG2 4.42Å
320	L	87.7	Confident	83	Confident	105 Å²	105	55.2 Å²	55.2	55%	0.55	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-42.8	174.9	-69.9	173.8	0	0	0	111.6	V315 T316 P317 Q318 S323 K324	V315-L320 HydrophobicContact CG1-CD1 4.38Å; V315-L320 HydrophobicContact CG1-CD2 3.68Å; V315-L320 HydrophobicContact CG1-CG 3.75Å; T316-L320 PolarHBondContact O-N 3.19Å; T316-L320 VanDerWaalsContact O-N 3.08Å; P317-L320 PolarHBondContact O-N 3.1Å; Q318-L320 PolarHBondContact O-N 3.21Å; L320-S323 PolarHBondContact O-N 3.21Å; L320-K324 WeakPolarHBondContact O-CB 3.5Å; L320-K324 PolarHBondContact O-N 2.85Å
321	N	91.3	Very high	84.7	Confident	92 Å²	92	60.8 Å²	60.8	49%	0.492	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-44.5	176.5	-166.9	26.1	0	0	0	111.2	P317 Q318 Y319 S323 K324 N325	P317-N321 WeakPolarHBondContact O-CB 3.37Å; P317-N321 PolarHBondContact O-N 2.99Å; Q318-N321 PolarHBondContact O-N 3.41Å; Y319-N321 VanDerWaalsContact C-N 3.35Å; N321-S323 PolarHBondContact O-N 3.44Å; N321-K324 PolarHBondContact O-N 3.05Å; N321-N325 WeakPolarHBondContact O-CB 3.49Å; N321-N325 PolarHBondContact O-N 2.8Å; N321-N325 PolarHBondContact O-ND2 3.44Å; N321-N325 PolarHBondContact OD1-ND2 3.49Å
322	F	92.5	Very high	86.1	Confident	12 Å²	12	63.8 Å²	63.8	5%	0.053	33%	0.334	C	S	.	.	H	α-helix	trans	-54.8	-53.4	172.7	169.9	-98.2	0	0	0	111.3	A49 V52 Q318 Y319 K324 N325 V326 V349 A357 V396	A49-F322 HydrophobicContact CB-CE2 4.21Å; A49-F322 HydrophobicContact CB-CZ 3.85Å; V52-F322 HydrophobicContact CB-CD2 4.3Å; V52-F322 HydrophobicContact CB-CE2 4.31Å; V52-F322 HydrophobicContact CG1-CD2 3.78Å; V52-F322 HydrophobicContact CG1-CE2 4.26Å; Q318-F322 WeakPolarHBondContact O-CB 3.4Å; Q318-F322 PolarHBondContact O-N 3.43Å; Y319-F322 HydrophobicContact CD2-CD1 4.37Å; Y319-F322 HydrophobicContact CE2-CD1 4.27Å; Y319-F322 PolarHBondContact O-N 3.09Å; F322-K324 VanDerWaalsContact C-N 3.29Å; F322-K324 PolarHBondContact O-N 3.25Å; F322-N325 PolarHBondContact O-N 3Å; F322-N325 VanDerWaalsContact O-N 3.12Å; F322-V326 HydrophobicContact CD1-CG2 4.33Å; F322-V326 HydrophobicContact CD2-CG2 4.15Å; F322-V326 HydrophobicContact CE1-CG2 3.9Å; F322-V326 HydrophobicContact CE2-CG2 3.69Å; F322-V326 HydrophobicContact CG-CG2 4.44Å; F322-V326 HydrophobicContact CZ-CG2 3.56Å; F322-V326 WeakPolarHBondContact O-CG2 3.34Å; F322-V326 PolarHBondContact O-N 3.46Å; F322-V349 HydrophobicContact CE1-CG2 4.4Å; F322-A357 HydrophobicContact CE2-CB 3.6Å; F322-A357 HydrophobicContact CZ-CB 3.81Å; F322-V396 HydrophobicContact CD1-CB 4.42Å; F322-V396 HydrophobicContact CD2-CB 4.35Å; F322-V396 HydrophobicContact CD2-CG1 3.89Å; F322-V396 HydrophobicContact CE1-CG2 4.5Å; F322-V396 HydrophobicContact CE2-CG1 3.96Å; F322-V396 HydrophobicContact CG-CB 4.24Å; F322-V396 HydrophobicContact CG-CG1 4.29Å; F322-V396 HydrophobicContact CZ-CG1 4.4Å
323	S	90.5	Very high	87.5	Confident	20 Å²	20	68.9 Å²	68.9	14%	0.14	36%	0.356	C	S	.	.	H	α-helix	trans	-56.5	-44.3	-178.6	-59.5	0	0	0	0	111.8	Y319 L320 N321 I327 V349	Y319-S323 WeakPolarHBondContact CD1-OG 3.32Å; Y319-S323 WeakPolarHBondContact CE1-OG 3.44Å; Y319-S323 WeakPolarHBondContact O-CB 3.44Å; Y319-S323 PolarHBondContact O-N 3.4Å; Y319-S323 PolarHBondContact O-OG 3.39Å; L320-S323 PolarHBondContact O-N 3.21Å; N321-S323 PolarHBondContact O-N 3.44Å; S323-I327 PolarHBondContact O-N 3.02Å; S323-V349 WeakPolarHBondContact OG-CG1 2.93Å
324	K	92.5	Very high	89	Confident	120 Å²	120	66.3 Å²	66.3	52%	0.522	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-49.3	176.3	-177.9	-177.2	170.7	-172.3	0	111.5	L320 N321 F322 V326 I327 E328	L320-K324 WeakPolarHBondContact O-CB 3.5Å; L320-K324 PolarHBondContact O-N 2.85Å; N321-K324 PolarHBondContact O-N 3.05Å; F322-K324 VanDerWaalsContact C-N 3.29Å; F322-K324 PolarHBondContact O-N 3.25Å; K324-V326 VanDerWaalsContact C-N 3.33Å; K324-V326 PolarHBondContact O-N 3.27Å; K324-I327 PolarHBondContact O-N 2.8Å; K324-E328 VanDerWaalsContact CE-CD 3.47Å; K324-E328 WeakPolarHBondContact CE-OE1 3.5Å; K324-E328 HydrophobicContact CG-CG 4.44Å; K324-E328 IonicContact NZ-OE1 2.72Å; K324-E328 PolarHBondContact O-N 3.46Å
325	N	94.7	Very high	90.3	Very high	43 Å²	43	61.6 Å²	61.6	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-36.5	-177.2	-67.4	-19.8	0	0	0	112.1	V52 N321 F322 I327 E328 M329	V52-N325 HydrophobicContact CG1-CB 4.4Å; V52-N325 HydrophobicContact CG2-CB 3.77Å; N321-N325 WeakPolarHBondContact O-CB 3.49Å; N321-N325 PolarHBondContact O-N 2.8Å; N321-N325 PolarHBondContact O-ND2 3.44Å; N321-N325 PolarHBondContact OD1-ND2 3.49Å; F322-N325 PolarHBondContact O-N 3Å; F322-N325 VanDerWaalsContact O-N 3.12Å; N325-I327 VanDerWaalsContact C-N 3.34Å; N325-I327 PolarHBondContact O-N 2.9Å; N325-E328 PolarHBondContact O-N 3.29Å; N325-M329 HydrophobicContact CB-SD 4.49Å; N325-M329 WeakPolarHBondContact O-CB 3.45Å; N325-M329 WeakPolarHBondContact O-CG 3.27Å; N325-M329 PolarHBondContact O-N 2.92Å
326	V	94.1	Very high	91.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58	-48.2	175	173.7	0	0	0	0	110.5	A48 A49 V52 F322 K324 M330 V349	A48-V326 HydrophobicContact CB-CG1 4.18Å; A48-V326 WeakPolarHBondContact CB-O 3.38Å; A49-V326 HydrophobicContact CB-CG2 4.17Å; V52-V326 HydrophobicContact CG2-CG2 3.88Å; F322-V326 HydrophobicContact CD1-CG2 4.33Å; F322-V326 HydrophobicContact CD2-CG2 4.15Å; F322-V326 HydrophobicContact CE1-CG2 3.9Å; F322-V326 HydrophobicContact CE2-CG2 3.69Å; F322-V326 HydrophobicContact CG-CG2 4.44Å; F322-V326 HydrophobicContact CZ-CG2 3.56Å; F322-V326 WeakPolarHBondContact O-CG2 3.34Å; F322-V326 PolarHBondContact O-N 3.46Å; K324-V326 VanDerWaalsContact C-N 3.33Å; K324-V326 PolarHBondContact O-N 3.27Å; V326-M330 WeakPolarHBondContact O-CG 3.5Å; V326-M330 PolarHBondContact O-N 3.07Å; V326-V349 HydrophobicContact CB-CG2 4.08Å; V326-V349 HydrophobicContact CG1-CG2 3.91Å; V326-V349 HydrophobicContact CG2-CG2 4.34Å
327	I	93.8	Very high	91.7	Very high	42 Å²	42	62.4 Å²	62.4	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-68.3	-39.9	-179.5	-60.9	-50.5	0	0	0	111.9	T45 S323 K324 N325 Y346	T45-I327 HydrophobicContact CG2-CD1 4.43Å; S323-I327 PolarHBondContact O-N 3.02Å; K324-I327 PolarHBondContact O-N 2.8Å; N325-I327 VanDerWaalsContact C-N 3.34Å; N325-I327 PolarHBondContact O-N 2.9Å; I327-Y346 WeakPolarHBondContact CD1-O 3.28Å
328	E	92.9	Very high	91.8	Very high	100 Å²	100	61.1 Å²	61.1	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-42.4	178.4	-72.6	-176.8	168.9	0	0	112.2	K324 N325 M330	K324-E328 VanDerWaalsContact CE-CD 3.47Å; K324-E328 WeakPolarHBondContact CE-OE1 3.5Å; K324-E328 HydrophobicContact CG-CG 4.44Å; K324-E328 IonicContact NZ-OE1 2.72Å; K324-E328 PolarHBondContact O-N 3.46Å; N325-E328 PolarHBondContact O-N 3.29Å; E328-M330 VanDerWaalsContact C-N 3.32Å; E328-M330 PolarHBondContact O-N 3.24Å
329	M	95.3	Very high	91.9	Very high	30 Å²	30	65 Å²	65	15%	0.148	33%	0.325	C	S	.	.	H	α-helix	trans	-80.1	-5.3	-175.7	-65.1	-179.2	78.8	0	0	114.2	A48 L51 V52 N325 K331 D332	A48-M329 HydrophobicContact CB-CB 4.08Å; L51-M329 HydrophobicContact CB-CE 3.58Å; L51-M329 HydrophobicContact CB-SD 4.39Å; L51-M329 HydrophobicContact CD1-CB 4.44Å; V52-M329 HydrophobicContact CG2-SD 3.67Å; N325-M329 HydrophobicContact CB-SD 4.49Å; N325-M329 WeakPolarHBondContact O-CB 3.45Å; N325-M329 WeakPolarHBondContact O-CG 3.27Å; N325-M329 PolarHBondContact O-N 2.92Å; M329-K331 PolarHBondContact O-N 3.13Å; M329-K331 VanDerWaalsContact O-N 3.16Å; M329-D332 WeakPolarHBondContact O-CB 3.28Å; M329-D332 PolarHBondContact O-N 2.99Å
330	M	94.6	Very high	91.8	Very high	3 Å²	3	68.9 Å²	68.9	2%	0.015	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.2	171.6	-81	-58.4	-57.4	0	0	112.9	Y43 A47 A48 V326 E328 D332 F335 C337	Y43-M330 HydrophobicContact CE1-CE 4.37Å; A47-M330 HydrophobicContact CB-CE 4.25Å; A47-M330 HydrophobicContact CB-SD 3.96Å; A48-M330 HydrophobicContact CB-CG 3.89Å; A48-M330 HydrophobicContact CB-SD 3.55Å; A48-M330 VanDerWaalsContact CB-SD 3.55Å; A48-M330 PolarHBondContact N-SD 2.99Å; A48-M330 VanDerWaalsContact N-SD 3.4Å; V326-M330 WeakPolarHBondContact O-CG 3.5Å; V326-M330 PolarHBondContact O-N 3.07Å; E328-M330 VanDerWaalsContact C-N 3.32Å; E328-M330 PolarHBondContact O-N 3.24Å; M330-D332 VanDerWaalsContact C-N 3.33Å; M330-F335 HydrophobicContact CE-CB 4.28Å; M330-C337 HydrophobicContact CB-CB 4.4Å; M330-C337 HydrophobicContact CE-CB 3.7Å; M330-C337 WeakPolarHBondContact O-CB 3.47Å; M330-C337 PolarHBondContact O-N 3.11Å
331	K	93.4	Very high	91.7	Very high	130 Å²	130	65 Å²	65	57%	0.565	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.4	178.1	-56.5	176.3	-171.4	175.2	0	112.9	M329 V338	M329-K331 PolarHBondContact O-N 3.13Å; M329-K331 VanDerWaalsContact O-N 3.16Å; K331-V338 HydrophobicContact CB-CG2 4.4Å
332	D	94.4	Very high	91.4	Very high	76 Å²	76	66 Å²	66	41%	0.406	34%	0.337	S	S	.	.	S	Bend	trans	-83.4	162.7	-175.8	-61.8	-20.7	0	0	0	111.6	L51 M329 M330 F335 N336	L51-D332 HydrophobicContact CD1-CB 4.46Å; M329-D332 WeakPolarHBondContact O-CB 3.28Å; M329-D332 PolarHBondContact O-N 2.99Å; M330-D332 VanDerWaalsContact C-N 3.33Å; D332-F335 PolarHBondContact O-N 3.38Å; D332-N336 PolarHBondContact O-N 3.18Å
333	E	91.4	Very high	90.9	Very high	163 Å²	163	66.5 Å²	66.5	76%	0.762	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	133.2	172.8	-168.8	-179.4	169.7	0	0	110
334	P	93.6	Very high	90.7	Very high	36 Å²	36	71.3 Å²	71.3	23%	0.234	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.8	-9.6	13.8	36.6	-34.4	0	0	0	115.7	F70 W72 N336	F70-P334 HydrophobicContact CB-CG 4.15Å; F70-P334 HydrophobicContact CD2-CG 4.38Å; W72-P334 HydrophobicContact CH2-CB 3.92Å; W72-P334 HydrophobicContact CH2-CG 4.24Å; W72-P334 WeakPolarHBondContact CH2-O 3.44Å; W72-P334 HydrophobicContact CZ3-CB 3.79Å; W72-P334 HydrophobicContact CZ3-CG 3.74Å; P334-N336 PolarHBondContact O-ND2 2.85Å; P334-N336 VanDerWaalsContact O-ND2 3.14Å
335	F	94	Very high	90.3	Very high	12 Å²	12	69.5 Å²	69.5	5%	0.053	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-35.6	-169.5	-60.2	-58.8	0	0	0	113.7	L28 Y43 A47 A48 V50 L51 W72 M330 D332 C337	L28-F335 HydrophobicContact CD1-CE1 4.37Å; L28-F335 HydrophobicContact CD1-CZ 4.13Å; Y43-F335 AromaticContact CE2-CD1 3.94Å; Y43-F335 HydrophobicContact CE2-CD1 3.94Å; Y43-F335 HydrophobicContact CE2-CE1 4.23Å; Y43-F335 WeakPolarHBondContact OH-CD1 3.41Å; A47-F335 HydrophobicContact CB-CD1 4.04Å; A47-F335 HydrophobicContact CB-CD2 4.4Å; A47-F335 HydrophobicContact CB-CE1 3.7Å; A47-F335 HydrophobicContact CB-CE2 4.07Å; A47-F335 HydrophobicContact CB-CG 4.38Å; A47-F335 HydrophobicContact CB-CZ 3.72Å; A47-F335 WeakPolarHBondContact O-CE2 3.46Å; A47-F335 WeakPolarHBondContact O-CZ 3.29Å; A48-F335 HydrophobicContact CB-CD2 4.42Å; V50-F335 HydrophobicContact CG2-CE2 4.19Å; V50-F335 HydrophobicContact CG2-CZ 4.03Å; L51-F335 HydrophobicContact CD1-CD2 3.74Å; L51-F335 HydrophobicContact CD1-CE2 3.85Å; L51-F335 HydrophobicContact CD2-CE2 4.44Å; L51-F335 HydrophobicContact CG-CD2 4.29Å; L51-F335 HydrophobicContact CG-CE2 3.87Å; W72-F335 HydrophobicContact CD2-CD1 4.24Å; W72-F335 HydrophobicContact CD2-CE1 4.06Å; W72-F335 HydrophobicContact CE3-CD1 4.14Å; W72-F335 AromaticContact CE3-CE1 3.81Å; W72-F335 HydrophobicContact CE3-CE1 3.81Å; W72-F335 HydrophobicContact CH2-CD1 4.06Å; W72-F335 HydrophobicContact CZ2-CD1 4.12Å; W72-F335 HydrophobicContact CZ3-CD1 4.07Å; W72-F335 HydrophobicContact CZ3-CE1 4.07Å; M330-F335 HydrophobicContact CE-CB 4.28Å; D332-F335 PolarHBondContact O-N 3.38Å; F335-C337 PolarHBondContact O-N 3.37Å
336	N	92.3	Very high	89.9	Confident	99 Å²	99	68.9 Å²	68.9	53%	0.529	35%	0.354	S	S	.	.			trans	45.7	34.2	177	-63.1	-67.1	0	0	0	113.5	D332 P334 V338	D332-N336 PolarHBondContact O-N 3.18Å; P334-N336 PolarHBondContact O-ND2 2.85Å; P334-N336 VanDerWaalsContact O-ND2 3.14Å; N336-V338 VanDerWaalsContact C-N 3.28Å; N336-V338 PolarHBondContact O-N 3.35Å
337	C	89.8	Confident	89.6	Confident	9 Å²	9	72.1 Å²	72.1	6%	0.061	38%	0.376	C	S	.	.			trans	-80.2	79.3	-176.3	-165.3	0	0	0	0	109.5	M330 F335 C341	M330-C337 HydrophobicContact CB-CB 4.4Å; M330-C337 HydrophobicContact CE-CB 3.7Å; M330-C337 WeakPolarHBondContact O-CB 3.47Å; M330-C337 PolarHBondContact O-N 3.11Å; F335-C337 PolarHBondContact O-N 3.37Å; C337-C341 HydrophobicContact CB-CB 3.96Å; C337-C341 WeakPolarHBondContact CB-SG 3.08Å; C337-C341 WeakPolarHBondContact O-CB 3.49Å; C337-C341 WeakPolarHBondContact SG-CB 3.49Å; C337-C341 CovalentContact SG-SG 2.03Å; C337-C341 PolarHBondContact SG-SG 3.41Å
338	V	88.2	Confident	89.3	Confident	83 Å²	83	72.4 Å²	72.4	50%	0.503	38%	0.382	S	S	.	.	S	Bend	trans	-93.4	-57.8	-179.5	-176	0	0	0	0	110.5	K331 N336 V342	K331-V338 HydrophobicContact CB-CG2 4.4Å; N336-V338 VanDerWaalsContact C-N 3.28Å; N336-V338 PolarHBondContact O-N 3.35Å; V338-V342 WeakPolarHBondContact O-CG2 3.33Å
339	E	86.5	Confident	89.2	Confident	174 Å²	174	68.3 Å²	68.3	81%	0.813	36%	0.364	S	S	*	.	S	Bend	trans	-79.5	-41.2	-175.4	-63	-175.2	171.6	0	0	112.5	C341 V342	E339-C341 VanDerWaalsContact C-N 3.26Å; E339-C341 PolarHBondContact O-N 3.37Å; E339-V342 WeakPolarHBondContact O-CG2 3.32Å
340	D	83.3	Confident	88.9	Confident	98 Å²	98	67 Å²	67	52%	0.524	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.1	-176.8	-75	-12.7	0	0	0	113.9	R44 Y346	R44-D340 WeakPolarHBondContact CD-O 3.41Å; R44-D340 PolarHBondContact NE-O 3.33Å; D340-Y346 WeakPolarHBondContact O-CE2 3.32Å
341	C	86.9	Confident	88.4	Confident	24 Å²	24	67.8 Å²	67.8	16%	0.162	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	17	-175.6	-69.3	0	0	0	0	113.7	C337 E339	C337-C341 HydrophobicContact CB-CB 3.96Å; C337-C341 WeakPolarHBondContact CB-SG 3.08Å; C337-C341 WeakPolarHBondContact O-CB 3.49Å; C337-C341 WeakPolarHBondContact SG-CB 3.49Å; C337-C341 CovalentContact SG-SG 2.03Å; C337-C341 PolarHBondContact SG-SG 3.41Å; E339-C341 VanDerWaalsContact C-N 3.26Å; E339-C341 PolarHBondContact O-N 3.37Å
342	V	83.7	Confident	88.2	Confident	113 Å²	113	61.7 Å²	61.7	69%	0.685	34%	0.335	S	S	*	.			trans	-78.8	-25.9	-176.8	-175.5	0	0	0	0	113.7	V338 E339	V338-V342 WeakPolarHBondContact O-CG2 3.33Å; E339-V342 WeakPolarHBondContact O-CG2 3.32Å
343	G	84	Confident	88.1	Confident	22 Å²	22	58.1 Å²	58.1	23%	0.227	32%	0.315	C	S	.	.	S	Bend	trans	-59.7	149.8	-173.3	0	0	0	0	0	114.5	E345 Y346	G343-E345 VanDerWaalsContact CA-OE2 3.31Å; G343-E345 WeakPolarHBondContact CA-OE2 3.43Å; G343-E345 PolarHBondContact O-N 3.1Å; G343-E345 VanDerWaalsContact O-N 3.12Å; G343-Y346 PolarHBondContact O-N 3.4Å
344	E	85.4	Confident	88	Confident	121 Å²	121	50.3 Å²	50.3	57%	0.565	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-56	-30.1	174.2	-168.2	-174.6	-179.4	0	0	110.2	G273 K275 Y346 S347	G273-E344 WeakPolarHBondContact CA-O 3.41Å; K275-E344 WeakPolarHBondContact CE-OE1 3.42Å; K275-E344 VanDerWaalsContact NZ-CD 3.26Å; K275-E344 IonicContact NZ-OE1 3.24Å; K275-E344 PolarHBondContact NZ-OE1 3.46Å; K275-E344 IonicContact NZ-OE2 3.72Å; K275-E344 PolarHBondContact NZ-OE2 3.12Å; E344-Y346 PolarHBondContact O-N 2.69Å; E344-Y346 VanDerWaalsContact O-N 3.15Å; E344-S347 VanDerWaalsContact O-CB 3.29Å; E344-S347 WeakPolarHBondContact O-CB 3.31Å; E344-S347 PolarHBondContact O-N 3.43Å; E344-S347 VanDerWaalsContact O-N 3.13Å; E344-S347 PolarHBondContact O-OG 3.45Å
345	E	83.3	Confident	87.9	Confident	81 Å²	81	48.6 Å²	48.6	38%	0.379	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-58.6	-20.3	174.4	60	-97.1	-143.8	0	0	116.2	V272 G343	V272-E345 HydrophobicContact CB-CB 4.49Å; V272-E345 HydrophobicContact CG1-CB 3Å; V272-E345 HydrophobicContact CG1-CG 4.44Å; G343-E345 VanDerWaalsContact CA-OE2 3.31Å; G343-E345 WeakPolarHBondContact CA-OE2 3.43Å; G343-E345 PolarHBondContact O-N 3.1Å; G343-E345 VanDerWaalsContact O-N 3.12Å
346	Y	87.8	Confident	87.9	Confident	31 Å²	31	48 Å²	48	12%	0.122	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-107.8	9	-179.6	-47.8	-58.4	0	0	0	112.7	R44 T45 I327 D340 G343 E344 S348	R44-Y346 HydrophobicContact CB-CD1 3.62Å; R44-Y346 HydrophobicContact CB-CE1 3.87Å; R44-Y346 HydrophobicContact CB-CG 4.21Å; R44-Y346 HydrophobicContact CG-CD1 4.37Å; R44-Y346 HydrophobicContact CG-CE1 4.16Å; T45-Y346 HydrophobicContact CG2-CD1 4.1Å; I327-Y346 WeakPolarHBondContact CD1-O 3.28Å; D340-Y346 WeakPolarHBondContact O-CE2 3.32Å; G343-Y346 PolarHBondContact O-N 3.4Å; E344-Y346 PolarHBondContact O-N 2.69Å; E344-Y346 VanDerWaalsContact O-N 3.15Å; Y346-S348 VanDerWaalsContact C-N 3.25Å; Y346-S348 PolarHBondContact O-N 2.87Å
347	S	87	Confident	88.1	Confident	67 Å²	67	43.4 Å²	43.4	47%	0.469	24%	0.241	S	C	.	.	S	Bend	trans	-76.1	-9.1	-178.1	63.7	0	0	0	0	114.5	G273 E344	G273-S347 WeakPolarHBondContact CA-OG 3.45Å; G273-S347 PolarHBondContact O-OG 3.04Å; E344-S347 VanDerWaalsContact O-CB 3.29Å; E344-S347 WeakPolarHBondContact O-CB 3.31Å; E344-S347 PolarHBondContact O-N 3.43Å; E344-S347 VanDerWaalsContact O-N 3.13Å; E344-S347 PolarHBondContact O-OG 3.45Å
348	S	87.8	Confident	88.2	Confident	48 Å²	48	43.1 Å²	43.1	34%	0.336	24%	0.239	S	C	.	.	S	Bend	trans	-125.6	141.2	179.5	-178.6	0	0	0	0	110.9	T45 Y346	T45-S348 WeakPolarHBondContact CB-O 3.24Å; T45-S348 VanDerWaalsContact CG2-O 3.23Å; T45-S348 WeakPolarHBondContact CG2-O 3.28Å; Y346-S348 VanDerWaalsContact C-N 3.25Å; Y346-S348 PolarHBondContact O-N 2.87Å
349	V	90	Very high	88.4	Confident	15 Å²	15	39.2 Å²	39.2	9%	0.091	22%	0.215	C	C	.	.			trans	-61.2	145.6	175.5	72.4	0	0	0	0	111.1	T45 F322 S323 V326 A353	T45-V349 WeakPolarHBondContact O-CG2 3.34Å; F322-V349 HydrophobicContact CE1-CG2 4.4Å; S323-V349 WeakPolarHBondContact OG-CG1 2.93Å; V326-V349 HydrophobicContact CB-CG2 4.08Å; V326-V349 HydrophobicContact CG1-CG2 3.91Å; V326-V349 HydrophobicContact CG2-CG2 4.34Å; V349-A353 HydrophobicContact CG2-CB 3.46Å; V349-A353 VanDerWaalsContact CG2-CB 3.46Å
350	A	89.2	Confident	88.9	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.008	18%	0.176	C	C	.	.			trans	-66.3	144.8	174.7	0	0	0	0	0	110.7	V39 G40 T45 Y352 A353	V39-A350 WeakPolarHBondContact O-CA 3.32Å; G40-A350 WeakPolarHBondContact O-CB 3.46Å; T45-A350 PolarHBondContact O-N 2.98Å; T45-A350 WeakPolarHBondContact OG1-CB 3.34Å; A350-Y352 PolarHBondContact O-N 3.38Å; A350-Y352 VanDerWaalsContact O-N 3.09Å; A350-A353 HydrophobicContact CB-CB 4.39Å; A350-A353 WeakPolarHBondContact O-CB 3.43Å; A350-A353 PolarHBondContact O-N 3.12Å
351	K	85.3	Confident	89.5	Confident	21 Å²	21	27.8 Å²	27.8	9%	0.091	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.2	-174.5	-59.6	-174.5	-158.2	-171.3	0	114.3	V39 G40 N263 E270 M309	V39-K351 HydrophobicContact CG1-CG 4.4Å; V39-K351 WeakPolarHBondContact O-CG 3.45Å; V39-K351 PolarHBondContact O-N 3.36Å; G40-K351 PolarHBondContact O-N 2.8Å; N263-K351 WeakPolarHBondContact OD1-CD 3.38Å; N263-K351 PolarHBondContact OD1-NZ 3.34Å; N263-K351 VanDerWaalsContact OD1-NZ 3.13Å; E270-K351 WeakPolarHBondContact OE2-CD 3.31Å; E270-K351 WeakPolarHBondContact OE2-CE 3.12Å; E270-K351 VanDerWaalsContact OE2-CG 3.28Å; E270-K351 WeakPolarHBondContact OE2-CG 3.36Å; E270-K351 IonicContact OE2-NZ 3.9Å; E270-K351 PolarHBondContact OE2-NZ 3.21Å; M309-K351 HydrophobicContact CE-CB 4.42Å; M309-K351 HydrophobicContact CE-CD 4.19Å; M309-K351 HydrophobicContact SD-CB 3.72Å; M309-K351 HydrophobicContact SD-CD 3.77Å; M309-K351 HydrophobicContact SD-CG 4.28Å
352	Y	88.9	Confident	89.8	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.008	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	4.2	-176.1	-64.1	-75.9	0	0	0	114.1	G40 I41 L126 T262 N263 M309 A350 G354 Q355 L356	G40-Y352 WeakPolarHBondContact O-CD2 3.33Å; G40-Y352 PolarHBondContact O-N 2.64Å; G40-Y352 VanDerWaalsContact O-N 3.13Å; I41-Y352 HydrophobicContact CG2-CD2 3.85Å; I41-Y352 HydrophobicContact CG2-CG 4.39Å; L126-Y352 HydrophobicContact CD2-CD2 4.38Å; L126-Y352 HydrophobicContact CD2-CE2 3.48Å; L126-Y352 VanDerWaalsContact CD2-CE2 3.48Å; L126-Y352 HydrophobicContact CG-CE2 4.17Å; T262-Y352 PolarHBondContact O-OH 3.45Å; N263-Y352 VanDerWaalsContact CA-OH 3.26Å; N263-Y352 WeakPolarHBondContact CA-OH 3.43Å; N263-Y352 HydrophobicContact CB-CE2 4.42Å; N263-Y352 WeakPolarHBondContact CB-OH 3.25Å; N263-Y352 PolarHBondContact N-OH 3.15Å; M309-Y352 HydrophobicContact CB-CD1 4.42Å; M309-Y352 HydrophobicContact CB-CE1 4.34Å; M309-Y352 HydrophobicContact CG-CD1 4.35Å; M309-Y352 HydrophobicContact CG-CE1 3.81Å; M309-Y352 HydrophobicContact SD-CE1 4.29Å; A350-Y352 PolarHBondContact O-N 3.38Å; A350-Y352 VanDerWaalsContact O-N 3.09Å; Y352-G354 PolarHBondContact O-N 3.5Å; Y352-G354 VanDerWaalsContact O-N 3.11Å; Y352-Q355 VanDerWaalsContact CD1-CD 3.45Å; Y352-Q355 HydrophobicContact CD1-CG 4.32Å; Y352-Q355 VanDerWaalsContact CD1-NE2 3.35Å; Y352-Q355 WeakPolarHBondContact O-CB 3.34Å; Y352-Q355 PolarHBondContact O-N 3.09Å; Y352-L356 PolarHBondContact O-N 2.81Å
353	A	91.4	Very high	90.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.6	-28.4	179.1	0	0	0	0	0	112.4	A49 V349 A350 Q355 L356 A357	A49-A353 HydrophobicContact CB-CB 4.44Å; A49-A353 WeakPolarHBondContact CB-O 3.35Å; V349-A353 HydrophobicContact CG2-CB 3.46Å; V349-A353 VanDerWaalsContact CG2-CB 3.46Å; A350-A353 HydrophobicContact CB-CB 4.39Å; A350-A353 WeakPolarHBondContact O-CB 3.43Å; A350-A353 PolarHBondContact O-N 3.12Å; A353-Q355 VanDerWaalsContact C-N 3.35Å; A353-L356 WeakPolarHBondContact O-CB 3.47Å; A353-L356 PolarHBondContact O-N 2.76Å; A353-A357 PolarHBondContact O-N 3.36Å
354	G	90.4	Very high	90.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-38.2	173.3	0	0	0	0	0	113.5	Y352 L356 A357 D358	Y352-G354 PolarHBondContact O-N 3.5Å; Y352-G354 VanDerWaalsContact O-N 3.11Å; G354-L356 VanDerWaalsContact C-N 3.3Å; G354-L356 PolarHBondContact O-N 2.93Å; G354-A357 WeakPolarHBondContact O-CB 3.34Å; G354-A357 PolarHBondContact O-N 3.12Å; G354-A357 VanDerWaalsContact O-N 3.15Å; G354-D358 VanDerWaalsContact O-CG 3.24Å; G354-D358 PolarHBondContact O-N 3.41Å
355	Q	91.1	Very high	91.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64	-36.5	176.1	-64.9	-178	-11.2	0	0	112.1	W124 F144 S145 Y352 A353 D358 A359	W124-Q355 HydrophobicContact CB-CB 4.04Å; F144-Q355 HydrophobicContact CB-CB 4.43Å; S145-Q355 PolarHBondContact OG-OE1 3.36Å; Y352-Q355 VanDerWaalsContact CD1-CD 3.45Å; Y352-Q355 HydrophobicContact CD1-CG 4.32Å; Y352-Q355 VanDerWaalsContact CD1-NE2 3.35Å; Y352-Q355 WeakPolarHBondContact O-CB 3.34Å; Y352-Q355 PolarHBondContact O-N 3.09Å; A353-Q355 VanDerWaalsContact C-N 3.35Å; Q355-D358 PolarHBondContact O-N 3.33Å; Q355-A359 WeakPolarHBondContact O-CB 3.4Å; Q355-A359 PolarHBondContact O-N 3.26Å
356	L	94.5	Very high	91.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.2	-44.2	173.6	174.8	57.2	0	0	0	111.2	F30 A49 V50 F99 W124 Y352 A353 G354 F360	F30-L356 HydrophobicContact CE1-CD2 3.81Å; F30-L356 HydrophobicContact CZ-CD2 3.98Å; A49-L356 HydrophobicContact CB-CB 4.47Å; A49-L356 HydrophobicContact CB-CD2 4.2Å; A49-L356 HydrophobicContact CB-CG 4.34Å; V50-L356 HydrophobicContact CG1-CD1 3.94Å; V50-L356 HydrophobicContact CG1-CD2 3.97Å; V50-L356 HydrophobicContact CG1-CG 3.86Å; F99-L356 HydrophobicContact CB-CD1 3.78Å; F99-L356 HydrophobicContact CD1-CD1 4.2Å; F99-L356 HydrophobicContact CG-CD1 4.14Å; W124-L356 HydrophobicContact CD2-CB 3.71Å; W124-L356 HydrophobicContact CD2-CD1 4.44Å; W124-L356 HydrophobicContact CD2-CG 4.48Å; W124-L356 HydrophobicContact CE3-CB 3.86Å; W124-L356 HydrophobicContact CG-CB 4.15Å; W124-L356 HydrophobicContact CG-CD1 4.48Å; W124-L356 HydrophobicContact CH2-CB 4.47Å; W124-L356 HydrophobicContact CH2-CD2 4.15Å; W124-L356 HydrophobicContact CZ2-CB 4.33Å; W124-L356 HydrophobicContact CZ2-CD2 3.8Å; W124-L356 HydrophobicContact CZ2-CG 4.46Å; W124-L356 HydrophobicContact CZ3-CB 4.23Å; Y352-L356 PolarHBondContact O-N 2.81Å; A353-L356 WeakPolarHBondContact O-CB 3.47Å; A353-L356 PolarHBondContact O-N 2.76Å; G354-L356 VanDerWaalsContact C-N 3.3Å; G354-L356 PolarHBondContact O-N 2.93Å; L356-F360 WeakPolarHBondContact O-CB 3.46Å; L356-F360 PolarHBondContact O-N 3.48Å
357	A	94.6	Very high	92.1	Very high	1 Å²	1	10 Å²	10	1%	0.008	6%	0.061	C	C	.	.	H	α-helix	trans	-61.8	-49.5	176.4	0	0	0	0	0	111.9	A49 T53 F322 A353 G354 A359 F360 Y361 V396	A49-A357 HydrophobicContact CB-CB 4.3Å; T53-A357 WeakPolarHBondContact CG2-O 3.49Å; T53-A357 VanDerWaalsContact OG1-CA 3.29Å; T53-A357 WeakPolarHBondContact OG1-CA 3.33Å; T53-A357 WeakPolarHBondContact OG1-CB 3.31Å; F322-A357 HydrophobicContact CE2-CB 3.6Å; F322-A357 HydrophobicContact CZ-CB 3.81Å; A353-A357 PolarHBondContact O-N 3.36Å; G354-A357 WeakPolarHBondContact O-CB 3.34Å; G354-A357 PolarHBondContact O-N 3.12Å; G354-A357 VanDerWaalsContact O-N 3.15Å; A357-A359 PolarHBondContact O-N 2.91Å; A357-F360 PolarHBondContact O-N 3.35Å; A357-Y361 PolarHBondContact O-N 3.04Å; A357-V396 HydrophobicContact CB-CG1 3.66Å
358	D	92.8	Very high	92.5	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.021	5%	0.051	C	C	.	.	H	α-helix	trans	-62.4	-41.8	179.8	-64.2	-33.2	0	0	0	111.7	F144 G354 Q355 Y361 A362 F393 G395 V396 L401	F144-D358 HydrophobicContact CD1-CB 4.26Å; F144-D358 HydrophobicContact CE1-CB 4.14Å; G354-D358 VanDerWaalsContact O-CG 3.24Å; G354-D358 PolarHBondContact O-N 3.41Å; Q355-D358 PolarHBondContact O-N 3.33Å; D358-Y361 PolarHBondContact O-N 3.15Å; D358-A362 WeakPolarHBondContact O-CB 3.2Å; D358-A362 PolarHBondContact O-N 3.25Å; D358-F393 HydrophobicContact CB-CE2 4.17Å; D358-F393 HydrophobicContact CB-CZ 4.05Å; D358-F393 WeakPolarHBondContact O-CZ 3.47Å; D358-G395 VanDerWaalsContact OD1-CA 3.27Å; D358-G395 WeakPolarHBondContact OD1-CA 3.09Å; D358-V396 PolarHBondContact OD1-N 3.39Å; D358-L401 HydrophobicContact CB-CD1 3.81Å; D358-L401 WeakPolarHBondContact OD2-CD1 3.25Å
359	A	93.5	Very high	92.7	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.6	-44.7	176.4	0	0	0	0	0	111.9	F99 F122 F144 Q355 A357 A362 Y363	F99-A359 HydrophobicContact CD1-CB 4Å; F99-A359 HydrophobicContact CE1-CB 3.9Å; F122-A359 HydrophobicContact CB-CB 4.24Å; F144-A359 HydrophobicContact CD1-CB 4.03Å; F144-A359 HydrophobicContact CD2-CB 3.73Å; F144-A359 HydrophobicContact CE1-CB 4.16Å; F144-A359 HydrophobicContact CE2-CB 3.86Å; F144-A359 HydrophobicContact CG-CB 3.84Å; F144-A359 HydrophobicContact CZ-CB 4.09Å; Q355-A359 WeakPolarHBondContact O-CB 3.4Å; Q355-A359 PolarHBondContact O-N 3.26Å; A357-A359 PolarHBondContact O-N 2.91Å; A359-A362 PolarHBondContact O-N 2.95Å; A359-Y363 PolarHBondContact O-N 3.33Å
360	F	96.3	Very high	92.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.6	-37.9	179.7	-178	-133.9	0	0	0	112.2	V26 V50 T53 K54 I57 F68 F70 F99 L356 A357 Y363 A364	V26-F360 HydrophobicContact CG2-CE2 4.07Å; V50-F360 HydrophobicContact CB-CD1 3.96Å; V50-F360 HydrophobicContact CB-CE1 4.22Å; V50-F360 HydrophobicContact CG1-CD1 4.36Å; V50-F360 WeakPolarHBondContact O-CE1 3.05Å; T53-F360 HydrophobicContact CG2-CB 4.31Å; T53-F360 HydrophobicContact CG2-CD1 3.69Å; T53-F360 HydrophobicContact CG2-CE1 4.44Å; T53-F360 HydrophobicContact CG2-CG 4.35Å; K54-F360 HydrophobicContact CB-CE1 4.36Å; I57-F360 HydrophobicContact CD1-CD1 4.23Å; I57-F360 HydrophobicContact CD1-CE1 3.87Å; I57-F360 HydrophobicContact CD1-CZ 4.13Å; F68-F360 HydrophobicContact CB-CZ 4.47Å; F68-F360 AromaticContact CD1-CE2 3.94Å; F68-F360 HydrophobicContact CD1-CE2 3.94Å; F68-F360 AromaticContact CD1-CZ 3.71Å; F68-F360 HydrophobicContact CD1-CZ 3.71Å; F68-F360 HydrophobicContact CD2-CZ 4.19Å; F68-F360 AromaticContact CE1-CE2 3.95Å; F68-F360 HydrophobicContact CE1-CE2 3.95Å; F68-F360 AromaticContact CE1-CZ 3.89Å; F68-F360 HydrophobicContact CE1-CZ 3.89Å; F68-F360 HydrophobicContact CE2-CZ 4.35Å; F68-F360 AromaticContact CG-CZ 3.87Å; F68-F360 HydrophobicContact CG-CZ 3.87Å; F68-F360 HydrophobicContact CZ-CZ 4.2Å; F70-F360 AromaticContact CE1-CE1 3.89Å; F70-F360 HydrophobicContact CE1-CE1 3.89Å; F70-F360 HydrophobicContact CE1-CE2 4.3Å; F70-F360 AromaticContact CE1-CZ 3.69Å; F70-F360 HydrophobicContact CE1-CZ 3.69Å; F70-F360 AromaticContact CZ-CE1 3.86Å; F70-F360 HydrophobicContact CZ-CE1 3.86Å; F70-F360 AromaticContact CZ-CZ 3.84Å; F70-F360 HydrophobicContact CZ-CZ 3.84Å; F99-F360 HydrophobicContact CE1-CB 4.05Å; F99-F360 AromaticContact CE2-CD2 3.76Å; F99-F360 HydrophobicContact CE2-CD2 3.76Å; F99-F360 HydrophobicContact CZ-CB 4.06Å; F99-F360 AromaticContact CZ-CD2 3.69Å; F99-F360 HydrophobicContact CZ-CD2 3.69Å; F99-F360 HydrophobicContact CZ-CG 4.34Å; L356-F360 WeakPolarHBondContact O-CB 3.46Å; L356-F360 PolarHBondContact O-N 3.48Å; A357-F360 PolarHBondContact O-N 3.35Å; F360-Y363 HydrophobicContact CD2-CD1 4.25Å; F360-Y363 HydrophobicContact CE2-CD1 4.31Å; F360-A364 PolarHBondContact O-N 3.19Å; F360-A364 VanDerWaalsContact O-N 3.07Å
361	Y	95.4	Very high	93	Very high	32 Å²	32	12.7 Å²	12.7	13%	0.125	6%	0.057	C	C	.	.	H	α-helix	trans	-63.2	-47.7	173.2	-172.3	-99	0	0	0	111.8	T53 K56 I57 D60 A357 D358 Y363 A364 V365 F393	T53-Y361 HydrophobicContact CG2-CD2 4.4Å; K56-Y361 HydrophobicContact CD-CD2 4.26Å; K56-Y361 HydrophobicContact CD-CE2 4.15Å; K56-Y361 HydrophobicContact CG-CD2 4.29Å; K56-Y361 HydrophobicContact CG-CE2 3.98Å; I57-Y361 HydrophobicContact CG1-CD2 3.98Å; I57-Y361 HydrophobicContact CG1-CE2 4.45Å; D60-Y361 VanDerWaalsContact OD2-CE2 3.26Å; D60-Y361 WeakPolarHBondContact OD2-CE2 3.23Å; D60-Y361 PolarHBondContact OD2-OH 3.13Å; A357-Y361 PolarHBondContact O-N 3.04Å; D358-Y361 PolarHBondContact O-N 3.15Å; Y361-Y363 VanDerWaalsContact C-N 3.32Å; Y361-Y363 PolarHBondContact O-N 3.16Å; Y361-A364 PolarHBondContact O-N 3.36Å; Y361-A364 VanDerWaalsContact O-N 3.12Å; Y361-V365 HydrophobicContact CD1-CG2 4.05Å; Y361-V365 HydrophobicContact CE1-CG2 3.69Å; Y361-V365 WeakPolarHBondContact O-CG2 3.46Å; Y361-V365 PolarHBondContact O-N 3.37Å; Y361-F393 AromaticContact CD1-CD2 3.6Å; Y361-F393 HydrophobicContact CD1-CD2 3.6Å; Y361-F393 AromaticContact CD1-CE2 3.83Å; Y361-F393 HydrophobicContact CD1-CE2 3.83Å; Y361-F393 HydrophobicContact CD1-CG 4.11Å; Y361-F393 HydrophobicContact CE1-CB 4.23Å; Y361-F393 AromaticContact CE1-CD2 3.92Å; Y361-F393 HydrophobicContact CE1-CD2 3.92Å; Y361-F393 HydrophobicContact CE1-CG 4.19Å
362	A	93.9	Very high	93.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59	-42.8	178.3	0	0	0	0	0	112	F144 D358 A359 V365 A366 I389 M391 F393	F144-A362 HydrophobicContact CE1-CB 4.46Å; F144-A362 HydrophobicContact CZ-CB 3.76Å; D358-A362 WeakPolarHBondContact O-CB 3.2Å; D358-A362 PolarHBondContact O-N 3.25Å; A359-A362 PolarHBondContact O-N 2.95Å; A362-V365 PolarHBondContact O-N 3.34Å; A362-A366 WeakPolarHBondContact O-CB 3.49Å; A362-A366 PolarHBondContact O-N 3.47Å; A362-I389 HydrophobicContact CB-CD1 4.21Å; A362-I389 WeakPolarHBondContact O-CD1 3.44Å; A362-M391 HydrophobicContact CB-CE 4.4Å; A362-M391 HydrophobicContact CB-SD 4.13Å; A362-M391 VanDerWaalsContact O-CE 3.31Å; A362-M391 WeakPolarHBondContact O-CE 3.33Å; A362-F393 HydrophobicContact CB-CE1 3.93Å; A362-F393 HydrophobicContact CB-CZ 4.13Å
363	Y	95	Very high	93.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.1	-50.3	172.6	167.4	-101.9	0	0	0	111.9	I24 V97 F99 P120 F122 A359 F360 Y361 V365 A366 V367 I385	I24-Y363 HydrophobicContact CG2-CE1 4.36Å; I24-Y363 WeakPolarHBondContact CG2-OH 3.26Å; V97-Y363 HydrophobicContact CB-CD2 4.38Å; V97-Y363 HydrophobicContact CB-CE1 4.38Å; V97-Y363 HydrophobicContact CB-CE2 3.74Å; V97-Y363 HydrophobicContact CG1-CD1 4.43Å; V97-Y363 HydrophobicContact CG1-CE1 3.81Å; V97-Y363 HydrophobicContact CG1-CE2 4.09Å; V97-Y363 HydrophobicContact CG2-CD2 3.87Å; V97-Y363 HydrophobicContact CG2-CE2 3.73Å; V97-Y363 HydrophobicContact CG2-CG 4.33Å; F99-Y363 HydrophobicContact CZ-CD1 4.2Å; F99-Y363 HydrophobicContact CZ-CG 4.01Å; P120-Y363 HydrophobicContact CG-CE2 4.18Å; F122-Y363 AromaticContact CE2-CD2 3.56Å; F122-Y363 HydrophobicContact CE2-CD2 3.56Å; F122-Y363 HydrophobicContact CE2-CE2 4.48Å; F122-Y363 HydrophobicContact CE2-CG 4.07Å; F122-Y363 AromaticContact CZ-CD2 3.92Å; F122-Y363 HydrophobicContact CZ-CD2 3.92Å; F122-Y363 HydrophobicContact CZ-CG 4.37Å; A359-Y363 PolarHBondContact O-N 3.33Å; F360-Y363 HydrophobicContact CD2-CD1 4.25Å; F360-Y363 HydrophobicContact CE2-CD1 4.31Å; Y361-Y363 VanDerWaalsContact C-N 3.32Å; Y361-Y363 PolarHBondContact O-N 3.16Å; Y363-V365 VanDerWaalsContact C-N 3.32Å; Y363-V365 PolarHBondContact O-N 3.5Å; Y363-A366 PolarHBondContact O-N 3.39Å; Y363-V367 HydrophobicContact CD2-CG2 3.93Å; Y363-V367 HydrophobicContact CE1-CG2 4.13Å; Y363-V367 HydrophobicContact CE2-CG2 3.49Å; Y363-V367 VanDerWaalsContact CE2-CG2 3.49Å; Y363-V367 HydrophobicContact CG-CG2 4.45Å; Y363-V367 WeakPolarHBondContact O-CG2 3.42Å; Y363-V367 PolarHBondContact O-N 3.1Å; Y363-I385 HydrophobicContact CD2-CG2 4.25Å; Y363-I385 HydrophobicContact CE2-CD1 4.08Å; Y363-I385 HydrophobicContact CE2-CG2 4.46Å
364	A	95.6	Very high	93.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-42.4	-179	0	0	0	0	0	112	I57 V62 L63 F360 Y361 N368	I57-A364 HydrophobicContact CD1-CB 3.46Å; I57-A364 VanDerWaalsContact CD1-CB 3.46Å; I57-A364 HydrophobicContact CG1-CB 3.88Å; I57-A364 HydrophobicContact CG2-CB 4.37Å; V62-A364 HydrophobicContact CG1-CB 4.28Å; L63-A364 HydrophobicContact CD1-CB 4.08Å; F360-A364 PolarHBondContact O-N 3.19Å; F360-A364 VanDerWaalsContact O-N 3.07Å; Y361-A364 PolarHBondContact O-N 3.36Å; Y361-A364 VanDerWaalsContact O-N 3.12Å; A364-N368 WeakPolarHBondContact O-CB 3.49Å; A364-N368 PolarHBondContact O-N 2.99Å
365	V	94.2	Very high	93.1	Very high	20 Å²	20	28.2 Å²	28.2	12%	0.121	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-43.5	175.8	173.4	0	0	0	0	111.5	V62 Y361 A362 Y363 N368 R369 M391	V62-V365 HydrophobicContact CG1-CG2 4.38Å; Y361-V365 HydrophobicContact CD1-CG2 4.05Å; Y361-V365 HydrophobicContact CE1-CG2 3.69Å; Y361-V365 WeakPolarHBondContact O-CG2 3.46Å; Y361-V365 PolarHBondContact O-N 3.37Å; A362-V365 PolarHBondContact O-N 3.34Å; Y363-V365 VanDerWaalsContact C-N 3.32Å; Y363-V365 PolarHBondContact O-N 3.5Å; V365-N368 PolarHBondContact O-N 3.12Å; V365-R369 WeakPolarHBondContact O-CG 3.31Å; V365-R369 PolarHBondContact O-N 3.4Å; V365-M391 HydrophobicContact CB-CE 3.96Å; V365-M391 HydrophobicContact CB-SD 3.96Å; V365-M391 HydrophobicContact CG1-CE 3.8Å; V365-M391 HydrophobicContact CG1-SD 3.79Å
366	A	93.7	Very high	92.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-42.3	178.7	0	0	0	0	0	112.5	A362 Y363 N368 R369 L370 I385 I389 M391	A362-A366 WeakPolarHBondContact O-CB 3.49Å; A362-A366 PolarHBondContact O-N 3.47Å; Y363-A366 PolarHBondContact O-N 3.39Å; A366-N368 VanDerWaalsContact C-N 3.35Å; A366-R369 PolarHBondContact O-N 2.99Å; A366-L370 WeakPolarHBondContact O-CB 3.43Å; A366-L370 PolarHBondContact O-N 3.25Å; A366-I385 HydrophobicContact CB-CG2 4.15Å; A366-I389 HydrophobicContact CB-CD1 3.5Å; A366-M391 HydrophobicContact CB-CE 4.13Å
367	V	94.5	Very high	92.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-40.4	174.7	176.9	0	0	0	0	110.8	L63 Y363 R369 L370 L371 I379 I385	L63-V367 HydrophobicContact CD1-CB 4.27Å; L63-V367 HydrophobicContact CD1-CG1 4.27Å; L63-V367 HydrophobicContact CD2-CB 4.45Å; L63-V367 HydrophobicContact CD2-CG1 3.97Å; Y363-V367 HydrophobicContact CD2-CG2 3.93Å; Y363-V367 HydrophobicContact CE1-CG2 4.13Å; Y363-V367 HydrophobicContact CE2-CG2 3.49Å; Y363-V367 VanDerWaalsContact CE2-CG2 3.49Å; Y363-V367 HydrophobicContact CG-CG2 4.45Å; Y363-V367 WeakPolarHBondContact O-CG2 3.42Å; Y363-V367 PolarHBondContact O-N 3.1Å; V367-R369 PolarHBondContact O-N 3.35Å; V367-L370 PolarHBondContact O-N 3.31Å; V367-L371 HydrophobicContact CG1-CD1 3.83Å; V367-L371 HydrophobicContact CG1-CG 4.27Å; V367-L371 WeakPolarHBondContact O-CB 3.43Å; V367-L371 WeakPolarHBondContact O-CG 3.41Å; V367-L371 PolarHBondContact O-N 3.12Å; V367-I379 HydrophobicContact CG1-CG2 3.94Å; V367-I385 HydrophobicContact CG2-CD1 3.94Å; V367-I385 HydrophobicContact CG2-CG1 4.25Å; V367-I385 HydrophobicContact CG2-CG2 4.37Å
368	N	93.7	Very high	92.3	Very high	48 Å²	48	42.9 Å²	42.9	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-44.4	176.6	-166.2	55.9	0	0	0	111.9	V62 L63 A364 V365 A366 L371 T372	V62-N368 HydrophobicContact CG1-CB 3.72Å; L63-N368 HydrophobicContact CD2-CB 3.88Å; L63-N368 HydrophobicContact CG-CB 3.99Å; L63-N368 PolarHBondContact N-OD1 3.09Å; A364-N368 WeakPolarHBondContact O-CB 3.49Å; A364-N368 PolarHBondContact O-N 2.99Å; V365-N368 PolarHBondContact O-N 3.12Å; A366-N368 VanDerWaalsContact C-N 3.35Å; N368-L371 PolarHBondContact O-N 3.25Å; N368-T372 VanDerWaalsContact O-CB 3.32Å; N368-T372 WeakPolarHBondContact O-CB 3.3Å; N368-T372 PolarHBondContact O-N 3.34Å; N368-T372 PolarHBondContact O-OG1 3.17Å
369	R	93	Very high	92.1	Very high	109 Å²	109	44.1 Å²	44.1	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-60.8	-46	174.8	-73.6	174.8	179.1	-175	0.2	111.5	V365 A366 V367 T372 A373 G390	V365-R369 WeakPolarHBondContact O-CG 3.31Å; V365-R369 PolarHBondContact O-N 3.4Å; A366-R369 PolarHBondContact O-N 2.99Å; V367-R369 PolarHBondContact O-N 3.35Å; R369-T372 PolarHBondContact O-N 3.18Å; R369-A373 WeakPolarHBondContact O-CB 3.5Å; R369-A373 PolarHBondContact O-N 2.79Å; R369-G390 PolarHBondContact NH1-O 3.41Å
370	L	92.4	Very high	92	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-59.4	-48.3	178.3	176.5	60.7	0	0	0	111.9	A366 V367 T372 A373 N374 A377 M384 I385	A366-L370 WeakPolarHBondContact O-CB 3.43Å; A366-L370 PolarHBondContact O-N 3.25Å; V367-L370 PolarHBondContact O-N 3.31Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-A373 PolarHBondContact O-N 3.43Å; L370-N374 PolarHBondContact O-N 3.48Å; L370-A377 HydrophobicContact CD1-CB 3.74Å; L370-A377 HydrophobicContact CD2-CB 3.99Å; L370-A377 HydrophobicContact CG-CB 3.61Å; L370-M384 HydrophobicContact CD1-CE 3.85Å; L370-M384 HydrophobicContact CD1-CG 3.76Å; L370-M384 HydrophobicContact CD1-SD 3.83Å; L370-M384 HydrophobicContact CD2-CG 4.2Å; L370-M384 HydrophobicContact CD2-SD 4.4Å; L370-I385 HydrophobicContact CD2-CG1 3.87Å
371	L	92.2	Very high	91.8	Very high	25 Å²	25	49 Å²	49	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-71	-29.8	-179.7	-69.2	174.1	0	0	0	113	L63 F66 V367 N368 N374 P375 I379	L63-L371 HydrophobicContact CD2-CD1 3.93Å; F66-L371 HydrophobicContact CD2-CD1 4.4Å; F66-L371 HydrophobicContact CE1-CD1 4.33Å; F66-L371 HydrophobicContact CE2-CD1 3.46Å; F66-L371 VanDerWaalsContact CE2-CD1 3.46Å; F66-L371 HydrophobicContact CZ-CD1 3.41Å; F66-L371 VanDerWaalsContact CZ-CD1 3.41Å; V367-L371 HydrophobicContact CG1-CD1 3.83Å; V367-L371 HydrophobicContact CG1-CG 4.27Å; V367-L371 WeakPolarHBondContact O-CB 3.43Å; V367-L371 WeakPolarHBondContact O-CG 3.41Å; V367-L371 PolarHBondContact O-N 3.12Å; N368-L371 PolarHBondContact O-N 3.25Å; L371-N374 CarbonylContact O-C 3.51Å; L371-N374 VanDerWaalsContact O-C 3.31Å; L371-P375 WeakPolarHBondContact O-CA 3.47Å; L371-I379 HydrophobicContact CD1-CG2 4.18Å; L371-I379 HydrophobicContact CD2-CG2 4.08Å; L371-I379 HydrophobicContact CG-CG2 4.38Å
372	T	91	Very high	91.6	Very high	107 Å²	107	47.5 Å²	47.5	66%	0.656	25%	0.254	S	S	*	.	H	α-helix	trans	-67.7	-41.1	172.9	-58.1	0	0	0	0	110.9	N368 R369 L370	N368-T372 VanDerWaalsContact O-CB 3.32Å; N368-T372 WeakPolarHBondContact O-CB 3.3Å; N368-T372 PolarHBondContact O-N 3.34Å; N368-T372 PolarHBondContact O-OG1 3.17Å; R369-T372 PolarHBondContact O-N 3.18Å; L370-T372 VanDerWaalsContact C-N 3.35Å
373	A	90.7	Very high	91.5	Very high	83 Å²	83	49.3 Å²	49.3	69%	0.686	27%	0.265	S	S	*	.	H	α-helix	trans	-74	-37.9	177.4	0	0	0	0	0	112.7	R369 L370	R369-A373 WeakPolarHBondContact O-CB 3.5Å; R369-A373 PolarHBondContact O-N 2.79Å; L370-A373 PolarHBondContact O-N 3.43Å
374	N	90.4	Very high	91.3	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.364	28%	0.28	S	S	.	.			trans	-143.1	99.3	178.1	179.8	4.8	0	0	0	110.7	L370 L371 Q376 A377	L370-N374 PolarHBondContact O-N 3.48Å; L371-N374 CarbonylContact O-C 3.51Å; L371-N374 VanDerWaalsContact O-C 3.31Å; N374-Q376 PolarHBondContact O-N 3.33Å; N374-Q376 PolarHBondContact OD1-N 3.48Å; N374-Q376 VanDerWaalsContact OD1-N 3.07Å; N374-A377 HydrophobicContact CB-CB 4.15Å; N374-A377 VanDerWaalsContact O-CB 3.25Å; N374-A377 WeakPolarHBondContact O-CB 3.43Å; N374-A377 PolarHBondContact O-N 3.46Å
375	P	87.1	Confident	91.2	Very high	91 Å²	91	52.4 Å²	52.4	59%	0.591	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-14	180	-26.6	35.3	0	0	0	115.4	L371	L371-P375 WeakPolarHBondContact O-CA 3.47Å
376	Q	87.1	Confident	91	Very high	174 Å²	174	52.1 Å²	52.1	81%	0.813	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	5.3	177.8	-60.5	-66.7	-28.6	0	0	112.8	N374	N374-Q376 PolarHBondContact O-N 3.33Å; N374-Q376 PolarHBondContact OD1-N 3.48Å; N374-Q376 VanDerWaalsContact OD1-N 3.07Å
377	A	87.6	Confident	90.8	Very high	13 Å²	13	61.2 Å²	61.2	11%	0.107	31%	0.313	C	S	.	.			trans	-63.7	142.9	179.9	0	0	0	0	0	112.2	L370 N374 I379 M384	L370-A377 HydrophobicContact CD1-CB 3.74Å; L370-A377 HydrophobicContact CD2-CB 3.99Å; L370-A377 HydrophobicContact CG-CB 3.61Å; N374-A377 HydrophobicContact CB-CB 4.15Å; N374-A377 VanDerWaalsContact O-CB 3.25Å; N374-A377 WeakPolarHBondContact O-CB 3.43Å; N374-A377 PolarHBondContact O-N 3.46Å; A377-I379 PolarHBondContact O-N 3.1Å; A377-M384 HydrophobicContact CB-SD 4.37Å
378	E	88.8	Confident	90.6	Very high	122 Å²	122	63.8 Å²	63.8	57%	0.57	33%	0.326	S	S	*	.			trans	-82.3	112.4	178.9	-173.9	176.8	-164.4	0	0	110.5	R380 N381	E378-R380 HydrophobicContact CG-CB 4.18Å; E378-R380 PolarHBondContact O-N 3.38Å; E378-R380 VanDerWaalsContact O-N 3.15Å; E378-N381 HydrophobicContact CB-CB 4.29Å; E378-N381 WeakPolarHBondContact O-CB 3.43Å; E378-N381 PolarHBondContact O-N 3.35Å; E378-N381 VanDerWaalsContact O-N 3.11Å
379	I	88.4	Confident	90.4	Very high	31 Å²	31	61.6 Å²	61.6	16%	0.159	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.9	-179.2	62.9	168.1	0	0	0	114.1	I24 V367 L371 A377 I385	I24-I379 HydrophobicContact CD1-CD1 4.46Å; I24-I379 HydrophobicContact CG1-CD1 3.98Å; V367-I379 HydrophobicContact CG1-CG2 3.94Å; L371-I379 HydrophobicContact CD1-CG2 4.18Å; L371-I379 HydrophobicContact CD2-CG2 4.08Å; L371-I379 HydrophobicContact CG-CG2 4.38Å; A377-I379 PolarHBondContact O-N 3.1Å; I379-I385 WeakPolarHBondContact O-CD1 3.16Å
380	R	90.6	Very high	90.3	Very high	62 Å²	62	57.6 Å²	57.6	23%	0.234	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-13	176.1	-166.1	170.8	172.8	136	-1	112.2	L90 I119 E378 G382	L90-R380 PolarHBondContact O-NH2 3.38Å; I119-R380 HydrophobicContact CD1-CG 4.24Å; I119-R380 HydrophobicContact CG1-CG 3.69Å; E378-R380 HydrophobicContact CG-CB 4.18Å; E378-R380 PolarHBondContact O-N 3.38Å; E378-R380 VanDerWaalsContact O-N 3.15Å; R380-G382 PolarHBondContact O-N 3.01Å; R380-G382 VanDerWaalsContact O-N 3.09Å
381	N	92.5	Very high	90.2	Very high	40 Å²	40	58 Å²	58	21%	0.214	31%	0.31	C	S	.	.			trans	-79.6	91.7	-177.3	-170.6	-32.3	0	0	0	111.1	N118 E378 T383 M384 I385	N118-N381 VanDerWaalsContact ND2-CG 3.26Å; N118-N381 PolarHBondContact ND2-OD1 3.44Å; E378-N381 HydrophobicContact CB-CB 4.29Å; E378-N381 WeakPolarHBondContact O-CB 3.43Å; E378-N381 PolarHBondContact O-N 3.35Å; E378-N381 VanDerWaalsContact O-N 3.11Å; N381-T383 PolarHBondContact O-N 2.76Å; N381-M384 HydrophobicContact CB-CB 4.08Å; N381-M384 WeakPolarHBondContact O-CB 3.36Å; N381-M384 PolarHBondContact O-N 3.34Å; N381-M384 VanDerWaalsContact O-N 3.1Å; N381-M384 PolarHBondContact OD1-N 3.28Å; N381-I385 PolarHBondContact O-N 3.39Å; N381-I385 VanDerWaalsContact O-N 3.13Å
382	G	91.6	Very high	90.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.2	-42.7	-175.1	0	0	0	0	0	113.8	N118 P120 R380 M384 I385 L386	N118-G382 PolarHBondContact O-N 3.42Å; P120-G382 VanDerWaalsContact CD-CA 3.44Å; R380-G382 PolarHBondContact O-N 3.01Å; R380-G382 VanDerWaalsContact O-N 3.09Å; G382-M384 PolarHBondContact O-N 3.14Å; G382-I385 PolarHBondContact O-N 3.47Å; G382-L386 PolarHBondContact O-N 3.36Å
383	T	92.1	Very high	90.1	Very high	38 Å²	38	56.7 Å²	56.7	23%	0.233	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-38.1	177.9	-53.6	0	0	0	0	111.4	N118 N381 R387	N118-T383 WeakPolarHBondContact OD1-CB 3.41Å; N118-T383 PolarHBondContact OD1-N 3.42Å; N118-T383 VanDerWaalsContact OD1-N 3.13Å; N118-T383 PolarHBondContact OD1-OG1 3.48Å; N381-T383 PolarHBondContact O-N 2.76Å; T383-R387 WeakPolarHBondContact O-CG 3.44Å; T383-R387 PolarHBondContact O-N 3.1Å
384	M	90.7	Very high	89.9	Confident	65 Å²	65	57.5 Å²	57.5	32%	0.32	29%	0.29	S	S	.	.	H	α-helix	trans	-72.1	-37.7	179.3	-165.5	173.6	-156.4	0	0	112.3	L370 A377 N381 G382 N388	L370-M384 HydrophobicContact CD1-CE 3.85Å; L370-M384 HydrophobicContact CD1-CG 3.76Å; L370-M384 HydrophobicContact CD1-SD 3.83Å; L370-M384 HydrophobicContact CD2-CG 4.2Å; L370-M384 HydrophobicContact CD2-SD 4.4Å; A377-M384 HydrophobicContact CB-SD 4.37Å; N381-M384 HydrophobicContact CB-CB 4.08Å; N381-M384 WeakPolarHBondContact O-CB 3.36Å; N381-M384 PolarHBondContact O-N 3.34Å; N381-M384 VanDerWaalsContact O-N 3.1Å; N381-M384 PolarHBondContact OD1-N 3.28Å; G382-M384 PolarHBondContact O-N 3.14Å; M384-N388 PolarHBondContact O-ND2 3.27Å
385	I	92.1	Very high	89.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-45.5	176.5	-70.1	169.3	0	0	0	110.5	P120 Y363 A366 V367 L370 I379 N381 G382 R387 N388 I389	P120-I385 HydrophobicContact CG-CD1 3.97Å; Y363-I385 HydrophobicContact CD2-CG2 4.25Å; Y363-I385 HydrophobicContact CE2-CD1 4.08Å; Y363-I385 HydrophobicContact CE2-CG2 4.46Å; A366-I385 HydrophobicContact CB-CG2 4.15Å; V367-I385 HydrophobicContact CG2-CD1 3.94Å; V367-I385 HydrophobicContact CG2-CG1 4.25Å; V367-I385 HydrophobicContact CG2-CG2 4.37Å; L370-I385 HydrophobicContact CD2-CG1 3.87Å; I379-I385 WeakPolarHBondContact O-CD1 3.16Å; N381-I385 PolarHBondContact O-N 3.39Å; N381-I385 VanDerWaalsContact O-N 3.13Å; G382-I385 PolarHBondContact O-N 3.47Å; I385-R387 VanDerWaalsContact C-N 3.32Å; I385-R387 PolarHBondContact O-N 3Å; I385-N388 CarbonylContact O-C 3.47Å; I385-N388 WeakPolarHBondContact O-CA 2.99Å; I385-N388 PolarHBondContact O-N 3.36Å; I385-I389 PolarHBondContact O-N 3.32Å
386	L	91.2	Very high	89.7	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-30	-178.6	-88.8	32.6	0	0	0	113.1	P120 F122 P139 T140 G382 N388 I389	P120-L386 HydrophobicContact CB-CD1 4.33Å; F122-L386 HydrophobicContact CE1-CD1 4.26Å; F122-L386 HydrophobicContact CZ-CD1 3.82Å; P139-L386 WeakPolarHBondContact O-CD2 3.33Å; T140-L386 VanDerWaalsContact O-CD2 3.26Å; T140-L386 WeakPolarHBondContact O-CD2 3.5Å; G382-L386 PolarHBondContact O-N 3.36Å; L386-N388 PolarHBondContact O-N 3.07Å; L386-N388 VanDerWaalsContact O-N 3.14Å; L386-I389 WeakPolarHBondContact O-CB 3.17Å; L386-I389 WeakPolarHBondContact O-CG2 3.17Å; L386-I389 PolarHBondContact O-N 2.92Å
387	R	88.9	Confident	89.3	Confident	191 Å²	191	43.2 Å²	43.2	72%	0.721	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.2	168	-74.1	174.1	-178.3	-179.9	1.4	114.2	T383 I385	T383-R387 WeakPolarHBondContact O-CG 3.44Å; T383-R387 PolarHBondContact O-N 3.1Å; I385-R387 VanDerWaalsContact C-N 3.32Å; I385-R387 PolarHBondContact O-N 3Å
388	N	89.4	Confident	88.7	Confident	54 Å²	54	43.4 Å²	43.4	29%	0.289	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	6.7	179.5	-69.5	-86.5	0	0	0	113	M384 I385 L386 G390	M384-N388 PolarHBondContact O-ND2 3.27Å; I385-N388 CarbonylContact O-C 3.47Å; I385-N388 WeakPolarHBondContact O-CA 2.99Å; I385-N388 PolarHBondContact O-N 3.36Å; L386-N388 PolarHBondContact O-N 3.07Å; L386-N388 VanDerWaalsContact O-N 3.14Å; N388-G390 VanDerWaalsContact C-N 3.33Å
389	I	91.2	Very high	88.2	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.203	C	C	.	.			trans	-77.6	-17	-176.3	-154.7	63.2	0	0	0	113.2	F122 L142 A362 A366 I385 L386 M391 V403	F122-I389 HydrophobicContact CE1-CD1 3.97Å; F122-I389 HydrophobicContact CE1-CG1 4.43Å; F122-I389 HydrophobicContact CZ-CD1 4.18Å; L142-I389 HydrophobicContact CD2-CG1 3.76Å; L142-I389 HydrophobicContact CD2-CG2 4.35Å; A362-I389 HydrophobicContact CB-CD1 4.21Å; A362-I389 WeakPolarHBondContact O-CD1 3.44Å; A366-I389 HydrophobicContact CB-CD1 3.5Å; I385-I389 PolarHBondContact O-N 3.32Å; L386-I389 WeakPolarHBondContact O-CB 3.17Å; L386-I389 WeakPolarHBondContact O-CG2 3.17Å; L386-I389 PolarHBondContact O-N 2.92Å; I389-M391 HydrophobicContact CD1-CE 4.05Å; I389-M391 HydrophobicContact CG1-CE 4.49Å; I389-M391 WeakPolarHBondContact O-CE 3.31Å; I389-M391 VanDerWaalsContact O-CG 3.31Å; I389-M391 WeakPolarHBondContact O-CG 3.12Å; I389-M391 PolarHBondContact O-N 3.44Å; I389-V403 HydrophobicContact CG1-CG1 4.04Å; I389-V403 HydrophobicContact CG2-CG1 4.08Å
390	G	89.8	Confident	87.9	Confident	26 Å²	26	42.5 Å²	42.5	27%	0.268	22%	0.224	S	C	.	.			trans	-56.2	110.5	-177.7	0	0	0	0	0	113.1	R369 N388 V403	R369-G390 PolarHBondContact NH1-O 3.41Å; N388-G390 VanDerWaalsContact C-N 3.33Å; G390-V403 WeakPolarHBondContact CA-O 3.14Å
391	M	90.6	Very high	87.6	Confident	13 Å²	13	40.4 Å²	40.4	6%	0.064	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	160.7	-176.7	67	-174.9	80.6	0	0	113	A362 V365 A366 I389 F393 T402 V403	A362-M391 HydrophobicContact CB-CE 4.4Å; A362-M391 HydrophobicContact CB-SD 4.13Å; A362-M391 VanDerWaalsContact O-CE 3.31Å; A362-M391 WeakPolarHBondContact O-CE 3.33Å; V365-M391 HydrophobicContact CB-CE 3.96Å; V365-M391 HydrophobicContact CB-SD 3.96Å; V365-M391 HydrophobicContact CG1-CE 3.8Å; V365-M391 HydrophobicContact CG1-SD 3.79Å; A366-M391 HydrophobicContact CB-CE 4.13Å; I389-M391 HydrophobicContact CD1-CE 4.05Å; I389-M391 HydrophobicContact CG1-CE 4.49Å; I389-M391 WeakPolarHBondContact O-CE 3.31Å; I389-M391 VanDerWaalsContact O-CG 3.31Å; I389-M391 WeakPolarHBondContact O-CG 3.12Å; I389-M391 PolarHBondContact O-N 3.44Å; M391-F393 HydrophobicContact CG-CD1 3.84Å; M391-F393 HydrophobicContact CG-CE1 4.28Å; M391-F393 HydrophobicContact SD-CD1 3.88Å; M391-F393 HydrophobicContact SD-CE1 4.23Å; M391-T402 WeakPolarHBondContact O-CA 3.37Å; M391-V403 PolarHBondContact N-O 3.37Å; M391-V403 PolarHBondContact O-N 3.49Å
392	T	91	Very high	87.4	Confident	83 Å²	83	41 Å²	41	51%	0.509	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.3	162.6	-56.4	0	0	0	0	107.9	D400 L401 T402	T392-D400 HydrophobicContact CG2-CB 3.96Å; T392-L401 CarbonylContact C-O 3.57Å; T392-L401 VanDerWaalsContact CA-O 3.24Å; T392-L401 WeakPolarHBondContact CA-O 3.11Å; T392-T402 WeakPolarHBondContact CG2-OG1 3.31Å; T392-T402 PolarHBondContact OG1-OG1 3.33Å
393	F	89.7	Confident	87.2	Confident	21 Å²	21	41 Å²	41	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.5	178.7	67	-83	0	0	0	111.1	D358 Y361 A362 M391 G395 L401 V403	D358-F393 HydrophobicContact CB-CE2 4.17Å; D358-F393 HydrophobicContact CB-CZ 4.05Å; D358-F393 WeakPolarHBondContact O-CZ 3.47Å; Y361-F393 AromaticContact CD1-CD2 3.6Å; Y361-F393 HydrophobicContact CD1-CD2 3.6Å; Y361-F393 AromaticContact CD1-CE2 3.83Å; Y361-F393 HydrophobicContact CD1-CE2 3.83Å; Y361-F393 HydrophobicContact CD1-CG 4.11Å; Y361-F393 HydrophobicContact CE1-CB 4.23Å; Y361-F393 AromaticContact CE1-CD2 3.92Å; Y361-F393 HydrophobicContact CE1-CD2 3.92Å; Y361-F393 HydrophobicContact CE1-CG 4.19Å; A362-F393 HydrophobicContact CB-CE1 3.93Å; A362-F393 HydrophobicContact CB-CZ 4.13Å; M391-F393 HydrophobicContact CG-CD1 3.84Å; M391-F393 HydrophobicContact CG-CE1 4.28Å; M391-F393 HydrophobicContact SD-CD1 3.88Å; M391-F393 HydrophobicContact SD-CE1 4.23Å; F393-G395 PolarHBondContact O-N 3.33Å; F393-L401 HydrophobicContact CE1-CB 4.32Å; F393-L401 HydrophobicContact CE2-CD1 4.23Å; F393-L401 HydrophobicContact CZ-CB 4.28Å; F393-L401 HydrophobicContact CZ-CD1 4.22Å; F393-L401 PolarHBondContact N-O 3.44Å; F393-L401 PolarHBondContact O-N 3.06Å; F393-V403 HydrophobicContact CE1-CG2 4.18Å
394	E	88.1	Confident	86.6	Confident	99 Å²	99	42.2 Å²	42.2	46%	0.463	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	113.3	175.3	-170.8	-177.6	-179.7	0	0	109.9	Q318	Q318-E394 PolarHBondContact NE2-OE1 3.11Å
395	G	86	Confident	85.6	Confident	7 Å²	7	42 Å²	42	7%	0.072	23%	0.232	C	C	.	.			trans	-76.7	172.6	178.4	0	0	0	0	0	113.4	D358 F393 G397 G398 G399	D358-G395 VanDerWaalsContact OD1-CA 3.27Å; D358-G395 WeakPolarHBondContact OD1-CA 3.09Å; F393-G395 PolarHBondContact O-N 3.33Å; G395-G397 PolarHBondContact O-N 3.48Å; G395-G398 PolarHBondContact O-N 3.31Å; G395-G399 PolarHBondContact N-O 3.47Å
396	V	87.3	Confident	84.5	Confident	25 Å²	25	48.1 Å²	48.1	15%	0.152	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.7	-179.5	-62.9	0	0	0	0	114.3	Y319 F322 A357 D358 G398	Y319-V396 HydrophobicContact CD2-CG2 4.42Å; F322-V396 HydrophobicContact CD1-CB 4.42Å; F322-V396 HydrophobicContact CD2-CB 4.35Å; F322-V396 HydrophobicContact CD2-CG1 3.89Å; F322-V396 HydrophobicContact CE1-CG2 4.5Å; F322-V396 HydrophobicContact CE2-CG1 3.96Å; F322-V396 HydrophobicContact CG-CB 4.24Å; F322-V396 HydrophobicContact CG-CG1 4.29Å; F322-V396 HydrophobicContact CZ-CG1 4.4Å; A357-V396 HydrophobicContact CB-CG1 3.66Å; D358-V396 PolarHBondContact OD1-N 3.39Å; V396-G398 PolarHBondContact O-N 3.47Å
397	G	77.9	Confident	83.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.01	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-73.4	-11.4	173.8	0	0	0	0	0	114.8	G310 N312 T316 G395	G310-G397 WeakPolarHBondContact O-CA 3.45Å; G310-G397 PolarHBondContact O-N 3.24Å; N312-G397 PolarHBondContact ND2-O 3.48Å; T316-G397 WeakPolarHBondContact CG2-O 3.48Å; T316-G397 PolarHBondContact OG1-O 3.13Å; G395-G397 PolarHBondContact O-N 3.48Å
398	G	75.7	Confident	82.5	Confident	18 Å²	18	40 Å²	40	19%	0.186	24%	0.239	C	C	.	.	S	Bend	trans	81.8	17.3	-174.2	0	0	0	0	0	114.3	N312 G395 V396	N312-G398 PolarHBondContact ND2-O 3.27Å; G395-G398 PolarHBondContact O-N 3.31Å; V396-G398 PolarHBondContact O-N 3.47Å
399	G	77.4	Confident	82.2	Confident	18 Å²	18	38 Å²	38	19%	0.186	23%	0.227	C	C	.	.	S	Bend	trans	-116.1	158.1	176.2	0	0	0	0	0	111.1	N312 G395 L401	N312-G399 PolarHBondContact ND2-N 3.44Å; N312-G399 WeakPolarHBondContact OD1-CA 3.3Å; G395-G399 PolarHBondContact N-O 3.47Å; G399-L401 PolarHBondContact O-N 3.26Å
400	D	82.8	Confident	81.7	Confident	115 Å²	115	39 Å²	39	62%	0.615	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	120.8	177	-71.7	-24.3	0	0	0	110.7	T392	T392-D400 HydrophobicContact CG2-CB 3.96Å
401	L	84.5	Confident	81.5	Confident	18 Å²	18	38 Å²	38	9%	0.094	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.1	173.3	-69.8	176	0	0	0	109.5	D358 T392 F393 G399	D358-L401 HydrophobicContact CB-CD1 3.81Å; D358-L401 WeakPolarHBondContact OD2-CD1 3.25Å; T392-L401 CarbonylContact C-O 3.57Å; T392-L401 VanDerWaalsContact CA-O 3.24Å; T392-L401 WeakPolarHBondContact CA-O 3.11Å; F393-L401 HydrophobicContact CE1-CB 4.32Å; F393-L401 HydrophobicContact CE2-CD1 4.23Å; F393-L401 HydrophobicContact CZ-CB 4.28Å; F393-L401 HydrophobicContact CZ-CD1 4.22Å; F393-L401 PolarHBondContact N-O 3.44Å; F393-L401 PolarHBondContact O-N 3.06Å; G399-L401 PolarHBondContact O-N 3.26Å
402	T	87.4	Confident	81.2	Confident	52 Å²	52	40.3 Å²	40.3	32%	0.319	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.4	175.6	-59.5	0	0	0	0	110.4	M391 T392 T410	M391-T402 WeakPolarHBondContact O-CA 3.37Å; T392-T402 WeakPolarHBondContact CG2-OG1 3.31Å; T392-T402 PolarHBondContact OG1-OG1 3.33Å; T402-T410 PolarHBondContact O-N 3.39Å
403	V	87.1	Confident	81.2	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.4	174.2	-175.9	0	0	0	0	107.5	L142 F144 I389 G390 M391 F393	L142-V403 HydrophobicContact CD1-CG1 4.42Å; L142-V403 HydrophobicContact CD2-CG1 3.62Å; F144-V403 HydrophobicContact CE1-CG2 4.23Å; F144-V403 HydrophobicContact CZ-CG2 3.9Å; I389-V403 HydrophobicContact CG1-CG1 4.04Å; I389-V403 HydrophobicContact CG2-CG1 4.08Å; G390-V403 WeakPolarHBondContact CA-O 3.14Å; M391-V403 PolarHBondContact N-O 3.37Å; M391-V403 PolarHBondContact O-N 3.49Å; F393-V403 HydrophobicContact CE1-CG2 4.18Å
404	D	79.1	Confident	81.2	Confident	62 Å²	62	35.9 Å²	35.9	33%	0.332	21%	0.207	S	C	.	.			trans	-90.9	131.1	179.7	-173	-33.5	0	0	0	109.9	D406 S407	D404-D406 PolarHBondContact O-N 3.21Å; D404-D406 PolarHBondContact OD1-N 3.49Å; D404-S407 WeakPolarHBondContact CB-OG 3.38Å; D404-S407 PolarHBondContact O-N 3.01Å
405	P	69.5	Low	81.5	Confident	62 Å²	62	31.1 Å²	31.1	40%	0.403	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.5	177.4	-21.9	28.7	0	0	0	115.2
406	D	69.3	Low	81.8	Confident	128 Å²	128	31.5 Å²	31.5	68%	0.684	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	2.5	-174.2	-68	-36.3	0	0	0	112.2	V135 D404	V135-D406 WeakPolarHBondContact CG2-O 3.48Å; D404-D406 PolarHBondContact O-N 3.21Å; D404-D406 PolarHBondContact OD1-N 3.49Å
407	S	63.1	Low	82	Confident	25 Å²	25	30.3 Å²	30.3	18%	0.175	18%	0.178	C	C	.	.	S	Bend	trans	-148.4	-153.9	-175.6	90.3	0	0	0	0	113.4	L142 D404	L142-S407 WeakPolarHBondContact CD1-O 3.38Å; D404-S407 WeakPolarHBondContact CB-OG 3.38Å; D404-S407 PolarHBondContact O-N 3.01Å
408	A	76.2	Confident	82.7	Confident	10 Å²	10	30.6 Å²	30.6	8%	0.083	18%	0.179	C	C	.	.	S	Bend	trans	-95.4	-176.6	175.1	0	0	0	0	0	110.6	T133 P143 T410	T133-A408 HydrophobicContact CG2-CB 3.91Å; P143-A408 HydrophobicContact CG-CB 4.13Å; A408-T410 PolarHBondContact O-N 3.26Å
409	R	81.8	Confident	83.4	Confident	11 Å²	11	31.1 Å²	31.1	4%	0.042	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-55.1	131.4	164.1	-171.3	-173.4	80	169.3	-1.2	109.8	F144 D307 S411	F144-R409 PolarHBondContact O-NE 3.47Å; F144-R409 PolarHBondContact O-NH1 3.31Å; F144-R409 PolarHBondContact O-NH2 3.11Å; D307-R409 IonicContact OD1-NH2 2.76Å; D307-R409 IonicContact OD2-NH2 3.91Å; R409-S411 PolarHBondContact O-N 3.3Å; R409-S411 VanDerWaalsContact O-N 3.15Å; R409-S411 PolarHBondContact O-OG 3.39Å
410	T	82.4	Confident	83.8	Confident	22 Å²	22	34.9 Å²	34.9	14%	0.135	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-52	124.4	170.4	-70.6	0	0	0	0	108.6	T402 A408 I431 N433	T402-T410 PolarHBondContact O-N 3.39Å; A408-T410 PolarHBondContact O-N 3.26Å; T410-I431 HydrophobicContact CG2-CG2 3.79Å; T410-N433 WeakPolarHBondContact CG2-OD1 3.1Å; T410-N433 PolarHBondContact OG1-OD1 3.24Å
411	S	84	Confident	84	Confident	6 Å²	6	33.1 Å²	33.1	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.6	-174.8	-68.1	0	0	0	0	109.8	R409 I432	R409-S411 PolarHBondContact O-N 3.3Å; R409-S411 VanDerWaalsContact O-N 3.15Å; R409-S411 PolarHBondContact O-OG 3.39Å; S411-I432 PolarHBondContact N-O 3.18Å; S411-I432 PolarHBondContact O-N 2.72Å
412	E	85.5	Confident	84	Confident	62 Å²	62	36.2 Å²	36.2	29%	0.29	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	113	173.8	-59.6	-166.2	149.9	0	0	109.3	K429	E412-K429 WeakPolarHBondContact OE1-CE 3.49Å; E412-K429 IonicContact OE1-NZ 2.67Å; E412-K429 PolarHBondContact OE1-NZ 3.43Å; E412-K429 WeakPolarHBondContact OE2-CE 3.16Å; E412-K429 IonicContact OE2-NZ 2.85Å; E412-K429 PolarHBondContact OE2-NZ 3.39Å
413	I	89.8	Confident	84	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128	179.9	-68.7	173.1	0	0	0	108.6	V146 L151 A154 L305 V306 L430 I432	V146-I413 HydrophobicContact CG1-CD1 4.06Å; V146-I413 HydrophobicContact CG1-CG1 4.43Å; L151-I413 HydrophobicContact CD2-CD1 3.72Å; L151-I413 HydrophobicContact CG-CD1 4.47Å; A154-I413 HydrophobicContact CB-CB 4.1Å; A154-I413 HydrophobicContact CB-CD1 3.53Å; A154-I413 HydrophobicContact CB-CG1 4.41Å; A154-I413 HydrophobicContact CB-CG2 3.83Å; L305-I413 HydrophobicContact CB-CG2 3.84Å; V306-I413 CarbonylContact O-C 3.51Å; V306-I413 WeakPolarHBondContact O-CA 3.12Å; I413-L430 HydrophobicContact CB-CB 4.34Å; I413-L430 PolarHBondContact N-O 3.47Å; I413-L430 WeakPolarHBondContact O-CD1 3.09Å; I413-L430 PolarHBondContact O-N 3.48Å; I413-I432 HydrophobicContact CD1-CD1 3.53Å; I413-I432 HydrophobicContact CG1-CD1 4.15Å
414	I	90.8	Very high	84.1	Confident	10 Å²	10	39.5 Å²	39.5	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.6	177.7	59.8	175.3	0	0	0	110.6	L305 V306 N308 I416 T426	L305-I414 WeakPolarHBondContact CA-O 3.43Å; V306-I414 HydrophobicContact CG2-CD1 3.92Å; V306-I414 HydrophobicContact CG2-CG1 3.46Å; V306-I414 VanDerWaalsContact CG2-CG1 3.46Å; V306-I414 PolarHBondContact N-O 3.11Å; V306-I414 WeakPolarHBondContact O-CG1 3.35Å; V306-I414 PolarHBondContact O-N 2.97Å; N308-I414 HydrophobicContact CB-CD1 4.2Å; I414-I416 HydrophobicContact CD1-CD1 3.8Å; I414-I416 HydrophobicContact CD1-CG1 4.14Å; I414-I416 HydrophobicContact CG1-CD1 4.18Å; I414-I416 HydrophobicContact CG1-CG1 4.17Å; I414-T426 HydrophobicContact CB-CG2 4.06Å; I414-T426 HydrophobicContact CG2-CG2 4.49Å
415	M	93.4	Very high	84.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.8	175.6	-175	178.1	75.8	0	0	110	T158 F162 L303 F304 L305 T426 Y427 G428 L430 F439	T158-M415 HydrophobicContact CG2-SD 3.77Å; F162-M415 HydrophobicContact CE2-CE 3.78Å; F162-M415 HydrophobicContact CE2-SD 3.81Å; F162-M415 HydrophobicContact CZ-CE 3.76Å; F162-M415 HydrophobicContact CZ-SD 4.39Å; L303-M415 HydrophobicContact CD1-SD 4.32Å; F304-M415 CarbonylContact O-C 3.54Å; F304-M415 VanDerWaalsContact O-CA 3.3Å; F304-M415 WeakPolarHBondContact O-CA 3.47Å; L305-M415 HydrophobicContact CD2-CB 3.77Å; L305-M415 HydrophobicContact CD2-CG 3.76Å; L305-M415 HydrophobicContact CD2-SD 4.39Å; M415-T426 CarbonylContact O-C 3.58Å; M415-T426 WeakPolarHBondContact O-CA 3.47Å; M415-Y427 PolarHBondContact O-N 3.49Å; M415-G428 PolarHBondContact N-O 3.33Å; M415-L430 HydrophobicContact CB-CD1 4.13Å; M415-F439 HydrophobicContact CE-CE2 4.03Å; M415-F439 HydrophobicContact CE-CZ 3.7Å; M415-F439 HydrophobicContact SD-CE2 4.13Å; M415-F439 HydrophobicContact SD-CZ 4.41Å
416	I	92.1	Very high	85.6	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.8	-176.9	-51.4	175	0	0	0	109.6	F267 L303 F304 V306 I414 P424 E425	F267-I416 HydrophobicContact CD2-CG2 3.97Å; F267-I416 HydrophobicContact CE2-CG2 4.13Å; L303-I416 CarbonylContact C-O 3.54Å; L303-I416 WeakPolarHBondContact CA-O 3.29Å; F304-I416 HydrophobicContact CB-CB 4.39Å; F304-I416 PolarHBondContact N-O 3.35Å; F304-I416 PolarHBondContact O-N 2.95Å; V306-I416 HydrophobicContact CG2-CD1 3.63Å; V306-I416 HydrophobicContact CG2-CG1 4.29Å; I414-I416 HydrophobicContact CD1-CD1 3.8Å; I414-I416 HydrophobicContact CD1-CG1 4.14Å; I414-I416 HydrophobicContact CG1-CD1 4.18Å; I414-I416 HydrophobicContact CG1-CG1 4.17Å; I416-P424 HydrophobicContact CG2-CB 4.01Å; I416-E425 WeakPolarHBondContact CA-O 3.11Å
417	G	92.8	Very high	86.7	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	-165.6	169.4	0	0	0	0	0	111.9	P424 E425	G417-P424 CarbonylContact O-C 3.46Å; G417-P424 VanDerWaalsContact O-CA 3.31Å; G417-P424 WeakPolarHBondContact O-CA 3.46Å; G417-E425 PolarHBondContact N-O 3.23Å; G417-E425 PolarHBondContact O-N 3.2Å
418	L	92	Very high	88	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.4	175.2	-65.3	-179.6	0	0	0	110.7	F267 W280 M299 L423 P424 Y427 N452	F267-L418 HydrophobicContact CD1-CD2 4.2Å; F267-L418 HydrophobicContact CD2-CD2 3.98Å; F267-L418 HydrophobicContact CE1-CD1 4.13Å; F267-L418 HydrophobicContact CE1-CD2 4.11Å; F267-L418 HydrophobicContact CE1-CG 3.95Å; F267-L418 HydrophobicContact CE2-CD2 3.91Å; F267-L418 HydrophobicContact CE2-CG 4.02Å; F267-L418 HydrophobicContact CG-CD2 4.13Å; F267-L418 HydrophobicContact CZ-CD1 4.3Å; F267-L418 HydrophobicContact CZ-CD2 3.97Å; F267-L418 HydrophobicContact CZ-CG 3.68Å; W280-L418 HydrophobicContact CH2-CD2 4.03Å; W280-L418 HydrophobicContact CZ3-CD1 4.37Å; W280-L418 HydrophobicContact CZ3-CD2 3.93Å; M299-L418 HydrophobicContact CB-CD1 4.23Å; L418-L423 WeakPolarHBondContact CA-O 3.26Å; L418-P424 HydrophobicContact CD2-CG 4.19Å; L418-Y427 PolarHBondContact O-OH 3.17Å; L418-N452 PolarHBondContact O-ND2 3.06Å; L418-N452 VanDerWaalsContact O-ND2 3.14Å
419	N	89.8	Confident	88.7	Confident	29 Å²	29	34 Å²	34	16%	0.155	19%	0.186	C	C	.	.			trans	-78.9	-175.3	178.1	71.5	12.9	0	0	0	112.7	S421 R422 L423 E425 Y427 N452	N419-S421 PolarHBondContact O-N 3.29Å; N419-S421 WeakPolarHBondContact OD1-CA 3.48Å; N419-S421 WeakPolarHBondContact OD1-CB 3.4Å; N419-S421 PolarHBondContact OD1-N 2.87Å; N419-R422 WeakPolarHBondContact O-CA 3.31Å; N419-R422 PolarHBondContact O-N 3.31Å; N419-R422 PolarHBondContact OD1-N 3.46Å; N419-L423 PolarHBondContact N-O 2.93Å; N419-L423 PolarHBondContact OD1-N 2.98Å; N419-L423 PolarHBondContact OD1-O 3.4Å; N419-E425 HydrophobicContact CB-CB 4.15Å; N419-E425 WeakPolarHBondContact CB-OE2 3.36Å; N419-E425 PolarHBondContact ND2-OE2 3.49Å; N419-Y427 WeakPolarHBondContact CA-OH 2.95Å; N419-Y427 PolarHBondContact N-OH 3.06Å; N419-N452 VanDerWaalsContact C-OD1 3.26Å
420	S	86.4	Confident	89.2	Confident	97 Å²	97	33.5 Å²	33.5	68%	0.678	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.1	-178.5	60.5	0	0	0	0	113.4	R422 N452	S420-R422 VanDerWaalsContact C-N 3.28Å; S420-N452 WeakPolarHBondContact CA-OD1 3.48Å; S420-N452 PolarHBondContact N-OD1 3.09Å
421	S	86.3	Confident	89.6	Confident	78 Å²	78	34.5 Å²	34.5	55%	0.545	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.1	173.7	-61.5	0	0	0	0	113.5	N419 L423	N419-S421 PolarHBondContact O-N 3.29Å; N419-S421 WeakPolarHBondContact OD1-CA 3.48Å; N419-S421 WeakPolarHBondContact OD1-CB 3.4Å; N419-S421 PolarHBondContact OD1-N 2.87Å; S421-L423 VanDerWaalsContact C-N 3.28Å; S421-L423 PolarHBondContact O-N 3.34Å
422	R	85.6	Confident	89.7	Confident	83 Å²	83	34.4 Å²	34.4	31%	0.313	19%	0.187	S	C	.	.	S	Bend	trans	58.7	37.5	-176.7	-54.3	175	-179.4	-164.9	-11.2	112.9	E293 R296 T297 N419 S420	E293-R422 IonicContact OE1-CZ 2.81Å; E293-R422 IonicContact OE1-NH1 2.63Å; E293-R422 PolarHBondContact OE1-NH1 3.19Å; R296-R422 HydrophobicContact CG-CB 4.21Å; T297-R422 PolarHBondContact OG1-NH1 3.05Å; N419-R422 WeakPolarHBondContact O-CA 3.31Å; N419-R422 PolarHBondContact O-N 3.31Å; N419-R422 PolarHBondContact OD1-N 3.46Å; S420-R422 VanDerWaalsContact C-N 3.28Å
423	L	87.9	Confident	89.3	Confident	79 Å²	79	35.1 Å²	35.1	41%	0.414	19%	0.193	S	C	.	.			trans	-106.1	147.2	171.4	-65.2	175	0	0	0	109.5	L418 N419 S421 E425	L418-L423 WeakPolarHBondContact CA-O 3.26Å; N419-L423 PolarHBondContact N-O 2.93Å; N419-L423 PolarHBondContact OD1-N 2.98Å; N419-L423 PolarHBondContact OD1-O 3.4Å; S421-L423 VanDerWaalsContact C-N 3.28Å; S421-L423 PolarHBondContact O-N 3.34Å; L423-E425 PolarHBondContact O-N 3.39Å
424	P	89.1	Confident	88.4	Confident	43 Å²	43	39.6 Å²	39.6	28%	0.279	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	131	176.5	-25.6	37.3	0	0	0	111.8	F267 Y278 W280 I416 G417 L418	F267-P424 HydrophobicContact CB-CB 4.41Å; F267-P424 HydrophobicContact CB-CG 3.73Å; F267-P424 HydrophobicContact CD2-CB 4Å; F267-P424 HydrophobicContact CD2-CG 4.04Å; F267-P424 HydrophobicContact CG-CG 4.16Å; Y278-P424 HydrophobicContact CD1-CG 4.34Å; Y278-P424 HydrophobicContact CE1-CG 3.86Å; W280-P424 HydrophobicContact CH2-CG 4.23Å; I416-P424 HydrophobicContact CG2-CB 4.01Å; G417-P424 CarbonylContact O-C 3.46Å; G417-P424 VanDerWaalsContact O-CA 3.31Å; G417-P424 WeakPolarHBondContact O-CA 3.46Å; L418-P424 HydrophobicContact CD2-CG 4.19Å
425	E	89.5	Confident	87.6	Confident	86 Å²	86	46.3 Å²	46.3	40%	0.402	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.3	178.6	-173.4	161.3	-178.6	0	0	110.5	I416 G417 N419 L423 Y427	I416-E425 WeakPolarHBondContact CA-O 3.11Å; G417-E425 PolarHBondContact N-O 3.23Å; G417-E425 PolarHBondContact O-N 3.2Å; N419-E425 HydrophobicContact CB-CB 4.15Å; N419-E425 WeakPolarHBondContact CB-OE2 3.36Å; N419-E425 PolarHBondContact ND2-OE2 3.49Å; L423-E425 PolarHBondContact O-N 3.39Å; E425-Y427 HydrophobicContact CB-CE1 4.07Å; E425-Y427 HydrophobicContact CG-CD1 4.37Å; E425-Y427 HydrophobicContact CG-CE1 4Å
426	T	90.2	Very high	87.2	Confident	40 Å²	40	49.5 Å²	49.5	25%	0.245	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.7	179.5	-54.8	0	0	0	0	109.8	I414 M415 L442	I414-T426 HydrophobicContact CB-CG2 4.06Å; I414-T426 HydrophobicContact CG2-CG2 4.49Å; M415-T426 CarbonylContact O-C 3.58Å; M415-T426 WeakPolarHBondContact O-CA 3.47Å; T426-L442 HydrophobicContact CG2-CD1 3.97Å
427	Y	91.9	Very high	87	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-20.1	-176.9	-65.8	-40.3	0	0	0	113.5	L303 M415 L418 N419 E425 L442 Y443 D449 V450	L303-Y427 HydrophobicContact CD2-CD2 4.3Å; L303-Y427 HydrophobicContact CD2-CE2 4.44Å; M415-Y427 PolarHBondContact O-N 3.49Å; L418-Y427 PolarHBondContact O-OH 3.17Å; N419-Y427 WeakPolarHBondContact CA-OH 2.95Å; N419-Y427 PolarHBondContact N-OH 3.06Å; E425-Y427 HydrophobicContact CB-CE1 4.07Å; E425-Y427 HydrophobicContact CG-CD1 4.37Å; E425-Y427 HydrophobicContact CG-CE1 4Å; Y427-L442 PolarHBondContact O-N 3.46Å; Y427-Y443 WeakPolarHBondContact O-CD1 3.49Å; Y427-Y443 PolarHBondContact O-N 3.04Å; Y427-D449 WeakPolarHBondContact CE1-O 3.1Å; Y427-D449 PolarHBondContact OH-O 2.92Å; Y427-D449 VanDerWaalsContact OH-O 3.12Å; Y427-V450 HydrophobicContact CD1-CG2 4.17Å; Y427-V450 HydrophobicContact CD2-CB 4.48Å; Y427-V450 HydrophobicContact CD2-CG1 4.07Å; Y427-V450 HydrophobicContact CD2-CG2 4.24Å; Y427-V450 HydrophobicContact CE2-CG1 4.21Å; Y427-V450 HydrophobicContact CG-CG2 3.99Å
428	G	91.5	Very high	87	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	165.8	178.9	0	0	0	0	0	113.2	M415 E440	M415-G428 PolarHBondContact N-O 3.33Å; G428-E440 CarbonylContact C-O 3.58Å; G428-E440 WeakPolarHBondContact CA-O 3.39Å
429	K	90.7	Very high	87.1	Confident	43 Å²	43	57.4 Å²	57.4	19%	0.187	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133	176	179	-179.2	174.7	-178.2	0	109.1	E412 I431 E440	E412-K429 WeakPolarHBondContact OE1-CE 3.49Å; E412-K429 IonicContact OE1-NZ 2.67Å; E412-K429 PolarHBondContact OE1-NZ 3.43Å; E412-K429 WeakPolarHBondContact OE2-CE 3.16Å; E412-K429 IonicContact OE2-NZ 2.85Å; E412-K429 PolarHBondContact OE2-NZ 3.39Å; K429-I431 HydrophobicContact CG-CG1 4.35Å; K429-E440 HydrophobicContact CB-CB 4.23Å; K429-E440 PolarHBondContact N-O 3.16Å; K429-E440 PolarHBondContact O-N 2.92Å
430	L	92.4	Very high	87.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.3	180	-62.4	96.1	0	0	0	108.6	A154 L305 I413 M415 V437 H438 F439	A154-L430 HydrophobicContact CB-CB 4.43Å; A154-L430 HydrophobicContact CB-CD2 3.98Å; A154-L430 WeakPolarHBondContact O-CD2 3.48Å; L305-L430 HydrophobicContact CD2-CD1 4.07Å; I413-L430 HydrophobicContact CB-CB 4.34Å; I413-L430 PolarHBondContact N-O 3.47Å; I413-L430 WeakPolarHBondContact O-CD1 3.09Å; I413-L430 PolarHBondContact O-N 3.48Å; M415-L430 HydrophobicContact CB-CD1 4.13Å; L430-V437 HydrophobicContact CB-CG2 4.28Å; L430-V437 HydrophobicContact CD2-CG2 4.1Å; L430-H438 WeakPolarHBondContact CA-O 3.22Å; L430-F439 HydrophobicContact CD1-CD2 4.14Å; L430-F439 HydrophobicContact CD1-CE2 4.13Å; L430-F439 HydrophobicContact CD2-CD2 3.92Å; L430-F439 HydrophobicContact CG-CD2 3.74Å; L430-F439 HydrophobicContact CG-CE2 4.26Å
431	I	89.2	Confident	87.5	Confident	43 Å²	43	59.6 Å²	59.6	22%	0.221	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.5	178.3	-56.3	172.3	0	0	0	107.7	T410 K429 H438	T410-I431 HydrophobicContact CG2-CG2 3.79Å; K429-I431 HydrophobicContact CG-CG1 4.35Å; I431-H438 PolarHBondContact N-O 2.9Å; I431-H438 PolarHBondContact O-N 3.16Å
432	I	87.1	Confident	87.7	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.7	-174.6	-63.1	144.9	0	0	0	110	S150 M153 A154 S411 I413 S436 V437	S150-I432 WeakPolarHBondContact O-CD1 3.27Å; M153-I432 HydrophobicContact CB-CG1 4.32Å; M153-I432 HydrophobicContact CB-CG2 4.12Å; A154-I432 HydrophobicContact CB-CD1 4.06Å; S411-I432 PolarHBondContact N-O 3.18Å; S411-I432 PolarHBondContact O-N 2.72Å; I413-I432 HydrophobicContact CD1-CD1 3.53Å; I413-I432 HydrophobicContact CG1-CD1 4.15Å; I432-S436 WeakPolarHBondContact CA-O 3.49Å; I432-V437 HydrophobicContact CG1-CB 4.4Å; I432-V437 HydrophobicContact CG1-CG2 4.06Å
433	N	77.1	Confident	88	Confident	77 Å²	77	56.2 Å²	56.2	41%	0.412	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	91.5	174.2	-71.7	-14.5	0	0	0	108.2	T410 Q435 S436	T410-N433 WeakPolarHBondContact CG2-OD1 3.1Å; T410-N433 PolarHBondContact OG1-OD1 3.24Å; N433-Q435 VanDerWaalsContact C-N 3.3Å; N433-Q435 PolarHBondContact O-N 3.08Å; N433-S436 PolarHBondContact N-O 3.22Å; N433-S436 PolarHBondContact O-N 3.5Å; N433-S436 PolarHBondContact O-OG 2.47Å
434	N	70.5	Confident	88.1	Confident	94 Å²	94	58 Å²	58	50%	0.503	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-76.8	178.4	-162.2	5.7	0	0	0	114.7	Y149	Y149-N434 WeakPolarHBondContact CE1-O 3.28Å
435	Q	75.2	Confident	88.2	Confident	152 Å²	152	59.6 Å²	59.6	71%	0.71	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-7.2	-177.8	-63.8	-177	-9.3	0	0	114.1	M153 N433	M153-Q435 WeakPolarHBondContact CE-O 3.35Å; N433-Q435 VanDerWaalsContact C-N 3.3Å; N433-Q435 PolarHBondContact O-N 3.08Å
436	S	83.1	Confident	88.3	Confident	67 Å²	67	57.3 Å²	57.3	47%	0.469	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.8	179.1	64.8	0	0	0	0	111.1	I432 N433	I432-S436 WeakPolarHBondContact CA-O 3.49Å; N433-S436 PolarHBondContact N-O 3.22Å; N433-S436 PolarHBondContact O-N 3.5Å; N433-S436 PolarHBondContact O-OG 2.47Å
437	V	89.3	Confident	88.3	Confident	38 Å²	38	58.5 Å²	58.5	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.8	172.6	59.4	0	0	0	0	108.4	M153 L156 L430 I432	M153-V437 HydrophobicContact CE-CB 4.49Å; M153-V437 HydrophobicContact CE-CG1 4.39Å; L156-V437 HydrophobicContact CD2-CG1 4.19Å; L430-V437 HydrophobicContact CB-CG2 4.28Å; L430-V437 HydrophobicContact CD2-CG2 4.1Å; I432-V437 HydrophobicContact CG1-CB 4.4Å; I432-V437 HydrophobicContact CG1-CG2 4.06Å
438	H	92.2	Very high	88.2	Confident	125 Å²	125	63.5 Å²	63.5	58%	0.579	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	123.2	172.5	-176.4	67.1	0	0	0	109.3	L430 I431	L430-H438 WeakPolarHBondContact CA-O 3.22Å; I431-H438 PolarHBondContact N-O 2.9Å; I431-H438 PolarHBondContact O-N 3.16Å
439	F	93.3	Very high	88.1	Confident	25 Å²	25	66.3 Å²	66.3	11%	0.11	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111	176	-173	-81.1	0	0	0	109.4	Q161 M415 L430 Q441 Y443	Q161-F439 HydrophobicContact CB-CD1 4.29Å; Q161-F439 HydrophobicContact CB-CD2 4.15Å; Q161-F439 HydrophobicContact CB-CE2 4.4Å; Q161-F439 HydrophobicContact CB-CG 4.12Å; Q161-F439 HydrophobicContact CG-CD1 3.68Å; Q161-F439 HydrophobicContact CG-CD2 4.27Å; Q161-F439 HydrophobicContact CG-CE1 3.63Å; Q161-F439 HydrophobicContact CG-CE2 4.24Å; Q161-F439 HydrophobicContact CG-CG 4.03Å; Q161-F439 HydrophobicContact CG-CZ 3.94Å; M415-F439 HydrophobicContact CE-CE2 4.03Å; M415-F439 HydrophobicContact CE-CZ 3.7Å; M415-F439 HydrophobicContact SD-CE2 4.13Å; M415-F439 HydrophobicContact SD-CZ 4.41Å; L430-F439 HydrophobicContact CD1-CD2 4.14Å; L430-F439 HydrophobicContact CD1-CE2 4.13Å; L430-F439 HydrophobicContact CD2-CD2 3.92Å; L430-F439 HydrophobicContact CG-CD2 3.74Å; L430-F439 HydrophobicContact CG-CE2 4.26Å; F439-Q441 HydrophobicContact CD1-CB 4.4Å; F439-Q441 HydrophobicContact CE1-CB 4.08Å; F439-Y443 HydrophobicContact CE1-CE1 4.31Å; F439-Y443 HydrophobicContact CZ-CE1 4.41Å
440	E	92.8	Very high	88.1	Confident	80 Å²	80	64.6 Å²	64.6	37%	0.374	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113.5	170.2	-175.8	-174.9	168.5	0	0	108.9	G428 K429 L442	G428-E440 CarbonylContact C-O 3.58Å; G428-E440 WeakPolarHBondContact CA-O 3.39Å; K429-E440 HydrophobicContact CB-CB 4.23Å; K429-E440 PolarHBondContact N-O 3.16Å; K429-E440 PolarHBondContact O-N 2.92Å; E440-L442 HydrophobicContact CG-CD2 4.35Å
441	Q	91.8	Very high	88.1	Confident	92 Å²	92	64.9 Å²	64.9	43%	0.43	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.2	178.9	174.7	179.3	-37	0	0	110.7	F439 Y443	F439-Q441 HydrophobicContact CD1-CB 4.4Å; F439-Q441 HydrophobicContact CE1-CB 4.08Å; Q441-Y443 HydrophobicContact CG-CD1 3.93Å; Q441-Y443 HydrophobicContact CG-CD2 3.79Å; Q441-Y443 HydrophobicContact CG-CE1 3.83Å; Q441-Y443 HydrophobicContact CG-CE2 3.66Å; Q441-Y443 HydrophobicContact CG-CG 3.91Å; Q441-Y443 VanDerWaalsContact CG-O 3.31Å; Q441-Y443 WeakPolarHBondContact CG-O 3.43Å; Q441-Y443 VanDerWaalsContact NE2-CE2 3.33Å; Q441-Y443 PolarHBondContact NE2-O 3.41Å
442	L	92.3	Very high	88	Confident	75 Å²	75	65.3 Å²	65.3	39%	0.393	35%	0.346	S	S	.	.			trans	-108.6	-7.9	176.9	-59.1	177.4	0	0	0	113.3	T426 Y427 E440	T426-L442 HydrophobicContact CG2-CD1 3.97Å; Y427-L442 PolarHBondContact O-N 3.46Å; E440-L442 HydrophobicContact CG-CD2 4.35Å
443	Y	91.2	Very high	87.9	Confident	14 Å²	14	67.2 Å²	67.2	6%	0.055	37%	0.367	C	S	.	.			trans	-88.6	154.9	170.7	57	-96.8	0	0	0	112.2	Q161 F162 Y427 F439 Q441 E446 V450	Q161-Y443 PolarHBondContact NE2-OH 3.32Å; Q161-Y443 VanDerWaalsContact NE2-OH 3.16Å; F162-Y443 HydrophobicContact CZ-CE1 4.45Å; Y427-Y443 WeakPolarHBondContact O-CD1 3.49Å; Y427-Y443 PolarHBondContact O-N 3.04Å; F439-Y443 HydrophobicContact CE1-CE1 4.31Å; F439-Y443 HydrophobicContact CZ-CE1 4.41Å; Q441-Y443 HydrophobicContact CG-CD1 3.93Å; Q441-Y443 HydrophobicContact CG-CD2 3.79Å; Q441-Y443 HydrophobicContact CG-CE1 3.83Å; Q441-Y443 HydrophobicContact CG-CE2 3.66Å; Q441-Y443 HydrophobicContact CG-CG 3.91Å; Q441-Y443 VanDerWaalsContact CG-O 3.31Å; Q441-Y443 WeakPolarHBondContact CG-O 3.43Å; Q441-Y443 VanDerWaalsContact NE2-CE2 3.33Å; Q441-Y443 PolarHBondContact NE2-O 3.41Å; Y443-E446 HydrophobicContact CD2-CB 4.09Å; Y443-E446 HydrophobicContact CE2-CB 3.65Å; Y443-E446 HydrophobicContact CE2-CG 3.93Å; Y443-V450 HydrophobicContact CD1-CG2 3.43Å; Y443-V450 VanDerWaalsContact CD1-CG2 3.43Å; Y443-V450 HydrophobicContact CD2-CG2 4.17Å; Y443-V450 HydrophobicContact CE1-CG2 3.77Å; Y443-V450 HydrophobicContact CE2-CG2 4.46Å; Y443-V450 HydrophobicContact CG-CG2 3.66Å
444	S	89.8	Confident	88.4	Confident	117 Å²	117	67 Å²	67	82%	0.818	36%	0.361	S	S	*	.	S	Bend	trans	-96.7	-43.6	177.6	-64.4	0	0	0	0	112.2	D449	S444-D449 PolarHBondContact N-OD2 3.36Å
445	D	90.6	Very high	89.3	Confident	77 Å²	77	69.9 Å²	69.9	41%	0.412	37%	0.371	S	S	.	.			trans	-126.3	110	177	-179.8	-14.6	0	0	0	109.1	V447 M448 D449	D445-V447 VanDerWaalsContact C-N 3.28Å; D445-V447 PolarHBondContact O-N 3.13Å; D445-V447 WeakPolarHBondContact OD1-CB 3.48Å; D445-V447 PolarHBondContact OD1-N 2.82Å; D445-M448 HydrophobicContact CB-CB 4.18Å; D445-M448 PolarHBondContact O-N 2.87Å; D445-M448 PolarHBondContact OD1-N 2.63Å; D445-M448 WeakPolarHBondContact OD2-CG 3.4Å; D445-D449 PolarHBondContact N-OD2 3.33Å; D445-D449 WeakPolarHBondContact O-CB 3.26Å; D445-D449 PolarHBondContact O-N 2.84Å
446	E	91.4	Very high	90.1	Very high	38 Å²	38	65.6 Å²	65.6	18%	0.178	35%	0.348	C	S	.	.	I	π-helix	trans	-56.6	-40.3	-178.5	-167.6	-162.1	144.3	0	0	113.5	F162 Y443 V450 W451 R456	F162-E446 HydrophobicContact CE1-CG 4Å; Y443-E446 HydrophobicContact CD2-CB 4.09Å; Y443-E446 HydrophobicContact CE2-CB 3.65Å; Y443-E446 HydrophobicContact CE2-CG 3.93Å; E446-V450 HydrophobicContact CG-CB 4.31Å; E446-V450 HydrophobicContact CG-CG2 4.28Å; E446-V450 WeakPolarHBondContact O-CB 3.38Å; E446-V450 PolarHBondContact O-N 2.84Å; E446-V450 VanDerWaalsContact O-N 3.09Å; E446-W451 VanDerWaalsContact O-CD1 3.26Å; E446-W451 PolarHBondContact O-N 2.79Å; E446-W451 VanDerWaalsContact O-N 3.15Å; E446-W451 PolarHBondContact OE1-NE1 2.71Å; E446-R456 IonicContact OE1-CZ 3.92Å; E446-R456 VanDerWaalsContact OE1-CZ 3.26Å; E446-R456 IonicContact OE1-NE 3.61Å; E446-R456 PolarHBondContact OE1-NE 3Å; E446-R456 IonicContact OE1-NH2 3.78Å; E446-R456 PolarHBondContact OE1-NH2 2.83Å; E446-R456 IonicContact OE2-CZ 2.8Å; E446-R456 IonicContact OE2-NE 3.25Å; E446-R456 IonicContact OE2-NH2 2.65Å; E446-R456 PolarHBondContact OE2-NH2 2.77Å
447	V	90.9	Very high	90.6	Very high	64 Å²	64	62.8 Å²	62.8	39%	0.388	33%	0.328	S	S	.	.	I	π-helix	trans	-67.4	-44.3	-175.9	174.5	0	0	0	0	109.5	D445 W451 N452 G453	D445-V447 VanDerWaalsContact C-N 3.28Å; D445-V447 PolarHBondContact O-N 3.13Å; D445-V447 WeakPolarHBondContact OD1-CB 3.48Å; D445-V447 PolarHBondContact OD1-N 2.82Å; V447-W451 CarbonylContact O-C 3.31Å; V447-N452 PolarHBondContact O-N 2.74Å; V447-G453 WeakPolarHBondContact O-CA 3.42Å; V447-G453 PolarHBondContact O-N 3.05Å
448	M	90.3	Very high	90.7	Very high	109 Å²	109	66.5 Å²	66.5	54%	0.537	34%	0.341	S	S	.	.	I	π-helix	trans	-80.4	-43.6	-176.9	-65.5	-57.4	-63	0	0	112.5	D445 N452	D445-M448 HydrophobicContact CB-CB 4.18Å; D445-M448 PolarHBondContact O-N 2.87Å; D445-M448 PolarHBondContact OD1-N 2.63Å; D445-M448 WeakPolarHBondContact OD2-CG 3.4Å; M448-N452 WeakPolarHBondContact O-CA 3.4Å; M448-N452 PolarHBondContact O-N 2.96Å
449	D	89.6	Confident	90.5	Very high	58 Å²	58	61.2 Å²	61.2	31%	0.31	32%	0.319	S	S	.	.	I	π-helix	trans	-83.9	-50.7	-170.9	-58	-22.6	0	0	0	111.5	Y427 S444 D445	Y427-D449 WeakPolarHBondContact CE1-O 3.1Å; Y427-D449 PolarHBondContact OH-O 2.92Å; Y427-D449 VanDerWaalsContact OH-O 3.12Å; S444-D449 PolarHBondContact N-OD2 3.36Å; D445-D449 PolarHBondContact N-OD2 3.33Å; D445-D449 WeakPolarHBondContact O-CB 3.26Å; D445-D449 PolarHBondContact O-N 2.84Å
450	V	90.4	Very high	90.3	Very high	8 Å²	8	64.5 Å²	64.5	5%	0.048	33%	0.333	C	S	.	.	I	π-helix	trans	-84.7	-43.5	-174.9	-176.3	0	0	0	0	111.3	F162 Y427 Y443 E446	F162-V450 HydrophobicContact CE1-CG1 4.33Å; F162-V450 HydrophobicContact CZ-CG1 4.13Å; Y427-V450 HydrophobicContact CD1-CG2 4.17Å; Y427-V450 HydrophobicContact CD2-CB 4.48Å; Y427-V450 HydrophobicContact CD2-CG1 4.07Å; Y427-V450 HydrophobicContact CD2-CG2 4.24Å; Y427-V450 HydrophobicContact CE2-CG1 4.21Å; Y427-V450 HydrophobicContact CG-CG2 3.99Å; Y443-V450 HydrophobicContact CD1-CG2 3.43Å; Y443-V450 VanDerWaalsContact CD1-CG2 3.43Å; Y443-V450 HydrophobicContact CD2-CG2 4.17Å; Y443-V450 HydrophobicContact CE1-CG2 3.77Å; Y443-V450 HydrophobicContact CE2-CG2 4.46Å; Y443-V450 HydrophobicContact CG-CG2 3.66Å; E446-V450 HydrophobicContact CG-CB 4.31Å; E446-V450 HydrophobicContact CG-CG2 4.28Å; E446-V450 WeakPolarHBondContact O-CB 3.38Å; E446-V450 PolarHBondContact O-N 2.84Å; E446-V450 VanDerWaalsContact O-N 3.09Å
451	W	91.6	Very high	90	Very high	6 Å²	6	61.4 Å²	61.4	2%	0.023	32%	0.32	C	S	.	.	S	Bend	trans	-99.9	1.8	-172.6	-56.9	116.6	0	0	0	114.5	F162 W164 V256 E446 V447 G453 R454 R456 P457	F162-W451 HydrophobicContact CD1-CZ2 4.03Å; F162-W451 HydrophobicContact CE1-CZ2 4.03Å; F162-W451 HydrophobicContact CG-CZ2 4.49Å; F162-W451 HydrophobicContact CZ-CZ2 4.48Å; W164-W451 AromaticContact CH2-CH2 3.63Å; W164-W451 HydrophobicContact CH2-CH2 3.63Å; W164-W451 AromaticContact CH2-CZ2 3.85Å; W164-W451 HydrophobicContact CH2-CZ2 3.85Å; W164-W451 AromaticContact CZ2-CH2 3.59Å; W164-W451 HydrophobicContact CZ2-CH2 3.59Å; W164-W451 AromaticContact CZ2-CZ2 3.62Å; W164-W451 HydrophobicContact CZ2-CZ2 3.62Å; V256-W451 HydrophobicContact CB-CH2 4.41Å; V256-W451 HydrophobicContact CG2-CH2 4.01Å; V256-W451 HydrophobicContact CG2-CZ3 4.2Å; E446-W451 VanDerWaalsContact O-CD1 3.26Å; E446-W451 PolarHBondContact O-N 2.79Å; E446-W451 VanDerWaalsContact O-N 3.15Å; E446-W451 PolarHBondContact OE1-NE1 2.71Å; V447-W451 CarbonylContact O-C 3.31Å; W451-G453 VanDerWaalsContact C-N 3.33Å; W451-G453 PolarHBondContact O-N 2.93Å; W451-R454 HydrophobicContact CB-CB 4.36Å; W451-R454 WeakPolarHBondContact CB-O 3.39Å; W451-R454 WeakPolarHBondContact O-CB 3.31Å; W451-R454 PolarHBondContact O-N 2.97Å; W451-R454 VanDerWaalsContact O-N 3.16Å; W451-R454 PolarHBondContact O-NE 3.32Å; W451-R454 VanDerWaalsContact O-NE 3.08Å; W451-R456 HydrophobicContact CZ2-CG 3.85Å; W451-P457 HydrophobicContact CE3-CG 4.26Å; W451-P457 HydrophobicContact CH2-CG 4.15Å; W451-P457 HydrophobicContact CZ3-CG 3.86Å
452	N	87.5	Confident	89.7	Confident	52 Å²	52	61.3 Å²	61.3	28%	0.278	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	45.5	178.6	-63.7	-45.6	0	0	0	112.7	L418 N419 S420 V447 M448 R454	L418-N452 PolarHBondContact O-ND2 3.06Å; L418-N452 VanDerWaalsContact O-ND2 3.14Å; N419-N452 VanDerWaalsContact C-OD1 3.26Å; S420-N452 WeakPolarHBondContact CA-OD1 3.48Å; S420-N452 PolarHBondContact N-OD1 3.09Å; V447-N452 PolarHBondContact O-N 2.74Å; M448-N452 WeakPolarHBondContact O-CA 3.4Å; M448-N452 PolarHBondContact O-N 2.96Å; N452-R454 VanDerWaalsContact C-N 3.33Å; N452-R454 PolarHBondContact O-N 2.85Å
453	G	85.6	Confident	89.4	Confident	44 Å²	44	59.3 Å²	59.3	45%	0.454	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-0.3	-179.6	0	0	0	0	0	115.2	V447 W451	V447-G453 WeakPolarHBondContact O-CA 3.42Å; V447-G453 PolarHBondContact O-N 3.05Å; W451-G453 VanDerWaalsContact C-N 3.33Å; W451-G453 PolarHBondContact O-N 2.93Å
454	R	87.7	Confident	89	Confident	73 Å²	73	58.8 Å²	58.8	28%	0.275	32%	0.317	S	S	.	.	S	Bend	trans	-89.5	158.6	176.1	-58.9	176	-68.3	165.4	0.9	110.4	N301 W451 N452	N301-R454 VanDerWaalsContact OD1-CZ 3.29Å; N301-R454 PolarHBondContact OD1-NH1 3.07Å; N301-R454 PolarHBondContact OD1-NH2 2.74Å; W451-R454 HydrophobicContact CB-CB 4.36Å; W451-R454 WeakPolarHBondContact CB-O 3.39Å; W451-R454 WeakPolarHBondContact O-CB 3.31Å; W451-R454 PolarHBondContact O-N 2.97Å; W451-R454 VanDerWaalsContact O-N 3.16Å; W451-R454 PolarHBondContact O-NE 3.32Å; W451-R454 VanDerWaalsContact O-NE 3.08Å; N452-R454 VanDerWaalsContact C-N 3.33Å; N452-R454 PolarHBondContact O-N 2.85Å
455	Q	88.1	Confident	88.8	Confident	154 Å²	154	55.5 Å²	55.5	72%	0.72	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-71.3	146.5	169	-68.7	-172.7	-0.4	0	0	110.7
456	R	92.4	Very high	88.4	Confident	62 Å²	62	56.7 Å²	56.7	23%	0.234	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-49.3	130.7	170.5	-175	-165.9	-66.4	178.2	-3.2	110.1	F162 W164 E446 W451 K458	F162-R456 VanDerWaalsContact O-CD 3.25Å; F162-R456 WeakPolarHBondContact O-CD 3.38Å; F162-R456 PolarHBondContact O-NH1 2.96Å; W164-R456 HydrophobicContact CZ2-CG 4.12Å; E446-R456 IonicContact OE1-CZ 3.92Å; E446-R456 VanDerWaalsContact OE1-CZ 3.26Å; E446-R456 IonicContact OE1-NE 3.61Å; E446-R456 PolarHBondContact OE1-NE 3Å; E446-R456 IonicContact OE1-NH2 3.78Å; E446-R456 PolarHBondContact OE1-NH2 2.83Å; E446-R456 IonicContact OE2-CZ 2.8Å; E446-R456 IonicContact OE2-NE 3.25Å; E446-R456 IonicContact OE2-NH2 2.65Å; E446-R456 PolarHBondContact OE2-NH2 2.77Å; W451-R456 HydrophobicContact CZ2-CG 3.85Å; R456-K458 PolarHBondContact O-N 3.07Å
457	P	93.1	Very high	87.8	Confident	7 Å²	7	56.9 Å²	56.9	5%	0.045	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-53.2	135.4	171	-27.9	36.1	0	0	0	111.6	W164 I226 V256 W451	W164-P457 PolarHBondContact NE1-O 3.28Å; I226-P457 HydrophobicContact CD1-CB 4.26Å; V256-P457 HydrophobicContact CB-CG 4.31Å; W451-P457 HydrophobicContact CE3-CG 4.26Å; W451-P457 HydrophobicContact CH2-CG 4.15Å; W451-P457 HydrophobicContact CZ3-CG 3.86Å
458	K	91.3	Very high	87.3	Confident	117 Å²	117	59.3 Å²	59.3	51%	0.509	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-85	141.5	176.6	-64.2	-177.5	179.9	-179.9	0	109.9	R456 K460 T462	R456-K458 PolarHBondContact O-N 3.07Å; K458-K460 VanDerWaalsContact CB-O 3.31Å; K458-K460 WeakPolarHBondContact CB-O 3.25Å; K458-K460 PolarHBondContact O-N 2.93Å; K458-T462 HydrophobicContact CD-CG2 4.33Å
459	A	90	Very high	86.6	Confident	13 Å²	13	59.2 Å²	59.2	11%	0.107	32%	0.324	C	S	.	.	S	Bend	trans	-56.4	-39.8	174.7	0	0	0	0	0	112	E166 I226	E166-A459 HydrophobicContact CB-CB 4.34Å; I226-A459 HydrophobicContact CG1-CB 4.39Å
460	K	88.7	Confident	86	Confident	95 Å²	95	59.5 Å²	59.5	41%	0.413	33%	0.33	S	S	.	.	S	Bend	trans	-118.6	131.8	173.7	-173	175.9	175.4	-175.6	0	110.9	K458 F465	K458-K460 VanDerWaalsContact CB-O 3.31Å; K458-K460 WeakPolarHBondContact CB-O 3.25Å; K458-K460 PolarHBondContact O-N 2.93Å; K460-F465 HydrophobicContact CB-CZ 4.45Å; K460-F465 HydrophobicContact CG-CE2 4.08Å; K460-F465 HydrophobicContact CG-CZ 4.34Å
461	P	86.4	Confident	85	Confident	15 Å²	15	63.9 Å²	63.9	10%	0.097	36%	0.358	C	S	.	.			trans	-58.6	152.7	174.7	-22.5	31.9	0	0	0	112.3	R225 C463 G464 F465	R225-P461 HydrophobicContact CG-CG 3.88Å; P461-C463 PolarHBondContact O-N 3.01Å; P461-G464 PolarHBondContact O-N 3.04Å; P461-F465 HydrophobicContact CG-CD1 4.06Å; P461-F465 HydrophobicContact CG-CE1 4.28Å
462	T	84.6	Confident	83.6	Confident	89 Å²	89	68 Å²	68	55%	0.546	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.1	-179.4	47.2	0	0	0	0	113.4	K458	K458-T462 HydrophobicContact CD-CG2 4.33Å
463	C	86.1	Confident	82.5	Confident	33 Å²	33	70.4 Å²	70.4	22%	0.223	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	14.2	176.1	-68.4	0	0	0	0	113.8	P461 G467 T468 Q469 C470	P461-C463 PolarHBondContact O-N 3.01Å; C463-G467 CarbonylContact O-C 3.56Å; C463-G467 VanDerWaalsContact O-CA 3.24Å; C463-G467 WeakPolarHBondContact O-CA 3.24Å; C463-G467 PolarHBondContact O-N 2.94Å; C463-T468 PolarHBondContact O-N 3.41Å; C463-Q469 WeakPolarHBondContact O-CA 3.29Å; C463-Q469 PolarHBondContact O-N 2.95Å; C463-C470 HydrophobicContact CB-CB 4.03Å; C463-C470 WeakPolarHBondContact CB-SG 3.46Å; C463-C470 VanDerWaalsContact SG-CA 3.51Å; C463-C470 WeakPolarHBondContact SG-CB 3.26Å; C463-C470 CovalentContact SG-SG 2.03Å; C463-C470 PolarHBondContact SG-SG 3.03Å
464	G	83.4	Confident	81.2	Confident	4 Å²	4	75.9 Å²	75.9	4%	0.041	41%	0.41	C	S	.	.			trans	68	172.5	-170.8	0	0	0	0	0	113.3	P461 T466 G467	P461-G464 PolarHBondContact O-N 3.04Å; G464-T466 VanDerWaalsContact C-N 3.27Å; G464-T466 PolarHBondContact O-N 3.18Å; G464-G467 PolarHBondContact O-N 2.96Å
465	F	85.1	Confident	79.8	Confident	47 Å²	47	77.8 Å²	77.8	21%	0.206	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.3	-176.9	-62.4	-70.8	0	0	0	114.1	K222 R223 R225 K460 P461	K222-F465 WeakPolarHBondContact O-CB 3.45Å; R223-F465 WeakPolarHBondContact O-CE1 3.4Å; R223-F465 WeakPolarHBondContact O-CZ 3.31Å; R225-F465 HydrophobicContact CG-CE1 4.45Å; K460-F465 HydrophobicContact CB-CZ 4.45Å; K460-F465 HydrophobicContact CG-CE2 4.08Å; K460-F465 HydrophobicContact CG-CZ 4.34Å; P461-F465 HydrophobicContact CG-CD1 4.06Å; P461-F465 HydrophobicContact CG-CE1 4.28Å
466	T	82	Confident	78.7	Confident	102 Å²	102	79.4 Å²	79.4	63%	0.626	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.1	178.3	52.4	0	0	0	0	113.5	G464 T468	G464-T466 VanDerWaalsContact C-N 3.27Å; G464-T466 PolarHBondContact O-N 3.18Å; T466-T468 PolarHBondContact O-N 3.47Å; T466-T468 PolarHBondContact OG1-OG1 3.34Å
467	G	79.3	Confident	77.3	Confident	42 Å²	42	80.9 Å²	80.9	43%	0.433	44%	0.441	S	S	.	.	S	Bend	trans	73.1	1.7	-175	0	0	0	0	0	115.1	C463 G464	C463-G467 CarbonylContact O-C 3.56Å; C463-G467 VanDerWaalsContact O-CA 3.24Å; C463-G467 WeakPolarHBondContact O-CA 3.24Å; C463-G467 PolarHBondContact O-N 2.94Å; G464-G467 PolarHBondContact O-N 2.96Å
468	T	80.2	Confident	76	Confident	115 Å²	115	85.7 Å²	85.7	71%	0.706	46%	0.46	S	S	*	.			trans	-92.5	-5.5	-174.9	56.5	0	0	0	0	114.2	C463 T466	C463-T468 PolarHBondContact O-N 3.41Å; T466-T468 PolarHBondContact O-N 3.47Å; T466-T468 PolarHBondContact OG1-OG1 3.34Å
469	Q	76.6	Confident	74.8	Confident	107 Å²	107	85.1 Å²	85.1	50%	0.5	46%	0.462	S	S	.	.			trans	-105.4	27.9	-175.5	-57.8	177.6	13.2	0	0	111.8	C463	C463-Q469 WeakPolarHBondContact O-CA 3.29Å; C463-Q469 PolarHBondContact O-N 2.95Å
470	C	76.5	Confident	73.7	Confident	65 Å²	65	89.5 Å²	89.5	44%	0.439	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-63.4	136.2	176	-60.5	0	0	0	0	110	C463	C463-C470 HydrophobicContact CB-CB 4.03Å; C463-C470 WeakPolarHBondContact CB-SG 3.46Å; C463-C470 VanDerWaalsContact SG-CA 3.51Å; C463-C470 WeakPolarHBondContact SG-CB 3.26Å; C463-C470 CovalentContact SG-SG 2.03Å; C463-C470 PolarHBondContact SG-SG 3.03Å
471	P	69	Low	72.6	Confident	100 Å²	100	89.2 Å²	89.2	65%	0.649	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-59.6	134.3	169.1	23.9	-30.7	0	0	0	109.6
472	P	62.2	Low	71.7	Confident	92 Å²	92	92.6 Å²	92.6	60%	0.597	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-65.4	143.2	-176.6	24.7	-32.7	0	0	0	111.9	F474	P472-F474 PolarHBondContact O-N 3.29Å
473	D	64	Low	71.3	Confident	103 Å²	103	93.2 Å²	93.2	55%	0.551	51%	0.508	S	S	*	.			trans	-80.7	104	178.5	-166.9	-7.1	0	0	0	109.8	V475 R476 D477	D473-V475 PolarHBondContact O-N 3.45Å; D473-R476 PolarHBondContact O-N 3.01Å; D473-D477 PolarHBondContact O-N 3.04Å
474	F	57.9	Low	70.9	Confident	159 Å²	159	96.7 Å²	96.7	70%	0.697	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.2	-166.6	-176.8	-96.1	0	0	0	114.4	P472 Y478	P472-F474 PolarHBondContact O-N 3.29Å; F474-Y478 HydrophobicContact CD2-CD2 4.39Å; F474-Y478 WeakPolarHBondContact O-CD2 3.19Å
475	V	59.2	Low	70.5	Confident	112 Å²	112	100.9 Å²	100.9	68%	0.679	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-33.7	-174.5	-177.3	0	0	0	0	112.5	D473	D473-V475 PolarHBondContact O-N 3.45Å
476	R	64	Low	70.1	Confident	189 Å²	189	102.6 Å²	102.6	71%	0.713	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-38.3	-173.5	-163	179.4	77.6	-174.5	4	112.5	D473	D473-R476 PolarHBondContact O-N 3.01Å
477	D	63.1	Low	70	Confident	92 Å²	92	104 Å²	104	49%	0.492	56%	0.559	S	S	.	*	S	Bend	trans	-87.8	-12.6	-170.9	-65.7	-15.8	0	0	0	113.1	D473	D473-D477 PolarHBondContact O-N 3.04Å
478	Y	66	Low	70.1	Confident	109 Å²	109	108.8 Å²	108.8	43%	0.427	57%	0.568	S	S	.	*	S	Bend	trans	-116.8	12.7	-176.7	-64.8	-65.5	0	0	0	115.4	F474 V480 I481 V482	F474-Y478 HydrophobicContact CD2-CD2 4.39Å; F474-Y478 WeakPolarHBondContact O-CD2 3.19Å; Y478-V480 VanDerWaalsContact C-N 3.27Å; Y478-V480 PolarHBondContact O-N 3.26Å; Y478-I481 HydrophobicContact CD1-CD1 3.52Å; Y478-I481 HydrophobicContact CD1-CG1 4.18Å; Y478-I481 HydrophobicContact CE1-CD1 4.06Å; Y478-I481 WeakPolarHBondContact O-CA 3.49Å; Y478-I481 WeakPolarHBondContact O-CB 3.43Å; Y478-I481 PolarHBondContact O-N 3.18Å; Y478-V482 PolarHBondContact O-N 2.87Å
479	L	65.9	Low	69.9	Low	105 Å²	105	108.3 Å²	108.3	55%	0.55	56%	0.561	S	S	.	*	H	α-helix	trans	-57.2	-36.3	-176.6	-171.5	138	0	0	0	113.7	V482 I483	L479-V482 PolarHBondContact O-N 3.39Å; L479-I483 HydrophobicContact CD2-CD1 3.89Å; L479-I483 PolarHBondContact O-N 3.21Å
480	V	67.3	Low	70.1	Confident	104 Å²	104	108.9 Å²	108.9	63%	0.63	57%	0.566	S	S	*	*	H	α-helix	trans	-66.9	-38.1	175	178	0	0	0	0	111.4	Y478 V482 I483 I484	Y478-V480 VanDerWaalsContact C-N 3.27Å; Y478-V480 PolarHBondContact O-N 3.26Å; V480-V482 VanDerWaalsContact C-N 3.34Å; V480-I483 PolarHBondContact O-N 2.72Å; V480-I484 HydrophobicContact CG1-CD1 3.93Å; V480-I484 VanDerWaalsContact O-CG1 3.29Å; V480-I484 WeakPolarHBondContact O-CG1 3.42Å; V480-I484 PolarHBondContact O-N 2.95Å; V480-I484 VanDerWaalsContact O-N 3.13Å
481	I	66.6	Low	70.2	Confident	90 Å²	90	112.7 Å²	112.7	46%	0.462	58%	0.575	S	S	.	*	H	α-helix	trans	-66.1	-39.4	177.4	-56.1	-164.5	0	0	0	110.3	Y478 I483 I484 I485	Y478-I481 HydrophobicContact CD1-CD1 3.52Å; Y478-I481 HydrophobicContact CD1-CG1 4.18Å; Y478-I481 HydrophobicContact CE1-CD1 4.06Å; Y478-I481 WeakPolarHBondContact O-CA 3.49Å; Y478-I481 WeakPolarHBondContact O-CB 3.43Å; Y478-I481 PolarHBondContact O-N 3.18Å; I481-I483 PolarHBondContact O-N 2.92Å; I481-I484 PolarHBondContact O-N 3.14Å; I481-I485 HydrophobicContact CG2-CD1 4.03Å; I481-I485 WeakPolarHBondContact O-CG1 3.31Å; I481-I485 PolarHBondContact O-N 3.47Å
482	V	65.9	Low	70.7	Confident	86 Å²	86	110 Å²	110	52%	0.521	56%	0.561	S	S	.	*	H	α-helix	trans	-62.3	-43.1	177.2	177.8	0	0	0	0	111.7	Y478 L479 V480 I484 I485 V486	Y478-V482 PolarHBondContact O-N 2.87Å; L479-V482 PolarHBondContact O-N 3.39Å; V480-V482 VanDerWaalsContact C-N 3.34Å; V482-I484 PolarHBondContact O-N 3.21Å; V482-I485 PolarHBondContact O-N 3.19Å; V482-V486 PolarHBondContact O-N 2.97Å
483	I	76.7	Confident	71.4	Confident	101 Å²	101	110.4 Å²	110.4	52%	0.518	56%	0.562	S	S	.	*	H	α-helix	trans	-65.2	-39.7	177.6	-66.2	171.7	0	0	0	111.4	L479 V480 I481 I485 V486 M487	L479-I483 HydrophobicContact CD2-CD1 3.89Å; L479-I483 PolarHBondContact O-N 3.21Å; V480-I483 PolarHBondContact O-N 2.72Å; I481-I483 PolarHBondContact O-N 2.92Å; I483-I485 VanDerWaalsContact C-N 3.34Å; I483-I485 PolarHBondContact O-N 2.85Å; I483-V486 PolarHBondContact O-N 3.46Å; I483-M487 PolarHBondContact O-N 3.32Å
484	I	77.4	Confident	72	Confident	106 Å²	106	109.1 Å²	109.1	54%	0.544	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-40.1	178	-69.4	167.9	0	0	0	111.3	V480 I481 V482 V486 M487 F488	V480-I484 HydrophobicContact CG1-CD1 3.93Å; V480-I484 VanDerWaalsContact O-CG1 3.29Å; V480-I484 WeakPolarHBondContact O-CG1 3.42Å; V480-I484 PolarHBondContact O-N 2.95Å; V480-I484 VanDerWaalsContact O-N 3.13Å; I481-I484 PolarHBondContact O-N 3.14Å; V482-I484 PolarHBondContact O-N 3.21Å; I484-V486 VanDerWaalsContact C-N 3.34Å; I484-V486 PolarHBondContact O-N 3.41Å; I484-M487 PolarHBondContact O-N 3.19Å; I484-F488 WeakPolarHBondContact O-CB 3.1Å; I484-F488 PolarHBondContact O-N 3.46Å
485	I	75.5	Confident	73	Confident	93 Å²	93	104 Å²	104	48%	0.477	55%	0.548	S	S	.	.	H	α-helix	trans	-62.1	-40.6	178.1	-69.5	166.6	0	0	0	111.3	I481 V482 I483 F488 L489	I481-I485 HydrophobicContact CG2-CD1 4.03Å; I481-I485 WeakPolarHBondContact O-CG1 3.31Å; I481-I485 PolarHBondContact O-N 3.47Å; V482-I485 PolarHBondContact O-N 3.19Å; I483-I485 VanDerWaalsContact C-N 3.34Å; I483-I485 PolarHBondContact O-N 2.85Å; I485-F488 PolarHBondContact O-N 3.29Å; I485-L489 HydrophobicContact CG2-CD1 4.34Å; I485-L489 WeakPolarHBondContact O-CG 3.44Å; I485-L489 PolarHBondContact O-N 2.97Å; I485-L489 VanDerWaalsContact O-N 3.1Å
486	V	76.5	Confident	73.8	Confident	83 Å²	83	101.3 Å²	101.3	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-66.4	-42.6	179.5	176.2	0	0	0	0	111.7	V482 I483 I484 F488 L489 I490	V482-V486 PolarHBondContact O-N 2.97Å; I483-V486 PolarHBondContact O-N 3.46Å; I484-V486 VanDerWaalsContact C-N 3.34Å; I484-V486 PolarHBondContact O-N 3.41Å; V486-F488 VanDerWaalsContact C-N 3.33Å; V486-F488 PolarHBondContact O-N 3.06Å; V486-L489 PolarHBondContact O-N 3.06Å; V486-I490 PolarHBondContact O-N 2.96Å
487	M	81.1	Confident	74.5	Confident	131 Å²	131	97.5 Å²	97.5	65%	0.645	54%	0.535	S	S	*	.	H	α-helix	trans	-65.1	-36.8	175.9	-73.9	-66.6	-67.8	0	0	112.4	I483 I484 I490 F491	I483-M487 PolarHBondContact O-N 3.32Å; I484-M487 PolarHBondContact O-N 3.19Å; M487-I490 PolarHBondContact O-N 3Å; M487-F491 PolarHBondContact O-N 2.98Å
488	F	81.3	Confident	75.2	Confident	143 Å²	143	95.6 Å²	95.6	63%	0.627	54%	0.537	S	S	*	.	H	α-helix	trans	-63.7	-38.8	176	-175.2	-97.3	0	0	0	112.4	I484 I485 V486 I490 F491 A492	I484-F488 WeakPolarHBondContact O-CB 3.1Å; I484-F488 PolarHBondContact O-N 3.46Å; I485-F488 PolarHBondContact O-N 3.29Å; V486-F488 VanDerWaalsContact C-N 3.33Å; V486-F488 PolarHBondContact O-N 3.06Å; F488-I490 PolarHBondContact O-N 3.34Å; F488-F491 PolarHBondContact O-N 2.64Å; F488-A492 WeakPolarHBondContact O-CB 3.32Å; F488-A492 PolarHBondContact O-N 2.98Å
489	L	76.1	Confident	75.5	Confident	105 Å²	105	93 Å²	93	55%	0.55	54%	0.538	S	S	.	.	H	α-helix	trans	-64.4	-39	178.6	-75.2	168.8	0	0	0	112.9	I485 V486 A492 V493	I485-L489 HydrophobicContact CG2-CD1 4.34Å; I485-L489 WeakPolarHBondContact O-CG 3.44Å; I485-L489 PolarHBondContact O-N 2.97Å; I485-L489 VanDerWaalsContact O-N 3.1Å; V486-L489 PolarHBondContact O-N 3.06Å; L489-A492 PolarHBondContact O-N 3.37Å; L489-V493 WeakPolarHBondContact O-CG2 3.06Å; L489-V493 PolarHBondContact O-N 2.97Å
490	I	79.5	Confident	76.1	Confident	118 Å²	118	92.6 Å²	92.6	61%	0.605	54%	0.54	S	S	*	.	H	α-helix	trans	-65.9	-41.4	177.8	-64.6	175.2	0	0	0	111	V486 M487 F488 V493	V486-I490 PolarHBondContact O-N 2.96Å; M487-I490 PolarHBondContact O-N 3Å; F488-I490 PolarHBondContact O-N 3.34Å; I490-V493 PolarHBondContact O-N 3.22Å
491	F	79.6	Confident	76.4	Confident	145 Å²	145	95.9 Å²	95.9	64%	0.636	55%	0.546	S	S	*	.	H	α-helix	trans	-67.2	-35.9	176.6	-176.6	-99.9	0	0	0	112.7	M487 F488 V493 S494 A495	M487-F491 PolarHBondContact O-N 2.98Å; F488-F491 PolarHBondContact O-N 2.64Å; F491-V493 VanDerWaalsContact C-N 3.32Å; F491-V493 PolarHBondContact O-N 3.39Å; F491-S494 PolarHBondContact O-N 3.06Å; F491-S494 PolarHBondContact O-OG 3.33Å; F491-S494 VanDerWaalsContact O-OG 3.1Å; F491-A495 PolarHBondContact O-N 3.15Å
492	A	78.3	Confident	76.9	Confident	44 Å²	44	99.3 Å²	99.3	36%	0.364	55%	0.554	S	S	.	*	H	α-helix	trans	-62.7	-36.2	177.7	0	0	0	0	0	112.9	F488 L489 A496	F488-A492 WeakPolarHBondContact O-CB 3.32Å; F488-A492 PolarHBondContact O-N 2.98Å; L489-A492 PolarHBondContact O-N 3.37Å; A492-A496 PolarHBondContact O-N 3.29Å; A492-A496 VanDerWaalsContact O-N 3.15Å
493	V	78.3	Confident	77.3	Confident	100 Å²	100	97.7 Å²	97.7	61%	0.606	55%	0.55	S	S	*	.	H	α-helix	trans	-69.7	-42.3	-179.2	175	0	0	0	0	112.1	L489 I490 F491 A496	L489-V493 WeakPolarHBondContact O-CG2 3.06Å; L489-V493 PolarHBondContact O-N 2.97Å; I490-V493 PolarHBondContact O-N 3.22Å; F491-V493 VanDerWaalsContact C-N 3.32Å; F491-V493 PolarHBondContact O-N 3.39Å; V493-A496 PolarHBondContact O-N 3.17Å
494	S	76.6	Confident	77.2	Confident	76 Å²	76	98.8 Å²	98.8	53%	0.531	56%	0.555	S	S	.	*	H	α-helix	trans	-68.4	-35.2	178.6	63.3	0	0	0	0	112.2	F491	F491-S494 PolarHBondContact O-N 3.06Å; F491-S494 PolarHBondContact O-OG 3.33Å; F491-S494 VanDerWaalsContact O-OG 3.1Å
495	A	77.8	Confident	77.1	Confident	51 Å²	51	104 Å²	104	42%	0.421	57%	0.568	S	S	.	*	H	α-helix	trans	-64.4	-37.3	173.5	0	0	0	0	0	112.9	F491 V497 G498 A499	F491-A495 PolarHBondContact O-N 3.15Å; A495-V497 PolarHBondContact O-N 3.08Å; A495-G498 PolarHBondContact O-N 3.04Å; A495-A499 PolarHBondContact O-N 2.9Å; A495-A499 VanDerWaalsContact O-N 3.1Å
496	A	77.2	Confident	76.8	Confident	56 Å²	56	104 Å²	104	46%	0.463	57%	0.566	S	S	.	*	H	α-helix	trans	-61.6	-39.6	179.7	0	0	0	0	0	112.8	A492 V493 A499 V500	A492-A496 PolarHBondContact O-N 3.29Å; A492-A496 VanDerWaalsContact O-N 3.15Å; V493-A496 PolarHBondContact O-N 3.17Å; A496-A499 WeakPolarHBondContact O-CB 3.24Å; A496-A499 PolarHBondContact O-N 3Å; A496-V500 PolarHBondContact O-N 2.97Å
497	V	78.1	Confident	76.7	Confident	110 Å²	110	107.4 Å²	107.4	67%	0.667	57%	0.574	S	S	*	*	H	α-helix	trans	-67.1	-43.4	179.7	178.1	0	0	0	0	111.6	A495 A499 V500	A495-V497 PolarHBondContact O-N 3.08Å; V497-A499 VanDerWaalsContact C-N 3.29Å; V497-A499 PolarHBondContact O-N 3.2Å; V497-V500 PolarHBondContact O-N 3.26Å
498	G	78.5	Confident	76.1	Confident	51 Å²	51	111.3 Å²	111.3	53%	0.526	58%	0.582	S	S	.	*	H	α-helix	trans	-62.4	-35.3	175.1	0	0	0	0	0	113	A495 V500 Y502	A495-G498 PolarHBondContact O-N 3.04Å; G498-V500 PolarHBondContact O-N 2.92Å; G498-Y502 PolarHBondContact O-N 2.81Å
499	A	71.6	Confident	75.7	Confident	54 Å²	54	112.5 Å²	112.5	45%	0.446	59%	0.587	S	S	.	*	H	α-helix	trans	-64.9	-35.4	178.8	0	0	0	0	0	113.3	A495 A496 V497 Y502 A503	A495-A499 PolarHBondContact O-N 2.9Å; A495-A499 VanDerWaalsContact O-N 3.1Å; A496-A499 WeakPolarHBondContact O-CB 3.24Å; A496-A499 PolarHBondContact O-N 3Å; V497-A499 VanDerWaalsContact C-N 3.29Å; V497-A499 PolarHBondContact O-N 3.2Å; A499-Y502 PolarHBondContact O-N 3Å; A499-A503 WeakPolarHBondContact O-CB 3.49Å; A499-A503 PolarHBondContact O-N 2.78Å
500	V	77.6	Confident	75.3	Confident	98 Å²	98	109.4 Å²	109.4	59%	0.594	57%	0.569	S	S	*	*	H	α-helix	trans	-64	-44.3	-179.6	176.3	0	0	0	0	112	A496 V497 G498 Y502 A503	A496-V500 PolarHBondContact O-N 2.97Å; V497-V500 PolarHBondContact O-N 3.26Å; G498-V500 PolarHBondContact O-N 2.92Å; V500-Y502 VanDerWaalsContact C-N 3.33Å; V500-Y502 PolarHBondContact O-N 3.45Å; V500-A503 WeakPolarHBondContact O-CB 3.41Å; V500-A503 PolarHBondContact O-N 2.76Å
501	F	74.6	Confident	74.9	Confident	172 Å²	172	108 Å²	108	75%	0.754	56%	0.562	S	S	*	*	H	α-helix	trans	-66	-38.4	-179.9	-170.3	-97.3	0	0	0	111.8
502	Y	76.7	Confident	74.5	Confident	163 Å²	163	108.1 Å²	108.1	64%	0.639	57%	0.565	S	S	*	*	H	α-helix	trans	-63.3	-39.5	174.3	-175.1	-99.2	0	0	0	112.2	G498 A499 V500 I504 R505 Q506	G498-Y502 PolarHBondContact O-N 2.81Å; A499-Y502 PolarHBondContact O-N 3Å; V500-Y502 VanDerWaalsContact C-N 3.33Å; V500-Y502 PolarHBondContact O-N 3.45Å; Y502-I504 VanDerWaalsContact C-N 3.33Å; Y502-I504 PolarHBondContact O-N 3.49Å; Y502-R505 PolarHBondContact O-N 3.48Å; Y502-Q506 VanDerWaalsContact CD1-OE1 3.3Å; Y502-Q506 WeakPolarHBondContact O-CB 3.4Å; Y502-Q506 PolarHBondContact O-N 3.36Å
503	A	74	Confident	74.3	Confident	52 Å²	52	112.6 Å²	112.6	43%	0.43	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-33.6	-177.8	0	0	0	0	0	114.4	A499 V500 Q506 K507	A499-A503 WeakPolarHBondContact O-CB 3.49Å; A499-A503 PolarHBondContact O-N 2.78Å; V500-A503 WeakPolarHBondContact O-CB 3.41Å; V500-A503 PolarHBondContact O-N 2.76Å; A503-Q506 WeakPolarHBondContact O-CB 3.37Å; A503-K507 PolarHBondContact O-N 2.76Å; A503-K507 VanDerWaalsContact O-N 3.16Å
504	I	74.1	Confident	73.9	Confident	123 Å²	123	111.5 Å²	111.5	63%	0.631	56%	0.561	S	S	*	*	H	α-helix	trans	-69.1	-46.4	-179	-63.5	175.3	0	0	0	111.4	Y502 Q506 K507	Y502-I504 VanDerWaalsContact C-N 3.33Å; Y502-I504 PolarHBondContact O-N 3.49Å; I504-Q506 VanDerWaalsContact C-N 3.25Å; I504-Q506 PolarHBondContact O-N 3.49Å; I504-K507 VanDerWaalsContact O-CB 3.28Å; I504-K507 WeakPolarHBondContact O-CB 3.5Å; I504-K507 PolarHBondContact O-N 3.31Å; I504-K507 VanDerWaalsContact O-N 3.09Å
505	R	75.9	Confident	73.7	Confident	215 Å²	215	110 Å²	110	81%	0.811	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-31.5	-179.3	-148.1	179.3	-178.2	176.8	1	111.2	Y502 K507	Y502-R505 PolarHBondContact O-N 3.48Å; R505-K507 VanDerWaalsContact C-N 3.28Å; R505-K507 PolarHBondContact O-N 2.97Å
506	Q	70.2	Confident	73.7	Confident	94 Å²	94	114.8 Å²	114.8	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-61.8	-35.4	171.3	-165	171.6	-5.3	0	0	111.6	Y502 A503 I504 R508 K509 E510	Y502-Q506 VanDerWaalsContact CD1-OE1 3.3Å; Y502-Q506 WeakPolarHBondContact O-CB 3.4Å; Y502-Q506 PolarHBondContact O-N 3.36Å; A503-Q506 WeakPolarHBondContact O-CB 3.37Å; I504-Q506 VanDerWaalsContact C-N 3.25Å; I504-Q506 PolarHBondContact O-N 3.49Å; Q506-R508 PolarHBondContact O-N 3.33Å; Q506-K509 PolarHBondContact O-N 2.84Å; Q506-E510 VanDerWaalsContact O-CB 3.28Å; Q506-E510 WeakPolarHBondContact O-CB 3.43Å; Q506-E510 PolarHBondContact O-N 3.47Å
507	K	73.1	Confident	73.9	Confident	155 Å²	155	115.2 Å²	115.2	67%	0.674	55%	0.554	S	S	*	*	H	α-helix	trans	-63	-31.7	-174.9	-145.7	-176.7	-175.4	-175.4	0	116.1	A503 I504 R505 E510 I511	A503-K507 PolarHBondContact O-N 2.76Å; A503-K507 VanDerWaalsContact O-N 3.16Å; I504-K507 VanDerWaalsContact O-CB 3.28Å; I504-K507 WeakPolarHBondContact O-CB 3.5Å; I504-K507 PolarHBondContact O-N 3.31Å; I504-K507 VanDerWaalsContact O-N 3.09Å; R505-K507 VanDerWaalsContact C-N 3.28Å; R505-K507 PolarHBondContact O-N 2.97Å; K507-E510 WeakPolarHBondContact O-CB 3.42Å; K507-I511 PolarHBondContact O-N 2.94Å
508	R	68.5	Low	74.1	Confident	213 Å²	213	110.7 Å²	110.7	80%	0.804	53%	0.525	S	S	*	.	H	α-helix	trans	-76.5	-46.5	177	-91	-174.2	179.7	177.8	0	112.4	Q506 E510 I511	Q506-R508 PolarHBondContact O-N 3.33Å; R508-E510 PolarHBondContact O-N 2.87Å; R508-I511 PolarHBondContact O-N 3.3Å; R508-I511 VanDerWaalsContact O-N 3.11Å
509	K	73	Confident	74.5	Confident	168 Å²	168	111.5 Å²	111.5	73%	0.73	52%	0.515	S	S	*	.	H	α-helix	trans	-59.5	-30.1	171.3	-71.9	-171.1	174.2	-171	0	111.1	Q506 R513	Q506-K509 PolarHBondContact O-N 2.84Å; K509-R513 VanDerWaalsContact O-CB 3.26Å; K509-R513 WeakPolarHBondContact O-CB 3.37Å; K509-R513 PolarHBondContact O-N 2.79Å; K509-R513 VanDerWaalsContact O-N 3.09Å
510	E	69.3	Low	75.1	Confident	40 Å²	40	109 Å²	109	19%	0.187	49%	0.494	C	S	.	.	H	α-helix	trans	-65	-33.8	175.7	-168.1	61.9	-162.3	0	0	113.1	Q506 K507 R508 R513 Q514	Q506-E510 VanDerWaalsContact O-CB 3.28Å; Q506-E510 WeakPolarHBondContact O-CB 3.43Å; Q506-E510 PolarHBondContact O-N 3.47Å; K507-E510 WeakPolarHBondContact O-CB 3.42Å; R508-E510 PolarHBondContact O-N 2.87Å; E510-R513 PolarHBondContact O-N 2.78Å; E510-R513 IonicContact OE1-CZ 3.34Å; E510-R513 IonicContact OE1-NE 3.34Å; E510-R513 PolarHBondContact OE1-NE 3.28Å; E510-R513 IonicContact OE1-NH2 3.71Å; E510-R513 PolarHBondContact OE1-NH2 3.43Å; E510-R513 IonicContact OE2-CZ 2.83Å; E510-R513 VanDerWaalsContact OE2-CZ 3.3Å; E510-R513 IonicContact OE2-NE 3.81Å; E510-R513 PolarHBondContact OE2-NE 2.97Å; E510-R513 IonicContact OE2-NH2 3.81Å; E510-R513 PolarHBondContact OE2-NH2 2.91Å; E510-R513 VanDerWaalsContact OE2-NH2 3.1Å; E510-Q514 HydrophobicContact CG-CG 4.23Å; E510-Q514 VanDerWaalsContact O-CB 3.22Å; E510-Q514 WeakPolarHBondContact O-CB 3.44Å; E510-Q514 WeakPolarHBondContact O-CG 3.39Å; E510-Q514 PolarHBondContact O-N 3.26Å
511	I	71	Confident	75.6	Confident	88 Å²	88	108.2 Å²	108.2	45%	0.451	48%	0.484	S	S	.	.	H	α-helix	trans	-69.4	-46.7	-179.2	-65.7	171	0	0	0	111.4	K507 R508 R513 Q514 D515	K507-I511 PolarHBondContact O-N 2.94Å; R508-I511 PolarHBondContact O-N 3.3Å; R508-I511 VanDerWaalsContact O-N 3.11Å; I511-R513 VanDerWaalsContact C-N 3.31Å; I511-R513 PolarHBondContact O-N 2.79Å; I511-Q514 WeakPolarHBondContact O-CA 3.45Å; I511-Q514 WeakPolarHBondContact O-CB 3.45Å; I511-Q514 PolarHBondContact O-N 2.98Å; I511-Q514 VanDerWaalsContact O-N 3.08Å; I511-D515 PolarHBondContact O-N 3.15Å
512	E	71.1	Confident	76.1	Confident	147 Å²	147	101.6 Å²	101.6	69%	0.687	46%	0.461	S	S	*	.	H	α-helix	trans	-61.8	-43.3	175.1	-70	171	176.4	0	0	110.4	Q514 D515 E516	E512-Q514 VanDerWaalsContact C-N 3.26Å; E512-Q514 PolarHBondContact O-N 3.38Å; E512-D515 PolarHBondContact O-N 3.09Å; E512-E516 PolarHBondContact O-N 3.39Å
513	R	73.6	Confident	76.6	Confident	138 Å²	138	97.3 Å²	97.3	52%	0.521	46%	0.455	S	S	.	.	H	α-helix	trans	-57.8	-40.2	172.6	-164.2	176.8	82.9	121.9	6.8	111.3	K509 E510 I511 E516 L517	K509-R513 VanDerWaalsContact O-CB 3.26Å; K509-R513 WeakPolarHBondContact O-CB 3.37Å; K509-R513 PolarHBondContact O-N 2.79Å; K509-R513 VanDerWaalsContact O-N 3.09Å; E510-R513 PolarHBondContact O-N 2.78Å; E510-R513 IonicContact OE1-CZ 3.34Å; E510-R513 IonicContact OE1-NE 3.34Å; E510-R513 PolarHBondContact OE1-NE 3.28Å; E510-R513 IonicContact OE1-NH2 3.71Å; E510-R513 PolarHBondContact OE1-NH2 3.43Å; E510-R513 IonicContact OE2-CZ 2.83Å; E510-R513 VanDerWaalsContact OE2-CZ 3.3Å; E510-R513 IonicContact OE2-NE 3.81Å; E510-R513 PolarHBondContact OE2-NE 2.97Å; E510-R513 IonicContact OE2-NH2 3.81Å; E510-R513 PolarHBondContact OE2-NH2 2.91Å; E510-R513 VanDerWaalsContact OE2-NH2 3.1Å; I511-R513 VanDerWaalsContact C-N 3.31Å; I511-R513 PolarHBondContact O-N 2.79Å; R513-E516 PolarHBondContact O-N 2.94Å; R513-L517 VanDerWaalsContact O-CG 3.32Å; R513-L517 WeakPolarHBondContact O-CG 3.36Å; R513-L517 PolarHBondContact O-N 2.73Å
514	Q	69.9	Low	77.2	Confident	78 Å²	78	97.8 Å²	97.8	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-68.8	-28.6	179.7	-81.4	173.9	0.5	0	0	113.9	E510 I511 E512 L517	E510-Q514 HydrophobicContact CG-CG 4.23Å; E510-Q514 VanDerWaalsContact O-CB 3.22Å; E510-Q514 WeakPolarHBondContact O-CB 3.44Å; E510-Q514 WeakPolarHBondContact O-CG 3.39Å; E510-Q514 PolarHBondContact O-N 3.26Å; I511-Q514 WeakPolarHBondContact O-CA 3.45Å; I511-Q514 WeakPolarHBondContact O-CB 3.45Å; I511-Q514 PolarHBondContact O-N 2.98Å; I511-Q514 VanDerWaalsContact O-N 3.08Å; E512-Q514 VanDerWaalsContact C-N 3.26Å; E512-Q514 PolarHBondContact O-N 3.38Å; Q514-L517 HydrophobicContact CG-CD1 4.22Å; Q514-L517 WeakPolarHBondContact O-CB 3.36Å; Q514-L517 PolarHBondContact O-N 3.16Å
515	D	72.6	Confident	77.7	Confident	44 Å²	44	92.6 Å²	92.6	24%	0.235	42%	0.422	C	S	.	.	H	α-helix	trans	-74.2	-37.1	173.2	-90.3	-30.4	0	0	0	112.6	I511 E512 L517 W518 R595	I511-D515 PolarHBondContact O-N 3.15Å; E512-D515 PolarHBondContact O-N 3.09Å; D515-L517 PolarHBondContact O-N 3.48Å; D515-W518 PolarHBondContact O-NE1 3.3Å; D515-W518 PolarHBondContact OD1-NE1 3.18Å; D515-W518 VanDerWaalsContact OD1-NE1 3.12Å; D515-R595 WeakPolarHBondContact OD1-CD 3.45Å; D515-R595 WeakPolarHBondContact OD1-CG 3.45Å; D515-R595 IonicContact OD1-CZ 2.68Å; D515-R595 IonicContact OD1-NE 3.75Å; D515-R595 IonicContact OD1-NH1 2.79Å; D515-R595 PolarHBondContact OD1-NH1 2.98Å; D515-R595 IonicContact OD2-CZ 3.45Å; D515-R595 IonicContact OD2-NH1 3.72Å; D515-R595 PolarHBondContact OD2-NH1 3.48Å
516	E	77.7	Confident	78.2	Confident	151 Å²	151	87.7 Å²	87.7	71%	0.706	41%	0.406	S	S	*	.	H	α-helix	trans	-64.2	-25.8	171.7	-68.3	-176.5	164.2	0	0	112.1	E512 R513 H519	E512-E516 PolarHBondContact O-N 3.39Å; R513-E516 PolarHBondContact O-N 2.94Å; E516-H519 PolarHBondContact O-N 2.95Å
517	L	80.2	Confident	78.7	Confident	66 Å²	66	87.6 Å²	87.6	35%	0.346	41%	0.414	S	S	.	.	H	α-helix	trans	-59.3	-52.4	-177.6	-73.8	-176.3	0	0	0	111.9	R513 Q514 D515 H519 R598	R513-L517 VanDerWaalsContact O-CG 3.32Å; R513-L517 WeakPolarHBondContact O-CG 3.36Å; R513-L517 PolarHBondContact O-N 2.73Å; Q514-L517 HydrophobicContact CG-CD1 4.22Å; Q514-L517 WeakPolarHBondContact O-CB 3.36Å; Q514-L517 PolarHBondContact O-N 3.16Å; D515-L517 PolarHBondContact O-N 3.48Å; L517-H519 VanDerWaalsContact C-N 3.29Å; L517-H519 PolarHBondContact O-N 2.92Å; L517-R598 PolarHBondContact O-NH1 3.46Å; L517-R598 PolarHBondContact O-NH2 2.94Å
518	W	83.6	Confident	78.7	Confident	14 Å²	14	82.2 Å²	82.2	5%	0.053	39%	0.392	C	S	.	.	H	α-helix	trans	-76.7	-11.4	-173.9	62.8	-97.9	0	0	0	114.3	D515 V520 L586 R591 L594 G610 L611 L613	D515-W518 PolarHBondContact O-NE1 3.3Å; D515-W518 PolarHBondContact OD1-NE1 3.18Å; D515-W518 VanDerWaalsContact OD1-NE1 3.12Å; W518-V520 PolarHBondContact O-N 2.9Å; W518-L586 HydrophobicContact CH2-CD1 3.82Å; W518-L586 HydrophobicContact CZ3-CD1 4.02Å; W518-R591 HydrophobicContact CH2-CG 4.4Å; W518-R591 HydrophobicContact CZ2-CB 4.29Å; W518-R591 HydrophobicContact CZ2-CG 3.85Å; W518-L594 HydrophobicContact CD2-CB 4.26Å; W518-L594 HydrophobicContact CD2-CD1 4.36Å; W518-L594 HydrophobicContact CE3-CD1 4.03Å; W518-L594 HydrophobicContact CG-CB 4.36Å; W518-L594 HydrophobicContact CH2-CD1 4.26Å; W518-L594 HydrophobicContact CZ3-CD1 3.98Å; W518-G610 CarbonylContact O-C 3.12Å; W518-G610 WeakPolarHBondContact O-CA 3.38Å; W518-L611 PolarHBondContact O-N 2.88Å; W518-L613 HydrophobicContact CZ3-CD1 4.3Å
519	H	85.5	Confident	78.3	Confident	69 Å²	69	76.9 Å²	76.9	32%	0.319	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-80.5	114.9	175.9	-172	-129.3	0	0	0	110.3	E516 L517	E516-H519 PolarHBondContact O-N 2.95Å; L517-H519 VanDerWaalsContact C-N 3.29Å; L517-H519 PolarHBondContact O-N 2.92Å
520	V	85.9	Confident	77.5	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.391	C	S	.	.			trans	-102.2	113.1	179.3	-179.8	0	0	0	0	109.4	W518 L525 Y567 I609 L611 C612 I621	W518-V520 PolarHBondContact O-N 2.9Å; V520-L525 HydrophobicContact CG1-CD1 4.08Å; V520-L525 HydrophobicContact CG1-CD2 4.18Å; V520-L525 HydrophobicContact CG1-CG 4.11Å; V520-Y567 HydrophobicContact CG1-CD2 4.32Å; V520-Y567 HydrophobicContact CG1-CE2 3.71Å; V520-I609 HydrophobicContact CG2-CG2 4.17Å; V520-L611 PolarHBondContact N-O 3.15Å; V520-C612 HydrophobicContact CB-CB 4.41Å; V520-C612 WeakPolarHBondContact O-CA 3.39Å; V520-C612 WeakPolarHBondContact O-CB 3.23Å; V520-C612 PolarHBondContact O-SG 2.69Å; V520-I621 HydrophobicContact CB-CG1 4.3Å; V520-I621 HydrophobicContact CG1-CG1 4.25Å; V520-I621 HydrophobicContact CG2-CG1 4.3Å
521	E	86.5	Confident	76.5	Confident	83 Å²	83	84 Å²	84	39%	0.388	42%	0.418	S	S	.	.			trans	-72.1	138.4	173.8	-61.5	-170.4	173.1	0	0	112.4	S523 H524	E521-S523 VanDerWaalsContact CB-OG 3.26Å; E521-S523 WeakPolarHBondContact CB-OG 3.31Å; E521-S523 PolarHBondContact O-N 2.73Å; E521-S523 PolarHBondContact OE2-OG 2.78Å; E521-S523 VanDerWaalsContact OE2-OG 3.05Å; E521-H524 WeakPolarHBondContact O-CB 3.24Å; E521-H524 PolarHBondContact O-N 3.43Å; E521-H524 IonicContact OE2-CE1 3.07Å
522	A	85.7	Confident	75	Confident	33 Å²	33	83.5 Å²	83.5	27%	0.273	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-58.7	-29.3	175.9	0	0	0	0	0	113	H524 L525 C612 N614	A522-H524 PolarHBondContact O-N 2.91Å; A522-L525 PolarHBondContact O-N 2.92Å; A522-L525 VanDerWaalsContact O-N 3.14Å; A522-C612 PolarHBondContact N-SG 3.13Å; A522-C612 VanDerWaalsContact N-SG 3.45Å; A522-N614 WeakPolarHBondContact CB-OD1 3.33Å; A522-N614 PolarHBondContact N-OD1 3.5Å
523	S	86.8	Confident	73.7	Confident	72 Å²	72	86.2 Å²	86.2	50%	0.503	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-56.8	-27.7	173.6	54.9	0	0	0	0	112.9	E521 Q568	E521-S523 VanDerWaalsContact CB-OG 3.26Å; E521-S523 WeakPolarHBondContact CB-OG 3.31Å; E521-S523 PolarHBondContact O-N 2.73Å; E521-S523 PolarHBondContact OE2-OG 2.78Å; E521-S523 VanDerWaalsContact OE2-OG 3.05Å; S523-Q568 PolarHBondContact O-OE1 2.67Å
524	H	87.2	Confident	72.3	Confident	62 Å²	62	83.6 Å²	83.6	29%	0.287	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-89.2	-3.8	-178.3	-61.1	152.2	0	0	0	114.1	E521 A522 Y567 Q568 V569	E521-H524 WeakPolarHBondContact O-CB 3.24Å; E521-H524 PolarHBondContact O-N 3.43Å; E521-H524 IonicContact OE2-CE1 3.07Å; A522-H524 PolarHBondContact O-N 2.91Å; H524-Y567 HydrophobicContact CB-CD2 4.04Å; H524-Y567 HydrophobicContact CB-CE2 3.73Å; H524-Q568 PolarHBondContact O-N 2.9Å; H524-V569 HydrophobicContact CB-CG2 3.84Å; H524-V569 VanDerWaalsContact CG-CG2 3.41Å; H524-V569 WeakPolarHBondContact ND1-CG2 3.48Å
525	L	85.5	Confident	71	Confident	15 Å²	15	86 Å²	86	8%	0.079	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	106	-176.4	-65.3	174.5	0	0	0	110.3	V520 A522 Y565 Y567 V575 C612 I621	V520-L525 HydrophobicContact CG1-CD1 4.08Å; V520-L525 HydrophobicContact CG1-CD2 4.18Å; V520-L525 HydrophobicContact CG1-CG 4.11Å; A522-L525 PolarHBondContact O-N 2.92Å; A522-L525 VanDerWaalsContact O-N 3.14Å; L525-Y565 HydrophobicContact CB-CD1 3.77Å; L525-Y565 HydrophobicContact CB-CD2 4.32Å; L525-Y565 HydrophobicContact CB-CE1 4.25Å; L525-Y565 HydrophobicContact CB-CG 3.83Å; L525-Y565 HydrophobicContact CD1-CD2 4.37Å; L525-Y565 HydrophobicContact CD2-CD2 4.48Å; L525-Y565 HydrophobicContact CD2-CG 4.29Å; L525-Y565 HydrophobicContact CG-CG 4.49Å; L525-Y567 HydrophobicContact CD2-CD2 3.8Å; L525-Y567 HydrophobicContact CD2-CG 4.35Å; L525-V575 HydrophobicContact CD2-CG2 4.01Å; L525-C612 HydrophobicContact CD1-CB 4.24Å; L525-I621 HydrophobicContact CD1-CD1 3.8Å; L525-I621 HydrophobicContact CD1-CG1 4.46Å
526	K	85.5	Confident	69.7	Low	112 Å²	112	88.2 Å²	88.2	49%	0.487	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.5	176.6	-81.1	-176.4	172.6	171.2	0	111.3	Y565 I566 Q568	K526-Y565 CarbonylContact O-C 3.54Å; K526-Y565 WeakPolarHBondContact O-CA 3.38Å; K526-I566 HydrophobicContact CB-CB 4.29Å; K526-I566 PolarHBondContact N-O 3.17Å; K526-I566 PolarHBondContact O-N 3.23Å; K526-Q568 VanDerWaalsContact CD-CD 3.49Å; K526-Q568 HydrophobicContact CD-CG 4.04Å; K526-Q568 HydrophobicContact CG-CG 4.14Å
527	P	79.8	Confident	68.2	Low	91 Å²	91	84.8 Å²	84.8	59%	0.591	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.7	-179.8	24.7	-32.1	0	0	0	110.6	S529 Y565	P527-S529 PolarHBondContact O-N 3.39Å; P527-Y565 HydrophobicContact CB-CD1 4.17Å; P527-Y565 HydrophobicContact CB-CE1 3.97Å
528	I	75	Confident	66.5	Low	42 Å²	42	90 Å²	90	22%	0.215	49%	0.486	C	S	.	.			trans	-79.8	108.9	176.6	-62	175.7	0	0	0	108.2	F564 I566 V574	I528-F564 HydrophobicContact CD1-CB 4.11Å; I528-F564 PolarHBondContact N-O 3.3Å; I528-I566 HydrophobicContact CD1-CG1 4.1Å; I528-I566 HydrophobicContact CG1-CD1 4.22Å; I528-I566 HydrophobicContact CG1-CG1 3.8Å; I528-V574 HydrophobicContact CD1-CG1 3.77Å; I528-V574 HydrophobicContact CD1-CG2 4.13Å
529	S	59.3	Low	64.4	Low	102 Å²	102	100.8 Å²	100.8	71%	0.713	53%	0.526	S	S	*	.			trans	-69.2	143.4	176.4	59.5	0	0	0	0	111.3	P527 K531	P527-S529 PolarHBondContact O-N 3.39Å; S529-K531 PolarHBondContact O-N 3.48Å; S529-K531 VanDerWaalsContact O-N 3.1Å
530	K	55	Low	62.3	Low	186 Å²	186	101.6 Å²	101.6	81%	0.809	54%	0.54	S	S	*	.			trans	-58	114.2	172.7	-73.1	-179.4	178.7	176.7	0	108.8	S532	K530-S532 PolarHBondContact O-N 3.15Å
531	K	48.8	Very low	60	Low	171 Å²	171	111.7 Å²	111.7	74%	0.743	58%	0.584	S	S	*	*			trans	-62.5	133.8	168.6	-79.7	-169.5	173	-169.8	0	109.6	S529	S529-K531 PolarHBondContact O-N 3.48Å; S529-K531 VanDerWaalsContact O-N 3.1Å
532	S	39.7	Very low	57.5	Low	77 Å²	77	112.1 Å²	112.1	54%	0.538	60%	0.602	S	S	.	*			trans	-57.1	138.5	170.8	165	0	0	0	0	110	K530 S534 E535	K530-S532 PolarHBondContact O-N 3.15Å; S532-S534 PolarHBondContact O-N 3.35Å; S532-S534 PolarHBondContact OG-N 3.34Å; S532-E535 PolarHBondContact O-N 2.93Å; S532-E535 VanDerWaalsContact O-N 3.16Å
533	K	43.2	Very low	55.2	Low	204 Å²	204	115.3 Å²	115.3	89%	0.887	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	-16.1	175.8	-79.5	-176.5	173.2	-177.7	0	114
534	S	44.4	Very low	52.8	Low	84 Å²	84	114.9 Å²	114.9	59%	0.587	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-23.5	-179.7	-179.4	0	0	0	0	115.1	S532	S532-S534 PolarHBondContact O-N 3.35Å; S532-S534 PolarHBondContact OG-N 3.34Å
535	E	44.3	Very low	50.5	Low	127 Å²	127	117.8 Å²	117.8	59%	0.593	65%	0.654	S	S	*	*	S	Bend	trans	-94.1	-8.3	-175.5	-71.3	-175.3	161.4	0	0	113.6	S532 S537	S532-E535 PolarHBondContact O-N 2.93Å; S532-E535 VanDerWaalsContact O-N 3.16Å; E535-S537 VanDerWaalsContact C-N 3.27Å; E535-S537 PolarHBondContact O-N 2.91Å
536	A	44.1	Very low	48.1	Very low	92 Å²	92	120.9 Å²	120.9	76%	0.76	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-8.4	-179.4	0	0	0	0	0	113.7
537	S	46.3	Very low	46.1	Very low	79 Å²	79	120.3 Å²	120.3	55%	0.552	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-4.9	-173.1	62	0	0	0	0	115.8	E535 S540	E535-S537 VanDerWaalsContact C-N 3.27Å; E535-S537 PolarHBondContact O-N 2.91Å; S537-S540 PolarHBondContact O-OG 3.45Å
538	Q	43.5	Very low	44.3	Very low	175 Å²	175	118.9 Å²	118.9	82%	0.818	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	9.8	-171.3	-74.8	-163.8	-13.7	0	0	116.1
539	R	41.4	Very low	42.9	Very low	240 Å²	240	121.2 Å²	121.2	91%	0.906	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	17.5	178.5	-78.3	-172.2	172.7	-175.3	-3.9	115.1
540	S	39.4	Very low	42.3	Very low	86 Å²	86	125.8 Å²	125.8	60%	0.601	70%	0.698	S	S	*	*			trans	-104	10.7	-166.9	-25.6	0	0	0	0	116.7	S537	S537-S540 PolarHBondContact O-OG 3.45Å
541	F	37.7	Very low	41.9	Very low	212 Å²	212	119.8 Å²	119.8	93%	0.93	68%	0.675	S	S	*	*	S	Bend	trans	-113.9	-0.9	-171	-95.9	-82	0	0	0	116.6
542	A	35.4	Very low	41.9	Very low	93 Å²	93	114.1 Å²	114.1	77%	0.769	65%	0.654	S	S	*	*	S	Bend	trans	-147.1	56.8	-178.1	0	0	0	0	0	112.3
543	S	36.9	Very low	42.4	Very low	99 Å²	99	111.2 Å²	111.2	69%	0.692	63%	0.633	S	S	*	*	S	Bend	trans	172	125.3	158.3	24	0	0	0	0	106.6
544	G	36.7	Very low	42.8	Very low	63 Å²	63	109.3 Å²	109.3	65%	0.649	63%	0.628	S	S	*	*			trans	-52	137.2	174	0	0	0	0	0	109.7	S546	G544-S546 PolarHBondContact O-N 3.48Å
545	P	38.3	Very low	43.3	Very low	124 Å²	124	108 Å²	108	81%	0.805	62%	0.618	S	S	*	*			trans	-67.8	104.3	-171.8	26.9	-31.5	0	0	0	108.9	T547	P545-T547 PolarHBondContact O-N 2.81Å; P545-T547 VanDerWaalsContact O-N 3.12Å
546	S	36.3	Very low	44.3	Very low	80 Å²	80	107.7 Å²	107.7	56%	0.559	61%	0.612	S	S	*	*			trans	-58.1	119	169	-41.3	0	0	0	0	107.6	G544 S548 T549	G544-S546 PolarHBondContact O-N 3.48Å; S546-S548 PolarHBondContact O-N 2.95Å; S546-T549 PolarHBondContact O-N 3.22Å; S546-T549 PolarHBondContact O-OG1 3.39Å
547	T	41.5	Very low	45.3	Very low	99 Å²	99	106.4 Å²	106.4	61%	0.607	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-51.7	-17.6	-176.3	-12.6	0	0	0	0	113.3	P545 T549	P545-T547 PolarHBondContact O-N 2.81Å; P545-T547 VanDerWaalsContact O-N 3.12Å; T547-T549 VanDerWaalsContact C-N 3.34Å; T547-T549 PolarHBondContact O-N 2.85Å
548	S	43.9	Very low	46.5	Very low	61 Å²	61	108.4 Å²	108.4	43%	0.427	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-67.5	-21.9	179.4	72.5	0	0	0	0	115.5	S546	S546-S548 PolarHBondContact O-N 2.95Å
549	T	44.6	Very low	47.9	Very low	92 Å²	92	103 Å²	103	56%	0.564	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-82.5	-15	-173.3	42.2	0	0	0	0	114.9	S546 T547 L551 T552	S546-T549 PolarHBondContact O-N 3.22Å; S546-T549 PolarHBondContact O-OG1 3.39Å; T547-T549 VanDerWaalsContact C-N 3.34Å; T547-T549 PolarHBondContact O-N 2.85Å; T549-L551 VanDerWaalsContact C-N 3.26Å; T549-L551 PolarHBondContact O-N 3.24Å; T549-T552 PolarHBondContact O-OG1 3.14Å
550	K	46.9	Very low	49.3	Very low	197 Å²	197	98.2 Å²	98.2	86%	0.857	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-71.3	-15.3	179.2	-85.1	-174.6	176.5	177.1	0	114.7
551	L	46.5	Very low	51	Low	61 Å²	61	96.7 Å²	96.7	32%	0.319	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-92.8	-2.7	-174.7	-84.8	102.4	0	0	0	115.2	T549 R627 M639 W682	T549-L551 VanDerWaalsContact C-N 3.26Å; T549-L551 PolarHBondContact O-N 3.24Å; L551-R627 WeakPolarHBondContact O-CD 2.99Å; L551-R627 PolarHBondContact O-NH1 2.89Å; L551-M639 HydrophobicContact CD2-CB 4.5Å; L551-M639 HydrophobicContact CD2-CG 4.09Å; L551-M639 HydrophobicContact CD2-SD 3.36Å; L551-M639 WeakPolarHBondContact CD2-SD 3.32Å; L551-W682 HydrophobicContact CD2-CH2 3.99Å; L551-W682 HydrophobicContact CD2-CZ2 3.48Å; L551-W682 VanDerWaalsContact CD2-CZ2 3.48Å
552	T	48.1	Very low	53	Low	51 Å²	51	88.8 Å²	88.8	31%	0.313	52%	0.518	S	S	.	.			trans	-82.7	123.5	-179.4	36.8	0	0	0	0	110.5	T549 E554 R627	T549-T552 PolarHBondContact O-OG1 3.14Å; T552-E554 VanDerWaalsContact C-N 3.32Å; T552-E554 PolarHBondContact O-N 3.16Å; T552-R627 VanDerWaalsContact N-NH1 3.13Å
553	V	50	Low	55.4	Low	17 Å²	17	85.1 Å²	85.1	10%	0.103	49%	0.486	C	S	.	.			trans	-72.6	88.1	175.5	178.5	0	0	0	0	108.5	S555 S626 R627	V553-S555 PolarHBondContact O-N 3.21Å; V553-S626 PolarHBondContact N-O 3.35Å; V553-R627 WeakPolarHBondContact CG2-O 3.37Å
554	E	52	Low	57.8	Low	164 Å²	164	82 Å²	82	77%	0.766	46%	0.46	S	S	*	.			trans	-77.8	9.1	-178.8	-80.4	-162.9	142.2	0	0	114.7	T552 R556	T552-E554 VanDerWaalsContact C-N 3.32Å; T552-E554 PolarHBondContact O-N 3.16Å; E554-R556 VanDerWaalsContact C-N 3.29Å; E554-R556 PolarHBondContact O-N 2.87Å
555	S	55.7	Low	60.2	Low	56 Å²	56	80.8 Å²	80.8	39%	0.392	44%	0.436	S	S	.	.			trans	-80.7	77.5	176.1	64.2	0	0	0	0	111.2	V553 T557	V553-S555 PolarHBondContact O-N 3.21Å; S555-T557 PolarHBondContact O-N 3.49Å
556	R	65.5	Low	62.5	Low	120 Å²	120	77.6 Å²	77.6	45%	0.453	41%	0.411	S	S	.	.			trans	-71.4	46.1	166.8	-62.1	179	-179.9	161.9	1.4	111.5	E554 F564	E554-R556 VanDerWaalsContact C-N 3.29Å; E554-R556 PolarHBondContact O-N 2.87Å; R556-F564 HydrophobicContact CB-CD2 4.41Å
557	T	65.6	Low	64.9	Low	66 Å²	66	74.6 Å²	74.6	41%	0.405	39%	0.388	S	S	.	.			trans	-91	130.4	-177.6	47.5	0	0	0	0	110.1	S555 T559 F564	S555-T557 PolarHBondContact O-N 3.49Å; T557-T559 PolarHBondContact O-N 2.82Å; T557-F564 WeakPolarHBondContact O-CE2 3.25Å
558	E	71.2	Confident	66.9	Low	120 Å²	120	73.2 Å²	73.2	56%	0.561	38%	0.375	S	S	*	.			trans	-57	133.7	171	-177.9	177.7	-177.1	0	0	110.8	I563 K579	E558-I563 HydrophobicContact CG-CB 4.09Å; E558-I563 HydrophobicContact CG-CD1 4.31Å; E558-I563 HydrophobicContact CG-CG1 4.2Å; E558-K579 IonicContact OE1-NZ 3.42Å; E558-K579 PolarHBondContact OE1-NZ 3.43Å
559	T	72.4	Confident	68.6	Low	63 Å²	63	74.5 Å²	74.5	39%	0.387	38%	0.38	S	S	.	.			trans	-113.8	176.3	173.5	65.5	0	0	0	0	109.9	T557 R561 F562 K579	T557-T559 PolarHBondContact O-N 2.82Å; T559-R561 PolarHBondContact O-N 3.13Å; T559-F562 PolarHBondContact N-O 2.96Å; T559-F562 WeakPolarHBondContact OG1-CB 3.47Å; T559-F562 PolarHBondContact OG1-N 3.11Å; T559-F562 PolarHBondContact OG1-O 3.37Å; T559-K579 PolarHBondContact O-NZ 3.1Å
560	T	71.4	Confident	69.8	Low	139 Å²	139	74.5 Å²	74.5	85%	0.853	37%	0.369	S	S	*	.	S	Bend	trans	-59.9	-30.3	175.5	49.3	0	0	0	0	112.6
561	R	74.4	Confident	71.3	Confident	54 Å²	54	72.2 Å²	72.2	20%	0.204	37%	0.366	C	S	.	.	S	Bend	trans	-104.8	-30.2	-176.6	-173.1	170.6	177.2	177	-4.8	114.1	T559 N578 K579 D688 R695	T559-R561 PolarHBondContact O-N 3.13Å; R561-N578 WeakPolarHBondContact O-CA 3.13Å; R561-K579 PolarHBondContact O-N 3.15Å; R561-D688 IonicContact CZ-OD2 3.69Å; R561-D688 IonicContact NH2-OD2 3.72Å; R561-D688 PolarHBondContact NH2-OD2 3.27Å; R561-R695 VanDerWaalsContact NH2-NH2 3.16Å
562	F	80.9	Confident	72.8	Confident	45 Å²	45	74 Å²	74	20%	0.197	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.5	-173.2	-58.9	-91.2	0	0	0	112	T559 A577 N578	T559-F562 PolarHBondContact N-O 2.96Å; T559-F562 WeakPolarHBondContact OG1-CB 3.47Å; T559-F562 PolarHBondContact OG1-N 3.11Å; T559-F562 PolarHBondContact OG1-O 3.37Å; F562-A577 WeakPolarHBondContact CA-O 3.47Å; F562-N578 WeakPolarHBondContact CD1-OD1 3.43Å; F562-N578 VanDerWaalsContact CE1-CG 3.42Å; F562-N578 WeakPolarHBondContact CE1-OD1 3.28Å
563	I	85	Confident	74.5	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.087	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.3	166.2	-179.5	163.7	0	0	0	108.8	E558 Y565 A577	E558-I563 HydrophobicContact CG-CB 4.09Å; E558-I563 HydrophobicContact CG-CD1 4.31Å; E558-I563 HydrophobicContact CG-CG1 4.2Å; I563-Y565 HydrophobicContact CB-CE2 4.21Å; I563-Y565 HydrophobicContact CD1-CE1 4.14Å; I563-Y565 HydrophobicContact CD1-CE2 4.21Å; I563-Y565 WeakPolarHBondContact CD1-OH 3.27Å; I563-Y565 HydrophobicContact CG1-CD2 4.46Å; I563-Y565 HydrophobicContact CG1-CE1 4.4Å; I563-Y565 HydrophobicContact CG1-CE2 3.95Å; I563-Y565 HydrophobicContact CG2-CD2 4.07Å; I563-Y565 HydrophobicContact CG2-CE2 3.29Å; I563-A577 HydrophobicContact CG2-CB 3.89Å; I563-A577 PolarHBondContact N-O 3.2Å; I563-A577 PolarHBondContact O-N 2.84Å
564	F	86.6	Confident	76.2	Confident	33 Å²	33	74.7 Å²	74.7	15%	0.145	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.2	-178.6	-58.1	-75.4	0	0	0	110.4	I528 R556 T557 V575 A576 Y624	I528-F564 HydrophobicContact CD1-CB 4.11Å; I528-F564 PolarHBondContact N-O 3.3Å; R556-F564 HydrophobicContact CB-CD2 4.41Å; T557-F564 WeakPolarHBondContact O-CE2 3.25Å; F564-V575 WeakPolarHBondContact CA-O 3.37Å; F564-A576 HydrophobicContact CD1-CB 4.05Å; F564-A576 HydrophobicContact CE1-CB 3.89Å; F564-Y624 AromaticContact CD1-CD2 3.58Å; F564-Y624 HydrophobicContact CD1-CD2 3.58Å; F564-Y624 AromaticContact CD1-CE2 3.69Å; F564-Y624 HydrophobicContact CD1-CE2 3.69Å; F564-Y624 AromaticContact CE1-CD2 3.57Å; F564-Y624 HydrophobicContact CE1-CD2 3.57Å; F564-Y624 AromaticContact CE1-CE2 3.49Å; F564-Y624 HydrophobicContact CE1-CE2 3.49Å; F564-Y624 VanDerWaalsContact CE1-CE2 3.49Å; F564-Y624 HydrophobicContact CZ-CE2 4.19Å
565	Y	87.3	Confident	78	Confident	38 Å²	38	66.9 Å²	66.9	15%	0.149	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	154.7	180	-67.7	-77.9	0	0	0	110.9	L525 K526 P527 I563 V574 V575 A577 L619	L525-Y565 HydrophobicContact CB-CD1 3.77Å; L525-Y565 HydrophobicContact CB-CD2 4.32Å; L525-Y565 HydrophobicContact CB-CE1 4.25Å; L525-Y565 HydrophobicContact CB-CG 3.83Å; L525-Y565 HydrophobicContact CD1-CD2 4.37Å; L525-Y565 HydrophobicContact CD2-CD2 4.48Å; L525-Y565 HydrophobicContact CD2-CG 4.29Å; L525-Y565 HydrophobicContact CG-CG 4.49Å; K526-Y565 CarbonylContact O-C 3.54Å; K526-Y565 WeakPolarHBondContact O-CA 3.38Å; P527-Y565 HydrophobicContact CB-CD1 4.17Å; P527-Y565 HydrophobicContact CB-CE1 3.97Å; I563-Y565 HydrophobicContact CB-CE2 4.21Å; I563-Y565 HydrophobicContact CD1-CE1 4.14Å; I563-Y565 HydrophobicContact CD1-CE2 4.21Å; I563-Y565 WeakPolarHBondContact CD1-OH 3.27Å; I563-Y565 HydrophobicContact CG1-CD2 4.46Å; I563-Y565 HydrophobicContact CG1-CE1 4.4Å; I563-Y565 HydrophobicContact CG1-CE2 3.95Å; I563-Y565 HydrophobicContact CG2-CD2 4.07Å; I563-Y565 HydrophobicContact CG2-CE2 3.29Å; Y565-V574 WeakPolarHBondContact O-CA 3.38Å; Y565-V575 PolarHBondContact N-O 3.28Å; Y565-V575 PolarHBondContact O-N 3.08Å; Y565-A577 HydrophobicContact CD2-CB 3.68Å; Y565-A577 HydrophobicContact CE2-CB 3.76Å; Y565-L619 HydrophobicContact CE2-CD1 3.96Å
566	I	86.3	Confident	79.5	Confident	57 Å²	57	64.5 Å²	64.5	29%	0.292	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116	159	-66.4	170	0	0	0	106.6	K526 I528 Q568 N572	K526-I566 HydrophobicContact CB-CB 4.29Å; K526-I566 PolarHBondContact N-O 3.17Å; K526-I566 PolarHBondContact O-N 3.23Å; I528-I566 HydrophobicContact CD1-CG1 4.1Å; I528-I566 HydrophobicContact CG1-CD1 4.22Å; I528-I566 HydrophobicContact CG1-CG1 3.8Å; I566-Q568 PolarHBondContact O-N 3.21Å; I566-N572 HydrophobicContact CG2-CB 3.6Å
567	Y	86.7	Confident	80.6	Confident	16 Å²	16	58.8 Å²	58.8	6%	0.063	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.9	177.7	-176.6	-139.7	0	0	0	110.2	V520 H524 L525 V569 R570 N572 E573 V575 I609	V520-Y567 HydrophobicContact CG1-CD2 4.32Å; V520-Y567 HydrophobicContact CG1-CE2 3.71Å; H524-Y567 HydrophobicContact CB-CD2 4.04Å; H524-Y567 HydrophobicContact CB-CE2 3.73Å; L525-Y567 HydrophobicContact CD2-CD2 3.8Å; L525-Y567 HydrophobicContact CD2-CG 4.35Å; Y567-V569 VanDerWaalsContact C-N 3.28Å; Y567-V569 HydrophobicContact CE1-CB 4.2Å; Y567-V569 HydrophobicContact CE2-CB 3.95Å; Y567-V569 HydrophobicContact CE2-CG2 4.07Å; Y567-V569 PolarHBondContact O-N 2.96Å; Y567-R570 HydrophobicContact CD1-CB 3.52Å; Y567-R570 HydrophobicContact CE1-CB 3.82Å; Y567-R570 PolarHBondContact O-N 3.26Å; Y567-N572 WeakPolarHBondContact O-CA 3.26Å; Y567-N572 PolarHBondContact O-N 2.85Å; Y567-E573 PolarHBondContact N-O 2.72Å; Y567-V575 HydrophobicContact CG-CG1 4.48Å; Y567-I609 HydrophobicContact CD1-CG2 4.41Å; Y567-I609 HydrophobicContact CE1-CG2 3.98Å
568	Q	84	Confident	81.7	Confident	71 Å²	71	55.9 Å²	55.9	33%	0.332	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.4	-167.2	-63	-169.3	-93.3	0	0	114	S523 H524 K526 I566 R570 N572	S523-Q568 PolarHBondContact O-OE1 2.67Å; H524-Q568 PolarHBondContact O-N 2.9Å; K526-Q568 VanDerWaalsContact CD-CD 3.49Å; K526-Q568 HydrophobicContact CD-CG 4.04Å; K526-Q568 HydrophobicContact CG-CG 4.14Å; I566-Q568 PolarHBondContact O-N 3.21Å; Q568-R570 VanDerWaalsContact C-N 3.32Å; Q568-N572 WeakPolarHBondContact CA-OD1 3.4Å
569	V	79.6	Confident	82.5	Confident	88 Å²	88	52.3 Å²	52.3	53%	0.533	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-22.9	-177.4	179.5	0	0	0	0	111.9	H524 Y567	H524-V569 HydrophobicContact CB-CG2 3.84Å; H524-V569 VanDerWaalsContact CG-CG2 3.41Å; H524-V569 WeakPolarHBondContact ND1-CG2 3.48Å; Y567-V569 VanDerWaalsContact C-N 3.28Å; Y567-V569 HydrophobicContact CE1-CB 4.2Å; Y567-V569 HydrophobicContact CE2-CB 3.95Å; Y567-V569 HydrophobicContact CE2-CG2 4.07Å; Y567-V569 PolarHBondContact O-N 2.96Å
570	R	70.5	Confident	83.2	Confident	91 Å²	91	49.4 Å²	49.4	34%	0.343	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	76.6	-175.4	-166.5	179.3	178.9	160.5	4.8	110.4	Y567 Q568 N572 E573	Y567-R570 HydrophobicContact CD1-CB 3.52Å; Y567-R570 HydrophobicContact CE1-CB 3.82Å; Y567-R570 PolarHBondContact O-N 3.26Å; Q568-R570 VanDerWaalsContact C-N 3.32Å; R570-N572 PolarHBondContact O-N 2.03Å; R570-E573 VanDerWaalsContact CD-OE2 3.28Å; R570-E573 WeakPolarHBondContact CD-OE2 3.4Å; R570-E573 IonicContact CZ-OE2 2.93Å; R570-E573 IonicContact NE-OE1 2.98Å; R570-E573 IonicContact NE-OE2 2.79Å; R570-E573 PolarHBondContact NE-OE2 3.13Å; R570-E573 VanDerWaalsContact NE-OE2 3.11Å; R570-E573 VanDerWaalsContact O-CB 3.27Å; R570-E573 WeakPolarHBondContact O-CB 3.48Å; R570-E573 VanDerWaalsContact O-CG 3.26Å; R570-E573 WeakPolarHBondContact O-CG 3.47Å; R570-E573 PolarHBondContact O-N 2.86Å
571	N	77	Confident	83.6	Confident	149 Å²	149	47.3 Å²	47.3	80%	0.797	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	28.7	175.2	-70.3	-7.1	0	0	0	115.6	E573	N571-E573 PolarHBondContact O-N 3.23Å
572	N	79.4	Confident	83.8	Confident	99 Å²	99	48.8 Å²	48.8	53%	0.529	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	34.7	-171.9	-64.9	-39.4	0	0	0	112.7	I566 Y567 Q568 R570	I566-N572 HydrophobicContact CG2-CB 3.6Å; Y567-N572 WeakPolarHBondContact O-CA 3.26Å; Y567-N572 PolarHBondContact O-N 2.85Å; Q568-N572 WeakPolarHBondContact CA-OD1 3.4Å; R570-N572 PolarHBondContact O-N 2.03Å
573	E	83.6	Confident	83.9	Confident	54 Å²	54	52.4 Å²	52.4	25%	0.252	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	143.5	175	-76.8	-178.7	179.6	0	0	110.3	Y567 R570 N571 R623	Y567-E573 PolarHBondContact N-O 2.72Å; R570-E573 VanDerWaalsContact CD-OE2 3.28Å; R570-E573 WeakPolarHBondContact CD-OE2 3.4Å; R570-E573 IonicContact CZ-OE2 2.93Å; R570-E573 IonicContact NE-OE1 2.98Å; R570-E573 IonicContact NE-OE2 2.79Å; R570-E573 PolarHBondContact NE-OE2 3.13Å; R570-E573 VanDerWaalsContact NE-OE2 3.11Å; R570-E573 VanDerWaalsContact O-CB 3.27Å; R570-E573 WeakPolarHBondContact O-CB 3.48Å; R570-E573 VanDerWaalsContact O-CG 3.26Å; R570-E573 WeakPolarHBondContact O-CG 3.47Å; R570-E573 PolarHBondContact O-N 2.86Å; N571-E573 PolarHBondContact O-N 3.23Å; E573-R623 IonicContact OE1-NH1 3.62Å; E573-R623 IonicContact OE2-NH1 3.04Å
574	V	86	Confident	83.4	Confident	29 Å²	29	53.1 Å²	53.1	18%	0.176	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.5	171.2	-177.7	0	0	0	0	108.2	I528 Y565 Y624	I528-V574 HydrophobicContact CD1-CG1 3.77Å; I528-V574 HydrophobicContact CD1-CG2 4.13Å; Y565-V574 WeakPolarHBondContact O-CA 3.38Å; V574-Y624 HydrophobicContact CB-CD1 4.2Å; V574-Y624 HydrophobicContact CB-CG 4.15Å; V574-Y624 HydrophobicContact CG1-CD1 3.99Å; V574-Y624 HydrophobicContact CG1-CD2 3.94Å; V574-Y624 HydrophobicContact CG1-CE2 4.49Å; V574-Y624 HydrophobicContact CG1-CG 3.66Å; V574-Y624 WeakPolarHBondContact O-CB 3.12Å; V574-Y624 PolarHBondContact O-N 3.14Å
575	V	88.5	Confident	83	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.7	176.9	-59.8	0	0	0	0	110	L525 F564 Y565 Y567 I609 I621 W622	L525-V575 HydrophobicContact CD2-CG2 4.01Å; F564-V575 WeakPolarHBondContact CA-O 3.37Å; Y565-V575 PolarHBondContact N-O 3.28Å; Y565-V575 PolarHBondContact O-N 3.08Å; Y567-V575 HydrophobicContact CG-CG1 4.48Å; V575-I609 HydrophobicContact CB-CD1 4.25Å; V575-I609 HydrophobicContact CG1-CD1 3.41Å; V575-I609 VanDerWaalsContact CG1-CD1 3.41Å; V575-I621 HydrophobicContact CB-CG2 3.73Å; V575-I621 HydrophobicContact CG1-CG2 4.19Å; V575-I621 HydrophobicContact CG2-CG2 3.69Å; V575-W622 WeakPolarHBondContact CA-O 3.41Å; V575-W622 WeakPolarHBondContact CB-O 3.16Å
576	A	88.4	Confident	82.6	Confident	6 Å²	6	60.2 Å²	60.2	5%	0.05	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.3	171.5	0	0	0	0	0	108.3	F564 W622	F564-A576 HydrophobicContact CD1-CB 4.05Å; F564-A576 HydrophobicContact CE1-CB 3.89Å; A576-W622 PolarHBondContact N-O 3.35Å; A576-W622 PolarHBondContact O-N 2.92Å
577	A	88.9	Confident	82.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.7	177.8	0	0	0	0	0	110.2	F562 I563 Y565 L619 S620 I621	F562-A577 WeakPolarHBondContact CA-O 3.47Å; I563-A577 HydrophobicContact CG2-CB 3.89Å; I563-A577 PolarHBondContact N-O 3.2Å; I563-A577 PolarHBondContact O-N 2.84Å; Y565-A577 HydrophobicContact CD2-CB 3.68Å; Y565-A577 HydrophobicContact CE2-CB 3.76Å; A577-L619 HydrophobicContact CB-CB 4.32Å; A577-L619 HydrophobicContact CB-CD1 4.35Å; A577-S620 CarbonylContact C-O 3.58Å; A577-S620 WeakPolarHBondContact CA-O 3.49Å; A577-I621 HydrophobicContact CB-CD1 3.43Å; A577-I621 VanDerWaalsContact CB-CD1 3.43Å
578	N	87.9	Confident	82.2	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.1	178.3	-58.8	2.9	0	0	0	108.6	R561 F562 L619 S620 D688	R561-N578 WeakPolarHBondContact O-CA 3.13Å; F562-N578 WeakPolarHBondContact CD1-OD1 3.43Å; F562-N578 VanDerWaalsContact CE1-CG 3.42Å; F562-N578 WeakPolarHBondContact CE1-OD1 3.28Å; N578-L619 VanDerWaalsContact O-CA 3.26Å; N578-L619 WeakPolarHBondContact O-CA 3.33Å; N578-S620 WeakPolarHBondContact CB-OG 3.36Å; N578-S620 PolarHBondContact N-O 2.95Å; N578-S620 PolarHBondContact O-N 2.8Å; N578-S620 VanDerWaalsContact O-N 3.09Å; N578-D688 VanDerWaalsContact ND2-CG 3.27Å; N578-D688 PolarHBondContact ND2-OD1 3.2Å; N578-D688 PolarHBondContact ND2-OD2 3.28Å
579	K	87.6	Confident	82.2	Confident	45 Å²	45	67.4 Å²	67.4	20%	0.196	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.9	177.8	-62.2	171	-178.2	171.4	0	109.8	E558 T559 R561 L619	E558-K579 IonicContact OE1-NZ 3.42Å; E558-K579 PolarHBondContact OE1-NZ 3.43Å; T559-K579 PolarHBondContact O-NZ 3.1Å; R561-K579 PolarHBondContact O-N 3.15Å; K579-L619 HydrophobicContact CB-CD2 4.35Å; K579-L619 HydrophobicContact CG-CD2 3.79Å
580	H	86.5	Confident	82.3	Confident	3 Å²	3	65 Å²	65	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.2	174.8	-59.4	-74.1	0	0	0	111	L618 S620 V694 D698	H580-L618 HydrophobicContact CB-CB 4.1Å; H580-L618 HydrophobicContact CB-CD2 4.42Å; H580-L618 HydrophobicContact CB-CG 4.33Å; H580-L618 PolarHBondContact N-O 2.88Å; H580-S620 VanDerWaalsContact NE2-CB 3.29Å; H580-S620 WeakPolarHBondContact NE2-CB 3.16Å; H580-S620 PolarHBondContact NE2-OG 3.32Å; H580-V694 HydrophobicContact CB-CG1 3.78Å; H580-V694 VanDerWaalsContact CG-CG1 3.43Å; H580-D698 VanDerWaalsContact CA-OD1 3.29Å; H580-D698 WeakPolarHBondContact CA-OD1 3.45Å; H580-D698 WeakPolarHBondContact CB-OD1 3.47Å; H580-D698 IonicContact CE1-OD2 3.72Å; H580-D698 IonicContact CG-OD2 3.42Å; H580-D698 IonicContact ND1-OD1 2.7Å; H580-D698 IonicContact ND1-OD2 3.68Å; H580-D698 PolarHBondContact ND1-OD2 3.36Å
581	D	81	Confident	83	Confident	95 Å²	95	65.6 Å²	65.6	51%	0.508	33%	0.328	S	S	.	.	S	Bend	trans	-79.8	-24.7	-175.5	-70.3	-38	0	0	0	112.5	D698 K699	D581-D698 PolarHBondContact N-OD1 2.91Å; D581-K699 WeakPolarHBondContact OD2-CB 3.17Å; D581-K699 PolarHBondContact OD2-N 2.78Å
582	F	78.9	Confident	83.3	Confident	84 Å²	84	60.3 Å²	60.3	37%	0.368	30%	0.303	S	S	.	.			trans	-121.2	149.9	-172.4	-173.6	-105.3	0	0	0	113.1	P584 L618 M697	F582-P584 HydrophobicContact CD1-CB 4.4Å; F582-P584 HydrophobicContact CE1-CB 4.03Å; F582-L618 VanDerWaalsContact O-CD2 3.31Å; F582-L618 WeakPolarHBondContact O-CD2 3.27Å; F582-M697 HydrophobicContact CB-CB 3.46Å; F582-M697 VanDerWaalsContact CB-CB 3.46Å; F582-M697 HydrophobicContact CB-CG 4.26Å; F582-M697 HydrophobicContact CD1-CB 3.92Å; F582-M697 HydrophobicContact CD1-CE 4.32Å; F582-M697 HydrophobicContact CD1-CG 3.74Å; F582-M697 HydrophobicContact CD2-CB 4.45Å; F582-M697 HydrophobicContact CD2-CE 3.82Å; F582-M697 HydrophobicContact CE1-CE 4.23Å; F582-M697 HydrophobicContact CE1-CG 4.21Å; F582-M697 HydrophobicContact CE2-CE 3.73Å; F582-M697 HydrophobicContact CG-CB 3.7Å; F582-M697 HydrophobicContact CG-CE 4.12Å; F582-M697 HydrophobicContact CG-CG 3.94Å; F582-M697 HydrophobicContact CZ-CE 3.95Å
583	R	82	Confident	83.6	Confident	122 Å²	122	59.8 Å²	59.8	46%	0.46	30%	0.297	S	S	.	.			trans	-118.5	102.4	175.7	-82.6	-175.6	-172	114.2	6.9	110.9	S615 Q616 Q617 L618	R583-S615 PolarHBondContact NH2-O 3.45Å; R583-Q616 PolarHBondContact NH2-O 2.83Å; R583-Q617 VanDerWaalsContact NH2-CA 3.3Å; R583-Q617 PolarHBondContact NH2-O 3.03Å; R583-L618 HydrophobicContact CG-CB 3.81Å
584	P	74.3	Confident	83.8	Confident	31 Å²	31	57.7 Å²	57.7	20%	0.201	29%	0.288	C	S	.	.			trans	-77.7	157.7	175.9	30.3	-32	0	0	0	112.3	F582 V694	F582-P584 HydrophobicContact CD1-CB 4.4Å; F582-P584 HydrophobicContact CE1-CB 4.03Å; P584-V694 HydrophobicContact CG-CG2 3.81Å
585	Q	79.2	Confident	83.8	Confident	189 Å²	189	59.1 Å²	59.1	88%	0.883	29%	0.29	S	S	*	.			trans	-87.2	113.5	166.6	-70.4	-172.2	0.4	0	0	109.1	T587	Q585-T587 PolarHBondContact O-N 2.81Å
586	L	79.3	Confident	83.7	Confident	31 Å²	31	63 Å²	63	16%	0.162	31%	0.308	C	S	.	.			trans	-79.5	117.8	-176.2	-60.5	168	0	0	0	111.9	W518 E590 R591 L594 L611	W518-L586 HydrophobicContact CH2-CD1 3.82Å; W518-L586 HydrophobicContact CZ3-CD1 4.02Å; L586-E590 WeakPolarHBondContact CA-OE2 3.46Å; L586-E590 HydrophobicContact CB-CB 4.48Å; L586-E590 HydrophobicContact CD2-CB 4.09Å; L586-R591 HydrophobicContact CB-CG 4.17Å; L586-R591 PolarHBondContact O-NE 3.2Å; L586-L594 HydrophobicContact CD1-CD1 3.66Å; L586-L594 HydrophobicContact CD2-CD1 4.12Å; L586-L594 HydrophobicContact CG-CD1 4.5Å; L586-L611 HydrophobicContact CD1-CD1 4.26Å
587	T	83.8	Confident	83.6	Confident	76 Å²	76	62.9 Å²	62.9	47%	0.466	31%	0.307	S	S	.	.			trans	-67.4	163.2	168.6	64.3	0	0	0	0	112.1	Q585 V589 E590 R591	Q585-T587 PolarHBondContact O-N 2.81Å; T587-V589 PolarHBondContact O-N 3.32Å; T587-E590 WeakPolarHBondContact CB-OE2 3.49Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.43Å; T587-E590 PolarHBondContact N-OE2 2.97Å; T587-E590 PolarHBondContact O-N 2.84Å; T587-E590 WeakPolarHBondContact OG1-CG 3.42Å; T587-E590 PolarHBondContact OG1-N 2.91Å; T587-E590 PolarHBondContact OG1-OE2 2.95Å; T587-R591 WeakPolarHBondContact O-CG 3.46Å; T587-R591 PolarHBondContact O-N 3.45Å
588	D	80.3	Confident	83.6	Confident	125 Å²	125	65.7 Å²	65.7	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-62.3	-28	178.2	-68.2	-32	0	0	0	113	S592	D588-S592 WeakPolarHBondContact O-CB 3.46Å; D588-S592 PolarHBondContact O-N 2.94Å
589	V	83.4	Confident	83.5	Confident	95 Å²	95	69.5 Å²	69.5	58%	0.576	34%	0.344	S	S	*	.	H	α-helix	trans	-68.8	-50	174.2	-179.1	0	0	0	0	109.9	T587 R591 S592 E593	T587-V589 PolarHBondContact O-N 3.32Å; V589-R591 VanDerWaalsContact C-N 3.32Å; V589-R591 PolarHBondContact O-N 2.93Å; V589-S592 CarbonylContact O-C 3.54Å; V589-S592 WeakPolarHBondContact O-CA 3.33Å; V589-S592 WeakPolarHBondContact O-CB 3.39Å; V589-S592 PolarHBondContact O-N 3.11Å; V589-E593 PolarHBondContact O-N 3.09Å
590	E	82.7	Confident	83.5	Confident	37 Å²	37	68.9 Å²	68.9	17%	0.173	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-37.2	177.6	-69	163.3	127.5	0	0	111.8	L586 T587 S592 E593 L594	L586-E590 WeakPolarHBondContact CA-OE2 3.46Å; L586-E590 HydrophobicContact CB-CB 4.48Å; L586-E590 HydrophobicContact CD2-CB 4.09Å; T587-E590 WeakPolarHBondContact CB-OE2 3.49Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.43Å; T587-E590 PolarHBondContact N-OE2 2.97Å; T587-E590 PolarHBondContact O-N 2.84Å; T587-E590 WeakPolarHBondContact OG1-CG 3.42Å; T587-E590 PolarHBondContact OG1-N 2.91Å; T587-E590 PolarHBondContact OG1-OE2 2.95Å; E590-S592 VanDerWaalsContact C-N 3.29Å; E590-S592 PolarHBondContact O-N 2.99Å; E590-E593 PolarHBondContact O-N 3.14Å; E590-L594 WeakPolarHBondContact O-CG 3.2Å; E590-L594 PolarHBondContact O-N 3.5Å
591	R	84.5	Confident	83.6	Confident	103 Å²	103	74.8 Å²	74.8	39%	0.389	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-39	171.8	-67.8	178.2	-173.9	-176.4	-1.4	111.6	W518 L586 T587 V589 L594 R595	W518-R591 HydrophobicContact CH2-CG 4.4Å; W518-R591 HydrophobicContact CZ2-CB 4.29Å; W518-R591 HydrophobicContact CZ2-CG 3.85Å; L586-R591 HydrophobicContact CB-CG 4.17Å; L586-R591 PolarHBondContact O-NE 3.2Å; T587-R591 WeakPolarHBondContact O-CG 3.46Å; T587-R591 PolarHBondContact O-N 3.45Å; V589-R591 VanDerWaalsContact C-N 3.32Å; V589-R591 PolarHBondContact O-N 2.93Å; R591-L594 PolarHBondContact O-N 3.41Å; R591-R595 WeakPolarHBondContact O-CG 3.38Å; R591-R595 PolarHBondContact O-N 2.72Å
592	S	84.1	Confident	84.1	Confident	38 Å²	38	72.3 Å²	72.3	27%	0.266	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-40.4	173.5	-160.1	0	0	0	0	112.5	D588 V589 E590 R595 Q596	D588-S592 WeakPolarHBondContact O-CB 3.46Å; D588-S592 PolarHBondContact O-N 2.94Å; V589-S592 CarbonylContact O-C 3.54Å; V589-S592 WeakPolarHBondContact O-CA 3.33Å; V589-S592 WeakPolarHBondContact O-CB 3.39Å; V589-S592 PolarHBondContact O-N 3.11Å; E590-S592 VanDerWaalsContact C-N 3.29Å; E590-S592 PolarHBondContact O-N 2.99Å; S592-R595 VanDerWaalsContact CA-NH2 3.25Å; S592-R595 PolarHBondContact O-N 3.44Å; S592-R595 PolarHBondContact OG-NH2 2.88Å; S592-Q596 VanDerWaalsContact O-CG 3.31Å; S592-Q596 WeakPolarHBondContact O-CG 3.46Å; S592-Q596 PolarHBondContact O-N 3.1Å; S592-Q596 PolarHBondContact O-NE2 2.84Å
593	E	85.3	Confident	84.7	Confident	89 Å²	89	73.4 Å²	73.4	42%	0.416	37%	0.37	S	S	.	.	H	α-helix	trans	-66.1	-41.3	174.9	-70.2	175	-178.7	0	0	111.4	V589 E590 Q596 M597 M664	V589-E593 PolarHBondContact O-N 3.09Å; E590-E593 PolarHBondContact O-N 3.14Å; E593-Q596 CarbonylContact O-C 3.57Å; E593-Q596 PolarHBondContact O-N 3.36Å; E593-M597 VanDerWaalsContact O-CB 3.28Å; E593-M597 WeakPolarHBondContact O-CB 3.48Å; E593-M597 PolarHBondContact O-N 2.96Å; E593-M664 HydrophobicContact CG-SD 4.49Å; E593-M664 WeakPolarHBondContact O-CE 3.34Å
594	L	86.8	Confident	85.3	Confident	10 Å²	10	68 Å²	68	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-40.4	174.5	-70.9	172.6	0	0	0	112.4	W518 L586 E590 R591 Q596 M597 R598 F608 L611 L691	W518-L594 HydrophobicContact CD2-CB 4.26Å; W518-L594 HydrophobicContact CD2-CD1 4.36Å; W518-L594 HydrophobicContact CE3-CD1 4.03Å; W518-L594 HydrophobicContact CG-CB 4.36Å; W518-L594 HydrophobicContact CH2-CD1 4.26Å; W518-L594 HydrophobicContact CZ3-CD1 3.98Å; L586-L594 HydrophobicContact CD1-CD1 3.66Å; L586-L594 HydrophobicContact CD2-CD1 4.12Å; L586-L594 HydrophobicContact CG-CD1 4.5Å; E590-L594 WeakPolarHBondContact O-CG 3.2Å; E590-L594 PolarHBondContact O-N 3.5Å; R591-L594 PolarHBondContact O-N 3.41Å; L594-Q596 VanDerWaalsContact C-N 3.33Å; L594-Q596 PolarHBondContact O-N 3.26Å; L594-M597 HydrophobicContact CD2-CE 4.37Å; L594-M597 PolarHBondContact O-N 3.46Å; L594-R598 WeakPolarHBondContact O-CB 3.3Å; L594-R598 PolarHBondContact O-N 3.37Å; L594-F608 HydrophobicContact CD2-CE1 4.04Å; L594-F608 HydrophobicContact CD2-CZ 4.08Å; L594-L611 HydrophobicContact CD1-CD1 3.87Å; L594-L611 HydrophobicContact CD2-CD1 4.17Å; L594-L611 HydrophobicContact CD2-CG 4.47Å; L594-L691 HydrophobicContact CD2-CD2 3.9Å
595	R	85.8	Confident	86.3	Confident	59 Å²	59	67 Å²	67	22%	0.223	34%	0.342	C	S	.	.	H	α-helix	trans	-58.8	-45.4	172.3	-76.1	-170.8	-59.3	-97	4.7	111.1	D515 R591 S592 S599	D515-R595 WeakPolarHBondContact OD1-CD 3.45Å; D515-R595 WeakPolarHBondContact OD1-CG 3.45Å; D515-R595 IonicContact OD1-CZ 2.68Å; D515-R595 IonicContact OD1-NE 3.75Å; D515-R595 IonicContact OD1-NH1 2.79Å; D515-R595 PolarHBondContact OD1-NH1 2.98Å; D515-R595 IonicContact OD2-CZ 3.45Å; D515-R595 IonicContact OD2-NH1 3.72Å; D515-R595 PolarHBondContact OD2-NH1 3.48Å; R591-R595 WeakPolarHBondContact O-CG 3.38Å; R591-R595 PolarHBondContact O-N 2.72Å; S592-R595 VanDerWaalsContact CA-NH2 3.25Å; S592-R595 PolarHBondContact O-N 3.44Å; S592-R595 PolarHBondContact OG-NH2 2.88Å; R595-S599 PolarHBondContact O-N 3.11Å
596	Q	86	Confident	87	Confident	80 Å²	80	58 Å²	58	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-67.5	-43	177.3	-72.2	174.2	67.5	0	0	111.4	S592 E593 L594 R598 S599 L600 M664	S592-Q596 VanDerWaalsContact O-CG 3.31Å; S592-Q596 WeakPolarHBondContact O-CG 3.46Å; S592-Q596 PolarHBondContact O-N 3.1Å; S592-Q596 PolarHBondContact O-NE2 2.84Å; E593-Q596 CarbonylContact O-C 3.57Å; E593-Q596 PolarHBondContact O-N 3.36Å; L594-Q596 VanDerWaalsContact C-N 3.33Å; L594-Q596 PolarHBondContact O-N 3.26Å; Q596-R598 VanDerWaalsContact C-N 3.32Å; Q596-R598 PolarHBondContact O-N 2.82Å; Q596-S599 CarbonylContact O-C 3.55Å; Q596-S599 WeakPolarHBondContact O-CA 3.39Å; Q596-S599 PolarHBondContact O-N 3.31Å; Q596-S599 PolarHBondContact O-OG 3.37Å; Q596-L600 WeakPolarHBondContact O-CG 3.31Å; Q596-L600 PolarHBondContact O-N 3.08Å; Q596-M664 HydrophobicContact CB-CE 3.84Å
597	M	88	Confident	87.6	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.02	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-39.4	179.6	-164.4	173.6	90.4	0	0	111.7	E593 L594 S599 L600 F608 W622 M664 L665 F689 L691	E593-M597 VanDerWaalsContact O-CB 3.28Å; E593-M597 WeakPolarHBondContact O-CB 3.48Å; E593-M597 PolarHBondContact O-N 2.96Å; L594-M597 HydrophobicContact CD2-CE 4.37Å; L594-M597 PolarHBondContact O-N 3.46Å; M597-S599 VanDerWaalsContact C-N 3.29Å; M597-S599 PolarHBondContact O-N 3.33Å; M597-L600 HydrophobicContact CG-CD1 4.47Å; M597-L600 WeakPolarHBondContact O-CB 3.47Å; M597-L600 PolarHBondContact O-N 3.43Å; M597-F608 HydrophobicContact CE-CB 3.84Å; M597-F608 HydrophobicContact CE-CD1 3.28Å; M597-F608 HydrophobicContact CE-CD2 3.33Å; M597-F608 HydrophobicContact CE-CE1 3.46Å; M597-F608 VanDerWaalsContact CE-CE1 3.46Å; M597-F608 HydrophobicContact CE-CE2 3.52Å; M597-F608 HydrophobicContact CE-CG 3.18Å; M597-F608 HydrophobicContact CE-CZ 3.55Å; M597-F608 HydrophobicContact CG-CB 4.43Å; M597-F608 HydrophobicContact CG-CD1 4.37Å; M597-W622 HydrophobicContact CE-CH2 4.27Å; M597-M664 HydrophobicContact CB-CE 3.92Å; M597-L665 HydrophobicContact SD-CD2 4.42Å; M597-F689 HydrophobicContact CG-CD2 4.24Å; M597-F689 HydrophobicContact CG-CE2 3.8Å; M597-F689 HydrophobicContact SD-CD2 4.11Å; M597-F689 HydrophobicContact SD-CE2 4.21Å; M597-L691 HydrophobicContact CE-CD2 3.8Å; M597-L691 HydrophobicContact CE-CG 3.98Å
598	R	87.3	Confident	87.9	Confident	60 Å²	60	55 Å²	55	23%	0.226	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-32.9	172.3	-179.9	-179.9	167.6	123.2	-18.8	112.1	L517 L594 Q596 K607 F608 I609	L517-R598 PolarHBondContact O-NH1 3.46Å; L517-R598 PolarHBondContact O-NH2 2.94Å; L594-R598 WeakPolarHBondContact O-CB 3.3Å; L594-R598 PolarHBondContact O-N 3.37Å; Q596-R598 VanDerWaalsContact C-N 3.32Å; Q596-R598 PolarHBondContact O-N 2.82Å; R598-K607 WeakPolarHBondContact O-CE 3.39Å; R598-K607 PolarHBondContact O-NZ 3.15Å; R598-F608 HydrophobicContact CB-CD1 4.33Å; R598-I609 PolarHBondContact NH1-O 3.21Å
599	S	86.2	Confident	88.4	Confident	84 Å²	84	49.2 Å²	49.2	59%	0.587	25%	0.249	S	C	*	.	H	α-helix	trans	-80.6	-20.8	177.8	71.7	0	0	0	0	113.2	R595 Q596 M597 D601	R595-S599 PolarHBondContact O-N 3.11Å; Q596-S599 CarbonylContact O-C 3.55Å; Q596-S599 WeakPolarHBondContact O-CA 3.39Å; Q596-S599 PolarHBondContact O-N 3.31Å; Q596-S599 PolarHBondContact O-OG 3.37Å; M597-S599 VanDerWaalsContact C-N 3.29Å; M597-S599 PolarHBondContact O-N 3.33Å; S599-D601 PolarHBondContact O-N 2.95Å
600	L	88.6	Confident	88.7	Confident	31 Å²	31	44.7 Å²	44.7	16%	0.162	22%	0.221	C	C	.	.			trans	-54.7	125.3	173.7	-65.8	-178.3	0	0	0	110.5	Q596 M597 K607 F659 M664 L665 F689	Q596-L600 WeakPolarHBondContact O-CG 3.31Å; Q596-L600 PolarHBondContact O-N 3.08Å; M597-L600 HydrophobicContact CG-CD1 4.47Å; M597-L600 WeakPolarHBondContact O-CB 3.47Å; M597-L600 PolarHBondContact O-N 3.43Å; L600-K607 PolarHBondContact O-NZ 3.21Å; L600-F659 HydrophobicContact CD1-CE1 4.39Å; L600-F659 HydrophobicContact CD2-CE1 3.92Å; L600-F659 HydrophobicContact CD2-CZ 4.01Å; L600-M664 HydrophobicContact CD1-CE 4.19Å; L600-L665 HydrophobicContact CD1-CD1 3.79Å; L600-L665 HydrophobicContact CD1-CG 4.21Å; L600-F689 HydrophobicContact CD1-CE2 4.33Å
601	D	88	Confident	89	Confident	128 Å²	128	43 Å²	43	68%	0.684	21%	0.213	S	C	*	.			trans	-137.3	120.4	176.6	-160.1	21	0	0	0	107.9	S599	S599-D601 PolarHBondContact O-N 2.95Å
602	H	92.7	Very high	89.3	Confident	43 Å²	43	38 Å²	38	20%	0.199	20%	0.195	C	C	.	.			trans	-154.1	140.3	-178.1	-177.2	-88.2	0	0	0	108	N604 L605 F659	H602-N604 PolarHBondContact ND1-N 2.7Å; H602-N604 VanDerWaalsContact ND1-N 3.12Å; H602-N604 PolarHBondContact O-N 2.73Å; H602-N604 VanDerWaalsContact O-N 3.11Å; H602-L605 HydrophobicContact CB-CB 4.15Å; H602-L605 HydrophobicContact CB-CD1 4.19Å; H602-L605 HydrophobicContact CB-CG 3.99Å; H602-L605 PolarHBondContact O-N 2.98Å; H602-F659 HydrophobicContact CB-CD1 4.23Å; H602-F659 HydrophobicContact CB-CD2 4.34Å; H602-F659 HydrophobicContact CB-CE1 4.31Å; H602-F659 HydrophobicContact CB-CE2 4.43Å; H602-F659 HydrophobicContact CB-CG 4.21Å; H602-F659 HydrophobicContact CB-CZ 4.4Å; H602-F659 AromaticContact CD2-CD2 3.38Å; H602-F659 WeakPolarHBondContact CD2-CD2 3.41Å; H602-F659 AromaticContact CD2-CG 3.65Å; H602-F659 AromaticContact CG-CD2 3.99Å; H602-F659 AromaticContact CG-CG 3.87Å
603	D	91.4	Very high	89.4	Confident	107 Å²	107	39.2 Å²	39.2	57%	0.572	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.1	-172.8	-66	-23.3	0	0	0	112.6	K685	D603-K685 PolarHBondContact O-NZ 2.87Å
604	N	94.6	Very high	89.3	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.048	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.8	-179.4	-51.6	115.5	0	0	0	115.3	H602 D652 N655 V684 K685 I686	H602-N604 PolarHBondContact ND1-N 2.7Å; H602-N604 VanDerWaalsContact ND1-N 3.12Å; H602-N604 PolarHBondContact O-N 2.73Å; H602-N604 VanDerWaalsContact O-N 3.11Å; N604-D652 WeakPolarHBondContact CB-O 3.34Å; N604-D652 WeakPolarHBondContact ND2-CA 3.49Å; N604-D652 WeakPolarHBondContact ND2-CB 3.46Å; N604-D652 PolarHBondContact ND2-OD1 2.91Å; N604-D652 PolarHBondContact ND2-OD2 3.41Å; N604-N655 VanDerWaalsContact OD1-CB 3.32Å; N604-N655 WeakPolarHBondContact OD1-CB 3.34Å; N604-V684 WeakPolarHBondContact CA-O 3.44Å; N604-V684 WeakPolarHBondContact CB-O 3.29Å; N604-V684 PolarHBondContact ND2-O 3.3Å; N604-K685 WeakPolarHBondContact O-CA 3.21Å; N604-I686 PolarHBondContact O-N 3.39Å
605	L	94.6	Very high	89.1	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.042	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-113.4	139.2	170.2	-65.7	-169.4	0	0	0	110.5	H602 F659 I660 I686 F689	H602-L605 HydrophobicContact CB-CB 4.15Å; H602-L605 HydrophobicContact CB-CD1 4.19Å; H602-L605 HydrophobicContact CB-CG 3.99Å; H602-L605 PolarHBondContact O-N 2.98Å; L605-F659 HydrophobicContact CD1-CD1 3.42Å; L605-F659 VanDerWaalsContact CD1-CD1 3.42Å; L605-F659 HydrophobicContact CD1-CE1 3.77Å; L605-F659 HydrophobicContact CD1-CG 4.42Å; L605-F659 HydrophobicContact CG-CD1 4.34Å; L605-I660 HydrophobicContact CD1-CG1 4.17Å; L605-I660 HydrophobicContact CD2-CD1 3.7Å; L605-I660 HydrophobicContact CD2-CG1 3.81Å; L605-I686 HydrophobicContact CD2-CB 3.92Å; L605-F689 HydrophobicContact CB-CE1 3.92Å; L605-F689 HydrophobicContact CB-CZ 4.12Å; L605-F689 HydrophobicContact CD1-CE1 4.15Å; L605-F689 HydrophobicContact CD1-CE2 4.49Å; L605-F689 HydrophobicContact CD1-CZ 3.98Å; L605-F689 HydrophobicContact CD2-CD1 4.25Å; L605-F689 HydrophobicContact CD2-CE1 3.99Å; L605-F689 HydrophobicContact CG-CE1 4.25Å; L605-F689 HydrophobicContact CG-CZ 4.48Å
606	N	93	Very high	88.9	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.237	C	C	.	.			trans	-76.1	136.5	173.1	-165.7	15.5	0	0	0	109.5	F608 W622 R623 L677 K685 I686	N606-F608 PolarHBondContact O-N 3.19Å; N606-F608 VanDerWaalsContact O-N 3.14Å; N606-W622 HydrophobicContact CB-CE3 4.37Å; N606-R623 PolarHBondContact ND2-O 3.26Å; N606-R623 WeakPolarHBondContact OD1-CB 3.09Å; N606-R623 PolarHBondContact OD1-O 2.98Å; N606-L677 WeakPolarHBondContact ND2-CD1 3.46Å; N606-K685 HydrophobicContact CB-CB 4Å; N606-I686 PolarHBondContact N-O 3.48Å
607	K	91.7	Very high	88.9	Confident	42 Å²	42	46.1 Å²	46.1	18%	0.183	24%	0.238	C	C	.	.			trans	-70.2	115.4	-176.5	-169.3	70.9	-179.9	-179.4	0	110	R598 L600 I609 R623	R598-K607 WeakPolarHBondContact O-CE 3.39Å; R598-K607 PolarHBondContact O-NZ 3.15Å; L600-K607 PolarHBondContact O-NZ 3.21Å; K607-I609 PolarHBondContact O-N 2.8Å; K607-R623 HydrophobicContact CB-CB 4.16Å; K607-R623 PolarHBondContact O-N 3.05Å; K607-R623 VanDerWaalsContact O-N 3.07Å
608	F	92	Very high	88.9	Confident	2 Å²	2	46 Å²	46	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.7	166.1	179.6	-110.3	0	0	0	109.8	L594 M597 R598 N606 G610 L611 W622 L691	L594-F608 HydrophobicContact CD2-CE1 4.04Å; L594-F608 HydrophobicContact CD2-CZ 4.08Å; M597-F608 HydrophobicContact CE-CB 3.84Å; M597-F608 HydrophobicContact CE-CD1 3.28Å; M597-F608 HydrophobicContact CE-CD2 3.33Å; M597-F608 HydrophobicContact CE-CE1 3.46Å; M597-F608 VanDerWaalsContact CE-CE1 3.46Å; M597-F608 HydrophobicContact CE-CE2 3.52Å; M597-F608 HydrophobicContact CE-CG 3.18Å; M597-F608 HydrophobicContact CE-CZ 3.55Å; M597-F608 HydrophobicContact CG-CB 4.43Å; M597-F608 HydrophobicContact CG-CD1 4.37Å; R598-F608 HydrophobicContact CB-CD1 4.33Å; N606-F608 PolarHBondContact O-N 3.19Å; N606-F608 VanDerWaalsContact O-N 3.14Å; F608-G610 WeakPolarHBondContact CE2-O 3.36Å; F608-G610 VanDerWaalsContact CZ-CA 3.46Å; F608-G610 WeakPolarHBondContact CZ-O 3.4Å; F608-L611 HydrophobicContact CE2-CD2 4Å; F608-L611 HydrophobicContact CZ-CD2 3.78Å; F608-L611 HydrophobicContact CZ-CG 3.92Å; F608-W622 HydrophobicContact CB-CE3 4.07Å; F608-W622 HydrophobicContact CB-CH2 4.18Å; F608-W622 HydrophobicContact CB-CZ3 3.79Å; F608-W622 HydrophobicContact CD2-CD2 4.14Å; F608-W622 AromaticContact CD2-CE2 3.87Å; F608-W622 HydrophobicContact CD2-CE3 4.29Å; F608-W622 AromaticContact CD2-CH2 3.93Å; F608-W622 HydrophobicContact CD2-CH2 3.93Å; F608-W622 AromaticContact CD2-CZ2 3.76Å; F608-W622 HydrophobicContact CD2-CZ2 3.76Å; F608-W622 HydrophobicContact CD2-CZ3 4.2Å; F608-W622 HydrophobicContact CE2-CZ2 4.35Å; F608-W622 HydrophobicContact CG-CH2 4.45Å; F608-W622 HydrophobicContact CG-CZ3 4.48Å; F608-L691 HydrophobicContact CE2-CD1 4.21Å; F608-L691 HydrophobicContact CE2-CD2 4.49Å; F608-L691 HydrophobicContact CZ-CD2 4.46Å
609	I	89.7	Confident	89	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-46.9	179.2	-62.5	176.4	0	0	0	109.3	V520 Y567 V575 R598 K607 I621	V520-I609 HydrophobicContact CG2-CG2 4.17Å; Y567-I609 HydrophobicContact CD1-CG2 4.41Å; Y567-I609 HydrophobicContact CE1-CG2 3.98Å; V575-I609 HydrophobicContact CB-CD1 4.25Å; V575-I609 HydrophobicContact CG1-CD1 3.41Å; V575-I609 VanDerWaalsContact CG1-CD1 3.41Å; R598-I609 PolarHBondContact NH1-O 3.21Å; K607-I609 PolarHBondContact O-N 2.8Å; I609-I621 HydrophobicContact CB-CB 4.19Å; I609-I621 HydrophobicContact CB-CG2 4.05Å; I609-I621 WeakPolarHBondContact CB-O 3.39Å; I609-I621 HydrophobicContact CD1-CG2 4.14Å; I609-I621 HydrophobicContact CG2-CG2 4.29Å; I609-I621 PolarHBondContact N-O 3.4Å
610	G	89.7	Confident	89.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-174.6	-176.4	0	0	0	0	0	114.2	W518 F608 I621	W518-G610 CarbonylContact O-C 3.12Å; W518-G610 WeakPolarHBondContact O-CA 3.38Å; F608-G610 WeakPolarHBondContact CE2-O 3.36Å; F608-G610 VanDerWaalsContact CZ-CA 3.46Å; F608-G610 WeakPolarHBondContact CZ-O 3.4Å; G610-I621 PolarHBondContact N-O 3.21Å; G610-I621 PolarHBondContact O-N 2.82Å
611	L	90.1	Very high	89.3	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136	173.4	-61.9	-178.1	0	0	0	110.2	W518 V520 L586 L594 F608 L613 L618 L619 L691	W518-L611 PolarHBondContact O-N 2.88Å; V520-L611 PolarHBondContact N-O 3.15Å; L586-L611 HydrophobicContact CD1-CD1 4.26Å; L594-L611 HydrophobicContact CD1-CD1 3.87Å; L594-L611 HydrophobicContact CD2-CD1 4.17Å; L594-L611 HydrophobicContact CD2-CG 4.47Å; F608-L611 HydrophobicContact CE2-CD2 4Å; F608-L611 HydrophobicContact CZ-CD2 3.78Å; F608-L611 HydrophobicContact CZ-CG 3.92Å; L611-L613 HydrophobicContact CB-CD2 3.95Å; L611-L613 HydrophobicContact CB-CG 4.48Å; L611-L613 HydrophobicContact CD1-CD2 4.35Å; L611-L618 HydrophobicContact CB-CD1 4.39Å; L611-L619 WeakPolarHBondContact CA-O 3.34Å; L611-L691 HydrophobicContact CD2-CD1 4.34Å; L611-L691 HydrophobicContact CD2-CD2 4.19Å
612	C	89.5	Confident	89.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	95.9	168.2	-172.4	0	0	0	0	109.7	V520 A522 L525 N614 L619 I621	V520-C612 HydrophobicContact CB-CB 4.41Å; V520-C612 WeakPolarHBondContact O-CA 3.39Å; V520-C612 WeakPolarHBondContact O-CB 3.23Å; V520-C612 PolarHBondContact O-SG 2.69Å; A522-C612 PolarHBondContact N-SG 3.13Å; A522-C612 VanDerWaalsContact N-SG 3.45Å; L525-C612 HydrophobicContact CD1-CB 4.24Å; C612-N614 PolarHBondContact SG-OD1 3.32Å; C612-L619 HydrophobicContact CB-CB 4.05Å; C612-L619 HydrophobicContact CB-CD1 4.49Å; C612-L619 PolarHBondContact N-O 3.04Å; C612-L619 PolarHBondContact O-N 2.98Å; C612-I621 HydrophobicContact CB-CD1 4.4Å; C612-I621 HydrophobicContact CB-CG1 4.48Å
613	L	86.1	Confident	89.4	Confident	63 Å²	63	34.6 Å²	34.6	33%	0.33	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-25.4	-176.9	-55.9	-179	0	0	0	112.3	W518 L611 L618	W518-L613 HydrophobicContact CZ3-CD1 4.3Å; L611-L613 HydrophobicContact CB-CD2 3.95Å; L611-L613 HydrophobicContact CB-CG 4.48Å; L611-L613 HydrophobicContact CD1-CD2 4.35Å; L613-L618 HydrophobicContact CD2-CD1 3.51Å
614	N	84.4	Confident	89.2	Confident	81 Å²	81	31.5 Å²	31.5	43%	0.433	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	15.7	-171.6	66.6	-11.9	0	0	0	115	A522 C612	A522-N614 WeakPolarHBondContact CB-OD1 3.33Å; A522-N614 PolarHBondContact N-OD1 3.5Å; C612-N614 PolarHBondContact SG-OD1 3.32Å
615	S	81.8	Confident	88.9	Confident	27 Å²	27	31.5 Å²	31.5	19%	0.189	15%	0.149	C	C	.	.	S	Bend	trans	-90.6	-177	170.8	82.8	0	0	0	0	112	R583 Q617 L619	R583-S615 PolarHBondContact NH2-O 3.45Å; S615-Q617 CarbonylContact C-O 3.52Å; S615-Q617 PolarHBondContact OG-O 3.05Å; S615-L619 WeakPolarHBondContact OG-CD1 3.42Å; S615-L619 WeakPolarHBondContact OG-CG 3.21Å
616	Q	82.5	Confident	88.3	Confident	191 Å²	191	32.4 Å²	32.4	89%	0.893	16%	0.156	S	C	*	.	S	Bend	trans	-67.8	-35.1	-179.2	-73.6	-174.6	-0.4	0	0	113.6	R583	R583-Q616 PolarHBondContact NH2-O 2.83Å
617	Q	84.3	Confident	87.6	Confident	83 Å²	83	33.7 Å²	33.7	39%	0.388	16%	0.161	S	C	.	.	S	Bend	trans	-112.5	176	168.8	-70.3	-179.5	-47.5	0	0	109.2	R583 S615	R583-Q617 VanDerWaalsContact NH2-CA 3.3Å; R583-Q617 PolarHBondContact NH2-O 3.03Å; S615-Q617 CarbonylContact C-O 3.52Å; S615-Q617 PolarHBondContact OG-O 3.05Å
618	L	88	Confident	87.1	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.3	166.6	175.1	61.4	0	0	0	108	H580 F582 R583 L611 L613 V694	H580-L618 HydrophobicContact CB-CB 4.1Å; H580-L618 HydrophobicContact CB-CD2 4.42Å; H580-L618 HydrophobicContact CB-CG 4.33Å; H580-L618 PolarHBondContact N-O 2.88Å; F582-L618 VanDerWaalsContact O-CD2 3.31Å; F582-L618 WeakPolarHBondContact O-CD2 3.27Å; R583-L618 HydrophobicContact CG-CB 3.81Å; L611-L618 HydrophobicContact CB-CD1 4.39Å; L613-L618 HydrophobicContact CD2-CD1 3.51Å; L618-V694 HydrophobicContact CD2-CB 4.46Å; L618-V694 HydrophobicContact CD2-CG1 3.56Å; L618-V694 HydrophobicContact CD2-CG2 4.06Å
619	L	90.3	Very high	87	Confident	5 Å²	5	32.7 Å²	32.7	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.2	175.5	-52.5	170.7	0	0	0	110.9	Y565 A577 N578 K579 L611 C612 S615 I621	Y565-L619 HydrophobicContact CE2-CD1 3.96Å; A577-L619 HydrophobicContact CB-CB 4.32Å; A577-L619 HydrophobicContact CB-CD1 4.35Å; N578-L619 VanDerWaalsContact O-CA 3.26Å; N578-L619 WeakPolarHBondContact O-CA 3.33Å; K579-L619 HydrophobicContact CB-CD2 4.35Å; K579-L619 HydrophobicContact CG-CD2 3.79Å; L611-L619 WeakPolarHBondContact CA-O 3.34Å; C612-L619 HydrophobicContact CB-CB 4.05Å; C612-L619 HydrophobicContact CB-CD1 4.49Å; C612-L619 PolarHBondContact N-O 3.04Å; C612-L619 PolarHBondContact O-N 2.98Å; S615-L619 WeakPolarHBondContact OG-CD1 3.42Å; S615-L619 WeakPolarHBondContact OG-CG 3.21Å; L619-I621 HydrophobicContact CB-CD1 3.86Å
620	S	90.9	Very high	87	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.5	162.6	61.9	0	0	0	0	109.7	A577 N578 H580 W622 L691	A577-S620 CarbonylContact C-O 3.58Å; A577-S620 WeakPolarHBondContact CA-O 3.49Å; N578-S620 WeakPolarHBondContact CB-OG 3.36Å; N578-S620 PolarHBondContact N-O 2.95Å; N578-S620 PolarHBondContact O-N 2.8Å; N578-S620 VanDerWaalsContact O-N 3.09Å; H580-S620 VanDerWaalsContact NE2-CB 3.29Å; H580-S620 WeakPolarHBondContact NE2-CB 3.16Å; H580-S620 PolarHBondContact NE2-OG 3.32Å; S620-W622 PolarHBondContact OG-NE1 3.14Å; S620-L691 VanDerWaalsContact CB-CD1 3.47Å
621	I	90.9	Very high	87	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	-172.5	-48.1	-59	0	0	0	109	V520 L525 V575 A577 I609 G610 C612 L619	V520-I621 HydrophobicContact CB-CG1 4.3Å; V520-I621 HydrophobicContact CG1-CG1 4.25Å; V520-I621 HydrophobicContact CG2-CG1 4.3Å; L525-I621 HydrophobicContact CD1-CD1 3.8Å; L525-I621 HydrophobicContact CD1-CG1 4.46Å; V575-I621 HydrophobicContact CB-CG2 3.73Å; V575-I621 HydrophobicContact CG1-CG2 4.19Å; V575-I621 HydrophobicContact CG2-CG2 3.69Å; A577-I621 HydrophobicContact CB-CD1 3.43Å; A577-I621 VanDerWaalsContact CB-CD1 3.43Å; I609-I621 HydrophobicContact CB-CB 4.19Å; I609-I621 HydrophobicContact CB-CG2 4.05Å; I609-I621 WeakPolarHBondContact CB-O 3.39Å; I609-I621 HydrophobicContact CD1-CG2 4.14Å; I609-I621 HydrophobicContact CG2-CG2 4.29Å; I609-I621 PolarHBondContact N-O 3.4Å; G610-I621 PolarHBondContact N-O 3.21Å; G610-I621 PolarHBondContact O-N 2.82Å; C612-I621 HydrophobicContact CB-CD1 4.4Å; C612-I621 HydrophobicContact CB-CG1 4.48Å; L619-I621 HydrophobicContact CB-CD1 3.86Å
622	W	91.6	Very high	86.7	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	155.3	-177.4	-57.6	84.6	0	0	0	110.5	V575 A576 M597 N606 F608 S620 Y624 D688 F689 L691	V575-W622 WeakPolarHBondContact CA-O 3.41Å; V575-W622 WeakPolarHBondContact CB-O 3.16Å; A576-W622 PolarHBondContact N-O 3.35Å; A576-W622 PolarHBondContact O-N 2.92Å; M597-W622 HydrophobicContact CE-CH2 4.27Å; N606-W622 HydrophobicContact CB-CE3 4.37Å; F608-W622 HydrophobicContact CB-CE3 4.07Å; F608-W622 HydrophobicContact CB-CH2 4.18Å; F608-W622 HydrophobicContact CB-CZ3 3.79Å; F608-W622 HydrophobicContact CD2-CD2 4.14Å; F608-W622 AromaticContact CD2-CE2 3.87Å; F608-W622 HydrophobicContact CD2-CE3 4.29Å; F608-W622 AromaticContact CD2-CH2 3.93Å; F608-W622 HydrophobicContact CD2-CH2 3.93Å; F608-W622 AromaticContact CD2-CZ2 3.76Å; F608-W622 HydrophobicContact CD2-CZ2 3.76Å; F608-W622 HydrophobicContact CD2-CZ3 4.2Å; F608-W622 HydrophobicContact CE2-CZ2 4.35Å; F608-W622 HydrophobicContact CG-CH2 4.45Å; F608-W622 HydrophobicContact CG-CZ3 4.48Å; S620-W622 PolarHBondContact OG-NE1 3.14Å; W622-Y624 PolarHBondContact O-N 3.31Å; W622-D688 VanDerWaalsContact CH2-N 3.26Å; W622-D688 VanDerWaalsContact CZ2-CA 3.5Å; W622-F689 HydrophobicContact CH2-CD1 4.33Å; W622-F689 HydrophobicContact CH2-CD2 4.45Å; W622-F689 HydrophobicContact CH2-CE1 4.35Å; W622-F689 HydrophobicContact CH2-CE2 4.5Å; W622-F689 HydrophobicContact CH2-CG 4.38Å; W622-F689 HydrophobicContact CH2-CZ 4.45Å; W622-F689 HydrophobicContact CZ3-CD1 4.17Å; W622-F689 AromaticContact CZ3-CE1 3.8Å; W622-F689 HydrophobicContact CZ3-CE1 3.8Å; W622-F689 HydrophobicContact CZ3-CE2 4.4Å; W622-F689 AromaticContact CZ3-CZ 3.93Å; W622-F689 HydrophobicContact CZ3-CZ 3.93Å; W622-L691 HydrophobicContact CZ2-CD1 3.9Å
623	R	90.8	Very high	86.4	Confident	100 Å²	100	37.5 Å²	37.5	38%	0.377	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	136.5	173.3	179.1	179.8	-179.7	94	-5.5	110.4	E573 N606 K607	E573-R623 IonicContact OE1-NH1 3.62Å; E573-R623 IonicContact OE2-NH1 3.04Å; N606-R623 PolarHBondContact ND2-O 3.26Å; N606-R623 WeakPolarHBondContact OD1-CB 3.09Å; N606-R623 PolarHBondContact OD1-O 2.98Å; K607-R623 HydrophobicContact CB-CB 4.16Å; K607-R623 PolarHBondContact O-N 3.05Å; K607-R623 VanDerWaalsContact O-N 3.07Å
624	Y	88	Confident	86.4	Confident	42 Å²	42	35.3 Å²	35.3	17%	0.165	18%	0.18	C	C	.	.			trans	-70.6	132.4	176.3	179.1	-106.4	0	0	0	111.2	F564 V574 W622	F564-Y624 AromaticContact CD1-CD2 3.58Å; F564-Y624 HydrophobicContact CD1-CD2 3.58Å; F564-Y624 AromaticContact CD1-CE2 3.69Å; F564-Y624 HydrophobicContact CD1-CE2 3.69Å; F564-Y624 AromaticContact CE1-CD2 3.57Å; F564-Y624 HydrophobicContact CE1-CD2 3.57Å; F564-Y624 AromaticContact CE1-CE2 3.49Å; F564-Y624 HydrophobicContact CE1-CE2 3.49Å; F564-Y624 VanDerWaalsContact CE1-CE2 3.49Å; F564-Y624 HydrophobicContact CZ-CE2 4.19Å; V574-Y624 HydrophobicContact CB-CD1 4.2Å; V574-Y624 HydrophobicContact CB-CG 4.15Å; V574-Y624 HydrophobicContact CG1-CD1 3.99Å; V574-Y624 HydrophobicContact CG1-CD2 3.94Å; V574-Y624 HydrophobicContact CG1-CE2 4.49Å; V574-Y624 HydrophobicContact CG1-CG 3.66Å; V574-Y624 WeakPolarHBondContact O-CB 3.12Å; V574-Y624 PolarHBondContact O-N 3.14Å; W622-Y624 PolarHBondContact O-N 3.31Å
625	C	87.2	Confident	86.2	Confident	8 Å²	8	35.3 Å²	35.3	5%	0.054	19%	0.187	C	C	.	.			trans	-110.3	117.9	174.8	-68.6	0	0	0	0	108.4	R627 G628 L677 I678	C625-R627 VanDerWaalsContact C-N 3.34Å; C625-R627 PolarHBondContact O-N 3.02Å; C625-G628 PolarHBondContact O-N 3.39Å; C625-L677 HydrophobicContact CB-CB 3.64Å; C625-L677 HydrophobicContact CB-CD1 4.26Å; C625-I678 CarbonylContact C-O 3.52Å; C625-I678 WeakPolarHBondContact CB-O 3.24Å
626	S	81.6	Confident	85.7	Confident	27 Å²	27	39.6 Å²	39.6	19%	0.189	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.3	-162.9	58.9	0	0	0	0	115.5	V553 D680	V553-S626 PolarHBondContact N-O 3.35Å; S626-D680 PolarHBondContact OG-N 3.02Å
627	R	78.4	Confident	84.5	Confident	28 Å²	28	36.4 Å²	36.4	11%	0.106	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.4	177.2	-54.6	-71.3	-175.2	-169.2	-2.1	112.6	L551 T552 V553 C625 I678 D679	L551-R627 WeakPolarHBondContact O-CD 2.99Å; L551-R627 PolarHBondContact O-NH1 2.89Å; T552-R627 VanDerWaalsContact N-NH1 3.13Å; V553-R627 WeakPolarHBondContact CG2-O 3.37Å; C625-R627 VanDerWaalsContact C-N 3.34Å; C625-R627 PolarHBondContact O-N 3.02Å; R627-I678 HydrophobicContact CB-CB 3.86Å; R627-I678 HydrophobicContact CB-CG2 3.77Å; R627-I678 WeakPolarHBondContact CB-O 3.12Å; R627-I678 HydrophobicContact CG-CG2 3.95Å; R627-I678 PolarHBondContact N-O 3.1Å; R627-I678 VanDerWaalsContact N-O 3.12Å; R627-D679 WeakPolarHBondContact CG-O 3.28Å
628	G	82.3	Confident	83.4	Confident	15 Å²	15	37.7 Å²	37.7	16%	0.155	22%	0.216	C	C	.	.			trans	82.6	-158.3	-178.2	0	0	0	0	0	112.7	C625 L677 I678	C625-G628 PolarHBondContact O-N 3.39Å; G628-L677 WeakPolarHBondContact O-CA 3.31Å; G628-I678 PolarHBondContact O-N 3.49Å
629	S	88.8	Confident	82.2	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.063	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-83.7	162.9	173.1	68.4	0	0	0	0	111.8	A631 D632 V633 C676	S629-A631 PolarHBondContact O-N 3.4Å; S629-D632 WeakPolarHBondContact CB-OD2 3.13Å; S629-D632 PolarHBondContact N-OD2 3.4Å; S629-D632 WeakPolarHBondContact O-CB 3.29Å; S629-D632 PolarHBondContact O-N 3.2Å; S629-D632 VanDerWaalsContact OG-CG 3.24Å; S629-D632 PolarHBondContact OG-N 3.1Å; S629-D632 PolarHBondContact OG-OD2 3.04Å; S629-V633 PolarHBondContact O-N 3.05Å; S629-C676 CarbonylContact C-O 3.59Å; S629-C676 WeakPolarHBondContact CA-O 3.33Å
630	L	90.4	Very high	81.1	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-35.4	174	179.4	60.5	0	0	0	111.5	D632 V633 I634 L649 I653 S673 C676 I678 I731 V735	L630-D632 VanDerWaalsContact C-N 3.32Å; L630-D632 PolarHBondContact O-N 2.98Å; L630-V633 PolarHBondContact O-N 3.33Å; L630-I634 HydrophobicContact CD1-CD1 4.24Å; L630-I634 HydrophobicContact CD1-CG1 4.45Å; L630-I634 HydrophobicContact CG-CD1 3.97Å; L630-I634 WeakPolarHBondContact O-CG1 3.22Å; L630-I634 PolarHBondContact O-N 2.83Å; L630-L649 HydrophobicContact CD1-CD1 3.83Å; L630-I653 HydrophobicContact CD2-CD1 3.8Å; L630-S673 WeakPolarHBondContact CB-O 3.46Å; L630-S673 PolarHBondContact N-O 2.94Å; L630-C676 HydrophobicContact CB-CB 4.07Å; L630-C676 HydrophobicContact CD2-CB 4.33Å; L630-C676 PolarHBondContact N-O 3.22Å; L630-I678 HydrophobicContact CD1-CD1 4.05Å; L630-I731 HydrophobicContact CD2-CG2 3.65Å; L630-V735 HydrophobicContact CD1-CG2 4.15Å; L630-V735 HydrophobicContact CD2-CG2 3.67Å; L630-V735 HydrophobicContact CG-CG2 4.24Å
631	A	88.3	Confident	80.4	Confident	23 Å²	23	47.3 Å²	47.3	19%	0.19	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-36.3	172.6	0	0	0	0	0	112.9	S629 V633 S635 R674	S629-A631 PolarHBondContact O-N 3.4Å; A631-V633 VanDerWaalsContact C-N 3.35Å; A631-S635 PolarHBondContact O-N 3.22Å; A631-S635 VanDerWaalsContact O-N 3.11Å; A631-S635 PolarHBondContact O-OG 3.33Å; A631-S635 VanDerWaalsContact O-OG 3.07Å; A631-R674 HydrophobicContact CB-CG 4.07Å
632	D	84.6	Confident	79.8	Confident	65 Å²	65	49.7 Å²	49.7	35%	0.348	27%	0.274	S	S	.	.	H	α-helix	trans	-69.6	-33	176.8	-59.7	-53.2	0	0	0	112.1	S629 L630 S635 R636	S629-D632 WeakPolarHBondContact CB-OD2 3.13Å; S629-D632 PolarHBondContact N-OD2 3.4Å; S629-D632 WeakPolarHBondContact O-CB 3.29Å; S629-D632 PolarHBondContact O-N 3.2Å; S629-D632 VanDerWaalsContact OG-CG 3.24Å; S629-D632 PolarHBondContact OG-N 3.1Å; S629-D632 PolarHBondContact OG-OD2 3.04Å; L630-D632 VanDerWaalsContact C-N 3.32Å; L630-D632 PolarHBondContact O-N 2.98Å; D632-S635 PolarHBondContact O-OG 2.91Å; D632-S635 VanDerWaalsContact O-OG 3.11Å; D632-R636 WeakPolarHBondContact O-CG 3.23Å
633	V	83.9	Confident	79.5	Confident	17 Å²	17	51.6 Å²	51.6	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-72.6	-43.3	176.3	173.9	0	0	0	0	111.1	S629 L630 A631 S635 R636 M641 I678 W682	S629-V633 PolarHBondContact O-N 3.05Å; L630-V633 PolarHBondContact O-N 3.33Å; A631-V633 VanDerWaalsContact C-N 3.35Å; V633-S635 PolarHBondContact O-N 3.41Å; V633-R636 PolarHBondContact O-N 3.15Å; V633-M641 HydrophobicContact CG1-SD 4.22Å; V633-I678 HydrophobicContact CB-CD1 4.28Å; V633-I678 HydrophobicContact CG2-CD1 3.74Å; V633-W682 HydrophobicContact CG1-CH2 4.5Å; V633-W682 HydrophobicContact CG1-CZ3 4.13Å; V633-W682 HydrophobicContact CG2-CZ3 4.31Å
634	I	86.5	Confident	79.1	Confident	16 Å²	16	48.4 Å²	48.4	8%	0.082	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-41.8	178.8	-68.9	166	0	0	0	111.4	L630 R636 E734 V735	L630-I634 HydrophobicContact CD1-CD1 4.24Å; L630-I634 HydrophobicContact CD1-CG1 4.45Å; L630-I634 HydrophobicContact CG-CD1 3.97Å; L630-I634 WeakPolarHBondContact O-CG1 3.22Å; L630-I634 PolarHBondContact O-N 2.83Å; I634-R636 VanDerWaalsContact C-N 3.27Å; I634-R636 PolarHBondContact O-N 2.92Å; I634-E734 HydrophobicContact CD1-CB 3.88Å; I634-V735 HydrophobicContact CD1-CG2 4.37Å
635	S	79.7	Confident	79	Confident	82 Å²	82	46.6 Å²	46.6	57%	0.573	27%	0.269	S	S	*	.	H	α-helix	trans	-69.1	-19.9	-179.8	59	0	0	0	0	114.4	A631 D632 V633 S637	A631-S635 PolarHBondContact O-N 3.22Å; A631-S635 VanDerWaalsContact O-N 3.11Å; A631-S635 PolarHBondContact O-OG 3.33Å; A631-S635 VanDerWaalsContact O-OG 3.07Å; D632-S635 PolarHBondContact O-OG 2.91Å; D632-S635 VanDerWaalsContact O-OG 3.11Å; V633-S635 PolarHBondContact O-N 3.41Å; S635-S637 PolarHBondContact O-N 3.37Å
636	R	70.5	Confident	79	Confident	117 Å²	117	46.3 Å²	46.3	44%	0.442	27%	0.267	S	S	.	.			trans	-97	86.2	178.6	-68.4	178.4	-175.7	-142.7	-0.7	109.9	D632 V633 I634 S638	D632-R636 WeakPolarHBondContact O-CG 3.23Å; V633-R636 PolarHBondContact O-N 3.15Å; I634-R636 VanDerWaalsContact C-N 3.27Å; I634-R636 PolarHBondContact O-N 2.92Å; R636-S638 PolarHBondContact O-N 2.71Å
637	S	58.8	Low	79.4	Confident	124 Å²	124	46 Å²	46	87%	0.867	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	6.3	-176.8	56.5	0	0	0	0	117.9	S635	S635-S637 PolarHBondContact O-N 3.37Å
638	S	59.3	Low	79.8	Confident	110 Å²	110	44.8 Å²	44.8	77%	0.769	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.4	-174.5	61.2	0	0	0	0	115.2	R636	R636-S638 PolarHBondContact O-N 2.71Å
639	M	64	Low	80.2	Confident	38 Å²	38	44.1 Å²	44.1	19%	0.187	25%	0.252	C	S	.	.	S	Bend	trans	-106.7	123.8	-179.8	-161.1	171.7	86.1	0	0	111.1	L551 M641 F645 W682	L551-M639 HydrophobicContact CD2-CB 4.5Å; L551-M639 HydrophobicContact CD2-CG 4.09Å; L551-M639 HydrophobicContact CD2-SD 3.36Å; L551-M639 WeakPolarHBondContact CD2-SD 3.32Å; M639-M641 VanDerWaalsContact C-N 3.34Å; M639-M641 HydrophobicContact CE-CG 3.6Å; M639-M641 HydrophobicContact CE-SD 4.47Å; M639-M641 PolarHBondContact O-N 3.01Å; M639-F645 HydrophobicContact CE-CD1 3.92Å; M639-F645 HydrophobicContact CE-CD2 4.32Å; M639-F645 HydrophobicContact CE-CE1 3.21Å; M639-F645 HydrophobicContact CE-CE2 3.73Å; M639-F645 HydrophobicContact CE-CG 4.44Å; M639-F645 HydrophobicContact CE-CZ 3.14Å; M639-F645 HydrophobicContact SD-CZ 4.45Å; M639-W682 HydrophobicContact CE-CH2 3.53Å; M639-W682 HydrophobicContact CE-CZ2 4.16Å; M639-W682 HydrophobicContact CE-CZ3 3.73Å; M639-W682 HydrophobicContact SD-CH2 3.27Å; M639-W682 WeakPolarHBondContact SD-CH2 3.37Å; M639-W682 HydrophobicContact SD-CZ2 3.48Å; M639-W682 WeakPolarHBondContact SD-CZ2 3.45Å; M639-W682 HydrophobicContact SD-CZ3 4.1Å
640	Q	67.6	Low	80.4	Confident	163 Å²	163	43.7 Å²	43.7	76%	0.762	25%	0.249	S	C	*	.			trans	-71.9	91.3	168.7	-69.5	-176.1	-13.8	0	0	108.5	D642	Q640-D642 PolarHBondContact O-N 2.58Å
641	M	75.2	Confident	80.5	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.034	26%	0.262	C	S	.	.			trans	-76.1	103.2	170.7	-66.9	174.1	64.5	0	0	107.9	V633 M639 F645 M646 L649 V735 L776	V633-M641 HydrophobicContact CG1-SD 4.22Å; M639-M641 VanDerWaalsContact C-N 3.34Å; M639-M641 HydrophobicContact CE-CG 3.6Å; M639-M641 HydrophobicContact CE-SD 4.47Å; M639-M641 PolarHBondContact O-N 3.01Å; M641-F645 HydrophobicContact CB-CD1 4.02Å; M641-F645 HydrophobicContact CE-CD1 3.9Å; M641-F645 HydrophobicContact CE-CE1 3.93Å; M641-F645 HydrophobicContact CG-CD1 3.77Å; M641-F645 HydrophobicContact CG-CE1 3.96Å; M641-F645 HydrophobicContact SD-CE1 4.46Å; M641-M646 HydrophobicContact CB-CE 3.8Å; M641-M646 HydrophobicContact CB-CG 4.15Å; M641-M646 HydrophobicContact CE-CG 4.14Å; M641-M646 WeakPolarHBondContact O-CE 3.3Å; M641-L649 HydrophobicContact CE-CD1 3.55Å; M641-V735 HydrophobicContact CE-CG1 4.33Å; M641-L776 WeakPolarHBondContact O-CD1 3.35Å
642	D	79.4	Confident	80.8	Confident	51 Å²	51	46.9 Å²	46.9	27%	0.273	26%	0.257	S	S	.	.			trans	-75.7	171.8	172.2	68.6	13.8	0	0	0	111.4	Q640 F644 F645 M646 H821	Q640-D642 PolarHBondContact O-N 2.58Å; D642-F644 VanDerWaalsContact C-N 3.29Å; D642-F644 PolarHBondContact O-N 3.37Å; D642-F644 PolarHBondContact OD1-N 3.4Å; D642-F645 WeakPolarHBondContact O-CB 3.36Å; D642-F645 PolarHBondContact O-N 2.93Å; D642-F645 WeakPolarHBondContact OD1-CB 3.24Å; D642-F645 PolarHBondContact OD1-N 3.17Å; D642-M646 WeakPolarHBondContact O-CG 3.37Å; D642-M646 PolarHBondContact O-N 2.76Å; D642-H821 IonicContact OD1-NE2 3.77Å; D642-H821 IonicContact OD2-CD2 2.75Å; D642-H821 IonicContact OD2-CE1 2.95Å; D642-H821 IonicContact OD2-NE2 3.64Å; D642-H821 PolarHBondContact OD2-NE2 3.48Å
643	S	83.6	Confident	81.3	Confident	42 Å²	42	43.8 Å²	43.8	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-39.1	-177.1	-167.8	0	0	0	0	112.7	M646 L647 E777	S643-M646 PolarHBondContact O-N 3.32Å; S643-L647 WeakPolarHBondContact O-CB 3.48Å; S643-L647 PolarHBondContact O-N 3.17Å; S643-E777 WeakPolarHBondContact CB-O 3.38Å; S643-E777 PolarHBondContact OG-O 2.95Å
644	F	83.8	Confident	81.9	Confident	33 Å²	33	43 Å²	43	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-42.5	177.4	176.7	-97.2	0	0	0	111.9	D642 L647 S648 K814 L818 H821	D642-F644 VanDerWaalsContact C-N 3.29Å; D642-F644 PolarHBondContact O-N 3.37Å; D642-F644 PolarHBondContact OD1-N 3.4Å; F644-L647 PolarHBondContact O-N 2.81Å; F644-S648 WeakPolarHBondContact O-CB 3.43Å; F644-S648 PolarHBondContact O-N 2.87Å; F644-S648 PolarHBondContact O-OG 3.37Å; F644-K814 HydrophobicContact CE2-CB 4.41Å; F644-L818 HydrophobicContact CD1-CD1 4.23Å; F644-L818 HydrophobicContact CE1-CD1 4.04Å; F644-H821 HydrophobicContact CD1-CB 4.09Å; F644-H821 AromaticContact CD1-CD2 3.55Å; F644-H821 AromaticContact CD1-CG 3.63Å; F644-H821 AromaticContact CD1-NE2 3.9Å; F644-H821 HydrophobicContact CE1-CB 3.7Å; F644-H821 AromaticContact CE1-CG 3.76Å
645	F	84.8	Confident	82.2	Confident	3 Å²	3	43.5 Å²	43.5	1%	0.013	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-46.8	177.3	-171.1	-81.6	0	0	0	111.1	M639 M641 D642 S648 L649 W682 L818 V822	M639-F645 HydrophobicContact CE-CD1 3.92Å; M639-F645 HydrophobicContact CE-CD2 4.32Å; M639-F645 HydrophobicContact CE-CE1 3.21Å; M639-F645 HydrophobicContact CE-CE2 3.73Å; M639-F645 HydrophobicContact CE-CG 4.44Å; M639-F645 HydrophobicContact CE-CZ 3.14Å; M639-F645 HydrophobicContact SD-CZ 4.45Å; M641-F645 HydrophobicContact CB-CD1 4.02Å; M641-F645 HydrophobicContact CE-CD1 3.9Å; M641-F645 HydrophobicContact CE-CE1 3.93Å; M641-F645 HydrophobicContact CG-CD1 3.77Å; M641-F645 HydrophobicContact CG-CE1 3.96Å; M641-F645 HydrophobicContact SD-CE1 4.46Å; D642-F645 WeakPolarHBondContact O-CB 3.36Å; D642-F645 PolarHBondContact O-N 2.93Å; D642-F645 WeakPolarHBondContact OD1-CB 3.24Å; D642-F645 PolarHBondContact OD1-N 3.17Å; F645-S648 WeakPolarHBondContact O-CB 3.34Å; F645-S648 PolarHBondContact O-N 3.3Å; F645-L649 HydrophobicContact CD1-CD1 4.11Å; F645-L649 HydrophobicContact CD1-CG 4.37Å; F645-L649 HydrophobicContact CE1-CD1 3.65Å; F645-L649 HydrophobicContact CE1-CD2 4.29Å; F645-L649 HydrophobicContact CE1-CG 4.03Å; F645-L649 HydrophobicContact CZ-CD2 4.48Å; F645-L649 PolarHBondContact O-N 3.4Å; F645-W682 HydrophobicContact CE1-CE3 4.38Å; F645-W682 HydrophobicContact CE1-CZ3 4.35Å; F645-W682 HydrophobicContact CE2-CD2 4.15Å; F645-W682 HydrophobicContact CE2-CE3 4.16Å; F645-W682 HydrophobicContact CE2-CG 4.4Å; F645-W682 AromaticContact CZ-CD2 3.86Å; F645-W682 HydrophobicContact CZ-CD2 3.86Å; F645-W682 AromaticContact CZ-CE3 3.41Å; F645-W682 HydrophobicContact CZ-CE3 3.41Å; F645-W682 VanDerWaalsContact CZ-CE3 3.41Å; F645-W682 HydrophobicContact CZ-CG 4.46Å; F645-W682 HydrophobicContact CZ-CH2 4.36Å; F645-W682 AromaticContact CZ-CZ3 3.66Å; F645-W682 HydrophobicContact CZ-CZ3 3.66Å; F645-L818 HydrophobicContact CB-CD1 4.24Å; F645-L818 HydrophobicContact CD2-CD1 3.43Å; F645-L818 VanDerWaalsContact CD2-CD1 3.43Å; F645-L818 HydrophobicContact CD2-CD2 4.12Å; F645-L818 HydrophobicContact CD2-CG 4.01Å; F645-L818 HydrophobicContact CE2-CD1 3.9Å; F645-L818 HydrophobicContact CE2-CD2 3.81Å; F645-L818 HydrophobicContact CE2-CG 3.95Å; F645-L818 HydrophobicContact CG-CD1 4.05Å; F645-L818 HydrophobicContact CZ-CD2 4.17Å; F645-V822 HydrophobicContact CD2-CG2 4Å; F645-V822 HydrophobicContact CE2-CG2 3.74Å
646	M	87.6	Confident	83	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-48	176.4	-70.2	-178.7	179.5	0	0	112.8	M641 D642 S643 S648 L649 I650 V735 R738 L776 I778	M641-M646 HydrophobicContact CB-CE 3.8Å; M641-M646 HydrophobicContact CB-CG 4.15Å; M641-M646 HydrophobicContact CE-CG 4.14Å; M641-M646 WeakPolarHBondContact O-CE 3.3Å; D642-M646 WeakPolarHBondContact O-CG 3.37Å; D642-M646 PolarHBondContact O-N 2.76Å; S643-M646 PolarHBondContact O-N 3.32Å; M646-S648 VanDerWaalsContact C-N 3.26Å; M646-S648 PolarHBondContact O-N 3.05Å; M646-L649 PolarHBondContact O-N 2.68Å; M646-I650 WeakPolarHBondContact O-CG1 3.46Å; M646-I650 PolarHBondContact O-N 3.3Å; M646-I650 VanDerWaalsContact O-N 3.1Å; M646-V735 HydrophobicContact CB-CG1 3.86Å; M646-V735 HydrophobicContact CG-CG1 3.94Å; M646-R738 HydrophobicContact CE-CG 3.67Å; M646-L776 HydrophobicContact CE-CD1 4.28Å; M646-L776 HydrophobicContact CE-CD2 3.56Å; M646-L776 HydrophobicContact SD-CD2 3.65Å; M646-I778 HydrophobicContact SD-CD1 4.49Å
647	L	89.1	Confident	84.2	Confident	20 Å²	20	34 Å²	34	11%	0.105	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-36.3	179.8	-174	65.8	0	0	0	111.6	S643 F644 I650 R651 L782 L807 M810 N811	S643-L647 WeakPolarHBondContact O-CB 3.48Å; S643-L647 PolarHBondContact O-N 3.17Å; F644-L647 PolarHBondContact O-N 2.81Å; L647-I650 PolarHBondContact O-N 3.28Å; L647-R651 VanDerWaalsContact O-CB 3.32Å; L647-R651 WeakPolarHBondContact O-CB 3.31Å; L647-R651 PolarHBondContact O-N 3.45Å; L647-L782 HydrophobicContact CD1-CD2 4.43Å; L647-L807 HydrophobicContact CD1-CD2 3.97Å; L647-M810 HydrophobicContact CD1-CB 4.45Å; L647-M810 HydrophobicContact CD2-CB 4.3Å; L647-N811 HydrophobicContact CD2-CB 4.35Å
648	S	88.7	Confident	85.9	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-62.8	-45.7	176.8	-64.5	0	0	0	0	112.1	F644 F645 M646 I650 R651 D652	F644-S648 WeakPolarHBondContact O-CB 3.43Å; F644-S648 PolarHBondContact O-N 2.87Å; F644-S648 PolarHBondContact O-OG 3.37Å; F645-S648 WeakPolarHBondContact O-CB 3.34Å; F645-S648 PolarHBondContact O-N 3.3Å; M646-S648 VanDerWaalsContact C-N 3.26Å; M646-S648 PolarHBondContact O-N 3.05Å; S648-I650 PolarHBondContact O-N 3.12Å; S648-R651 PolarHBondContact O-N 3.3Å; S648-D652 PolarHBondContact O-N 2.9Å
649	L	90.5	Very high	87.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-44.1	175.7	-62.8	180	0	0	0	112.1	L630 M641 F645 M646 R651 D652 I653 I678 V684 L818	L630-L649 HydrophobicContact CD1-CD1 3.83Å; M641-L649 HydrophobicContact CE-CD1 3.55Å; F645-L649 HydrophobicContact CD1-CD1 4.11Å; F645-L649 HydrophobicContact CD1-CG 4.37Å; F645-L649 HydrophobicContact CE1-CD1 3.65Å; F645-L649 HydrophobicContact CE1-CD2 4.29Å; F645-L649 HydrophobicContact CE1-CG 4.03Å; F645-L649 HydrophobicContact CZ-CD2 4.48Å; F645-L649 PolarHBondContact O-N 3.4Å; M646-L649 PolarHBondContact O-N 2.68Å; L649-R651 VanDerWaalsContact C-N 3.33Å; L649-R651 PolarHBondContact O-N 3.47Å; L649-D652 PolarHBondContact O-N 2.94Å; L649-I653 WeakPolarHBondContact O-CG1 3.31Å; L649-I653 PolarHBondContact O-N 3.46Å; L649-I653 VanDerWaalsContact O-N 3.15Å; L649-I678 HydrophobicContact CD2-CD1 4.29Å; L649-V684 HydrophobicContact CB-CG2 3.95Å; L649-V684 HydrophobicContact CD2-CG2 3.45Å; L649-V684 VanDerWaalsContact CD2-CG2 3.45Å; L649-V684 HydrophobicContact CG-CG2 4.27Å; L649-L818 HydrophobicContact CD2-CD2 4.26Å
650	I	93.4	Very high	89	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-42.6	179	-69.6	170	0	0	0	110.8	M646 L647 S648 I653 A654 F728 C732 V735 I736 L782 L807	M646-I650 WeakPolarHBondContact O-CG1 3.46Å; M646-I650 PolarHBondContact O-N 3.3Å; M646-I650 VanDerWaalsContact O-N 3.1Å; L647-I650 PolarHBondContact O-N 3.28Å; S648-I650 PolarHBondContact O-N 3.12Å; I650-I653 PolarHBondContact O-N 2.78Å; I650-A654 PolarHBondContact O-N 3.41Å; I650-F728 HydrophobicContact CG2-CE2 4.31Å; I650-F728 HydrophobicContact CG2-CZ 3.78Å; I650-C732 HydrophobicContact CD1-CB 4.42Å; I650-V735 HydrophobicContact CD1-CB 4.35Å; I650-V735 HydrophobicContact CD1-CG1 4.13Å; I650-V735 HydrophobicContact CG1-CB 4.35Å; I650-V735 HydrophobicContact CG1-CG1 4.15Å; I650-V735 HydrophobicContact CG1-CG2 4.48Å; I650-I736 HydrophobicContact CD1-CG2 4.2Å; I650-L782 HydrophobicContact CD1-CD1 4.26Å; I650-L782 HydrophobicContact CD1-CD2 3.89Å; I650-L782 HydrophobicContact CG2-CD1 4.47Å; I650-L807 HydrophobicContact CG2-CD1 3.92Å; I650-L807 HydrophobicContact CG2-CD2 3.83Å
651	R	92.4	Very high	90.3	Very high	73 Å²	73	16.4 Å²	16.4	28%	0.275	8%	0.081	S	C	.	.	H	α-helix	trans	-64.1	-41	178.3	-173.1	-177.2	69.2	-172.6	-1.3	112.2	L647 S648 L649 I653 A654 N655	L647-R651 VanDerWaalsContact O-CB 3.32Å; L647-R651 WeakPolarHBondContact O-CB 3.31Å; L647-R651 PolarHBondContact O-N 3.45Å; S648-R651 PolarHBondContact O-N 3.3Å; L649-R651 VanDerWaalsContact C-N 3.33Å; L649-R651 PolarHBondContact O-N 3.47Å; R651-I653 VanDerWaalsContact C-N 3.34Å; R651-A654 PolarHBondContact O-N 3.21Å; R651-N655 WeakPolarHBondContact O-CB 3.16Å; R651-N655 PolarHBondContact O-N 2.69Å; R651-N655 PolarHBondContact O-ND2 3.08Å
652	D	92.9	Very high	91.2	Very high	17 Å²	17	20.7 Å²	20.7	9%	0.091	11%	0.108	C	C	.	.	H	α-helix	trans	-60.1	-45.5	176.1	-82.9	1.9	0	0	0	111.1	N604 S648 L649 A654 N655 G656 Q683 V684	N604-D652 WeakPolarHBondContact CB-O 3.34Å; N604-D652 WeakPolarHBondContact ND2-CA 3.49Å; N604-D652 WeakPolarHBondContact ND2-CB 3.46Å; N604-D652 PolarHBondContact ND2-OD1 2.91Å; N604-D652 PolarHBondContact ND2-OD2 3.41Å; S648-D652 PolarHBondContact O-N 2.9Å; L649-D652 PolarHBondContact O-N 2.94Å; D652-A654 PolarHBondContact O-N 3.02Å; D652-N655 PolarHBondContact O-N 3.5Å; D652-G656 PolarHBondContact O-N 2.94Å; D652-Q683 WeakPolarHBondContact OD2-CA 3.45Å; D652-V684 HydrophobicContact CB-CB 3.75Å; D652-V684 HydrophobicContact CB-CG2 4.08Å; D652-V684 PolarHBondContact OD2-N 2.52Å; D652-V684 VanDerWaalsContact OD2-N 3.1Å
653	I	95.7	Very high	91.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-46.1	175.4	-59.5	163.9	0	0	0	110.6	L630 L649 I650 R651 N655 G656 L657 C676 V684 I686 F728 I731	L630-I653 HydrophobicContact CD2-CD1 3.8Å; L649-I653 WeakPolarHBondContact O-CG1 3.31Å; L649-I653 PolarHBondContact O-N 3.46Å; L649-I653 VanDerWaalsContact O-N 3.15Å; I650-I653 PolarHBondContact O-N 2.78Å; R651-I653 VanDerWaalsContact C-N 3.34Å; I653-N655 VanDerWaalsContact C-N 3.31Å; I653-N655 PolarHBondContact O-N 2.86Å; I653-G656 PolarHBondContact O-N 3.49Å; I653-L657 WeakPolarHBondContact O-CB 3.32Å; I653-L657 PolarHBondContact O-N 2.86Å; I653-C676 HydrophobicContact CD1-CB 4.4Å; I653-C676 HydrophobicContact CG1-CB 4.49Å; I653-V684 HydrophobicContact CD1-CG1 4.26Å; I653-V684 HydrophobicContact CG1-CB 4.1Å; I653-V684 HydrophobicContact CG1-CG1 3.56Å; I653-V684 HydrophobicContact CG1-CG2 4.4Å; I653-I686 HydrophobicContact CG2-CD1 4.1Å; I653-I686 WeakPolarHBondContact O-CD1 3.48Å; I653-F728 HydrophobicContact CB-CD2 4.38Å; I653-F728 HydrophobicContact CB-CE2 4.06Å; I653-F728 HydrophobicContact CG2-CD2 3.66Å; I653-F728 HydrophobicContact CG2-CE2 3.86Å; I653-I731 HydrophobicContact CD1-CG2 3.88Å
654	A	95.7	Very high	91.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-37.9	179.3	0	0	0	0	0	112.5	I650 R651 D652 G658 F728 I800 V803 R804 L807	I650-A654 PolarHBondContact O-N 3.41Å; R651-A654 PolarHBondContact O-N 3.21Å; D652-A654 PolarHBondContact O-N 3.02Å; A654-G658 PolarHBondContact O-N 2.9Å; A654-F728 HydrophobicContact CB-CE2 3.99Å; A654-F728 HydrophobicContact CB-CZ 3.94Å; A654-I800 HydrophobicContact CB-CD1 4.46Å; A654-V803 HydrophobicContact CB-CG1 4.49Å; A654-R804 HydrophobicContact CB-CG 4.03Å; A654-R804 WeakPolarHBondContact O-CD 3.01Å; A654-L807 HydrophobicContact CB-CD1 3.55Å
655	N	94.7	Very high	92.1	Very high	26 Å²	26	18.9 Å²	18.9	14%	0.139	10%	0.096	C	C	.	.	H	α-helix	trans	-68.1	-45.5	175.7	-77.2	-35.1	0	0	0	112.2	N604 R651 D652 I653 L657 G658 F659 R804	N604-N655 VanDerWaalsContact OD1-CB 3.32Å; N604-N655 WeakPolarHBondContact OD1-CB 3.34Å; R651-N655 WeakPolarHBondContact O-CB 3.16Å; R651-N655 PolarHBondContact O-N 2.69Å; R651-N655 PolarHBondContact O-ND2 3.08Å; D652-N655 PolarHBondContact O-N 3.5Å; I653-N655 VanDerWaalsContact C-N 3.31Å; I653-N655 PolarHBondContact O-N 2.86Å; N655-L657 VanDerWaalsContact C-N 3.34Å; N655-L657 PolarHBondContact O-N 2.83Å; N655-G658 PolarHBondContact O-N 3.12Å; N655-F659 PolarHBondContact O-N 3.07Å; N655-R804 PolarHBondContact OD1-NE 2.84Å; N655-R804 PolarHBondContact OD1-NH2 3.16Å
656	G	94.6	Very high	92.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-44.1	175.6	0	0	0	0	0	111.9	D652 I653 F659 I660	D652-G656 PolarHBondContact O-N 2.94Å; I653-G656 PolarHBondContact O-N 3.49Å; G656-F659 PolarHBondContact O-N 3.38Å; G656-I660 WeakPolarHBondContact O-CG1 3.23Å; G656-I660 PolarHBondContact O-N 3Å
657	L	96.4	Very high	92.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-39.5	177.8	-171.9	60.2	0	0	0	111.8	I653 N655 F659 I660 H661 H668 L671 I686 D724 I725 F728 I800	I653-L657 WeakPolarHBondContact O-CB 3.32Å; I653-L657 PolarHBondContact O-N 2.86Å; N655-L657 VanDerWaalsContact C-N 3.34Å; N655-L657 PolarHBondContact O-N 2.83Å; L657-F659 VanDerWaalsContact C-N 3.31Å; L657-F659 PolarHBondContact O-N 2.98Å; L657-I660 PolarHBondContact O-N 3.37Å; L657-I660 VanDerWaalsContact O-N 3.16Å; L657-H661 PolarHBondContact O-CD2 3.49Å; L657-H661 PolarHBondContact O-N 3.41Å; L657-H668 HydrophobicContact CD1-CB 4.25Å; L657-L671 HydrophobicContact CD1-CD2 4.21Å; L657-L671 HydrophobicContact CD2-CD2 3.91Å; L657-I686 HydrophobicContact CB-CD1 4.17Å; L657-D724 HydrophobicContact CD1-CB 3.94Å; L657-D724 HydrophobicContact CD2-CB 4.15Å; L657-I725 HydrophobicContact CD2-CD1 4.28Å; L657-F728 HydrophobicContact CD2-CB 4.17Å; L657-I800 HydrophobicContact CB-CD1 4.15Å; L657-I800 HydrophobicContact CB-CG1 4.4Å; L657-I800 HydrophobicContact CD2-CD1 3.95Å; L657-I800 HydrophobicContact CG-CD1 4.16Å; L657-I800 HydrophobicContact CG-CG1 4.36Å
658	G	95.7	Very high	92.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-38.9	174.5	0	0	0	0	0	112.9	A654 N655 H661 T662	A654-G658 PolarHBondContact O-N 2.9Å; N655-G658 PolarHBondContact O-N 3.12Å; G658-H661 PolarHBondContact O-N 3.43Å; G658-T662 WeakPolarHBondContact O-CG2 3.2Å; G658-T662 PolarHBondContact O-N 2.88Å; G658-T662 PolarHBondContact O-OG1 3.46Å
659	F	94.6	Very high	92.8	Very high	57 Å²	57	25.5 Å²	25.5	25%	0.25	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-45.2	172.3	-175.7	-88	0	0	0	111.4	L600 H602 L605 N655 G656 L657 H661 T662 S663	L600-F659 HydrophobicContact CD1-CE1 4.39Å; L600-F659 HydrophobicContact CD2-CE1 3.92Å; L600-F659 HydrophobicContact CD2-CZ 4.01Å; H602-F659 HydrophobicContact CB-CD1 4.23Å; H602-F659 HydrophobicContact CB-CD2 4.34Å; H602-F659 HydrophobicContact CB-CE1 4.31Å; H602-F659 HydrophobicContact CB-CE2 4.43Å; H602-F659 HydrophobicContact CB-CG 4.21Å; H602-F659 HydrophobicContact CB-CZ 4.4Å; H602-F659 AromaticContact CD2-CD2 3.38Å; H602-F659 WeakPolarHBondContact CD2-CD2 3.41Å; H602-F659 AromaticContact CD2-CG 3.65Å; H602-F659 AromaticContact CG-CD2 3.99Å; H602-F659 AromaticContact CG-CG 3.87Å; L605-F659 HydrophobicContact CD1-CD1 3.42Å; L605-F659 VanDerWaalsContact CD1-CD1 3.42Å; L605-F659 HydrophobicContact CD1-CE1 3.77Å; L605-F659 HydrophobicContact CD1-CG 4.42Å; L605-F659 HydrophobicContact CG-CD1 4.34Å; N655-F659 PolarHBondContact O-N 3.07Å; G656-F659 PolarHBondContact O-N 3.38Å; L657-F659 VanDerWaalsContact C-N 3.31Å; L657-F659 PolarHBondContact O-N 2.98Å; F659-H661 VanDerWaalsContact C-N 3.35Å; F659-H661 PolarHBondContact O-N 3.37Å; F659-T662 PolarHBondContact O-N 3Å; F659-T662 PolarHBondContact O-OG1 2.92Å; F659-T662 VanDerWaalsContact O-OG1 3.11Å; F659-S663 WeakPolarHBondContact O-CB 3.22Å; F659-S663 PolarHBondContact O-N 3.33Å; F659-S663 PolarHBondContact O-OG 3Å
660	I	93.8	Very high	92.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-48	176.6	-68.1	170.1	0	0	0	110.9	L605 G656 L657 T662 S663 L665 F667 H668 I686 F689	L605-I660 HydrophobicContact CD1-CG1 4.17Å; L605-I660 HydrophobicContact CD2-CD1 3.7Å; L605-I660 HydrophobicContact CD2-CG1 3.81Å; G656-I660 WeakPolarHBondContact O-CG1 3.23Å; G656-I660 PolarHBondContact O-N 3Å; L657-I660 PolarHBondContact O-N 3.37Å; L657-I660 VanDerWaalsContact O-N 3.16Å; I660-T662 VanDerWaalsContact C-N 3.26Å; I660-T662 PolarHBondContact O-N 2.82Å; I660-S663 PolarHBondContact O-N 3.4Å; I660-S663 PolarHBondContact O-OG 2.94Å; I660-L665 HydrophobicContact CG1-CD1 4.36Å; I660-L665 HydrophobicContact CG2-CB 4.08Å; I660-L665 HydrophobicContact CG2-CD1 4.35Å; I660-F667 VanDerWaalsContact CG2-C 3.48Å; I660-H668 HydrophobicContact CD1-CB 4.24Å; I660-H668 HydrophobicContact CG2-CB 4.38Å; I660-I686 HydrophobicContact CD1-CG2 4.15Å; I660-F689 HydrophobicContact CD1-CB 4Å; I660-F689 HydrophobicContact CD1-CD1 4.22Å; I660-F689 HydrophobicContact CD1-CG 4.2Å
661	H	94.8	Very high	92.7	Very high	8 Å²	8	26 Å²	26	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-27.9	-177.1	-75.7	-164.7	0	0	0	114.2	L657 G658 F659 H666 K721 D724 I800	L657-H661 PolarHBondContact O-CD2 3.49Å; L657-H661 PolarHBondContact O-N 3.41Å; G658-H661 PolarHBondContact O-N 3.43Å; F659-H661 VanDerWaalsContact C-N 3.35Å; F659-H661 PolarHBondContact O-N 3.37Å; H661-H666 WeakPolarHBondContact CA-O 3.35Å; H661-K721 HydrophobicContact CB-CD 4.34Å; H661-K721 PolarHBondContact CE1-O 3.23Å; H661-K721 WeakPolarHBondContact O-CE 3.13Å; H661-K721 PolarHBondContact O-NZ 3.07Å; H661-D724 IonicContact CD2-OD2 3.48Å; H661-D724 IonicContact NE2-OD2 3.57Å; H661-D724 PolarHBondContact NE2-OD2 3.06Å; H661-I800 HydrophobicContact CB-CG2 3.93Å; H661-I800 WeakPolarHBondContact ND1-CG2 3.46Å
662	T	92.8	Very high	92.8	Very high	97 Å²	97	23 Å²	23	60%	0.595	12%	0.12	S	C	*	.	H	α-helix	trans	-95.4	-19.4	178.6	52.8	0	0	0	0	113	G658 F659 I660	G658-T662 WeakPolarHBondContact O-CG2 3.2Å; G658-T662 PolarHBondContact O-N 2.88Å; G658-T662 PolarHBondContact O-OG1 3.46Å; F659-T662 PolarHBondContact O-N 3Å; F659-T662 PolarHBondContact O-OG1 2.92Å; F659-T662 VanDerWaalsContact O-OG1 3.11Å; I660-T662 VanDerWaalsContact C-N 3.26Å; I660-T662 PolarHBondContact O-N 2.82Å
663	S	89.9	Confident	92.8	Very high	18 Å²	18	22.1 Å²	22.1	13%	0.126	12%	0.115	C	C	.	.	S	Bend	trans	-76.6	176.7	176.8	77.5	0	0	0	0	112.8	F659 I660 L665 H666	F659-S663 WeakPolarHBondContact O-CB 3.22Å; F659-S663 PolarHBondContact O-N 3.33Å; F659-S663 PolarHBondContact O-OG 3Å; I660-S663 PolarHBondContact O-N 3.4Å; I660-S663 PolarHBondContact O-OG 2.94Å; S663-L665 PolarHBondContact O-N 3.09Å; S663-L665 VanDerWaalsContact O-N 3.11Å; S663-L665 WeakPolarHBondContact OG-CB 3.39Å; S663-L665 PolarHBondContact OG-N 3.28Å; S663-H666 PolarHBondContact O-N 2.95Å
664	M	88.2	Confident	92.5	Very high	54 Å²	54	26.2 Å²	26.2	27%	0.266	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.6	174.2	66	88.7	-178.4	0	0	114.4	E593 Q596 M597 L600 H666	E593-M664 HydrophobicContact CG-SD 4.49Å; E593-M664 WeakPolarHBondContact O-CE 3.34Å; Q596-M664 HydrophobicContact CB-CE 3.84Å; M597-M664 HydrophobicContact CB-CE 3.92Å; L600-M664 HydrophobicContact CD1-CE 4.19Å; M664-H666 VanDerWaalsContact C-N 3.33Å; M664-H666 PolarHBondContact O-CD2 3.05Å
665	L	87.9	Confident	92.3	Very high	16 Å²	16	26.3 Å²	26.3	8%	0.084	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.8	179.8	-60.6	174.5	0	0	0	113.2	M597 L600 I660 S663 F667 F689	M597-L665 HydrophobicContact SD-CD2 4.42Å; L600-L665 HydrophobicContact CD1-CD1 3.79Å; L600-L665 HydrophobicContact CD1-CG 4.21Å; I660-L665 HydrophobicContact CG1-CD1 4.36Å; I660-L665 HydrophobicContact CG2-CB 4.08Å; I660-L665 HydrophobicContact CG2-CD1 4.35Å; S663-L665 PolarHBondContact O-N 3.09Å; S663-L665 VanDerWaalsContact O-N 3.11Å; S663-L665 WeakPolarHBondContact OG-CB 3.39Å; S663-L665 PolarHBondContact OG-N 3.28Å; L665-F667 PolarHBondContact O-N 2.75Å; L665-F689 HydrophobicContact CD1-CB 4.41Å; L665-F689 HydrophobicContact CD1-CD2 3.35Å; L665-F689 HydrophobicContact CD1-CE2 3.89Å; L665-F689 HydrophobicContact CD1-CG 4.16Å
666	H	89.6	Confident	92.3	Very high	113 Å²	113	25 Å²	25	52%	0.523	13%	0.125	S	C	.	.			trans	61.6	-42.3	-174.8	-57.7	-60.7	0	0	0	116.8	H661 S663 M664 K721	H661-H666 WeakPolarHBondContact CA-O 3.35Å; S663-H666 PolarHBondContact O-N 2.95Å; M664-H666 VanDerWaalsContact C-N 3.33Å; M664-H666 PolarHBondContact O-CD2 3.05Å; H666-K721 WeakPolarHBondContact O-CE 3.4Å; H666-K721 VanDerWaalsContact O-CG 3.23Å; H666-K721 WeakPolarHBondContact O-CG 3.35Å
667	F	92.6	Very high	92.2	Very high	48 Å²	48	26 Å²	26	21%	0.211	13%	0.13	C	C	.	.			trans	-153.5	162.3	178	58.4	-95.2	0	0	0	110.9	I660 L665 N692 R719 K721 D724	I660-F667 VanDerWaalsContact CG2-C 3.48Å; L665-F667 PolarHBondContact O-N 2.75Å; F667-N692 WeakPolarHBondContact CE2-ND2 3.5Å; F667-R719 HydrophobicContact CD2-CB 4.28Å; F667-R719 HydrophobicContact CE2-CB 3.87Å; F667-R719 HydrophobicContact CZ-CB 4.48Å; F667-K721 HydrophobicContact CB-CG 4.3Å; F667-D724 WeakPolarHBondContact CB-OD2 3.28Å
668	H	93.1	Very high	91.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.			trans	-86.3	-42.7	175.9	-177.3	-72.9	0	0	0	111.5	L657 I660 Y670 L671 I686 S687 D724	L657-H668 HydrophobicContact CD1-CB 4.25Å; I660-H668 HydrophobicContact CD1-CB 4.24Å; I660-H668 HydrophobicContact CG2-CB 4.38Å; H668-Y670 VanDerWaalsContact CE1-C 3.41Å; H668-Y670 PolarHBondContact CE1-O 3.41Å; H668-Y670 VanDerWaalsContact ND1-C 3.26Å; H668-Y670 PolarHBondContact ND1-N 2.77Å; H668-Y670 PolarHBondContact O-N 3.3Å; H668-L671 HydrophobicContact CB-CB 4.49Å; H668-L671 PolarHBondContact CE1-N 3.17Å; H668-L671 WeakPolarHBondContact ND1-CA 3.39Å; H668-L671 PolarHBondContact ND1-N 3.17Å; H668-I686 WeakPolarHBondContact CD2-CG2 3.43Å; H668-S687 PolarHBondContact NE2-O 2.89Å; H668-D724 PolarHBondContact N-OD2 3.02Å
669	G	89.1	Confident	91.4	Very high	8 Å²	8	26.7 Å²	26.7	8%	0.082	13%	0.133	C	C	.	.	S	Bend	trans	80.9	-28.7	173.3	0	0	0	0	0	115	R719 D724	G669-R719 PolarHBondContact O-NH1 2.93Å; G669-D724 WeakPolarHBondContact CA-OD1 3.28Å; G669-D724 PolarHBondContact N-OD1 2.9Å
670	Y	89.8	Confident	90.8	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.039	15%	0.146	C	C	.	.	S	Bend	trans	-133.2	36.5	-176.9	-60	-102.2	0	0	0	113.7	H668 R695 G696 L700 W708 R719	H668-Y670 VanDerWaalsContact CE1-C 3.41Å; H668-Y670 PolarHBondContact CE1-O 3.41Å; H668-Y670 VanDerWaalsContact ND1-C 3.26Å; H668-Y670 PolarHBondContact ND1-N 2.77Å; H668-Y670 PolarHBondContact O-N 3.3Å; Y670-R695 HydrophobicContact CD2-CB 4.43Å; Y670-R695 HydrophobicContact CE1-CB 4.31Å; Y670-R695 HydrophobicContact CE2-CB 3.8Å; Y670-R695 VanDerWaalsContact CG-NH2 3.35Å; Y670-R695 PolarHBondContact OH-O 3.15Å; Y670-G696 VanDerWaalsContact OH-CA 3.28Å; Y670-G696 WeakPolarHBondContact OH-CA 3.39Å; Y670-G696 PolarHBondContact OH-N 3.47Å; Y670-L700 HydrophobicContact CD1-CD2 4.38Å; Y670-L700 HydrophobicContact CE1-CD1 4.04Å; Y670-W708 HydrophobicContact CD1-CZ2 4.06Å; Y670-W708 HydrophobicContact CE1-CZ2 4.1Å; Y670-R719 VanDerWaalsContact CZ-NH2 3.28Å; Y670-R719 PolarHBondContact OH-NE 3.38Å; Y670-R719 PolarHBondContact OH-NH2 2.87Å
671	L	93.4	Very high	90.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.			trans	-66.5	135.6	-174.8	-173	69.5	0	0	0	110.2	L657 H668 I686 W707 S727 F728 I731	L657-L671 HydrophobicContact CD1-CD2 4.21Å; L657-L671 HydrophobicContact CD2-CD2 3.91Å; H668-L671 HydrophobicContact CB-CB 4.49Å; H668-L671 PolarHBondContact CE1-N 3.17Å; H668-L671 WeakPolarHBondContact ND1-CA 3.39Å; H668-L671 PolarHBondContact ND1-N 3.17Å; L671-I686 HydrophobicContact CD1-CD1 4.2Å; L671-I686 HydrophobicContact CD1-CG1 4.49Å; L671-I686 HydrophobicContact CD1-CG2 3.75Å; L671-W707 WeakPolarHBondContact O-CB 3.48Å; L671-S727 WeakPolarHBondContact O-CB 3.49Å; L671-F728 HydrophobicContact CD2-CB 4.24Å; L671-I731 HydrophobicContact CD1-CD1 4.46Å; L671-I731 HydrophobicContact CD2-CD1 4.12Å; L671-I731 HydrophobicContact CG-CD1 3.75Å
672	S	93.5	Very high	89.8	Confident	9 Å²	9	35.7 Å²	35.7	6%	0.063	17%	0.173	C	C	.	.			trans	-154.4	165	177.3	61.2	0	0	0	0	110.6	R674 S675 C676	S672-R674 PolarHBondContact O-N 3.3Å; S672-R674 VanDerWaalsContact O-N 3.14Å; S672-S675 PolarHBondContact N-OG 2.92Å; S672-S675 PolarHBondContact O-N 2.92Å; S672-S675 PolarHBondContact O-OG 2.87Å; S672-S675 PolarHBondContact OG-N 2.81Å; S672-S675 PolarHBondContact OG-OG 3.16Å; S672-C676 PolarHBondContact O-N 3.09Å
673	S	92.6	Very high	89.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.8	174.7	55.4	0	0	0	0	112.1	L630 W707 E734	L630-S673 WeakPolarHBondContact CB-O 3.46Å; L630-S673 PolarHBondContact N-O 2.94Å; S673-W707 VanDerWaalsContact OG-CZ2 3.26Å; S673-W707 WeakPolarHBondContact OG-CZ2 3.29Å; S673-E734 WeakPolarHBondContact CB-OE1 3.34Å; S673-E734 WeakPolarHBondContact CB-OE2 3.33Å; S673-E734 PolarHBondContact OG-OE1 3.31Å; S673-E734 PolarHBondContact OG-OE2 2.94Å
674	R	90.1	Very high	89.8	Confident	85 Å²	85	32.5 Å²	32.5	32%	0.321	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-26.2	174.5	-64.3	176.9	177.4	141.6	-1.3	113.9	A631 S672 E703 N704	A631-R674 HydrophobicContact CB-CG 4.07Å; S672-R674 PolarHBondContact O-N 3.3Å; S672-R674 VanDerWaalsContact O-N 3.14Å; R674-E703 IonicContact NH2-OE2 3.7Å; R674-N704 PolarHBondContact NH1-OD1 3.39Å
675	S	91.1	Very high	90	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-13.2	175.4	56.6	0	0	0	0	112.9	S672 L677 S687	S672-S675 PolarHBondContact N-OG 2.92Å; S672-S675 PolarHBondContact O-N 2.92Å; S672-S675 PolarHBondContact O-OG 2.87Å; S672-S675 PolarHBondContact OG-N 2.81Å; S672-S675 PolarHBondContact OG-OG 3.16Å; S675-L677 PolarHBondContact O-N 2.87Å; S675-S687 PolarHBondContact O-N 3.43Å; S675-S687 PolarHBondContact O-OG 2.81Å
676	C	94.1	Very high	90.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	98.6	173.3	-66.2	0	0	0	0	109.7	S629 L630 I653 S672 V684	S629-C676 CarbonylContact C-O 3.59Å; S629-C676 WeakPolarHBondContact CA-O 3.33Å; L630-C676 HydrophobicContact CB-CB 4.07Å; L630-C676 HydrophobicContact CD2-CB 4.33Å; L630-C676 PolarHBondContact N-O 3.22Å; I653-C676 HydrophobicContact CD1-CB 4.4Å; I653-C676 HydrophobicContact CG1-CB 4.49Å; S672-C676 PolarHBondContact O-N 3.09Å; C676-V684 HydrophobicContact CB-CG1 3.73Å
677	L	92.2	Very high	90.5	Very high	20 Å²	20	25.2 Å²	25.2	11%	0.105	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	153.4	-177.8	-57.1	-179.6	0	0	0	111.5	N606 C625 G628 S675 V684 K685	N606-L677 WeakPolarHBondContact ND2-CD1 3.46Å; C625-L677 HydrophobicContact CB-CB 3.64Å; C625-L677 HydrophobicContact CB-CD1 4.26Å; G628-L677 WeakPolarHBondContact O-CA 3.31Å; S675-L677 PolarHBondContact O-N 2.87Å; L677-V684 CarbonylContact O-C 3.57Å; L677-V684 WeakPolarHBondContact O-CA 3.44Å; L677-K685 PolarHBondContact N-O 3.31Å; L677-K685 PolarHBondContact O-N 3.42Å
678	I	89.8	Confident	90.2	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.7	-179.1	-60.7	174.3	0	0	0	109.6	C625 R627 G628 L630 V633 L649 W682 V684	C625-I678 CarbonylContact C-O 3.52Å; C625-I678 WeakPolarHBondContact CB-O 3.24Å; R627-I678 HydrophobicContact CB-CB 3.86Å; R627-I678 HydrophobicContact CB-CG2 3.77Å; R627-I678 WeakPolarHBondContact CB-O 3.12Å; R627-I678 HydrophobicContact CG-CG2 3.95Å; R627-I678 PolarHBondContact N-O 3.1Å; R627-I678 VanDerWaalsContact N-O 3.12Å; G628-I678 PolarHBondContact O-N 3.49Å; L630-I678 HydrophobicContact CD1-CD1 4.05Å; V633-I678 HydrophobicContact CB-CD1 4.28Å; V633-I678 HydrophobicContact CG2-CD1 3.74Å; L649-I678 HydrophobicContact CD2-CD1 4.29Å; I678-W682 HydrophobicContact CG2-CD2 4.43Å; I678-W682 HydrophobicContact CG2-CE3 3.69Å; I678-W682 HydrophobicContact CG2-CZ3 4.27Å; I678-V684 HydrophobicContact CG1-CG2 4.27Å
679	D	86.7	Confident	90.1	Very high	15 Å²	15	23.2 Å²	23.2	8%	0.08	11%	0.105	C	C	.	.			trans	-81.2	-177.7	179	73.5	4.4	0	0	0	112.8	R627 R681 W682 Q683 K685	R627-D679 WeakPolarHBondContact CG-O 3.28Å; D679-R681 PolarHBondContact O-N 3.36Å; D679-R681 VanDerWaalsContact OD1-CA 3.31Å; D679-R681 WeakPolarHBondContact OD1-CA 3.47Å; D679-R681 WeakPolarHBondContact OD1-CB 3.1Å; D679-R681 PolarHBondContact OD1-N 3.12Å; D679-W682 PolarHBondContact O-N 3.48Å; D679-W682 PolarHBondContact OD1-N 3.44Å; D679-Q683 PolarHBondContact N-O 3.06Å; D679-Q683 PolarHBondContact OD1-N 3.24Å; D679-K685 HydrophobicContact CB-CD 4.46Å; D679-K685 WeakPolarHBondContact OD2-CE 3.17Å; D679-K685 IonicContact OD2-NZ 3.54Å
680	D	82	Confident	89.9	Confident	95 Å²	95	23.8 Å²	23.8	51%	0.508	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.2	177.6	57	-30.5	0	0	0	113.4	S626	S626-D680 PolarHBondContact OG-N 3.02Å
681	R	83.1	Confident	89.5	Confident	143 Å²	143	23.6 Å²	23.6	54%	0.54	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	8	-179.1	-53.5	-165.6	171.2	-178.3	-5	114.6	D679 Q683 M819	D679-R681 PolarHBondContact O-N 3.36Å; D679-R681 VanDerWaalsContact OD1-CA 3.31Å; D679-R681 WeakPolarHBondContact OD1-CA 3.47Å; D679-R681 WeakPolarHBondContact OD1-CB 3.1Å; D679-R681 PolarHBondContact OD1-N 3.12Å; R681-Q683 HydrophobicContact CB-CG 4.34Å; R681-Q683 PolarHBondContact O-N 3.46Å; R681-M819 VanDerWaalsContact CA-CE 3.43Å; R681-M819 HydrophobicContact CB-CE 3.5Å; R681-M819 VanDerWaalsContact CB-CE 3.5Å; R681-M819 HydrophobicContact CG-CE 3.54Å
682	W	83.6	Confident	88.9	Confident	16 Å²	16	25.8 Å²	25.8	6%	0.061	12%	0.123	C	C	.	.	S	Bend	trans	63.2	19.4	-174.7	-70	105.4	0	0	0	114.7	L551 V633 M639 F645 I678 D679 L818	L551-W682 HydrophobicContact CD2-CH2 3.99Å; L551-W682 HydrophobicContact CD2-CZ2 3.48Å; L551-W682 VanDerWaalsContact CD2-CZ2 3.48Å; V633-W682 HydrophobicContact CG1-CH2 4.5Å; V633-W682 HydrophobicContact CG1-CZ3 4.13Å; V633-W682 HydrophobicContact CG2-CZ3 4.31Å; M639-W682 HydrophobicContact CE-CH2 3.53Å; M639-W682 HydrophobicContact CE-CZ2 4.16Å; M639-W682 HydrophobicContact CE-CZ3 3.73Å; M639-W682 HydrophobicContact SD-CH2 3.27Å; M639-W682 WeakPolarHBondContact SD-CH2 3.37Å; M639-W682 HydrophobicContact SD-CZ2 3.48Å; M639-W682 WeakPolarHBondContact SD-CZ2 3.45Å; M639-W682 HydrophobicContact SD-CZ3 4.1Å; F645-W682 HydrophobicContact CE1-CE3 4.38Å; F645-W682 HydrophobicContact CE1-CZ3 4.35Å; F645-W682 HydrophobicContact CE2-CD2 4.15Å; F645-W682 HydrophobicContact CE2-CE3 4.16Å; F645-W682 HydrophobicContact CE2-CG 4.4Å; F645-W682 AromaticContact CZ-CD2 3.86Å; F645-W682 HydrophobicContact CZ-CD2 3.86Å; F645-W682 AromaticContact CZ-CE3 3.41Å; F645-W682 HydrophobicContact CZ-CE3 3.41Å; F645-W682 VanDerWaalsContact CZ-CE3 3.41Å; F645-W682 HydrophobicContact CZ-CG 4.46Å; F645-W682 HydrophobicContact CZ-CH2 4.36Å; F645-W682 AromaticContact CZ-CZ3 3.66Å; F645-W682 HydrophobicContact CZ-CZ3 3.66Å; I678-W682 HydrophobicContact CG2-CD2 4.43Å; I678-W682 HydrophobicContact CG2-CE3 3.69Å; I678-W682 HydrophobicContact CG2-CZ3 4.27Å; D679-W682 PolarHBondContact O-N 3.48Å; D679-W682 PolarHBondContact OD1-N 3.44Å; W682-L818 HydrophobicContact CB-CD2 3.93Å; W682-L818 HydrophobicContact CB-CG 4.34Å; W682-L818 WeakPolarHBondContact O-CD2 3.34Å
683	Q	89.2	Confident	88.1	Confident	47 Å²	47	31.4 Å²	31.4	22%	0.22	15%	0.148	C	C	.	.			trans	-88	136.5	174.2	-65	-172.8	-47.5	0	0	110.3	D652 D679 R681	D652-Q683 WeakPolarHBondContact OD2-CA 3.45Å; D679-Q683 PolarHBondContact N-O 3.06Å; D679-Q683 PolarHBondContact OD1-N 3.24Å; R681-Q683 HydrophobicContact CB-CG 4.34Å; R681-Q683 PolarHBondContact O-N 3.46Å
684	V	93.1	Very high	87.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.8	175.2	-171.3	0	0	0	0	110	N604 L649 D652 I653 C676 L677 I678	N604-V684 WeakPolarHBondContact CA-O 3.44Å; N604-V684 WeakPolarHBondContact CB-O 3.29Å; N604-V684 PolarHBondContact ND2-O 3.3Å; L649-V684 HydrophobicContact CB-CG2 3.95Å; L649-V684 HydrophobicContact CD2-CG2 3.45Å; L649-V684 VanDerWaalsContact CD2-CG2 3.45Å; L649-V684 HydrophobicContact CG-CG2 4.27Å; D652-V684 HydrophobicContact CB-CB 3.75Å; D652-V684 HydrophobicContact CB-CG2 4.08Å; D652-V684 PolarHBondContact OD2-N 2.52Å; D652-V684 VanDerWaalsContact OD2-N 3.1Å; I653-V684 HydrophobicContact CD1-CG1 4.26Å; I653-V684 HydrophobicContact CG1-CB 4.1Å; I653-V684 HydrophobicContact CG1-CG1 3.56Å; I653-V684 HydrophobicContact CG1-CG2 4.4Å; C676-V684 HydrophobicContact CB-CG1 3.73Å; L677-V684 CarbonylContact O-C 3.57Å; L677-V684 WeakPolarHBondContact O-CA 3.44Å; I678-V684 HydrophobicContact CG1-CG2 4.27Å
685	K	93.9	Very high	87.1	Confident	28 Å²	28	28 Å²	28	12%	0.122	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	111.2	177.8	-67.4	-171.4	-173.1	-69.9	0	110.4	D603 N604 N606 L677 D679 S687	D603-K685 PolarHBondContact O-NZ 2.87Å; N604-K685 WeakPolarHBondContact O-CA 3.21Å; N606-K685 HydrophobicContact CB-CB 4Å; L677-K685 PolarHBondContact N-O 3.31Å; L677-K685 PolarHBondContact O-N 3.42Å; D679-K685 HydrophobicContact CB-CD 4.46Å; D679-K685 WeakPolarHBondContact OD2-CE 3.17Å; D679-K685 IonicContact OD2-NZ 3.54Å; K685-S687 PolarHBondContact O-N 3.21Å
686	I	95.1	Very high	86.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.2	175.6	-56	178.5	0	0	0	108.8	N604 L605 N606 I653 L657 I660 H668 L671 F689	N604-I686 PolarHBondContact O-N 3.39Å; L605-I686 HydrophobicContact CD2-CB 3.92Å; N606-I686 PolarHBondContact N-O 3.48Å; I653-I686 HydrophobicContact CG2-CD1 4.1Å; I653-I686 WeakPolarHBondContact O-CD1 3.48Å; L657-I686 HydrophobicContact CB-CD1 4.17Å; I660-I686 HydrophobicContact CD1-CG2 4.15Å; H668-I686 WeakPolarHBondContact CD2-CG2 3.43Å; L671-I686 HydrophobicContact CD1-CD1 4.2Å; L671-I686 HydrophobicContact CD1-CG1 4.49Å; L671-I686 HydrophobicContact CD1-CG2 3.75Å; I686-F689 WeakPolarHBondContact O-CD1 3.1Å; I686-F689 WeakPolarHBondContact O-CE1 3.45Å
687	S	91.8	Very high	85.4	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.014	19%	0.185	C	C	.	.			trans	-112.1	175.8	177.6	64.9	0	0	0	0	111.1	H668 S675 K685 F689	H668-S687 PolarHBondContact NE2-O 2.89Å; S675-S687 PolarHBondContact O-N 3.43Å; S675-S687 PolarHBondContact O-OG 2.81Å; K685-S687 PolarHBondContact O-N 3.21Å; S687-F689 VanDerWaalsContact C-N 3.28Å; S687-F689 PolarHBondContact O-N 2.95Å
688	D	87.3	Confident	84.7	Confident	3 Å²	3	36 Å²	36	2%	0.016	19%	0.188	C	C	.	.	S	Bend	trans	70.8	18.1	168.4	-118.7	11.8	0	0	0	115.1	R561 N578 W622 R695	R561-D688 IonicContact CZ-OD2 3.69Å; R561-D688 IonicContact NH2-OD2 3.72Å; R561-D688 PolarHBondContact NH2-OD2 3.27Å; N578-D688 VanDerWaalsContact ND2-CG 3.27Å; N578-D688 PolarHBondContact ND2-OD1 3.2Å; N578-D688 PolarHBondContact ND2-OD2 3.28Å; W622-D688 VanDerWaalsContact CH2-N 3.26Å; W622-D688 VanDerWaalsContact CZ2-CA 3.5Å; D688-R695 PolarHBondContact O-NH1 3.31Å; D688-R695 IonicContact OD2-CZ 3.59Å; D688-R695 IonicContact OD2-NH1 3.54Å; D688-R695 IonicContact OD2-NH2 2.77Å
689	F	90.8	Very high	83.9	Confident	3 Å²	3	45 Å²	45	1%	0.013	23%	0.227	C	C	.	.			trans	-85.8	161.6	175.1	57.2	-100.1	0	0	0	113.1	M597 L600 L605 W622 I660 L665 I686 S687 L691	M597-F689 HydrophobicContact CG-CD2 4.24Å; M597-F689 HydrophobicContact CG-CE2 3.8Å; M597-F689 HydrophobicContact SD-CD2 4.11Å; M597-F689 HydrophobicContact SD-CE2 4.21Å; L600-F689 HydrophobicContact CD1-CE2 4.33Å; L605-F689 HydrophobicContact CB-CE1 3.92Å; L605-F689 HydrophobicContact CB-CZ 4.12Å; L605-F689 HydrophobicContact CD1-CE1 4.15Å; L605-F689 HydrophobicContact CD1-CE2 4.49Å; L605-F689 HydrophobicContact CD1-CZ 3.98Å; L605-F689 HydrophobicContact CD2-CD1 4.25Å; L605-F689 HydrophobicContact CD2-CE1 3.99Å; L605-F689 HydrophobicContact CG-CE1 4.25Å; L605-F689 HydrophobicContact CG-CZ 4.48Å; W622-F689 HydrophobicContact CH2-CD1 4.33Å; W622-F689 HydrophobicContact CH2-CD2 4.45Å; W622-F689 HydrophobicContact CH2-CE1 4.35Å; W622-F689 HydrophobicContact CH2-CE2 4.5Å; W622-F689 HydrophobicContact CH2-CG 4.38Å; W622-F689 HydrophobicContact CH2-CZ 4.45Å; W622-F689 HydrophobicContact CZ3-CD1 4.17Å; W622-F689 AromaticContact CZ3-CE1 3.8Å; W622-F689 HydrophobicContact CZ3-CE1 3.8Å; W622-F689 HydrophobicContact CZ3-CE2 4.4Å; W622-F689 AromaticContact CZ3-CZ 3.93Å; W622-F689 HydrophobicContact CZ3-CZ 3.93Å; I660-F689 HydrophobicContact CD1-CB 4Å; I660-F689 HydrophobicContact CD1-CD1 4.22Å; I660-F689 HydrophobicContact CD1-CG 4.2Å; L665-F689 HydrophobicContact CD1-CB 4.41Å; L665-F689 HydrophobicContact CD1-CD2 3.35Å; L665-F689 HydrophobicContact CD1-CE2 3.89Å; L665-F689 HydrophobicContact CD1-CG 4.16Å; I686-F689 WeakPolarHBondContact O-CD1 3.1Å; I686-F689 WeakPolarHBondContact O-CE1 3.45Å; S687-F689 VanDerWaalsContact C-N 3.28Å; S687-F689 PolarHBondContact O-N 2.95Å; F689-L691 PolarHBondContact O-N 3.37Å; F689-L691 VanDerWaalsContact O-N 3.1Å
690	G	84.5	Confident	83.2	Confident	21 Å²	21	46.2 Å²	46.2	22%	0.216	23%	0.234	C	C	.	.	S	Bend	trans	72.9	-4.7	168.5	0	0	0	0	0	117.4	N692	G690-N692 PolarHBondContact O-N 3.1Å
691	L	82.6	Confident	83.1	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	23%	0.229	C	C	.	.			trans	-98	43.7	178.3	-63.2	178.3	0	0	0	112.1	L594 M597 F608 L611 S620 W622 F689 E693 V694 R695	L594-L691 HydrophobicContact CD2-CD2 3.9Å; M597-L691 HydrophobicContact CE-CD2 3.8Å; M597-L691 HydrophobicContact CE-CG 3.98Å; F608-L691 HydrophobicContact CE2-CD1 4.21Å; F608-L691 HydrophobicContact CE2-CD2 4.49Å; F608-L691 HydrophobicContact CZ-CD2 4.46Å; L611-L691 HydrophobicContact CD2-CD1 4.34Å; L611-L691 HydrophobicContact CD2-CD2 4.19Å; S620-L691 VanDerWaalsContact CB-CD1 3.47Å; W622-L691 HydrophobicContact CZ2-CD1 3.9Å; F689-L691 PolarHBondContact O-N 3.37Å; F689-L691 VanDerWaalsContact O-N 3.1Å; L691-E693 PolarHBondContact O-N 3.04Å; L691-V694 HydrophobicContact CB-CB 4.25Å; L691-V694 PolarHBondContact O-N 3.43Å; L691-R695 HydrophobicContact CB-CG 4.16Å; L691-R695 WeakPolarHBondContact O-CB 3.42Å; L691-R695 VanDerWaalsContact O-CG 3.29Å; L691-R695 WeakPolarHBondContact O-CG 3.44Å; L691-R695 PolarHBondContact O-N 3.39Å
692	N	79.9	Confident	83.1	Confident	46 Å²	46	39.6 Å²	39.6	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-57.8	-45.7	-171	-71.7	-25.7	0	0	0	113	F667 G690 R695 G696	F667-N692 WeakPolarHBondContact CE2-ND2 3.5Å; G690-N692 PolarHBondContact O-N 3.1Å; N692-R695 PolarHBondContact O-N 2.89Å; N692-G696 PolarHBondContact O-N 3.16Å
693	E	77.5	Confident	83.2	Confident	126 Å²	126	43.1 Å²	43.1	59%	0.589	23%	0.232	S	C	*	.	H	α-helix	trans	-67.6	-37.7	179.4	-65.5	-57.2	139.8	0	0	112.9	L691	L691-E693 PolarHBondContact O-N 3.04Å
694	V	81.3	Confident	82.9	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-67.9	-46.4	176.3	177.7	0	0	0	0	110.1	H580 P584 L618 L691	H580-V694 HydrophobicContact CB-CG1 3.78Å; H580-V694 VanDerWaalsContact CG-CG1 3.43Å; P584-V694 HydrophobicContact CG-CG2 3.81Å; L618-V694 HydrophobicContact CD2-CB 4.46Å; L618-V694 HydrophobicContact CD2-CG1 3.56Å; L618-V694 HydrophobicContact CD2-CG2 4.06Å; L691-V694 HydrophobicContact CB-CB 4.25Å; L691-V694 PolarHBondContact O-N 3.43Å
695	R	79.1	Confident	82.8	Confident	7 Å²	7	44.6 Å²	44.6	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-79.2	-24.9	-173.7	-67.6	-170.7	67	-175.7	-1.4	114.1	R561 Y670 D688 L691 N692 M697 D698	R561-R695 VanDerWaalsContact NH2-NH2 3.16Å; Y670-R695 HydrophobicContact CD2-CB 4.43Å; Y670-R695 HydrophobicContact CE1-CB 4.31Å; Y670-R695 HydrophobicContact CE2-CB 3.8Å; Y670-R695 VanDerWaalsContact CG-NH2 3.35Å; Y670-R695 PolarHBondContact OH-O 3.15Å; D688-R695 PolarHBondContact O-NH1 3.31Å; D688-R695 IonicContact OD2-CZ 3.59Å; D688-R695 IonicContact OD2-NH1 3.54Å; D688-R695 IonicContact OD2-NH2 2.77Å; L691-R695 HydrophobicContact CB-CG 4.16Å; L691-R695 WeakPolarHBondContact O-CB 3.42Å; L691-R695 VanDerWaalsContact O-CG 3.29Å; L691-R695 WeakPolarHBondContact O-CG 3.44Å; L691-R695 PolarHBondContact O-N 3.39Å; N692-R695 PolarHBondContact O-N 2.89Å; R695-M697 PolarHBondContact O-N 3.46Å; R695-D698 PolarHBondContact O-N 2.85Å; R695-D698 VanDerWaalsContact O-N 3.15Å
696	G	74.6	Confident	82.7	Confident	51 Å²	51	43.3 Å²	43.3	53%	0.526	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.4	177.9	0	0	0	0	0	113.6	Y670 N692	Y670-G696 VanDerWaalsContact OH-CA 3.28Å; Y670-G696 WeakPolarHBondContact OH-CA 3.39Å; Y670-G696 PolarHBondContact OH-N 3.47Å; N692-G696 PolarHBondContact O-N 3.16Å
697	M	75.4	Confident	82.6	Confident	110 Å²	110	43.7 Å²	43.7	54%	0.542	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-5.2	-176.1	-61.7	-71.9	-85.5	0	0	113.6	F582 R695	F582-M697 HydrophobicContact CB-CB 3.46Å; F582-M697 VanDerWaalsContact CB-CB 3.46Å; F582-M697 HydrophobicContact CB-CG 4.26Å; F582-M697 HydrophobicContact CD1-CB 3.92Å; F582-M697 HydrophobicContact CD1-CE 4.32Å; F582-M697 HydrophobicContact CD1-CG 3.74Å; F582-M697 HydrophobicContact CD2-CB 4.45Å; F582-M697 HydrophobicContact CD2-CE 3.82Å; F582-M697 HydrophobicContact CE1-CE 4.23Å; F582-M697 HydrophobicContact CE1-CG 4.21Å; F582-M697 HydrophobicContact CE2-CE 3.73Å; F582-M697 HydrophobicContact CG-CB 3.7Å; F582-M697 HydrophobicContact CG-CE 4.12Å; F582-M697 HydrophobicContact CG-CG 3.94Å; F582-M697 HydrophobicContact CZ-CE 3.95Å; R695-M697 PolarHBondContact O-N 3.46Å
698	D	76.7	Confident	82.6	Confident	30 Å²	30	45.1 Å²	45.1	16%	0.16	24%	0.241	C	C	.	.	S	Bend	trans	-71.3	139.9	178.7	-73.9	-24.8	0	0	0	111.1	H580 D581 R695 L700	H580-D698 VanDerWaalsContact CA-OD1 3.29Å; H580-D698 WeakPolarHBondContact CA-OD1 3.45Å; H580-D698 WeakPolarHBondContact CB-OD1 3.47Å; H580-D698 IonicContact CE1-OD2 3.72Å; H580-D698 IonicContact CG-OD2 3.42Å; H580-D698 IonicContact ND1-OD1 2.7Å; H580-D698 IonicContact ND1-OD2 3.68Å; H580-D698 PolarHBondContact ND1-OD2 3.36Å; D581-D698 PolarHBondContact N-OD1 2.91Å; R695-D698 PolarHBondContact O-N 2.85Å; R695-D698 VanDerWaalsContact O-N 3.15Å; D698-L700 PolarHBondContact O-N 3.5Å; D698-L700 VanDerWaalsContact O-N 3.13Å
699	K	73.7	Confident	82.9	Confident	189 Å²	189	45 Å²	45	82%	0.822	24%	0.241	S	C	*	.			trans	-73.3	105.4	173.8	-70.2	-180	-178.2	175	0	110	D581	D581-K699 WeakPolarHBondContact OD2-CB 3.17Å; D581-K699 PolarHBondContact OD2-N 2.78Å
700	L	72.3	Confident	82.9	Confident	42 Å²	42	44.9 Å²	44.9	22%	0.22	24%	0.24	C	C	.	.			trans	-85.6	133.1	174.9	-74.1	114.7	0	0	0	112.1	Y670 D698 N704 M705 W708	Y670-L700 HydrophobicContact CD1-CD2 4.38Å; Y670-L700 HydrophobicContact CE1-CD1 4.04Å; D698-L700 PolarHBondContact O-N 3.5Å; D698-L700 VanDerWaalsContact O-N 3.13Å; L700-N704 HydrophobicContact CD2-CB 3.99Å; L700-M705 HydrophobicContact CB-CE 4.05Å; L700-W708 HydrophobicContact CD1-CH2 3.93Å; L700-W708 HydrophobicContact CD1-CZ2 3.81Å; L700-W708 HydrophobicContact CD2-CZ2 3.68Å; L700-W708 HydrophobicContact CG-CZ2 4.22Å
701	S	79.6	Confident	83.2	Confident	57 Å²	57	44.2 Å²	44.2	40%	0.399	23%	0.232	S	C	.	.			trans	-67.2	151.8	167.4	63.7	0	0	0	0	111.2	E703 N704	S701-E703 PolarHBondContact O-N 3.49Å; S701-N704 PolarHBondContact O-N 2.96Å; S701-N704 PolarHBondContact OG-ND2 2.95Å
702	T	83.5	Confident	83.6	Confident	42 Å²	42	45 Å²	45	26%	0.258	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-52.9	-42	175.8	-40.8	0	0	0	0	111.8	N704 M705 P751 E752 I755	T702-N704 VanDerWaalsContact C-N 3.3Å; T702-N704 PolarHBondContact O-N 3.48Å; T702-M705 WeakPolarHBondContact O-CB 3.46Å; T702-M705 PolarHBondContact O-N 2.99Å; T702-P751 HydrophobicContact CG2-CB 3.99Å; T702-E752 WeakPolarHBondContact CB-OE1 3.31Å; T702-E752 HydrophobicContact CG2-CB 4.24Å; T702-E752 HydrophobicContact CG2-CG 3.74Å; T702-E752 WeakPolarHBondContact CG2-OE1 3.01Å; T702-E752 PolarHBondContact OG1-OE1 3.02Å; T702-I755 HydrophobicContact CG2-CD1 3.48Å; T702-I755 VanDerWaalsContact CG2-CD1 3.48Å; T702-I755 HydrophobicContact CG2-CG1 4.47Å; T702-I755 VanDerWaalsContact O-CD1 3.3Å; T702-I755 WeakPolarHBondContact O-CD1 3.47Å
703	E	84.7	Confident	84.1	Confident	89 Å²	89	43.4 Å²	43.4	42%	0.416	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-57.4	-40.2	177.2	-68.7	175.5	-162.5	0	0	113.1	R674 S701 M705 L706 W707 P751	R674-E703 IonicContact NH2-OE2 3.7Å; S701-E703 PolarHBondContact O-N 3.49Å; E703-M705 PolarHBondContact O-N 3.04Å; E703-L706 WeakPolarHBondContact O-CB 3.34Å; E703-L706 WeakPolarHBondContact O-CG 3.32Å; E703-L706 PolarHBondContact O-N 3.1Å; E703-L706 VanDerWaalsContact O-N 3.17Å; E703-W707 WeakPolarHBondContact O-CZ3 3.46Å; E703-P751 HydrophobicContact CG-CB 4.2Å; E703-P751 HydrophobicContact CG-CG 3.76Å
704	N	84.4	Confident	84.6	Confident	29 Å²	29	41.2 Å²	41.2	16%	0.155	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-69.3	-14.2	180	-74.3	-34.8	0	0	0	113.3	R674 L700 S701 T702 W708	R674-N704 PolarHBondContact NH1-OD1 3.39Å; L700-N704 HydrophobicContact CD2-CB 3.99Å; S701-N704 PolarHBondContact O-N 2.96Å; S701-N704 PolarHBondContact OG-ND2 2.95Å; T702-N704 VanDerWaalsContact C-N 3.3Å; T702-N704 PolarHBondContact O-N 3.48Å; N704-W708 PolarHBondContact O-NE1 2.68Å
705	M	89.6	Confident	84.6	Confident	50 Å²	50	44.1 Å²	44.1	25%	0.246	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-86.3	-6.5	176.4	-62.6	179.3	-173.4	0	0	112.8	L700 T702 E703 W707 W708 L713 I755	L700-M705 HydrophobicContact CB-CE 4.05Å; T702-M705 WeakPolarHBondContact O-CB 3.46Å; T702-M705 PolarHBondContact O-N 2.99Å; E703-M705 PolarHBondContact O-N 3.04Å; M705-W707 PolarHBondContact O-N 2.7Å; M705-W708 HydrophobicContact CB-CD2 4.29Å; M705-W708 HydrophobicContact CB-CE3 4.48Å; M705-W708 HydrophobicContact CB-CG 4.49Å; M705-W708 HydrophobicContact CG-CD2 4.23Å; M705-W708 HydrophobicContact CG-CE3 4.2Å; M705-W708 HydrophobicContact CG-CH2 4.29Å; M705-W708 HydrophobicContact CG-CZ2 4.37Å; M705-W708 HydrophobicContact CG-CZ3 4.22Å; M705-W708 VanDerWaalsContact O-CB 3.31Å; M705-W708 WeakPolarHBondContact O-CB 3.36Å; M705-W708 PolarHBondContact O-N 3.23Å; M705-L713 HydrophobicContact CB-CD2 4.11Å; M705-I755 HydrophobicContact CB-CD1 3.46Å; M705-I755 VanDerWaalsContact CB-CD1 3.46Å; M705-I755 HydrophobicContact CG-CD1 4.45Å; M705-I755 HydrophobicContact SD-CD1 4.32Å
706	L	92.5	Very high	84.1	Confident	1 Å²	1	50 Å²	50	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.5	-179.6	-68.9	171.7	0	0	0	113.6	E703 W708 F742 L744 P751 I754 I755	E703-L706 WeakPolarHBondContact O-CB 3.34Å; E703-L706 WeakPolarHBondContact O-CG 3.32Å; E703-L706 PolarHBondContact O-N 3.1Å; E703-L706 VanDerWaalsContact O-N 3.17Å; L706-W708 VanDerWaalsContact C-N 3.31Å; L706-F742 HydrophobicContact CB-CD2 4.33Å; L706-F742 HydrophobicContact CB-CE2 4.42Å; L706-F742 HydrophobicContact CD2-CD2 4.28Å; L706-L744 HydrophobicContact CD1-CD1 3.67Å; L706-L744 HydrophobicContact CD1-CD2 4.32Å; L706-L744 HydrophobicContact CD1-CG 4.29Å; L706-P751 HydrophobicContact CD1-CB 4.39Å; L706-I754 HydrophobicContact CD2-CB 4.13Å; L706-I754 HydrophobicContact CD2-CG2 3.87Å; L706-I755 HydrophobicContact CD2-CG1 4.14Å
707	W	93.8	Very high	83.6	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.027	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-9.8	174.2	-65.3	-90.4	0	0	0	113.2	L671 S673 E703 M705 S727 I730 E734 A741	L671-W707 WeakPolarHBondContact O-CB 3.48Å; S673-W707 VanDerWaalsContact OG-CZ2 3.26Å; S673-W707 WeakPolarHBondContact OG-CZ2 3.29Å; E703-W707 WeakPolarHBondContact O-CZ3 3.46Å; M705-W707 PolarHBondContact O-N 2.7Å; W707-S727 WeakPolarHBondContact O-CA 3.34Å; W707-S727 WeakPolarHBondContact O-CB 3.29Å; W707-S727 PolarHBondContact O-OG 3.08Å; W707-I730 HydrophobicContact CG-CG2 4.29Å; W707-E734 PolarHBondContact NE1-OE2 2.91Å; W707-A741 HydrophobicContact CH2-CB 4.12Å; W707-A741 HydrophobicContact CZ2-CB 3.53Å
708	W	92	Very high	83.7	Confident	32 Å²	32	55.9 Å²	55.9	12%	0.121	29%	0.29	C	S	.	.	S	Bend	trans	-78.1	142.8	-173.5	-66.9	13	0	0	0	111.2	Y670 L700 N704 M705 L706 V712 L713 Y726	Y670-W708 HydrophobicContact CD1-CZ2 4.06Å; Y670-W708 HydrophobicContact CE1-CZ2 4.1Å; L700-W708 HydrophobicContact CD1-CH2 3.93Å; L700-W708 HydrophobicContact CD1-CZ2 3.81Å; L700-W708 HydrophobicContact CD2-CZ2 3.68Å; L700-W708 HydrophobicContact CG-CZ2 4.22Å; N704-W708 PolarHBondContact O-NE1 2.68Å; M705-W708 HydrophobicContact CB-CD2 4.29Å; M705-W708 HydrophobicContact CB-CE3 4.48Å; M705-W708 HydrophobicContact CB-CG 4.49Å; M705-W708 HydrophobicContact CG-CD2 4.23Å; M705-W708 HydrophobicContact CG-CE3 4.2Å; M705-W708 HydrophobicContact CG-CH2 4.29Å; M705-W708 HydrophobicContact CG-CZ2 4.37Å; M705-W708 HydrophobicContact CG-CZ3 4.22Å; M705-W708 VanDerWaalsContact O-CB 3.31Å; M705-W708 WeakPolarHBondContact O-CB 3.36Å; M705-W708 PolarHBondContact O-N 3.23Å; L706-W708 VanDerWaalsContact C-N 3.31Å; W708-V712 HydrophobicContact CE3-CG1 4.07Å; W708-L713 HydrophobicContact CB-CD1 4.38Å; W708-L713 HydrophobicContact CB-CD2 3.92Å; W708-L713 HydrophobicContact CB-CG 3.9Å; W708-L713 HydrophobicContact CD2-CD2 4.49Å; W708-L713 HydrophobicContact CE3-CD2 3.92Å; W708-Y726 VanDerWaalsContact O-CE1 3.27Å; W708-Y726 WeakPolarHBondContact O-CE1 3.37Å
709	A	92.6	Very high	84.2	Confident	1 Å²	1	57 Å²	57	1%	0.008	29%	0.291	C	S	.	.			trans	-67.8	146.4	179.3	0	0	0	0	0	112	E711 V712 L713 A723 Y726	A709-E711 VanDerWaalsContact C-N 3.27Å; A709-E711 WeakPolarHBondContact CB-OE1 3.45Å; A709-E711 WeakPolarHBondContact CB-OE2 3.39Å; A709-E711 PolarHBondContact O-N 3.36Å; A709-V712 HydrophobicContact CB-CG2 4.31Å; A709-V712 WeakPolarHBondContact O-CB 3.16Å; A709-V712 PolarHBondContact O-N 2.98Å; A709-L713 PolarHBondContact O-N 2.94Å; A709-A723 HydrophobicContact CB-CB 3.93Å; A709-Y726 VanDerWaalsContact CA-CD1 3.5Å; A709-Y726 HydrophobicContact CB-CD1 4.01Å; A709-Y726 HydrophobicContact CB-CD2 4.45Å; A709-Y726 HydrophobicContact CB-CG 3.82Å
710	P	91.4	Very high	85.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-37.6	-176.4	-26.7	34.4	0	0	0	114.1	L713 R714 Y726	P710-L713 PolarHBondContact O-N 3.31Å; P710-R714 WeakPolarHBondContact O-CB 3.41Å; P710-R714 WeakPolarHBondContact O-CD 3.5Å; P710-R714 WeakPolarHBondContact O-CG 3.39Å; P710-R714 PolarHBondContact O-N 2.81Å; P710-Y726 VanDerWaalsContact CD-CE2 3.46Å; P710-Y726 HydrophobicContact CG-CE2 3.93Å
711	E	91.1	Very high	86.1	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.033	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-36.1	177.6	68.3	-77.7	-175.2	0	0	113.2	A709 R714 G715 L716 E717 P794 R797	A709-E711 VanDerWaalsContact C-N 3.27Å; A709-E711 WeakPolarHBondContact CB-OE1 3.45Å; A709-E711 WeakPolarHBondContact CB-OE2 3.39Å; A709-E711 PolarHBondContact O-N 3.36Å; E711-R714 PolarHBondContact O-N 3.01Å; E711-G715 PolarHBondContact O-N 2.93Å; E711-L716 PolarHBondContact O-N 2.83Å; E711-E717 HydrophobicContact CG-CB 4.45Å; E711-P794 HydrophobicContact CB-CG 4.21Å; E711-P794 HydrophobicContact CG-CG 3.73Å; E711-R797 IonicContact OE1-CZ 2.69Å; E711-R797 IonicContact OE1-NH1 3.59Å; E711-R797 PolarHBondContact OE1-NH1 3.11Å; E711-R797 IonicContact OE1-NH2 3.84Å; E711-R797 PolarHBondContact OE1-NH2 3.3Å; E711-R797 IonicContact OE2-CZ 2.73Å; E711-R797 IonicContact OE2-NH1 3.54Å; E711-R797 IonicContact OE2-NH2 3.53Å; E711-R797 PolarHBondContact OE2-NH2 3.09Å
712	V	90.3	Very high	86.8	Confident	24 Å²	24	51.9 Å²	51.9	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-70.9	-42.5	174.7	-179.9	0	0	0	0	109.6	W708 A709 R714 G715 R719 A723	W708-V712 HydrophobicContact CE3-CG1 4.07Å; A709-V712 HydrophobicContact CB-CG2 4.31Å; A709-V712 WeakPolarHBondContact O-CB 3.16Å; A709-V712 PolarHBondContact O-N 2.98Å; V712-R714 VanDerWaalsContact C-N 3.28Å; V712-R714 PolarHBondContact O-N 2.89Å; V712-G715 PolarHBondContact O-N 3.36Å; V712-G715 VanDerWaalsContact O-N 3.14Å; V712-R719 HydrophobicContact CG1-CG 4.33Å; V712-A723 HydrophobicContact CG2-CB 3.78Å
713	L	89.8	Confident	87.3	Confident	11 Å²	11	50.1 Å²	50.1	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-31.2	177	-71.1	173.6	0	0	0	113.2	M705 W708 A709 P710 I755 L758 K759	M705-L713 HydrophobicContact CB-CD2 4.11Å; W708-L713 HydrophobicContact CB-CD1 4.38Å; W708-L713 HydrophobicContact CB-CD2 3.92Å; W708-L713 HydrophobicContact CB-CG 3.9Å; W708-L713 HydrophobicContact CD2-CD2 4.49Å; W708-L713 HydrophobicContact CE3-CD2 3.92Å; A709-L713 PolarHBondContact O-N 2.94Å; P710-L713 PolarHBondContact O-N 3.31Å; L713-I755 HydrophobicContact CD2-CG2 4.25Å; L713-L758 HydrophobicContact CD1-CB 4.16Å; L713-L758 HydrophobicContact CD1-CD1 4.27Å; L713-K759 HydrophobicContact CB-CG 3.83Å; L713-K759 WeakPolarHBondContact O-CE 3.05Å; L713-K759 PolarHBondContact O-NZ 2.98Å; L713-K759 VanDerWaalsContact O-NZ 3.07Å
714	R	89.2	Confident	87.8	Confident	81 Å²	81	45.9 Å²	45.9	31%	0.306	23%	0.234	S	C	.	.	H	α-helix	trans	-79.6	-16.4	175.7	-70.1	164.1	-170.5	146.2	12.7	113.5	P710 E711 V712 L716 L758 K759 E792	P710-R714 WeakPolarHBondContact O-CB 3.41Å; P710-R714 WeakPolarHBondContact O-CD 3.5Å; P710-R714 WeakPolarHBondContact O-CG 3.39Å; P710-R714 PolarHBondContact O-N 2.81Å; E711-R714 PolarHBondContact O-N 3.01Å; V712-R714 VanDerWaalsContact C-N 3.28Å; V712-R714 PolarHBondContact O-N 2.89Å; R714-L716 VanDerWaalsContact C-N 3.33Å; R714-L716 HydrophobicContact CB-CD1 3.83Å; R714-L716 HydrophobicContact CB-CG 3.82Å; R714-L716 HydrophobicContact CG-CD1 4.39Å; R714-L758 PolarHBondContact NH2-O 2.74Å; R714-K759 HydrophobicContact CG-CB 4.48Å; R714-K759 PolarHBondContact NE-O 3Å; R714-E792 IonicContact CZ-OE1 2.79Å; R714-E792 IonicContact NH1-OE1 2.67Å; R714-E792 PolarHBondContact NH1-OE1 2.8Å; R714-E792 IonicContact NH2-OE1 2.73Å; R714-E792 PolarHBondContact NH2-OE1 3.11Å
715	G	81.6	Confident	88.4	Confident	67 Å²	67	44.7 Å²	44.7	69%	0.691	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	24.2	-174	0	0	0	0	0	113.7	E711 V712	E711-G715 PolarHBondContact O-N 2.93Å; V712-G715 PolarHBondContact O-N 3.36Å; V712-G715 VanDerWaalsContact O-N 3.14Å
716	L	67.6	Low	88.8	Confident	129 Å²	129	42.3 Å²	42.3	68%	0.675	22%	0.216	S	C	*	.	S	Bend	trans	-82.9	-32.7	-179.1	-69.5	169.2	0	0	0	112.3	E711 R714	E711-L716 PolarHBondContact O-N 2.83Å; R714-L716 VanDerWaalsContact C-N 3.33Å; R714-L716 HydrophobicContact CB-CD1 3.83Å; R714-L716 HydrophobicContact CB-CG 3.82Å; R714-L716 HydrophobicContact CG-CD1 4.39Å
717	E	65.2	Low	88.9	Confident	106 Å²	106	42.4 Å²	42.4	50%	0.495	22%	0.217	S	C	.	.	S	Bend	trans	-135.7	152.5	179.9	-70.6	-172.8	166.2	0	0	111.1	E711	E711-E717 HydrophobicContact CG-CB 4.45Å
718	Q	76	Confident	89.1	Confident	180 Å²	180	42.2 Å²	42.2	84%	0.841	22%	0.216	S	C	*	.			trans	-69.1	160	167.3	-66.9	-175.9	-7.7	0	0	109.6	S720	Q718-S720 PolarHBondContact O-N 3.2Å
719	R	87.1	Confident	89.2	Confident	53 Å²	53	40.7 Å²	40.7	20%	0.2	21%	0.21	C	C	.	.			trans	-54.2	136.6	176.3	-61.9	173.2	-169.4	-94.5	-5.4	109.8	F667 G669 Y670 V712	F667-R719 HydrophobicContact CD2-CB 4.28Å; F667-R719 HydrophobicContact CE2-CB 3.87Å; F667-R719 HydrophobicContact CZ-CB 4.48Å; G669-R719 PolarHBondContact O-NH1 2.93Å; Y670-R719 VanDerWaalsContact CZ-NH2 3.28Å; Y670-R719 PolarHBondContact OH-NE 3.38Å; Y670-R719 PolarHBondContact OH-NH2 2.87Å; V712-R719 HydrophobicContact CG1-CG 4.33Å
720	S	92	Very high	89.4	Confident	19 Å²	19	40.6 Å²	40.6	13%	0.133	21%	0.21	C	C	.	.			trans	-141.5	174.9	-171.5	69.4	0	0	0	0	111.6	Q718 E722 A723 D724	Q718-S720 PolarHBondContact O-N 3.2Å; S720-E722 VanDerWaalsContact C-N 3.27Å; S720-E722 VanDerWaalsContact CB-OE2 3.23Å; S720-E722 WeakPolarHBondContact CB-OE2 3.2Å; S720-E722 PolarHBondContact O-N 3.18Å; S720-E722 PolarHBondContact OG-N 2.99Å; S720-E722 PolarHBondContact OG-OE2 2.97Å; S720-E722 VanDerWaalsContact OG-OE2 3.11Å; S720-A723 PolarHBondContact O-N 2.99Å; S720-A723 PolarHBondContact OG-N 3.1Å; S720-D724 PolarHBondContact O-N 3.1Å
721	K	94.3	Very high	89.6	Confident	81 Å²	81	40.6 Å²	40.6	35%	0.352	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-39.7	173.7	-70.8	178	175.2	-175.5	0	110.8	H661 H666 F667 A723 D724 I725	H661-K721 HydrophobicContact CB-CD 4.34Å; H661-K721 PolarHBondContact CE1-O 3.23Å; H661-K721 WeakPolarHBondContact O-CE 3.13Å; H661-K721 PolarHBondContact O-NZ 3.07Å; H666-K721 WeakPolarHBondContact O-CE 3.4Å; H666-K721 VanDerWaalsContact O-CG 3.23Å; H666-K721 WeakPolarHBondContact O-CG 3.35Å; F667-K721 HydrophobicContact CB-CG 4.3Å; K721-A723 VanDerWaalsContact C-N 3.29Å; K721-A723 PolarHBondContact O-N 2.85Å; K721-D724 WeakPolarHBondContact O-CB 3.36Å; K721-D724 PolarHBondContact O-N 2.98Å; K721-I725 WeakPolarHBondContact O-CG1 3.26Å; K721-I725 PolarHBondContact O-N 2.71Å
722	E	94.7	Very high	89.8	Confident	80 Å²	80	40.3 Å²	40.3	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-33.2	180	-60.3	70.6	-155.5	0	0	111.4	S720 I725 Y726 P794 R797	S720-E722 VanDerWaalsContact C-N 3.27Å; S720-E722 VanDerWaalsContact CB-OE2 3.23Å; S720-E722 WeakPolarHBondContact CB-OE2 3.2Å; S720-E722 PolarHBondContact O-N 3.18Å; S720-E722 PolarHBondContact OG-N 2.99Å; S720-E722 PolarHBondContact OG-OE2 2.97Å; S720-E722 VanDerWaalsContact OG-OE2 3.11Å; E722-I725 PolarHBondContact O-N 3.09Å; E722-Y726 PolarHBondContact O-N 3.12Å; E722-P794 HydrophobicContact CB-CB 3.92Å; E722-P794 HydrophobicContact CG-CB 4.36Å; E722-R797 WeakPolarHBondContact O-CD 3.41Å; E722-R797 PolarHBondContact O-NH1 3.49Å
723	A	94.4	Very high	90	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-38.9	173.3	0	0	0	0	0	112	A709 V712 S720 K721 I725 Y726 S727	A709-A723 HydrophobicContact CB-CB 3.93Å; V712-A723 HydrophobicContact CG2-CB 3.78Å; S720-A723 PolarHBondContact O-N 2.99Å; S720-A723 PolarHBondContact OG-N 3.1Å; K721-A723 VanDerWaalsContact C-N 3.29Å; K721-A723 PolarHBondContact O-N 2.85Å; A723-I725 VanDerWaalsContact C-N 3.31Å; A723-I725 PolarHBondContact O-N 3.11Å; A723-Y726 WeakPolarHBondContact O-CB 3.42Å; A723-Y726 PolarHBondContact O-N 2.91Å; A723-S727 PolarHBondContact O-N 3.14Å; A723-S727 VanDerWaalsContact O-N 3.15Å; A723-S727 PolarHBondContact O-OG 2.86Å
724	D	95.4	Very high	90.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-35.3	174.5	-69.7	-27.1	0	0	0	112.3	L657 H661 F667 H668 G669 S720 K721 Y726 S727 F728	L657-D724 HydrophobicContact CD1-CB 3.94Å; L657-D724 HydrophobicContact CD2-CB 4.15Å; H661-D724 IonicContact CD2-OD2 3.48Å; H661-D724 IonicContact NE2-OD2 3.57Å; H661-D724 PolarHBondContact NE2-OD2 3.06Å; F667-D724 WeakPolarHBondContact CB-OD2 3.28Å; H668-D724 PolarHBondContact N-OD2 3.02Å; G669-D724 WeakPolarHBondContact CA-OD1 3.28Å; G669-D724 PolarHBondContact N-OD1 2.9Å; S720-D724 PolarHBondContact O-N 3.1Å; K721-D724 WeakPolarHBondContact O-CB 3.36Å; K721-D724 PolarHBondContact O-N 2.98Å; D724-Y726 VanDerWaalsContact C-N 3.31Å; D724-Y726 PolarHBondContact O-N 2.65Å; D724-S727 WeakPolarHBondContact O-CB 3.38Å; D724-S727 PolarHBondContact O-N 3.21Å; D724-F728 WeakPolarHBondContact O-CB 3.38Å; D724-F728 PolarHBondContact O-N 3.1Å
725	I	97	Very high	90.3	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-38.9	176.3	-61.1	-57.5	0	0	0	111	L657 K721 E722 A723 F728 G729 C789 R797 I800	L657-I725 HydrophobicContact CD2-CD1 4.28Å; K721-I725 WeakPolarHBondContact O-CG1 3.26Å; K721-I725 PolarHBondContact O-N 2.71Å; E722-I725 PolarHBondContact O-N 3.09Å; A723-I725 VanDerWaalsContact C-N 3.31Å; A723-I725 PolarHBondContact O-N 3.11Å; I725-F728 WeakPolarHBondContact O-CB 3.47Å; I725-F728 PolarHBondContact O-N 3.02Å; I725-G729 PolarHBondContact O-N 3.22Å; I725-C789 CarbonylContact C-O 3.54Å; I725-C789 HydrophobicContact CG2-CB 3.89Å; I725-R797 HydrophobicContact CG2-CB 4.05Å; I725-I800 HydrophobicContact CD1-CB 4Å; I725-I800 HydrophobicContact CD1-CD1 3.93Å; I725-I800 HydrophobicContact CD1-CG1 4.48Å
726	Y	96.1	Very high	90.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-49.4	172.1	-179.7	-81.5	0	0	0	111.3	W708 A709 P710 E722 A723 D724 F728 G729 I730 L758 C789 W790	W708-Y726 VanDerWaalsContact O-CE1 3.27Å; W708-Y726 WeakPolarHBondContact O-CE1 3.37Å; A709-Y726 VanDerWaalsContact CA-CD1 3.5Å; A709-Y726 HydrophobicContact CB-CD1 4.01Å; A709-Y726 HydrophobicContact CB-CD2 4.45Å; A709-Y726 HydrophobicContact CB-CG 3.82Å; P710-Y726 VanDerWaalsContact CD-CE2 3.46Å; P710-Y726 HydrophobicContact CG-CE2 3.93Å; E722-Y726 PolarHBondContact O-N 3.12Å; A723-Y726 WeakPolarHBondContact O-CB 3.42Å; A723-Y726 PolarHBondContact O-N 2.91Å; D724-Y726 VanDerWaalsContact C-N 3.31Å; D724-Y726 PolarHBondContact O-N 2.65Å; Y726-F728 VanDerWaalsContact C-N 3.27Å; Y726-F728 PolarHBondContact O-N 2.85Å; Y726-G729 PolarHBondContact O-N 2.9Å; Y726-G729 VanDerWaalsContact O-N 3.07Å; Y726-I730 HydrophobicContact CD1-CG1 4.11Å; Y726-I730 HydrophobicContact CE1-CD1 3.99Å; Y726-I730 HydrophobicContact CE1-CG1 3.69Å; Y726-I730 PolarHBondContact O-N 3.24Å; Y726-I730 VanDerWaalsContact O-N 3.13Å; Y726-L758 WeakPolarHBondContact OH-CD2 3.49Å; Y726-C789 VanDerWaalsContact CA-O 3.31Å; Y726-C789 WeakPolarHBondContact CA-O 3.4Å; Y726-C789 PolarHBondContact N-O 3.24Å; Y726-W790 HydrophobicContact CD2-CB 3.65Å; Y726-W790 HydrophobicContact CE2-CB 3.69Å; Y726-W790 HydrophobicContact CG-CB 4.38Å
727	S	95.8	Very high	91.7	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-58.5	-40.8	177.6	-58.3	0	0	0	0	112	L671 W707 A723 D724 G729 I730 I731	L671-S727 WeakPolarHBondContact O-CB 3.49Å; W707-S727 WeakPolarHBondContact O-CA 3.34Å; W707-S727 WeakPolarHBondContact O-CB 3.29Å; W707-S727 PolarHBondContact O-OG 3.08Å; A723-S727 PolarHBondContact O-N 3.14Å; A723-S727 VanDerWaalsContact O-N 3.15Å; A723-S727 PolarHBondContact O-OG 2.86Å; D724-S727 WeakPolarHBondContact O-CB 3.38Å; D724-S727 PolarHBondContact O-N 3.21Å; S727-G729 VanDerWaalsContact C-N 3.34Å; S727-G729 PolarHBondContact O-N 3Å; S727-I730 PolarHBondContact O-N 3.13Å; S727-I731 VanDerWaalsContact O-CG1 3.31Å; S727-I731 WeakPolarHBondContact O-CG1 3.35Å; S727-I731 PolarHBondContact O-N 3.2Å
728	F	96.7	Very high	92.8	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-42.7	174	174	-99.5	0	0	0	112.1	I650 I653 A654 L657 L671 D724 I725 Y726 I730 I731 C732 V803 L807	I650-F728 HydrophobicContact CG2-CE2 4.31Å; I650-F728 HydrophobicContact CG2-CZ 3.78Å; I653-F728 HydrophobicContact CB-CD2 4.38Å; I653-F728 HydrophobicContact CB-CE2 4.06Å; I653-F728 HydrophobicContact CG2-CD2 3.66Å; I653-F728 HydrophobicContact CG2-CE2 3.86Å; A654-F728 HydrophobicContact CB-CE2 3.99Å; A654-F728 HydrophobicContact CB-CZ 3.94Å; L657-F728 HydrophobicContact CD2-CB 4.17Å; L671-F728 HydrophobicContact CD2-CB 4.24Å; D724-F728 WeakPolarHBondContact O-CB 3.38Å; D724-F728 PolarHBondContact O-N 3.1Å; I725-F728 WeakPolarHBondContact O-CB 3.47Å; I725-F728 PolarHBondContact O-N 3.02Å; Y726-F728 VanDerWaalsContact C-N 3.27Å; Y726-F728 PolarHBondContact O-N 2.85Å; F728-I730 PolarHBondContact O-N 3.18Å; F728-I731 PolarHBondContact O-N 3.04Å; F728-C732 VanDerWaalsContact CE1-SG 3.51Å; F728-C732 WeakPolarHBondContact CZ-SG 3.27Å; F728-C732 PolarHBondContact O-N 3.43Å; F728-C732 PolarHBondContact O-SG 3.21Å; F728-V803 HydrophobicContact CD1-CG1 4.28Å; F728-V803 HydrophobicContact CE1-CG1 3.53Å; F728-V803 HydrophobicContact CZ-CG1 4.02Å; F728-L807 HydrophobicContact CZ-CD1 4.15Å
729	G	96.1	Very high	93.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.8	-44.1	174.6	0	0	0	0	0	112.8	I725 Y726 S727 C732 S733 I786 W790	I725-G729 PolarHBondContact O-N 3.22Å; Y726-G729 PolarHBondContact O-N 2.9Å; Y726-G729 VanDerWaalsContact O-N 3.07Å; S727-G729 VanDerWaalsContact C-N 3.34Å; S727-G729 PolarHBondContact O-N 3Å; G729-C732 PolarHBondContact O-N 3.17Å; G729-S733 PolarHBondContact O-N 3.48Å; G729-S733 VanDerWaalsContact O-N 3.09Å; G729-I786 WeakPolarHBondContact O-CG2 3.5Å; G729-W790 WeakPolarHBondContact O-CZ3 3.49Å
730	I	96	Very high	93.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-45.4	175.8	-57.4	-63.2	0	0	0	110.8	W707 Y726 S727 F728 C732 S733 E734 A741 F742 P768 W790	W707-I730 HydrophobicContact CG-CG2 4.29Å; Y726-I730 HydrophobicContact CD1-CG1 4.11Å; Y726-I730 HydrophobicContact CE1-CD1 3.99Å; Y726-I730 HydrophobicContact CE1-CG1 3.69Å; Y726-I730 PolarHBondContact O-N 3.24Å; Y726-I730 VanDerWaalsContact O-N 3.13Å; S727-I730 PolarHBondContact O-N 3.13Å; F728-I730 PolarHBondContact O-N 3.18Å; I730-C732 VanDerWaalsContact C-N 3.32Å; I730-C732 PolarHBondContact O-N 2.86Å; I730-S733 WeakPolarHBondContact O-CB 3.47Å; I730-S733 PolarHBondContact O-N 3.05Å; I730-S733 VanDerWaalsContact O-N 3.11Å; I730-S733 PolarHBondContact O-OG 2.91Å; I730-E734 PolarHBondContact O-N 3.12Å; I730-A741 HydrophobicContact CG2-CB 4.03Å; I730-F742 HydrophobicContact CD1-CE2 4.04Å; I730-F742 HydrophobicContact CD1-CZ 4.12Å; I730-P768 HydrophobicContact CD1-CG 3.58Å; I730-W790 HydrophobicContact CD1-CE3 3.77Å; I730-W790 HydrophobicContact CD1-CZ3 4.14Å
731	I	95.7	Very high	93.2	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-41.7	178.2	-63.3	165.8	0	0	0	111.4	L630 I653 L671 S727 F728 S733 E734 V735	L630-I731 HydrophobicContact CD2-CG2 3.65Å; I653-I731 HydrophobicContact CD1-CG2 3.88Å; L671-I731 HydrophobicContact CD1-CD1 4.46Å; L671-I731 HydrophobicContact CD2-CD1 4.12Å; L671-I731 HydrophobicContact CG-CD1 3.75Å; S727-I731 VanDerWaalsContact O-CG1 3.31Å; S727-I731 WeakPolarHBondContact O-CG1 3.35Å; S727-I731 PolarHBondContact O-N 3.2Å; F728-I731 PolarHBondContact O-N 3.04Å; I731-S733 VanDerWaalsContact C-N 3.27Å; I731-S733 PolarHBondContact O-N 3.41Å; I731-E734 WeakPolarHBondContact CA-OE2 3.31Å; I731-E734 WeakPolarHBondContact O-CB 3.26Å; I731-E734 PolarHBondContact O-N 3.4Å; I731-V735 WeakPolarHBondContact O-CG2 3.29Å; I731-V735 PolarHBondContact O-N 3.02Å; I731-V735 VanDerWaalsContact O-N 3.14Å
732	C	95.1	Very high	93	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.007	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-37	176.9	-67.3	0	0	0	0	111.8	I650 F728 G729 I730 V735 I736 I786	I650-C732 HydrophobicContact CD1-CB 4.42Å; F728-C732 VanDerWaalsContact CE1-SG 3.51Å; F728-C732 WeakPolarHBondContact CZ-SG 3.27Å; F728-C732 PolarHBondContact O-N 3.43Å; F728-C732 PolarHBondContact O-SG 3.21Å; G729-C732 PolarHBondContact O-N 3.17Å; I730-C732 VanDerWaalsContact C-N 3.32Å; I730-C732 PolarHBondContact O-N 2.86Å; C732-V735 PolarHBondContact O-N 2.88Å; C732-I736 PolarHBondContact O-N 3.22Å; C732-I736 VanDerWaalsContact O-N 3.16Å; C732-I786 HydrophobicContact CB-CD1 3.7Å; C732-I786 HydrophobicContact CB-CG1 3.55Å
733	S	94.2	Very high	92.7	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-61.1	-45	174	70	0	0	0	0	112.2	G729 I730 I731 V735 I736 T737	G729-S733 PolarHBondContact O-N 3.48Å; G729-S733 VanDerWaalsContact O-N 3.09Å; I730-S733 WeakPolarHBondContact O-CB 3.47Å; I730-S733 PolarHBondContact O-N 3.05Å; I730-S733 VanDerWaalsContact O-N 3.11Å; I730-S733 PolarHBondContact O-OG 2.91Å; I731-S733 VanDerWaalsContact C-N 3.27Å; I731-S733 PolarHBondContact O-N 3.41Å; S733-V735 VanDerWaalsContact C-N 3.3Å; S733-V735 PolarHBondContact O-N 3.17Å; S733-I736 WeakPolarHBondContact O-CG1 3.37Å; S733-I736 PolarHBondContact O-N 2.81Å; S733-T737 WeakPolarHBondContact O-CG2 3.5Å; S733-T737 PolarHBondContact O-N 3.14Å; S733-T737 PolarHBondContact O-OG1 3.18Å
734	E	93.3	Very high	92.2	Very high	5 Å²	5	13.6 Å²	13.6	2%	0.023	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-41.2	177.5	-65.3	173.8	87.2	0	0	112.1	I634 S673 W707 I730 I731 R738 S739 A741	I634-E734 HydrophobicContact CD1-CB 3.88Å; S673-E734 WeakPolarHBondContact CB-OE1 3.34Å; S673-E734 WeakPolarHBondContact CB-OE2 3.33Å; S673-E734 PolarHBondContact OG-OE1 3.31Å; S673-E734 PolarHBondContact OG-OE2 2.94Å; W707-E734 PolarHBondContact NE1-OE2 2.91Å; I730-E734 PolarHBondContact O-N 3.12Å; I731-E734 WeakPolarHBondContact CA-OE2 3.31Å; I731-E734 WeakPolarHBondContact O-CB 3.26Å; I731-E734 PolarHBondContact O-N 3.4Å; E734-R738 VanDerWaalsContact O-CA 3.32Å; E734-R738 WeakPolarHBondContact O-CA 3.32Å; E734-R738 PolarHBondContact O-N 3.11Å; E734-S739 WeakPolarHBondContact CA-O 3.31Å; E734-S739 WeakPolarHBondContact CB-O 3.25Å; E734-S739 PolarHBondContact O-N 3Å; E734-A741 HydrophobicContact CG-CB 4.11Å; E734-A741 PolarHBondContact OE1-N 2.85Å
735	V	91.7	Very high	91.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.8	-46.7	179.8	176.1	0	0	0	0	111.5	L630 I634 M641 M646 I650 I731 C732 S733	L630-V735 HydrophobicContact CD1-CG2 4.15Å; L630-V735 HydrophobicContact CD2-CG2 3.67Å; L630-V735 HydrophobicContact CG-CG2 4.24Å; I634-V735 HydrophobicContact CD1-CG2 4.37Å; M641-V735 HydrophobicContact CE-CG1 4.33Å; M646-V735 HydrophobicContact CB-CG1 3.86Å; M646-V735 HydrophobicContact CG-CG1 3.94Å; I650-V735 HydrophobicContact CD1-CB 4.35Å; I650-V735 HydrophobicContact CD1-CG1 4.13Å; I650-V735 HydrophobicContact CG1-CB 4.35Å; I650-V735 HydrophobicContact CG1-CG1 4.15Å; I650-V735 HydrophobicContact CG1-CG2 4.48Å; I731-V735 WeakPolarHBondContact O-CG2 3.29Å; I731-V735 PolarHBondContact O-N 3.02Å; I731-V735 VanDerWaalsContact O-N 3.14Å; C732-V735 PolarHBondContact O-N 2.88Å; S733-V735 VanDerWaalsContact C-N 3.3Å; S733-V735 PolarHBondContact O-N 3.17Å
736	I	90.9	Very high	90.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-76.1	-34.6	-174.5	67.5	160.2	0	0	0	112.7	I650 C732 S733 L770 T772 I778 L782 I786	I650-I736 HydrophobicContact CD1-CG2 4.2Å; C732-I736 PolarHBondContact O-N 3.22Å; C732-I736 VanDerWaalsContact O-N 3.16Å; S733-I736 WeakPolarHBondContact O-CG1 3.37Å; S733-I736 PolarHBondContact O-N 2.81Å; I736-L770 HydrophobicContact CD1-CB 4.39Å; I736-L770 HydrophobicContact CD1-CD2 3.74Å; I736-L770 HydrophobicContact CG1-CD2 4.4Å; I736-T772 HydrophobicContact CB-CG2 4.41Å; I736-T772 HydrophobicContact CD1-CG2 4.2Å; I736-T772 HydrophobicContact CG1-CG2 4.42Å; I736-I778 HydrophobicContact CB-CD1 3.56Å; I736-I778 HydrophobicContact CG2-CD1 3.97Å; I736-L782 HydrophobicContact CG2-CD2 3.95Å; I736-I786 HydrophobicContact CD1-CD1 3.75Å; I736-I786 HydrophobicContact CG1-CD1 4.26Å; I736-I786 HydrophobicContact CG2-CD1 4.35Å
737	T	89	Confident	90.4	Very high	27 Å²	27	29.7 Å²	29.7	17%	0.166	15%	0.147	C	C	.	.	H	α-helix	trans	-85.9	-14	178.9	61.1	0	0	0	0	112.4	S733 S739 S769	S733-T737 WeakPolarHBondContact O-CG2 3.5Å; S733-T737 PolarHBondContact O-N 3.14Å; S733-T737 PolarHBondContact O-OG1 3.18Å; T737-S739 PolarHBondContact O-N 3.35Å; T737-S739 PolarHBondContact OG1-N 2.83Å; T737-S739 PolarHBondContact OG1-OG 3.36Å; T737-S769 WeakPolarHBondContact CG2-O 3.47Å
738	R	87.1	Confident	90	Very high	92 Å²	92	39.5 Å²	39.5	35%	0.347	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	37.3	-172.6	-58.5	177.3	-74.7	175.3	-1.3	111.9	M646 E734 D773	M646-R738 HydrophobicContact CE-CG 3.67Å; E734-R738 VanDerWaalsContact O-CA 3.32Å; E734-R738 WeakPolarHBondContact O-CA 3.32Å; E734-R738 PolarHBondContact O-N 3.11Å; R738-D773 IonicContact NH2-OD2 3.64Å; R738-D773 PolarHBondContact NH2-OD2 2.9Å; R738-D773 VanDerWaalsContact NH2-OD2 3.07Å
739	S	87.6	Confident	89.5	Confident	23 Å²	23	42 Å²	42	16%	0.161	20%	0.2	C	C	.	.	S	Bend	trans	-127.1	163.8	179.6	69.8	0	0	0	0	111.4	E734 T737	E734-S739 WeakPolarHBondContact CA-O 3.31Å; E734-S739 WeakPolarHBondContact CB-O 3.25Å; E734-S739 PolarHBondContact O-N 3Å; T737-S739 PolarHBondContact O-N 3.35Å; T737-S739 PolarHBondContact OG1-N 2.83Å; T737-S739 PolarHBondContact OG1-OG 3.36Å
740	S	88.3	Confident	89.2	Confident	27 Å²	27	48.4 Å²	48.4	19%	0.189	23%	0.228	C	C	.	.			trans	-63.9	164.4	172.2	68.1	0	0	0	0	112	F742 D743 L744 E745	S740-F742 PolarHBondContact O-N 2.74Å; S740-D743 WeakPolarHBondContact O-CA 3.43Å; S740-D743 PolarHBondContact O-N 2.89Å; S740-L744 PolarHBondContact OG-N 2.86Å; S740-L744 VanDerWaalsContact OG-N 3.16Å; S740-E745 VanDerWaalsContact CB-OE2 3.29Å; S740-E745 WeakPolarHBondContact CB-OE2 3.34Å; S740-E745 VanDerWaalsContact OG-CD 3.28Å; S740-E745 PolarHBondContact OG-OE2 3.23Å
741	A	88.3	Confident	88.8	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-56.1	125.2	177.6	0	0	0	0	0	111.3	W707 I730 E734 D743 L744	W707-A741 HydrophobicContact CH2-CB 4.12Å; W707-A741 HydrophobicContact CZ2-CB 3.53Å; I730-A741 HydrophobicContact CG2-CB 4.03Å; E734-A741 HydrophobicContact CG-CB 4.11Å; E734-A741 PolarHBondContact OE1-N 2.85Å; A741-D743 PolarHBondContact O-N 3.34Å; A741-L744 WeakPolarHBondContact O-CG 3.24Å
742	F	90.7	Very high	88.5	Confident	4 Å²	4	54 Å²	54	2%	0.018	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	62.8	10.3	-171.2	-66.3	-98.4	0	0	0	115.7	L706 I730 S740 R747 I754 L758 I766 P768	L706-F742 HydrophobicContact CB-CD2 4.33Å; L706-F742 HydrophobicContact CB-CE2 4.42Å; L706-F742 HydrophobicContact CD2-CD2 4.28Å; I730-F742 HydrophobicContact CD1-CE2 4.04Å; I730-F742 HydrophobicContact CD1-CZ 4.12Å; S740-F742 PolarHBondContact O-N 2.74Å; F742-R747 WeakPolarHBondContact O-CD 3.32Å; F742-I754 HydrophobicContact CB-CD1 4.1Å; F742-I754 HydrophobicContact CD1-CG2 3.86Å; F742-I754 HydrophobicContact CD2-CG2 4.43Å; F742-I754 HydrophobicContact CE1-CG2 3.92Å; F742-I754 HydrophobicContact CE2-CG2 4.49Å; F742-I754 HydrophobicContact CG-CD1 4.49Å; F742-I754 HydrophobicContact CG-CG2 4.13Å; F742-I754 HydrophobicContact CZ-CG2 4.25Å; F742-L758 HydrophobicContact CE2-CD1 4.42Å; F742-L758 HydrophobicContact CZ-CD1 3.93Å; F742-L758 HydrophobicContact CZ-CD2 4.24Å; F742-I766 HydrophobicContact CE1-CG1 4.3Å; F742-P768 HydrophobicContact CD1-CG 4.06Å; F742-P768 HydrophobicContact CD2-CG 4.17Å; F742-P768 HydrophobicContact CE1-CG 3.96Å; F742-P768 HydrophobicContact CE2-CG 4.05Å; F742-P768 HydrophobicContact CG-CG 4.16Å; F742-P768 HydrophobicContact CZ-CG 3.95Å
743	D	87.7	Confident	88.3	Confident	42 Å²	42	58.5 Å²	58.5	23%	0.225	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	54.5	51.5	-179.7	-170	21.9	0	0	0	111.8	S740 A741 E745 N746 R747	S740-D743 WeakPolarHBondContact O-CA 3.43Å; S740-D743 PolarHBondContact O-N 2.89Å; A741-D743 PolarHBondContact O-N 3.34Å; D743-E745 PolarHBondContact O-N 2.89Å; D743-E745 VanDerWaalsContact O-N 3.14Å; D743-N746 PolarHBondContact O-N 3.13Å; D743-N746 PolarHBondContact OD1-ND2 2.85Å; D743-N746 WeakPolarHBondContact OD2-CB 3.4Å; D743-N746 PolarHBondContact OD2-ND2 2.81Å; D743-R747 WeakPolarHBondContact O-CG 3.16Å; D743-R747 PolarHBondContact O-N 2.83Å
744	L	84.3	Confident	88.1	Confident	48 Å²	48	58.4 Å²	58.4	25%	0.251	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.4	-174.3	-72.9	172.9	0	0	0	112.6	L706 S740 A741 N746 P751 I754	L706-L744 HydrophobicContact CD1-CD1 3.67Å; L706-L744 HydrophobicContact CD1-CD2 4.32Å; L706-L744 HydrophobicContact CD1-CG 4.29Å; S740-L744 PolarHBondContact OG-N 2.86Å; S740-L744 VanDerWaalsContact OG-N 3.16Å; A741-L744 WeakPolarHBondContact O-CG 3.24Å; L744-N746 VanDerWaalsContact C-N 3.26Å; L744-N746 PolarHBondContact O-N 2.92Å; L744-P751 HydrophobicContact CD1-CG 4.24Å; L744-P751 HydrophobicContact CD2-CG 4.13Å; L744-I754 HydrophobicContact CD2-CD1 3.65Å
745	E	81.8	Confident	87.9	Confident	131 Å²	131	58.7 Å²	58.7	61%	0.612	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.4	179.1	-63.2	99.3	171.9	0	0	112.8	S740 D743	S740-E745 VanDerWaalsContact CB-OE2 3.29Å; S740-E745 WeakPolarHBondContact CB-OE2 3.34Å; S740-E745 VanDerWaalsContact OG-CD 3.28Å; S740-E745 PolarHBondContact OG-OE2 3.23Å; D743-E745 PolarHBondContact O-N 2.89Å; D743-E745 VanDerWaalsContact O-N 3.14Å
746	N	83.7	Confident	87.8	Confident	128 Å²	128	66.4 Å²	66.4	68%	0.684	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	4.3	-175.8	-60.7	-54.6	0	0	0	113.7	D743 L744	D743-N746 PolarHBondContact O-N 3.13Å; D743-N746 PolarHBondContact OD1-ND2 2.85Å; D743-N746 WeakPolarHBondContact OD2-CB 3.4Å; D743-N746 PolarHBondContact OD2-ND2 2.81Å; L744-N746 VanDerWaalsContact C-N 3.26Å; L744-N746 PolarHBondContact O-N 2.92Å
747	R	84.8	Confident	87.8	Confident	84 Å²	84	69.8 Å²	69.8	32%	0.317	32%	0.324	S	S	.	.			trans	-103.9	158	178.7	-72.1	-167.8	77.7	131	3.3	113.3	F742 D743 E749	F742-R747 WeakPolarHBondContact O-CD 3.32Å; D743-R747 WeakPolarHBondContact O-CG 3.16Å; D743-R747 PolarHBondContact O-N 2.83Å; R747-E749 IonicContact CZ-OE1 2.58Å; R747-E749 IonicContact CZ-OE2 2.76Å; R747-E749 IonicContact NE-OE1 2.81Å; R747-E749 IonicContact NE-OE2 2.78Å; R747-E749 PolarHBondContact NE-OE2 2.87Å; R747-E749 VanDerWaalsContact NE-OE2 3.07Å; R747-E749 IonicContact NH2-OE1 3.63Å; R747-E749 PolarHBondContact NH2-OE1 2.94Å; R747-E749 IonicContact NH2-OE2 3.64Å
748	K	86.4	Confident	87.8	Confident	209 Å²	209	68.5 Å²	68.5	91%	0.909	32%	0.316	S	S	*	.	S	Bend	trans	-89.6	-31.2	176.9	-67.5	-175.9	-179	178.8	0	112.2
749	E	87.9	Confident	87.9	Confident	53 Å²	53	68.7 Å²	68.7	25%	0.248	32%	0.319	C	S	.	.	S	Bend	trans	-72.6	136.1	-176.5	-54.2	96.1	138.7	0	0	111.2	R747 E753 I754	R747-E749 IonicContact CZ-OE1 2.58Å; R747-E749 IonicContact CZ-OE2 2.76Å; R747-E749 IonicContact NE-OE1 2.81Å; R747-E749 IonicContact NE-OE2 2.78Å; R747-E749 PolarHBondContact NE-OE2 2.87Å; R747-E749 VanDerWaalsContact NE-OE2 3.07Å; R747-E749 IonicContact NH2-OE1 3.63Å; R747-E749 PolarHBondContact NH2-OE1 2.94Å; R747-E749 IonicContact NH2-OE2 3.64Å; E749-E753 VanDerWaalsContact CA-OE2 3.28Å; E749-E753 WeakPolarHBondContact CA-OE2 2.99Å; E749-E753 HydrophobicContact CB-CB 4.26Å; E749-I754 HydrophobicContact CB-CG1 4Å
750	K	88.4	Confident	87.9	Confident	135 Å²	135	75.3 Å²	75.3	59%	0.587	35%	0.345	S	S	*	.			trans	-77.2	158.7	174.7	-66.6	-177.4	180	178.8	0	111.2	E752 E753 I754	K750-E752 PolarHBondContact O-N 3.28Å; K750-E752 VanDerWaalsContact O-N 3.1Å; K750-E753 PolarHBondContact N-OE2 2.89Å; K750-E753 WeakPolarHBondContact O-CB 3.27Å; K750-E753 PolarHBondContact O-N 3.45Å; K750-I754 PolarHBondContact O-N 3.15Å; K750-I754 VanDerWaalsContact O-N 3.13Å
751	P	87.9	Confident	87.6	Confident	20 Å²	20	74.8 Å²	74.8	13%	0.13	34%	0.344	C	S	.	.	H	α-helix	trans	-50.7	-37.6	176.9	-28.4	35.5	0	0	0	113.8	T702 E703 L706 L744 E753 I754 I755	T702-P751 HydrophobicContact CG2-CB 3.99Å; E703-P751 HydrophobicContact CG-CB 4.2Å; E703-P751 HydrophobicContact CG-CG 3.76Å; L706-P751 HydrophobicContact CD1-CB 4.39Å; L744-P751 HydrophobicContact CD1-CG 4.24Å; L744-P751 HydrophobicContact CD2-CG 4.13Å; P751-E753 VanDerWaalsContact C-N 3.34Å; P751-E753 PolarHBondContact O-N 2.89Å; P751-I754 PolarHBondContact O-N 3.22Å; P751-I755 WeakPolarHBondContact O-CG1 3.33Å; P751-I755 PolarHBondContact O-N 3.32Å
752	E	89.6	Confident	87.1	Confident	98 Å²	98	77.2 Å²	77.2	46%	0.458	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-40.4	177.1	-65.7	67.9	-150	0	0	112.4	T702 K750 Y756	T702-E752 WeakPolarHBondContact CB-OE1 3.31Å; T702-E752 HydrophobicContact CG2-CB 4.24Å; T702-E752 HydrophobicContact CG2-CG 3.74Å; T702-E752 WeakPolarHBondContact CG2-OE1 3.01Å; T702-E752 PolarHBondContact OG1-OE1 3.02Å; K750-E752 PolarHBondContact O-N 3.28Å; K750-E752 VanDerWaalsContact O-N 3.1Å; E752-Y756 WeakPolarHBondContact O-CB 3.48Å; E752-Y756 PolarHBondContact O-N 3.47Å
753	E	90.3	Very high	86.3	Confident	96 Å²	96	87 Å²	87	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-70.9	-41.6	-179.1	-65	174.2	-176.5	0	0	110.8	E749 K750 P751 Y756 Q757	E749-E753 VanDerWaalsContact CA-OE2 3.28Å; E749-E753 WeakPolarHBondContact CA-OE2 2.99Å; E749-E753 HydrophobicContact CB-CB 4.26Å; K750-E753 PolarHBondContact N-OE2 2.89Å; K750-E753 WeakPolarHBondContact O-CB 3.27Å; K750-E753 PolarHBondContact O-N 3.45Å; P751-E753 VanDerWaalsContact C-N 3.34Å; P751-E753 PolarHBondContact O-N 2.89Å; E753-Y756 PolarHBondContact O-N 3.49Å; E753-Q757 WeakPolarHBondContact O-CG 3.35Å; E753-Q757 PolarHBondContact O-N 2.94Å
754	I	90.7	Very high	85.7	Confident	0 Å²	0	92 Å²	92	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-61.1	-46.3	175.1	-61.9	173.2	0	0	0	109.9	L706 F742 L744 E749 K750 P751 Y756 Q757 L758 I766	L706-I754 HydrophobicContact CD2-CB 4.13Å; L706-I754 HydrophobicContact CD2-CG2 3.87Å; F742-I754 HydrophobicContact CB-CD1 4.1Å; F742-I754 HydrophobicContact CD1-CG2 3.86Å; F742-I754 HydrophobicContact CD2-CG2 4.43Å; F742-I754 HydrophobicContact CE1-CG2 3.92Å; F742-I754 HydrophobicContact CE2-CG2 4.49Å; F742-I754 HydrophobicContact CG-CD1 4.49Å; F742-I754 HydrophobicContact CG-CG2 4.13Å; F742-I754 HydrophobicContact CZ-CG2 4.25Å; L744-I754 HydrophobicContact CD2-CD1 3.65Å; E749-I754 HydrophobicContact CB-CG1 4Å; K750-I754 PolarHBondContact O-N 3.15Å; K750-I754 VanDerWaalsContact O-N 3.13Å; P751-I754 PolarHBondContact O-N 3.22Å; I754-Y756 VanDerWaalsContact C-N 3.34Å; I754-Y756 PolarHBondContact O-N 3.39Å; I754-Q757 PolarHBondContact O-N 2.89Å; I754-L758 HydrophobicContact CG2-CD1 4.1Å; I754-L758 HydrophobicContact CG2-CG 4.43Å; I754-L758 WeakPolarHBondContact O-CG 3.36Å; I754-L758 PolarHBondContact O-N 2.87Å; I754-I766 HydrophobicContact CG2-CD1 4.47Å
755	I	89.3	Confident	85.6	Confident	12 Å²	12	90.9 Å²	90.9	6%	0.062	44%	0.437	C	S	.	.	H	α-helix	trans	-62.6	-41.8	177.1	-71.8	-179.9	0	0	0	111.7	T702 M705 L706 L713 P751 Q757 L758 K759	T702-I755 HydrophobicContact CG2-CD1 3.48Å; T702-I755 VanDerWaalsContact CG2-CD1 3.48Å; T702-I755 HydrophobicContact CG2-CG1 4.47Å; T702-I755 VanDerWaalsContact O-CD1 3.3Å; T702-I755 WeakPolarHBondContact O-CD1 3.47Å; M705-I755 HydrophobicContact CB-CD1 3.46Å; M705-I755 VanDerWaalsContact CB-CD1 3.46Å; M705-I755 HydrophobicContact CG-CD1 4.45Å; M705-I755 HydrophobicContact SD-CD1 4.32Å; L706-I755 HydrophobicContact CD2-CG1 4.14Å; L713-I755 HydrophobicContact CD2-CG2 4.25Å; P751-I755 WeakPolarHBondContact O-CG1 3.33Å; P751-I755 PolarHBondContact O-N 3.32Å; I755-Q757 VanDerWaalsContact C-N 3.29Å; I755-Q757 PolarHBondContact O-N 3.14Å; I755-L758 PolarHBondContact O-N 2.76Å; I755-K759 HydrophobicContact CG2-CD 4.24Å; I755-K759 HydrophobicContact CG2-CG 4.33Å; I755-K759 WeakPolarHBondContact O-CB 3.32Å; I755-K759 WeakPolarHBondContact O-CG 3.37Å; I755-K759 PolarHBondContact O-N 2.98Å
756	Y	89.8	Confident	85.9	Confident	162 Å²	162	85.8 Å²	85.8	64%	0.635	41%	0.413	S	S	*	.	H	α-helix	trans	-59	-43	175.9	177.8	-96.4	0	0	0	111.4	E752 E753 I754 K759 K760	E752-Y756 WeakPolarHBondContact O-CB 3.48Å; E752-Y756 PolarHBondContact O-N 3.47Å; E753-Y756 PolarHBondContact O-N 3.49Å; I754-Y756 VanDerWaalsContact C-N 3.34Å; I754-Y756 PolarHBondContact O-N 3.39Å; Y756-K759 PolarHBondContact O-N 2.92Å; Y756-K760 PolarHBondContact O-N 3.1Å
757	Q	89.8	Confident	86.3	Confident	73 Å²	73	81.9 Å²	81.9	34%	0.341	39%	0.389	S	S	.	.	H	α-helix	trans	-66	-41.6	176	-68.4	177.2	18.2	0	0	112.5	E753 I754 I755 K759 K760 G761 I766	E753-Q757 WeakPolarHBondContact O-CG 3.35Å; E753-Q757 PolarHBondContact O-N 2.94Å; I754-Q757 PolarHBondContact O-N 2.89Å; I755-Q757 VanDerWaalsContact C-N 3.29Å; I755-Q757 PolarHBondContact O-N 3.14Å; Q757-K759 VanDerWaalsContact C-N 3.35Å; Q757-K759 PolarHBondContact O-N 2.88Å; Q757-K760 PolarHBondContact O-N 2.82Å; Q757-G761 PolarHBondContact O-N 3.05Å; Q757-G761 VanDerWaalsContact O-N 3.15Å; Q757-I766 HydrophobicContact CB-CG2 3.83Å; Q757-I766 VanDerWaalsContact OE1-CD1 3.25Å
758	L	90.3	Very high	86.5	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-60.4	-43.5	173.5	-72.4	171.4	0	0	0	111.3	L713 R714 Y726 F742 I754 I755 K760 G761 I766	L713-L758 HydrophobicContact CD1-CB 4.16Å; L713-L758 HydrophobicContact CD1-CD1 4.27Å; R714-L758 PolarHBondContact NH2-O 2.74Å; Y726-L758 WeakPolarHBondContact OH-CD2 3.49Å; F742-L758 HydrophobicContact CE2-CD1 4.42Å; F742-L758 HydrophobicContact CZ-CD1 3.93Å; F742-L758 HydrophobicContact CZ-CD2 4.24Å; I754-L758 HydrophobicContact CG2-CD1 4.1Å; I754-L758 HydrophobicContact CG2-CG 4.43Å; I754-L758 WeakPolarHBondContact O-CG 3.36Å; I754-L758 PolarHBondContact O-N 2.87Å; I755-L758 PolarHBondContact O-N 2.76Å; L758-K760 VanDerWaalsContact C-N 3.34Å; L758-K760 PolarHBondContact O-N 2.74Å; L758-G761 PolarHBondContact O-N 3.18Å; L758-I766 HydrophobicContact CD2-CG2 3.62Å; L758-I766 VanDerWaalsContact CD2-O 3.32Å; L758-I766 WeakPolarHBondContact CD2-O 3.31Å; L758-I766 HydrophobicContact CG-CG2 3.77Å
759	K	88.9	Confident	86.6	Confident	95 Å²	95	71.3 Å²	71.3	41%	0.413	35%	0.354	S	S	.	.	H	α-helix	trans	-62.8	-38.5	175.4	-74.2	-175.4	-172.7	-151	0	112.3	L713 R714 I755 Y756 Q757 G761	L713-K759 HydrophobicContact CB-CG 3.83Å; L713-K759 WeakPolarHBondContact O-CE 3.05Å; L713-K759 PolarHBondContact O-NZ 2.98Å; L713-K759 VanDerWaalsContact O-NZ 3.07Å; R714-K759 HydrophobicContact CG-CB 4.48Å; R714-K759 PolarHBondContact NE-O 3Å; I755-K759 HydrophobicContact CG2-CD 4.24Å; I755-K759 HydrophobicContact CG2-CG 4.33Å; I755-K759 WeakPolarHBondContact O-CB 3.32Å; I755-K759 WeakPolarHBondContact O-CG 3.37Å; I755-K759 PolarHBondContact O-N 2.98Å; Y756-K759 PolarHBondContact O-N 2.92Å; Q757-K759 VanDerWaalsContact C-N 3.35Å; Q757-K759 PolarHBondContact O-N 2.88Å; K759-G761 VanDerWaalsContact C-N 3.33Å; K759-G761 PolarHBondContact O-N 3.01Å
760	K	87.8	Confident	86.7	Confident	162 Å²	162	70 Å²	70	70%	0.704	35%	0.348	S	S	*	.	H	α-helix	trans	-65.2	-36.3	178.7	-173	177.4	177.4	-178.3	0	112.5	Y756 Q757 L758	Y756-K760 PolarHBondContact O-N 3.1Å; Q757-K760 PolarHBondContact O-N 2.82Å; L758-K760 VanDerWaalsContact C-N 3.34Å; L758-K760 PolarHBondContact O-N 2.74Å
761	G	81.7	Confident	86.5	Confident	16 Å²	16	70.4 Å²	70.4	17%	0.165	36%	0.357	C	S	.	.			trans	59.9	-156.7	-178	0	0	0	0	0	113	Q757 L758 K759	Q757-G761 PolarHBondContact O-N 3.05Å; Q757-G761 VanDerWaalsContact O-N 3.15Å; L758-G761 PolarHBondContact O-N 3.18Å; K759-G761 VanDerWaalsContact C-N 3.33Å; K759-G761 PolarHBondContact O-N 3.01Å
762	G	76.7	Confident	86.3	Confident	53 Å²	53	72.1 Å²	72.1	55%	0.546	37%	0.366	S	S	.	.			trans	116.2	-178.4	178.5	0	0	0	0	0	113.4	N764 A765	G762-N764 PolarHBondContact O-N 3.36Å; G762-A765 PolarHBondContact O-N 2.82Å
763	F	73.7	Confident	85.7	Confident	209 Å²	209	71.7 Å²	71.7	92%	0.917	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.4	-176.4	-164.2	-94.7	0	0	0	113.1
764	N	76.2	Confident	85	Confident	148 Å²	148	76.6 Å²	76.6	79%	0.791	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	50.9	177.4	-65.5	-17.3	0	0	0	111	G762 I766	G762-N764 PolarHBondContact O-N 3.36Å; N764-I766 PolarHBondContact O-N 3.04Å
765	A	82.2	Confident	84.2	Confident	24 Å²	24	80.9 Å²	80.9	20%	0.198	43%	0.426	C	S	.	.			trans	-60.7	133.3	177.4	0	0	0	0	0	110.6	G762 R767	G762-A765 PolarHBondContact O-N 2.82Å; A765-R767 VanDerWaalsContact CB-NH1 3.29Å
766	I	88.8	Confident	83.6	Confident	24 Å²	24	81.6 Å²	81.6	12%	0.123	43%	0.43	C	S	.	.			trans	-61.5	137.4	-179.3	-172.3	167.7	0	0	0	110.7	F742 I754 Q757 L758 N764	F742-I766 HydrophobicContact CE1-CG1 4.3Å; I754-I766 HydrophobicContact CG2-CD1 4.47Å; Q757-I766 HydrophobicContact CB-CG2 3.83Å; Q757-I766 VanDerWaalsContact OE1-CD1 3.25Å; L758-I766 HydrophobicContact CD2-CG2 3.62Å; L758-I766 VanDerWaalsContact CD2-O 3.32Å; L758-I766 WeakPolarHBondContact CD2-O 3.31Å; L758-I766 HydrophobicContact CG-CG2 3.77Å; N764-I766 PolarHBondContact O-N 3.04Å
767	R	90.1	Very high	83.2	Confident	46 Å²	46	82.2 Å²	82.2	17%	0.174	44%	0.439	C	S	.	.			trans	-139.6	158.3	174.4	-65.9	-63.1	-177.1	-85.3	1.2	109.9	A765 W790 E792	A765-R767 VanDerWaalsContact CB-NH1 3.29Å; R767-W790 HydrophobicContact CB-CZ2 4.28Å; R767-W790 VanDerWaalsContact CZ-O 3.31Å; R767-W790 PolarHBondContact NE-O 3.03Å; R767-W790 PolarHBondContact NH2-O 2.82Å; R767-E792 IonicContact CZ-OE2 3.09Å; R767-E792 IonicContact NH1-OE2 2.73Å; R767-E792 IonicContact NH2-OE2 2.6Å; R767-E792 PolarHBondContact NH2-OE2 2.86Å
768	P	90.8	Very high	82.8	Confident	11 Å²	11	80 Å²	80	7%	0.071	43%	0.429	C	S	.	.			trans	-59.1	149.5	173.7	-23.3	34.2	0	0	0	112.5	I730 F742 W790	I730-P768 HydrophobicContact CD1-CG 3.58Å; F742-P768 HydrophobicContact CD1-CG 4.06Å; F742-P768 HydrophobicContact CD2-CG 4.17Å; F742-P768 HydrophobicContact CE1-CG 3.96Å; F742-P768 HydrophobicContact CE2-CG 4.05Å; F742-P768 HydrophobicContact CG-CG 4.16Å; F742-P768 HydrophobicContact CZ-CG 3.95Å; P768-W790 HydrophobicContact CB-CH2 4.02Å; P768-W790 HydrophobicContact CB-CZ3 4.15Å; P768-W790 HydrophobicContact CG-CH2 4.1Å; P768-W790 HydrophobicContact CG-CZ3 3.8Å
769	S	87.9	Confident	82.6	Confident	60 Å²	60	82.8 Å²	82.8	42%	0.42	44%	0.444	S	S	.	.			trans	-68.2	143.4	169.6	-174.8	0	0	0	0	109.7	T737 L771	T737-S769 WeakPolarHBondContact CG2-O 3.47Å; S769-L771 WeakPolarHBondContact OG-CG 3.3Å; S769-L771 PolarHBondContact OG-N 2.82Å
770	L	89.7	Confident	82.6	Confident	25 Å²	25	82.6 Å²	82.6	13%	0.131	45%	0.452	C	S	.	.			trans	-113.4	27.2	174.4	-62.2	174.4	0	0	0	110.8	I736 V783 I786 R787 W790	I736-L770 HydrophobicContact CD1-CB 4.39Å; I736-L770 HydrophobicContact CD1-CD2 3.74Å; I736-L770 HydrophobicContact CG1-CD2 4.4Å; L770-V783 HydrophobicContact CB-CG1 4.3Å; L770-V783 HydrophobicContact CD1-CG1 3.8Å; L770-I786 HydrophobicContact CD1-CB 4.47Å; L770-I786 HydrophobicContact CD1-CG2 4.18Å; L770-I786 HydrophobicContact CD2-CD1 4.35Å; L770-I786 HydrophobicContact CD2-CG2 3.85Å; L770-R787 HydrophobicContact CD1-CG 3.89Å; L770-W790 HydrophobicContact CD1-CH2 3.99Å; L770-W790 HydrophobicContact CD1-CZ2 3.72Å; L770-W790 HydrophobicContact CD2-CH2 3.55Å; L770-W790 HydrophobicContact CD2-CZ2 4.17Å; L770-W790 HydrophobicContact CD2-CZ3 4.42Å; L770-W790 HydrophobicContact CG-CH2 3.84Å; L770-W790 HydrophobicContact CG-CZ2 4.01Å
771	L	85.2	Confident	82.6	Confident	145 Å²	145	76.9 Å²	76.9	76%	0.759	44%	0.435	S	S	*	.			trans	-77.5	123.8	175.9	-67.8	171.5	0	0	0	109.6	S769	S769-L771 WeakPolarHBondContact OG-CG 3.3Å; S769-L771 PolarHBondContact OG-N 2.82Å
772	T	82.7	Confident	83.1	Confident	55 Å²	55	76.5 Å²	76.5	34%	0.337	43%	0.429	S	S	.	.			trans	-114.3	162.4	-176.3	60	0	0	0	0	110	I736 I778	I736-T772 HydrophobicContact CB-CG2 4.41Å; I736-T772 HydrophobicContact CD1-CG2 4.2Å; I736-T772 HydrophobicContact CG1-CG2 4.42Å; T772-I778 HydrophobicContact CG2-CD1 3.46Å; T772-I778 VanDerWaalsContact CG2-CD1 3.46Å; T772-I778 HydrophobicContact CG2-CG1 4.44Å
773	D	78	Confident	83.8	Confident	90 Å²	90	75.3 Å²	75.3	48%	0.481	41%	0.411	S	S	.	.			trans	-63.7	138	174.8	-168.6	-10.1	0	0	0	110.7	R738 A775 L776	R738-D773 IonicContact NH2-OD2 3.64Å; R738-D773 PolarHBondContact NH2-OD2 2.9Å; R738-D773 VanDerWaalsContact NH2-OD2 3.07Å; D773-A775 PolarHBondContact O-N 2.8Å; D773-L776 PolarHBondContact O-N 2.94Å
774	E	74	Confident	84.7	Confident	198 Å²	198	70.4 Å²	70.4	93%	0.925	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26	-175	-69.3	-174.5	173	0	0	112.6	L776	E774-L776 PolarHBondContact O-N 3.42Å
775	A	74.9	Confident	85.6	Confident	91 Å²	91	63.6 Å²	63.6	75%	0.752	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.7	177.4	0	0	0	0	0	113.9	D773	D773-A775 PolarHBondContact O-N 2.8Å
776	L	77.4	Confident	86.2	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.141	35%	0.345	C	S	.	.			trans	-107	107.5	-171.7	-163.2	87.8	0	0	0	111.5	M641 M646 D773 E774 I778	M641-L776 WeakPolarHBondContact O-CD1 3.35Å; M646-L776 HydrophobicContact CE-CD1 4.28Å; M646-L776 HydrophobicContact CE-CD2 3.56Å; M646-L776 HydrophobicContact SD-CD2 3.65Å; D773-L776 PolarHBondContact O-N 2.94Å; E774-L776 PolarHBondContact O-N 3.42Å; L776-I778 HydrophobicContact CD2-CD1 3.62Å; L776-I778 HydrophobicContact CD2-CG1 3.72Å; L776-I778 HydrophobicContact CG-CG1 4.18Å; L776-I778 PolarHBondContact O-N 3.12Å
777	E	79.8	Confident	86.5	Confident	175 Å²	175	67.3 Å²	67.3	82%	0.818	36%	0.362	S	S	*	.			trans	-76.6	92.2	179.1	-64.5	-175.9	170.6	0	0	111.8	S643	S643-E777 WeakPolarHBondContact CB-O 3.38Å; S643-E777 PolarHBondContact OG-O 2.95Å
778	I	82.9	Confident	86.7	Confident	26 Å²	26	68.9 Å²	68.9	13%	0.133	37%	0.374	C	S	.	.			trans	-94.3	132.4	174.9	-52.7	-165.3	0	0	0	110.8	M646 I736 T772 L776 P780 L782 V783	M646-I778 HydrophobicContact SD-CD1 4.49Å; I736-I778 HydrophobicContact CB-CD1 3.56Å; I736-I778 HydrophobicContact CG2-CD1 3.97Å; T772-I778 HydrophobicContact CG2-CD1 3.46Å; T772-I778 VanDerWaalsContact CG2-CD1 3.46Å; T772-I778 HydrophobicContact CG2-CG1 4.44Å; L776-I778 HydrophobicContact CD2-CD1 3.62Å; L776-I778 HydrophobicContact CD2-CG1 3.72Å; L776-I778 HydrophobicContact CG-CG1 4.18Å; L776-I778 PolarHBondContact O-N 3.12Å; I778-P780 WeakPolarHBondContact O-CD 3.21Å; I778-L782 HydrophobicContact CG2-CB 4.43Å; I778-L782 HydrophobicContact CG2-CD2 4.03Å; I778-V783 HydrophobicContact CG2-CG2 4.39Å
779	N	85.1	Confident	86.9	Confident	59 Å²	59	68.3 Å²	68.3	32%	0.316	37%	0.37	S	S	.	.			trans	-58.9	121.4	175.9	-171.4	-35.9	0	0	0	110.8	A781 L782	N779-A781 PolarHBondContact O-N 2.81Å; N779-A781 VanDerWaalsContact O-N 3.09Å; N779-A781 VanDerWaalsContact OD1-CB 3.23Å; N779-A781 WeakPolarHBondContact OD1-CB 3.3Å; N779-A781 PolarHBondContact OD1-N 2.87Å; N779-L782 VanDerWaalsContact O-CB 3.31Å; N779-L782 WeakPolarHBondContact O-CB 3.37Å; N779-L782 PolarHBondContact O-N 2.86Å
780	P	88.1	Confident	87.2	Confident	90 Å²	90	66.1 Å²	66.1	58%	0.584	35%	0.353	S	S	*	.	H	α-helix	trans	-55.8	-30.1	179.7	-27.1	35.1	0	0	0	113.8	I778 L782 V783 H784	I778-P780 WeakPolarHBondContact O-CD 3.21Å; P780-L782 VanDerWaalsContact C-N 3.25Å; P780-L782 PolarHBondContact O-N 2.81Å; P780-V783 WeakPolarHBondContact O-CB 3.44Å; P780-V783 PolarHBondContact O-N 3.02Å; P780-V783 VanDerWaalsContact O-N 3.16Å; P780-H784 PolarHBondContact O-CD2 2.8Å; P780-H784 PolarHBondContact O-N 2.89Å; P780-H784 VanDerWaalsContact O-N 3.07Å
781	A	89.5	Confident	87.3	Confident	43 Å²	43	66.4 Å²	66.4	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-31.4	176.7	0	0	0	0	0	112.5	N779 H784 L785 M810	N779-A781 PolarHBondContact O-N 2.81Å; N779-A781 VanDerWaalsContact O-N 3.09Å; N779-A781 VanDerWaalsContact OD1-CB 3.23Å; N779-A781 WeakPolarHBondContact OD1-CB 3.3Å; N779-A781 PolarHBondContact OD1-N 2.87Å; A781-H784 PolarHBondContact O-N 2.81Å; A781-L785 WeakPolarHBondContact O-CB 3.11Å; A781-L785 PolarHBondContact O-N 3.32Å; A781-M810 VanDerWaalsContact C-CE 3.49Å; A781-M810 HydrophobicContact CB-CE 3.81Å; A781-M810 HydrophobicContact CB-CG 4.29Å; A781-M810 HydrophobicContact CB-SD 4.31Å; A781-M810 WeakPolarHBondContact O-CE 3.33Å
782	L	91.2	Very high	87.5	Confident	8 Å²	8	61.8 Å²	61.8	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-42	174.4	-177.5	60.3	0	0	0	110.8	L647 I650 I736 I778 N779 P780 H784 L785 I786 L807 M810	L647-L782 HydrophobicContact CD1-CD2 4.43Å; I650-L782 HydrophobicContact CD1-CD1 4.26Å; I650-L782 HydrophobicContact CD1-CD2 3.89Å; I650-L782 HydrophobicContact CG2-CD1 4.47Å; I736-L782 HydrophobicContact CG2-CD2 3.95Å; I778-L782 HydrophobicContact CG2-CB 4.43Å; I778-L782 HydrophobicContact CG2-CD2 4.03Å; N779-L782 VanDerWaalsContact O-CB 3.31Å; N779-L782 WeakPolarHBondContact O-CB 3.37Å; N779-L782 PolarHBondContact O-N 2.86Å; P780-L782 VanDerWaalsContact C-N 3.25Å; P780-L782 PolarHBondContact O-N 2.81Å; L782-H784 VanDerWaalsContact C-N 3.33Å; L782-H784 PolarHBondContact O-N 3.17Å; L782-L785 PolarHBondContact O-N 3.38Å; L782-I786 HydrophobicContact CG-CD1 4.24Å; L782-I786 VanDerWaalsContact O-CG1 3.26Å; L782-I786 WeakPolarHBondContact O-CG1 3.37Å; L782-I786 PolarHBondContact O-N 2.83Å; L782-L807 HydrophobicContact CD1-CD2 3.75Å; L782-M810 HydrophobicContact CB-SD 3.81Å; L782-M810 HydrophobicContact CD1-SD 4.22Å
783	V	91.9	Very high	87.8	Confident	27 Å²	27	64.8 Å²	64.8	16%	0.164	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-40.7	177	-178.5	0	0	0	0	111	L770 I778 P780 R787	L770-V783 HydrophobicContact CB-CG1 4.3Å; L770-V783 HydrophobicContact CD1-CG1 3.8Å; I778-V783 HydrophobicContact CG2-CG2 4.39Å; P780-V783 WeakPolarHBondContact O-CB 3.44Å; P780-V783 PolarHBondContact O-N 3.02Å; P780-V783 VanDerWaalsContact O-N 3.16Å; V783-R787 WeakPolarHBondContact O-CG 3.27Å; V783-R787 PolarHBondContact O-N 2.81Å
784	H	92.9	Very high	88.5	Confident	107 Å²	107	61.8 Å²	61.8	50%	0.495	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-45.3	173.9	-78.1	-73.6	0	0	0	112.4	P780 A781 L782 I786 R787 D788	P780-H784 PolarHBondContact O-CD2 2.8Å; P780-H784 PolarHBondContact O-N 2.89Å; P780-H784 VanDerWaalsContact O-N 3.07Å; A781-H784 PolarHBondContact O-N 2.81Å; L782-H784 VanDerWaalsContact C-N 3.33Å; L782-H784 PolarHBondContact O-N 3.17Å; H784-I786 VanDerWaalsContact C-N 3.31Å; H784-I786 PolarHBondContact O-N 2.97Å; H784-R787 WeakPolarHBondContact O-CA 3.46Å; H784-R787 WeakPolarHBondContact O-CB 3.49Å; H784-R787 PolarHBondContact O-N 2.78Å; H784-D788 PolarHBondContact O-N 3.29Å
785	L	94.3	Very high	89.3	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-58.1	-43	176.7	176.3	60.3	0	0	0	112.2	A781 L782 R787 D788 C789 P798 V803 L806 L807 M810	A781-L785 WeakPolarHBondContact O-CB 3.11Å; A781-L785 PolarHBondContact O-N 3.32Å; L782-L785 PolarHBondContact O-N 3.38Å; L785-R787 VanDerWaalsContact C-N 3.25Å; L785-R787 PolarHBondContact O-N 2.81Å; L785-D788 PolarHBondContact O-N 3.16Å; L785-C789 PolarHBondContact O-N 3.4Å; L785-C789 PolarHBondContact O-SG 3.44Å; L785-P798 HydrophobicContact CD1-CG 4.43Å; L785-V803 HydrophobicContact CD1-CG1 4.4Å; L785-V803 HydrophobicContact CD1-CG2 4.25Å; L785-V803 HydrophobicContact CD2-CG1 4.24Å; L785-L806 HydrophobicContact CD1-CD1 3.82Å; L785-L806 HydrophobicContact CD2-CB 4.34Å; L785-L807 HydrophobicContact CD2-CD2 3.75Å; L785-L807 HydrophobicContact CD2-CG 3.83Å; L785-M810 HydrophobicContact CB-CE 4.18Å; L785-M810 HydrophobicContact CD2-CE 3.9Å
786	I	94.8	Very high	90.2	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-40.6	176.2	-66.6	167.3	0	0	0	110.6	G729 C732 I736 L770 L782 H784 C789 W790	G729-I786 WeakPolarHBondContact O-CG2 3.5Å; C732-I786 HydrophobicContact CB-CD1 3.7Å; C732-I786 HydrophobicContact CB-CG1 3.55Å; I736-I786 HydrophobicContact CD1-CD1 3.75Å; I736-I786 HydrophobicContact CG1-CD1 4.26Å; I736-I786 HydrophobicContact CG2-CD1 4.35Å; L770-I786 HydrophobicContact CD1-CB 4.47Å; L770-I786 HydrophobicContact CD1-CG2 4.18Å; L770-I786 HydrophobicContact CD2-CD1 4.35Å; L770-I786 HydrophobicContact CD2-CG2 3.85Å; L782-I786 HydrophobicContact CG-CD1 4.24Å; L782-I786 VanDerWaalsContact O-CG1 3.26Å; L782-I786 WeakPolarHBondContact O-CG1 3.37Å; L782-I786 PolarHBondContact O-N 2.83Å; H784-I786 VanDerWaalsContact C-N 3.31Å; H784-I786 PolarHBondContact O-N 2.97Å; I786-C789 PolarHBondContact O-N 3.37Å; I786-W790 HydrophobicContact CG2-CD2 4.14Å; I786-W790 HydrophobicContact CG2-CE3 3.76Å; I786-W790 HydrophobicContact CG2-CH2 3.49Å; I786-W790 VanDerWaalsContact CG2-CH2 3.49Å; I786-W790 HydrophobicContact CG2-CZ2 3.83Å; I786-W790 HydrophobicContact CG2-CZ3 3.42Å; I786-W790 VanDerWaalsContact CG2-CZ3 3.42Å; I786-W790 PolarHBondContact O-N 3.4Å
787	R	94.4	Very high	91	Very high	125 Å²	125	57.4 Å²	57.4	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-65	-38.7	177.5	-70.7	173.6	176	158.9	0.5	113.1	L770 V783 H784 L785 W790	L770-R787 HydrophobicContact CD1-CG 3.89Å; V783-R787 WeakPolarHBondContact O-CG 3.27Å; V783-R787 PolarHBondContact O-N 2.81Å; H784-R787 WeakPolarHBondContact O-CA 3.46Å; H784-R787 WeakPolarHBondContact O-CB 3.49Å; H784-R787 PolarHBondContact O-N 2.78Å; L785-R787 VanDerWaalsContact C-N 3.25Å; L785-R787 PolarHBondContact O-N 2.81Å; R787-W790 HydrophobicContact CG-CZ2 4.48Å
788	D	94.7	Very high	91.8	Very high	78 Å²	78	49.6 Å²	49.6	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-69.4	-37.9	178.1	-63.6	-18.7	0	0	0	111.6	H784 L785 W790 T791 P798	H784-D788 PolarHBondContact O-N 3.29Å; L785-D788 PolarHBondContact O-N 3.16Å; D788-W790 VanDerWaalsContact C-N 3.29Å; D788-W790 PolarHBondContact O-N 3.12Å; D788-T791 WeakPolarHBondContact O-CG2 3.34Å; D788-T791 PolarHBondContact O-N 3.29Å; D788-T791 PolarHBondContact O-OG1 3.49Å; D788-T791 VanDerWaalsContact O-OG1 3.09Å; D788-P798 HydrophobicContact CB-CG 4.33Å; D788-P798 WeakPolarHBondContact O-CD 3.39Å
789	C	95.4	Very high	92.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-31.1	179.7	-74.2	0	0	0	0	113.8	I725 Y726 L785 I786 R797	I725-C789 CarbonylContact C-O 3.54Å; I725-C789 HydrophobicContact CG2-CB 3.89Å; Y726-C789 VanDerWaalsContact CA-O 3.31Å; Y726-C789 WeakPolarHBondContact CA-O 3.4Å; Y726-C789 PolarHBondContact N-O 3.24Å; L785-C789 PolarHBondContact O-N 3.4Å; L785-C789 PolarHBondContact O-SG 3.44Å; I786-C789 PolarHBondContact O-N 3.37Å; C789-R797 VanDerWaalsContact O-CD 3.3Å; C789-R797 WeakPolarHBondContact O-CD 3.37Å; C789-R797 WeakPolarHBondContact O-CG 3.43Å
790	W	93.2	Very high	92.9	Very high	14 Å²	14	49.7 Å²	49.7	5%	0.053	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	25	-177.2	64.1	32.2	0	0	0	114.4	Y726 G729 I730 R767 P768 L770 I786 R787 D788	Y726-W790 HydrophobicContact CD2-CB 3.65Å; Y726-W790 HydrophobicContact CE2-CB 3.69Å; Y726-W790 HydrophobicContact CG-CB 4.38Å; G729-W790 WeakPolarHBondContact O-CZ3 3.49Å; I730-W790 HydrophobicContact CD1-CE3 3.77Å; I730-W790 HydrophobicContact CD1-CZ3 4.14Å; R767-W790 HydrophobicContact CB-CZ2 4.28Å; R767-W790 VanDerWaalsContact CZ-O 3.31Å; R767-W790 PolarHBondContact NE-O 3.03Å; R767-W790 PolarHBondContact NH2-O 2.82Å; P768-W790 HydrophobicContact CB-CH2 4.02Å; P768-W790 HydrophobicContact CB-CZ3 4.15Å; P768-W790 HydrophobicContact CG-CH2 4.1Å; P768-W790 HydrophobicContact CG-CZ3 3.8Å; L770-W790 HydrophobicContact CD1-CH2 3.99Å; L770-W790 HydrophobicContact CD1-CZ2 3.72Å; L770-W790 HydrophobicContact CD2-CH2 3.55Å; L770-W790 HydrophobicContact CD2-CZ2 4.17Å; L770-W790 HydrophobicContact CD2-CZ3 4.42Å; L770-W790 HydrophobicContact CG-CH2 3.84Å; L770-W790 HydrophobicContact CG-CZ2 4.01Å; I786-W790 HydrophobicContact CG2-CD2 4.14Å; I786-W790 HydrophobicContact CG2-CE3 3.76Å; I786-W790 HydrophobicContact CG2-CH2 3.49Å; I786-W790 VanDerWaalsContact CG2-CH2 3.49Å; I786-W790 HydrophobicContact CG2-CZ2 3.83Å; I786-W790 HydrophobicContact CG2-CZ3 3.42Å; I786-W790 VanDerWaalsContact CG2-CZ3 3.42Å; I786-W790 PolarHBondContact O-N 3.4Å; R787-W790 HydrophobicContact CG-CZ2 4.48Å; D788-W790 VanDerWaalsContact C-N 3.29Å; D788-W790 PolarHBondContact O-N 3.12Å
791	T	92	Very high	93.2	Very high	30 Å²	30	49.7 Å²	49.7	18%	0.184	26%	0.263	C	S	.	.			trans	-57.5	150.9	174.2	48.7	0	0	0	0	111.7	D788 R797	D788-T791 WeakPolarHBondContact O-CG2 3.34Å; D788-T791 PolarHBondContact O-N 3.29Å; D788-T791 PolarHBondContact O-OG1 3.49Å; D788-T791 VanDerWaalsContact O-OG1 3.09Å; T791-R797 PolarHBondContact O-NE 3.26Å; T791-R797 PolarHBondContact O-NH2 2.95Å; T791-R797 VanDerWaalsContact O-NH2 3.1Å; T791-R797 WeakPolarHBondContact OG1-CG 3.44Å
792	E	89.7	Confident	93.4	Very high	49 Å²	49	52.5 Å²	52.5	23%	0.229	27%	0.268	C	S	.	.	S	Bend	trans	-67	-37.8	-172.4	-173.6	60.2	-157	0	0	112.9	R714 R767	R714-E792 IonicContact CZ-OE1 2.79Å; R714-E792 IonicContact NH1-OE1 2.67Å; R714-E792 PolarHBondContact NH1-OE1 2.8Å; R714-E792 IonicContact NH2-OE1 2.73Å; R714-E792 PolarHBondContact NH2-OE1 3.11Å; R767-E792 IonicContact CZ-OE2 3.09Å; R767-E792 IonicContact NH1-OE2 2.73Å; R767-E792 IonicContact NH2-OE2 2.6Å; R767-E792 PolarHBondContact NH2-OE2 2.86Å
793	K	89.8	Confident	93.6	Very high	118 Å²	118	52.1 Å²	52.1	51%	0.513	27%	0.266	S	S	.	.	S	Bend	trans	-89.2	127.8	175.5	-64.3	-168.8	-151.7	138.4	0	110.4	S795 E796	K793-S795 VanDerWaalsContact C-N 3.26Å; K793-S795 PolarHBondContact O-N 3.37Å; K793-E796 HydrophobicContact CB-CB 4.4Å; K793-E796 HydrophobicContact CB-CG 4.07Å; K793-E796 WeakPolarHBondContact CD-OE1 3.43Å; K793-E796 IonicContact NZ-OE1 2.95Å; K793-E796 PolarHBondContact NZ-OE1 2.95Å; K793-E796 PolarHBondContact O-N 3.46Å; K793-E796 VanDerWaalsContact O-N 3.14Å
794	P	91.7	Very high	93.7	Very high	26 Å²	26	53.6 Å²	53.6	17%	0.169	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-56.7	-38.2	179.7	-26	34.5	0	0	0	113.6	E711 E722 E796 R797	E711-P794 HydrophobicContact CB-CG 4.21Å; E711-P794 HydrophobicContact CG-CG 3.73Å; E722-P794 HydrophobicContact CB-CB 3.92Å; E722-P794 HydrophobicContact CG-CB 4.36Å; P794-E796 PolarHBondContact O-N 3.01Å; P794-R797 WeakPolarHBondContact O-CB 3.48Å; P794-R797 PolarHBondContact O-N 3.24Å
795	S	91.6	Very high	93.6	Very high	107 Å²	107	52.3 Å²	52.3	75%	0.748	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-69.2	-15.3	-178.3	61.7	0	0	0	0	114.9	K793	K793-S795 VanDerWaalsContact C-N 3.26Å; K793-S795 PolarHBondContact O-N 3.37Å
796	E	93.1	Very high	93.5	Very high	105 Å²	105	55.6 Å²	55.6	49%	0.491	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-91.5	-9.1	178.9	-68.2	174.5	-175	0	0	112	K793 P794	K793-E796 HydrophobicContact CB-CB 4.4Å; K793-E796 HydrophobicContact CB-CG 4.07Å; K793-E796 WeakPolarHBondContact CD-OE1 3.43Å; K793-E796 IonicContact NZ-OE1 2.95Å; K793-E796 PolarHBondContact NZ-OE1 2.95Å; K793-E796 PolarHBondContact O-N 3.46Å; K793-E796 VanDerWaalsContact O-N 3.14Å; P794-E796 PolarHBondContact O-N 3.01Å
797	R	94.8	Very high	93.3	Very high	13 Å²	13	55.5 Å²	55.5	5%	0.049	29%	0.289	C	S	.	.	S	Bend	trans	-76.1	138.4	178	-61.1	174.7	-167.2	152.1	10.3	110.1	E711 E722 I725 C789 T791 P794	E711-R797 IonicContact OE1-CZ 2.69Å; E711-R797 IonicContact OE1-NH1 3.59Å; E711-R797 PolarHBondContact OE1-NH1 3.11Å; E711-R797 IonicContact OE1-NH2 3.84Å; E711-R797 PolarHBondContact OE1-NH2 3.3Å; E711-R797 IonicContact OE2-CZ 2.73Å; E711-R797 IonicContact OE2-NH1 3.54Å; E711-R797 IonicContact OE2-NH2 3.53Å; E711-R797 PolarHBondContact OE2-NH2 3.09Å; E722-R797 WeakPolarHBondContact O-CD 3.41Å; E722-R797 PolarHBondContact O-NH1 3.49Å; I725-R797 HydrophobicContact CG2-CB 4.05Å; C789-R797 VanDerWaalsContact O-CD 3.3Å; C789-R797 WeakPolarHBondContact O-CD 3.37Å; C789-R797 WeakPolarHBondContact O-CG 3.43Å; T791-R797 PolarHBondContact O-NE 3.26Å; T791-R797 PolarHBondContact O-NH2 2.95Å; T791-R797 VanDerWaalsContact O-NH2 3.1Å; T791-R797 WeakPolarHBondContact OG1-CG 3.44Å; P794-R797 WeakPolarHBondContact O-CB 3.48Å; P794-R797 PolarHBondContact O-N 3.24Å
798	P	95.7	Very high	92.9	Very high	11 Å²	11	57.4 Å²	57.4	7%	0.071	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-66.7	139.6	179.7	27	-34.3	0	0	0	111.1	L785 D788 Q802 V803	L785-P798 HydrophobicContact CD1-CG 4.43Å; D788-P798 HydrophobicContact CB-CG 4.33Å; D788-P798 WeakPolarHBondContact O-CD 3.39Å; P798-Q802 HydrophobicContact CB-CB 4.35Å; P798-Q802 HydrophobicContact CB-CG 4.4Å; P798-V803 HydrophobicContact CB-CG2 4.06Å; P798-V803 HydrophobicContact CG-CG2 3.76Å
799	P	95.5	Very high	92.2	Very high	79 Å²	79	56.9 Å²	56.9	51%	0.513	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-64.3	153.3	171.2	28.1	-34.8	0	0	0	110.7	D801 Q802 V803	P799-D801 PolarHBondContact O-N 2.88Å; P799-D801 VanDerWaalsContact O-N 3.08Å; P799-Q802 HydrophobicContact CG-CB 4.03Å; P799-Q802 WeakPolarHBondContact O-CA 3.43Å; P799-Q802 WeakPolarHBondContact O-CB 3.42Å; P799-Q802 PolarHBondContact O-N 2.86Å; P799-V803 PolarHBondContact O-N 3.49Å; P799-V803 VanDerWaalsContact O-N 3.13Å
800	I	95.8	Very high	91.7	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-31.7	-174.1	-166.8	53.2	0	0	0	113.9	A654 L657 H661 I725 Q802 V803 R804	A654-I800 HydrophobicContact CB-CD1 4.46Å; L657-I800 HydrophobicContact CB-CD1 4.15Å; L657-I800 HydrophobicContact CB-CG1 4.4Å; L657-I800 HydrophobicContact CD2-CD1 3.95Å; L657-I800 HydrophobicContact CG-CD1 4.16Å; L657-I800 HydrophobicContact CG-CG1 4.36Å; H661-I800 HydrophobicContact CB-CG2 3.93Å; H661-I800 WeakPolarHBondContact ND1-CG2 3.46Å; I725-I800 HydrophobicContact CD1-CB 4Å; I725-I800 HydrophobicContact CD1-CD1 3.93Å; I725-I800 HydrophobicContact CD1-CG1 4.48Å; I800-Q802 VanDerWaalsContact C-N 3.35Å; I800-V803 HydrophobicContact CD1-CB 4.26Å; I800-V803 HydrophobicContact CD1-CG1 4.42Å; I800-V803 PolarHBondContact O-N 3.12Å; I800-R804 HydrophobicContact CG1-CG 4.48Å; I800-R804 WeakPolarHBondContact O-CB 3.31Å; I800-R804 VanDerWaalsContact O-CG 3.28Å; I800-R804 WeakPolarHBondContact O-CG 3.12Å; I800-R804 PolarHBondContact O-N 3.47Å
801	D	94.2	Very high	90.5	Very high	91 Å²	91	58.7 Å²	58.7	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-68.3	-34.8	177.4	-68.1	-40.7	0	0	0	112.3	P799 R804 S805	P799-D801 PolarHBondContact O-N 2.88Å; P799-D801 VanDerWaalsContact O-N 3.08Å; D801-R804 IonicContact OD1-NH1 3.81Å; D801-S805 WeakPolarHBondContact O-CB 3.47Å; D801-S805 PolarHBondContact O-N 3.22Å
802	Q	94.6	Very high	88.9	Confident	101 Å²	101	64.2 Å²	64.2	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-69.2	-43	172.5	-172.8	177.1	7.5	0	0	110.8	P798 P799 I800 R804 S805 L806	P798-Q802 HydrophobicContact CB-CB 4.35Å; P798-Q802 HydrophobicContact CB-CG 4.4Å; P799-Q802 HydrophobicContact CG-CB 4.03Å; P799-Q802 WeakPolarHBondContact O-CA 3.43Å; P799-Q802 WeakPolarHBondContact O-CB 3.42Å; P799-Q802 PolarHBondContact O-N 2.86Å; I800-Q802 VanDerWaalsContact C-N 3.35Å; Q802-R804 PolarHBondContact O-N 2.91Å; Q802-S805 WeakPolarHBondContact O-CB 3.26Å; Q802-S805 PolarHBondContact O-N 3.07Å; Q802-L806 HydrophobicContact CG-CD1 4.23Å; Q802-L806 WeakPolarHBondContact O-CG 3.43Å; Q802-L806 PolarHBondContact O-N 3.18Å
803	V	95.2	Very high	87.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-57.2	-48.9	174.8	177	0	0	0	0	110.7	A654 F728 L785 P798 P799 I800 S805 L806 L807	A654-V803 HydrophobicContact CB-CG1 4.49Å; F728-V803 HydrophobicContact CD1-CG1 4.28Å; F728-V803 HydrophobicContact CE1-CG1 3.53Å; F728-V803 HydrophobicContact CZ-CG1 4.02Å; L785-V803 HydrophobicContact CD1-CG1 4.4Å; L785-V803 HydrophobicContact CD1-CG2 4.25Å; L785-V803 HydrophobicContact CD2-CG1 4.24Å; P798-V803 HydrophobicContact CB-CG2 4.06Å; P798-V803 HydrophobicContact CG-CG2 3.76Å; P799-V803 PolarHBondContact O-N 3.49Å; P799-V803 VanDerWaalsContact O-N 3.13Å; I800-V803 HydrophobicContact CD1-CB 4.26Å; I800-V803 HydrophobicContact CD1-CG1 4.42Å; I800-V803 PolarHBondContact O-N 3.12Å; V803-S805 VanDerWaalsContact C-N 3.32Å; V803-S805 PolarHBondContact O-N 3.27Å; V803-L806 PolarHBondContact O-N 3.2Å; V803-L807 HydrophobicContact CG1-CD1 4.01Å; V803-L807 WeakPolarHBondContact O-CG 3.33Å; V803-L807 PolarHBondContact O-N 3.49Å
804	R	93.7	Very high	85.8	Confident	58 Å²	58	66.8 Å²	66.8	22%	0.219	38%	0.378	C	S	.	.	H	α-helix	trans	-62.2	-38.3	177.1	-71.5	171.5	71.9	-156.9	8.5	112.3	A654 N655 I800 D801 Q802 R808	A654-R804 HydrophobicContact CB-CG 4.03Å; A654-R804 WeakPolarHBondContact O-CD 3.01Å; N655-R804 PolarHBondContact OD1-NE 2.84Å; N655-R804 PolarHBondContact OD1-NH2 3.16Å; I800-R804 HydrophobicContact CG1-CG 4.48Å; I800-R804 WeakPolarHBondContact O-CB 3.31Å; I800-R804 VanDerWaalsContact O-CG 3.28Å; I800-R804 WeakPolarHBondContact O-CG 3.12Å; I800-R804 PolarHBondContact O-N 3.47Å; D801-R804 IonicContact OD1-NH1 3.81Å; Q802-R804 PolarHBondContact O-N 2.91Å; R804-R808 VanDerWaalsContact O-CG 3.31Å; R804-R808 WeakPolarHBondContact O-CG 3.12Å; R804-R808 PolarHBondContact O-N 2.86Å
805	S	91.6	Very high	84.1	Confident	80 Å²	80	75.4 Å²	75.4	56%	0.559	41%	0.413	S	S	*	.	H	α-helix	trans	-64.6	-46.3	176.5	-179	0	0	0	0	111.8	D801 Q802 V803 R808 G809	D801-S805 WeakPolarHBondContact O-CB 3.47Å; D801-S805 PolarHBondContact O-N 3.22Å; Q802-S805 WeakPolarHBondContact O-CB 3.26Å; Q802-S805 PolarHBondContact O-N 3.07Å; V803-S805 VanDerWaalsContact C-N 3.32Å; V803-S805 PolarHBondContact O-N 3.27Å; S805-R808 PolarHBondContact O-N 3.46Å; S805-G809 PolarHBondContact O-N 3.48Å
806	L	91.6	Very high	82.5	Confident	73 Å²	73	72 Å²	72	38%	0.382	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-45.2	177.5	-70.2	170.9	0	0	0	111.7	L785 Q802 V803 R808 G809 M810	L785-L806 HydrophobicContact CD1-CD1 3.82Å; L785-L806 HydrophobicContact CD2-CB 4.34Å; Q802-L806 HydrophobicContact CG-CD1 4.23Å; Q802-L806 WeakPolarHBondContact O-CG 3.43Å; Q802-L806 PolarHBondContact O-N 3.18Å; V803-L806 PolarHBondContact O-N 3.2Å; L806-R808 VanDerWaalsContact C-N 3.31Å; L806-R808 PolarHBondContact O-N 2.75Å; L806-G809 PolarHBondContact O-N 3.39Å; L806-M810 HydrophobicContact CB-CE 4.19Å; L806-M810 WeakPolarHBondContact O-CG 3.45Å; L806-M810 PolarHBondContact O-N 3.34Å
807	L	90.8	Very high	81.3	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-62.8	-35	176.9	-70.3	171.5	0	0	0	112.9	L647 I650 A654 F728 L782 L785 V803 G809 M810	L647-L807 HydrophobicContact CD1-CD2 3.97Å; I650-L807 HydrophobicContact CG2-CD1 3.92Å; I650-L807 HydrophobicContact CG2-CD2 3.83Å; A654-L807 HydrophobicContact CB-CD1 3.55Å; F728-L807 HydrophobicContact CZ-CD1 4.15Å; L782-L807 HydrophobicContact CD1-CD2 3.75Å; L785-L807 HydrophobicContact CD2-CD2 3.75Å; L785-L807 HydrophobicContact CD2-CG 3.83Å; V803-L807 HydrophobicContact CG1-CD1 4.01Å; V803-L807 WeakPolarHBondContact O-CG 3.33Å; V803-L807 PolarHBondContact O-N 3.49Å; L807-G809 VanDerWaalsContact C-N 3.28Å; L807-G809 PolarHBondContact O-N 3.45Å; L807-M810 HydrophobicContact CD2-SD 4.21Å; L807-M810 PolarHBondContact O-N 3.33Å
808	R	85.9	Confident	80.1	Confident	164 Å²	164	70.4 Å²	70.4	62%	0.619	39%	0.39	S	S	*	.	H	α-helix	trans	-63.8	-33.8	173.2	-78.6	178.1	-174.8	-160.1	2	112.2	R804 S805 L806	R804-R808 VanDerWaalsContact O-CG 3.31Å; R804-R808 WeakPolarHBondContact O-CG 3.12Å; R804-R808 PolarHBondContact O-N 2.86Å; S805-R808 PolarHBondContact O-N 3.46Å; L806-R808 VanDerWaalsContact C-N 3.31Å; L806-R808 PolarHBondContact O-N 2.75Å
809	G	81.3	Confident	79	Confident	67 Å²	67	72.1 Å²	72.1	69%	0.691	40%	0.398	S	S	*	.	H	α-helix	trans	-76.3	-18.7	178.7	0	0	0	0	0	114.9	S805 L806 L807 N811	S805-G809 PolarHBondContact O-N 3.48Å; L806-G809 PolarHBondContact O-N 3.39Å; L807-G809 VanDerWaalsContact C-N 3.28Å; L807-G809 PolarHBondContact O-N 3.45Å; G809-N811 VanDerWaalsContact C-N 3.32Å
810	M	83.4	Confident	78	Confident	15 Å²	15	72.2 Å²	72.2	7%	0.074	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.1	179.9	-65.1	174.5	-160.3	0	0	113.9	L647 A781 L782 L785 L806 L807	L647-M810 HydrophobicContact CD1-CB 4.45Å; L647-M810 HydrophobicContact CD2-CB 4.3Å; A781-M810 VanDerWaalsContact C-CE 3.49Å; A781-M810 HydrophobicContact CB-CE 3.81Å; A781-M810 HydrophobicContact CB-CG 4.29Å; A781-M810 HydrophobicContact CB-SD 4.31Å; A781-M810 WeakPolarHBondContact O-CE 3.33Å; L782-M810 HydrophobicContact CB-SD 3.81Å; L782-M810 HydrophobicContact CD1-SD 4.22Å; L785-M810 HydrophobicContact CB-CE 4.18Å; L785-M810 HydrophobicContact CD2-CE 3.9Å; L806-M810 HydrophobicContact CB-CE 4.19Å; L806-M810 WeakPolarHBondContact O-CG 3.45Å; L806-M810 PolarHBondContact O-N 3.34Å; L807-M810 HydrophobicContact CD2-SD 4.21Å; L807-M810 PolarHBondContact O-N 3.33Å
811	N	68	Low	76.8	Confident	37 Å²	37	74.3 Å²	74.3	20%	0.198	40%	0.404	C	S	.	.	S	Bend	trans	-93.3	117.4	-174.1	-155.2	35.7	0	0	0	110.1	L647 G809 G813 K814	L647-N811 HydrophobicContact CD2-CB 4.35Å; G809-N811 VanDerWaalsContact C-N 3.32Å; N811-G813 PolarHBondContact O-N 3.29Å; N811-K814 PolarHBondContact ND2-O 3.33Å
812	D	59.8	Low	75.7	Confident	147 Å²	147	71.1 Å²	71.1	79%	0.786	39%	0.387	S	S	*	.			trans	-71.8	57	-176	-71.3	-28	0	0	0	113.9	K814	D812-K814 PolarHBondContact O-N 3.47Å
813	G	56.4	Low	74.8	Confident	69 Å²	69	71.8 Å²	71.8	71%	0.711	39%	0.389	S	S	*	.	S	Bend	trans	67.7	-10.2	171	0	0	0	0	0	116.2	N811 K815	N811-G813 PolarHBondContact O-N 3.29Å; G813-K815 PolarHBondContact O-N 3.37Å
814	K	57	Low	73.6	Confident	151 Å²	151	76 Å²	76	66%	0.657	41%	0.411	S	S	*	.			trans	-76	94.6	177.9	-67.2	-176.5	-177.4	178.5	0	110.1	F644 N811 D812 G816	F644-K814 HydrophobicContact CE2-CB 4.41Å; N811-K814 PolarHBondContact ND2-O 3.33Å; D812-K814 PolarHBondContact O-N 3.47Å; K814-G816 PolarHBondContact O-N 3.47Å; K814-G816 VanDerWaalsContact O-N 3.09Å
815	K	55.3	Low	72.5	Confident	208 Å²	208	76.8 Å²	76.8	90%	0.904	42%	0.418	S	S	*	.			trans	-76.2	29.8	172.2	-68.4	-175	178	177.1	0	113.2	G813	G813-K815 PolarHBondContact O-N 3.37Å
816	G	58.3	Low	71.4	Confident	35 Å²	35	75.7 Å²	75.7	36%	0.361	41%	0.406	S	S	.	.			trans	-71.9	142.7	179.1	0	0	0	0	0	111.9	K814	K814-G816 PolarHBondContact O-N 3.47Å; K814-G816 VanDerWaalsContact O-N 3.09Å
817	N	67.3	Low	70.5	Confident	74 Å²	74	78.3 Å²	78.3	40%	0.396	42%	0.416	S	S	.	.			trans	-67	140.2	163.7	-174.2	3	0	0	0	108.3	M819 D820 H821	N817-M819 PolarHBondContact O-N 3.44Å; N817-D820 HydrophobicContact CB-CB 4.34Å; N817-D820 WeakPolarHBondContact CB-OD2 3.34Å; N817-D820 WeakPolarHBondContact O-CB 3.48Å; N817-D820 PolarHBondContact O-N 3.39Å; N817-H821 PolarHBondContact O-N 2.93Å; N817-H821 VanDerWaalsContact O-N 3.07Å
818	L	71.6	Confident	69.6	Low	11 Å²	11	82.3 Å²	82.3	6%	0.058	44%	0.441	C	S	.	.	H	α-helix	trans	-59	-35.7	-179.7	-175.7	60	0	0	0	111.6	F644 F645 L649 W682 H821 V822	F644-L818 HydrophobicContact CD1-CD1 4.23Å; F644-L818 HydrophobicContact CE1-CD1 4.04Å; F645-L818 HydrophobicContact CB-CD1 4.24Å; F645-L818 HydrophobicContact CD2-CD1 3.43Å; F645-L818 VanDerWaalsContact CD2-CD1 3.43Å; F645-L818 HydrophobicContact CD2-CD2 4.12Å; F645-L818 HydrophobicContact CD2-CG 4.01Å; F645-L818 HydrophobicContact CE2-CD1 3.9Å; F645-L818 HydrophobicContact CE2-CD2 3.81Å; F645-L818 HydrophobicContact CE2-CG 3.95Å; F645-L818 HydrophobicContact CG-CD1 4.05Å; F645-L818 HydrophobicContact CZ-CD2 4.17Å; L649-L818 HydrophobicContact CD2-CD2 4.26Å; W682-L818 HydrophobicContact CB-CD2 3.93Å; W682-L818 HydrophobicContact CB-CG 4.34Å; W682-L818 WeakPolarHBondContact O-CD2 3.34Å; L818-H821 WeakPolarHBondContact O-CB 3.47Å; L818-H821 PolarHBondContact O-N 3.36Å; L818-V822 WeakPolarHBondContact O-CG2 3.35Å; L818-V822 PolarHBondContact O-N 2.85Å
819	M	71.5	Confident	68.8	Low	47 Å²	47	82.3 Å²	82.3	23%	0.232	44%	0.442	C	S	.	.	H	α-helix	trans	-60.5	-43.3	174.2	178	-177.4	-79.4	0	0	112.1	R681 N817 H821 V822 F823	R681-M819 VanDerWaalsContact CA-CE 3.43Å; R681-M819 HydrophobicContact CB-CE 3.5Å; R681-M819 VanDerWaalsContact CB-CE 3.5Å; R681-M819 HydrophobicContact CG-CE 3.54Å; N817-M819 PolarHBondContact O-N 3.44Å; M819-H821 VanDerWaalsContact C-N 3.31Å; M819-H821 PolarHBondContact O-N 3.25Å; M819-V822 PolarHBondContact O-N 3.01Å; M819-F823 HydrophobicContact CG-CD2 3.51Å; M819-F823 HydrophobicContact CG-CE2 3.32Å; M819-F823 WeakPolarHBondContact O-CB 3.46Å; M819-F823 WeakPolarHBondContact O-CD2 3.38Å; M819-F823 PolarHBondContact O-N 2.75Å; M819-F823 HydrophobicContact SD-CD2 4.38Å; M819-F823 HydrophobicContact SD-CE2 3.71Å
820	D	73.8	Confident	68.4	Low	81 Å²	81	81.1 Å²	81.1	43%	0.433	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-37	177.7	-58.9	-19	0	0	0	110.6	N817 F823 N824	N817-D820 HydrophobicContact CB-CB 4.34Å; N817-D820 WeakPolarHBondContact CB-OD2 3.34Å; N817-D820 WeakPolarHBondContact O-CB 3.48Å; N817-D820 PolarHBondContact O-N 3.39Å; D820-F823 PolarHBondContact O-N 3.37Å; D820-N824 WeakPolarHBondContact O-CB 3.13Å; D820-N824 PolarHBondContact O-N 3.41Å; D820-N824 PolarHBondContact O-ND2 3.37Å; D820-N824 PolarHBondContact O-OD1 3.31Å
821	H	72.2	Confident	67.9	Low	50 Å²	50	83.2 Å²	83.2	23%	0.231	44%	0.442	C	S	.	.	H	α-helix	trans	-63.8	-44.2	173.8	-173	70	0	0	0	111.9	D642 F644 N817 L818 M819 N824 M825	D642-H821 IonicContact OD1-NE2 3.77Å; D642-H821 IonicContact OD2-CD2 2.75Å; D642-H821 IonicContact OD2-CE1 2.95Å; D642-H821 IonicContact OD2-NE2 3.64Å; D642-H821 PolarHBondContact OD2-NE2 3.48Å; F644-H821 HydrophobicContact CD1-CB 4.09Å; F644-H821 AromaticContact CD1-CD2 3.55Å; F644-H821 AromaticContact CD1-CG 3.63Å; F644-H821 AromaticContact CD1-NE2 3.9Å; F644-H821 HydrophobicContact CE1-CB 3.7Å; F644-H821 AromaticContact CE1-CG 3.76Å; N817-H821 PolarHBondContact O-N 2.93Å; N817-H821 VanDerWaalsContact O-N 3.07Å; L818-H821 WeakPolarHBondContact O-CB 3.47Å; L818-H821 PolarHBondContact O-N 3.36Å; M819-H821 VanDerWaalsContact C-N 3.31Å; M819-H821 PolarHBondContact O-N 3.25Å; H821-N824 PolarHBondContact O-N 3.46Å; H821-M825 WeakPolarHBondContact O-CB 3.35Å; H821-M825 PolarHBondContact O-N 3.1Å
822	V	71	Confident	68.1	Low	24 Å²	24	85.3 Å²	85.3	15%	0.145	46%	0.456	C	S	.	.	H	α-helix	trans	-64.6	-39.6	174.5	174.2	0	0	0	0	111.1	F645 L818 M819 M825 L826	F645-V822 HydrophobicContact CD2-CG2 4Å; F645-V822 HydrophobicContact CE2-CG2 3.74Å; L818-V822 WeakPolarHBondContact O-CG2 3.35Å; L818-V822 PolarHBondContact O-N 2.85Å; M819-V822 PolarHBondContact O-N 3.01Å; V822-M825 PolarHBondContact O-N 3.48Å; V822-L826 HydrophobicContact CG1-CD1 4.17Å; V822-L826 WeakPolarHBondContact O-CB 3.32Å; V822-L826 VanDerWaalsContact O-CG 3.3Å; V822-L826 WeakPolarHBondContact O-CG 3.29Å; V822-L826 PolarHBondContact O-N 3.46Å
823	F	74.1	Confident	68.7	Low	116 Å²	116	82.5 Å²	82.5	51%	0.509	44%	0.441	S	S	.	.	H	α-helix	trans	-65.2	-46.5	175.2	-84.4	-61.4	0	0	0	112	M819 D820 M825 L826 E827	M819-F823 HydrophobicContact CG-CD2 3.51Å; M819-F823 HydrophobicContact CG-CE2 3.32Å; M819-F823 WeakPolarHBondContact O-CB 3.46Å; M819-F823 WeakPolarHBondContact O-CD2 3.38Å; M819-F823 PolarHBondContact O-N 2.75Å; M819-F823 HydrophobicContact SD-CD2 4.38Å; M819-F823 HydrophobicContact SD-CE2 3.71Å; D820-F823 PolarHBondContact O-N 3.37Å; F823-M825 VanDerWaalsContact C-N 3.29Å; F823-M825 PolarHBondContact O-N 3.38Å; F823-L826 CarbonylContact O-C 3.58Å; F823-L826 PolarHBondContact O-N 3.17Å; F823-L826 VanDerWaalsContact O-N 3.11Å; F823-E827 WeakPolarHBondContact O-CB 3.26Å; F823-E827 PolarHBondContact O-N 2.65Å
824	N	71.5	Confident	69.4	Low	88 Å²	88	86.1 Å²	86.1	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-60.5	-40.5	176.1	-70.2	-15	0	0	0	111.3	D820 H821 L826 E827 T828	D820-N824 WeakPolarHBondContact O-CB 3.13Å; D820-N824 PolarHBondContact O-N 3.41Å; D820-N824 PolarHBondContact O-ND2 3.37Å; D820-N824 PolarHBondContact O-OD1 3.31Å; H821-N824 PolarHBondContact O-N 3.46Å; N824-L826 VanDerWaalsContact C-N 3.34Å; N824-E827 PolarHBondContact O-N 3.29Å; N824-T828 VanDerWaalsContact O-CB 3.3Å; N824-T828 WeakPolarHBondContact O-CB 3.28Å; N824-T828 PolarHBondContact O-N 2.91Å; N824-T828 PolarHBondContact O-OG1 3.1Å
825	M	69.5	Low	70.3	Confident	74 Å²	74	85.4 Å²	85.4	37%	0.365	44%	0.438	S	S	.	.	H	α-helix	trans	-61.2	-43.6	174.7	-173.1	-165.8	-66.9	0	0	111.1	H821 V822 F823 Y829	H821-M825 WeakPolarHBondContact O-CB 3.35Å; H821-M825 PolarHBondContact O-N 3.1Å; V822-M825 PolarHBondContact O-N 3.48Å; F823-M825 VanDerWaalsContact C-N 3.29Å; F823-M825 PolarHBondContact O-N 3.38Å; M825-Y829 WeakPolarHBondContact O-CB 3.5Å; M825-Y829 PolarHBondContact O-N 2.8Å; M825-Y829 VanDerWaalsContact O-N 3.13Å
826	L	69.5	Low	71.1	Confident	58 Å²	58	81 Å²	81	30%	0.304	42%	0.421	S	S	.	.	H	α-helix	trans	-70.4	-37.8	177.6	-71.8	172.8	0	0	0	113.1	V822 F823 N824 Y829 A830	V822-L826 HydrophobicContact CG1-CD1 4.17Å; V822-L826 WeakPolarHBondContact O-CB 3.32Å; V822-L826 VanDerWaalsContact O-CG 3.3Å; V822-L826 WeakPolarHBondContact O-CG 3.29Å; V822-L826 PolarHBondContact O-N 3.46Å; F823-L826 CarbonylContact O-C 3.58Å; F823-L826 PolarHBondContact O-N 3.17Å; F823-L826 VanDerWaalsContact O-N 3.11Å; N824-L826 VanDerWaalsContact C-N 3.34Å; L826-Y829 PolarHBondContact O-N 3.42Å; L826-A830 WeakPolarHBondContact O-CB 3.46Å; L826-A830 PolarHBondContact O-N 2.99Å
827	E	71.4	Confident	71.9	Confident	128 Å²	128	83.5 Å²	83.5	60%	0.598	43%	0.429	S	S	*	.	H	α-helix	trans	-69.1	-44.7	178.5	-173.4	172.9	-163.7	0	0	111	F823 N824 Y829 A830 S831	F823-E827 WeakPolarHBondContact O-CB 3.26Å; F823-E827 PolarHBondContact O-N 2.65Å; N824-E827 PolarHBondContact O-N 3.29Å; E827-Y829 VanDerWaalsContact C-N 3.28Å; E827-Y829 PolarHBondContact O-N 3.29Å; E827-A830 PolarHBondContact O-N 3.32Å; E827-A830 VanDerWaalsContact O-N 3.09Å; E827-S831 PolarHBondContact O-N 2.87Å; E827-S831 PolarHBondContact O-OG 3.46Å
828	T	73.1	Confident	72.3	Confident	85 Å²	85	85.8 Å²	85.8	52%	0.521	44%	0.441	S	S	.	.	H	α-helix	trans	-59.6	-42.2	173.7	-52.5	0	0	0	0	110.6	N824 A830 S831 T832	N824-T828 VanDerWaalsContact O-CB 3.3Å; N824-T828 WeakPolarHBondContact O-CB 3.28Å; N824-T828 PolarHBondContact O-N 2.91Å; N824-T828 PolarHBondContact O-OG1 3.1Å; T828-A830 VanDerWaalsContact C-N 3.34Å; T828-A830 PolarHBondContact O-N 2.96Å; T828-S831 PolarHBondContact O-OG 2.95Å; T828-S831 VanDerWaalsContact O-OG 3.12Å; T828-T832 WeakPolarHBondContact O-CB 3.36Å; T828-T832 PolarHBondContact O-N 3.17Å; T828-T832 VanDerWaalsContact O-N 3.15Å; T828-T832 PolarHBondContact O-OG1 3.48Å
829	Y	69.5	Low	72.6	Confident	163 Å²	163	91.3 Å²	91.3	64%	0.639	47%	0.467	S	S	*	.	H	α-helix	trans	-65.7	-37.3	176.3	-166.2	-92.1	0	0	0	112.1	M825 L826 E827 L833	M825-Y829 WeakPolarHBondContact O-CB 3.5Å; M825-Y829 PolarHBondContact O-N 2.8Å; M825-Y829 VanDerWaalsContact O-N 3.13Å; L826-Y829 PolarHBondContact O-N 3.42Å; E827-Y829 VanDerWaalsContact C-N 3.28Å; E827-Y829 PolarHBondContact O-N 3.29Å; Y829-L833 HydrophobicContact CE1-CD1 4.41Å; Y829-L833 PolarHBondContact O-N 2.84Å
830	A	72.2	Confident	72.7	Confident	42 Å²	42	97.7 Å²	97.7	35%	0.347	49%	0.488	S	S	.	.	H	α-helix	trans	-70.8	-45.4	177.8	0	0	0	0	0	112.7	L826 E827 T828 T832 L833 E834	L826-A830 WeakPolarHBondContact O-CB 3.46Å; L826-A830 PolarHBondContact O-N 2.99Å; E827-A830 PolarHBondContact O-N 3.32Å; E827-A830 VanDerWaalsContact O-N 3.09Å; T828-A830 VanDerWaalsContact C-N 3.34Å; T828-A830 PolarHBondContact O-N 2.96Å; A830-T832 PolarHBondContact O-N 2.92Å; A830-L833 PolarHBondContact O-N 2.99Å; A830-E834 PolarHBondContact O-N 3.15Å
831	S	72	Confident	72.9	Confident	59 Å²	59	97.4 Å²	97.4	41%	0.413	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-43.4	-179.8	67.5	0	0	0	0	111.6	E827 T828 L833 E834 E835	E827-S831 PolarHBondContact O-N 2.87Å; E827-S831 PolarHBondContact O-OG 3.46Å; T828-S831 PolarHBondContact O-OG 2.95Å; T828-S831 VanDerWaalsContact O-OG 3.12Å; S831-L833 PolarHBondContact O-N 3.42Å; S831-E834 PolarHBondContact O-N 3.1Å; S831-E835 PolarHBondContact O-N 2.75Å
832	T	73.8	Confident	73.2	Confident	81 Å²	81	102 Å²	102	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-36.5	177.9	-47	0	0	0	0	110.9	T828 A830 E836	T828-T832 WeakPolarHBondContact O-CB 3.36Å; T828-T832 PolarHBondContact O-N 3.17Å; T828-T832 VanDerWaalsContact O-N 3.15Å; T828-T832 PolarHBondContact O-OG1 3.48Å; A830-T832 PolarHBondContact O-N 2.92Å; T832-E836 PolarHBondContact O-N 2.94Å
833	L	70.9	Confident	73.5	Confident	89 Å²	89	107.1 Å²	107.1	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-74.5	-36.8	178.6	-152.8	106.7	0	0	0	112.6	Y829 A830 S831 V837	Y829-L833 HydrophobicContact CE1-CD1 4.41Å; Y829-L833 PolarHBondContact O-N 2.84Å; A830-L833 PolarHBondContact O-N 2.99Å; S831-L833 PolarHBondContact O-N 3.42Å; L833-V837 VanDerWaalsContact O-CG2 3.27Å; L833-V837 WeakPolarHBondContact O-CG2 3.38Å; L833-V837 PolarHBondContact O-N 3.15Å; L833-V837 VanDerWaalsContact O-N 3.16Å
834	E	72.5	Confident	73.7	Confident	145 Å²	145	107.7 Å²	107.7	68%	0.678	54%	0.538	S	S	*	.	H	α-helix	trans	-65.4	-41.7	176.1	-77	-177.2	174.5	0	0	111.9	A830 S831 V837 N838	A830-E834 PolarHBondContact O-N 3.15Å; S831-E834 PolarHBondContact O-N 3.1Å; E834-V837 PolarHBondContact O-N 3.36Å; E834-N838 WeakPolarHBondContact O-CB 3.28Å; E834-N838 PolarHBondContact O-N 2.78Å
835	E	75.1	Confident	74	Confident	135 Å²	135	107.7 Å²	107.7	63%	0.631	54%	0.541	S	S	*	.	H	α-helix	trans	-60.8	-47.2	177.7	-165.7	167.1	-161.7	0	0	111.1	S831 V837 N838 E839	S831-E835 PolarHBondContact O-N 2.75Å; E835-V837 PolarHBondContact O-N 3.25Å; E835-N838 PolarHBondContact O-N 2.91Å; E835-E839 PolarHBondContact O-N 3.35Å; E835-E839 VanDerWaalsContact O-N 3.12Å
836	E	72.2	Confident	74.4	Confident	117 Å²	117	109.5 Å²	109.5	55%	0.547	55%	0.549	S	S	.	.	H	α-helix	trans	-63.4	-37.8	178.2	-165.7	-179.8	179.3	0	0	112.6	T832 R840	T832-E836 PolarHBondContact O-N 2.94Å; E836-R840 WeakPolarHBondContact O-CG 3.31Å; E836-R840 PolarHBondContact O-N 2.89Å
837	V	75.3	Confident	74.7	Confident	86 Å²	86	112 Å²	112	52%	0.521	56%	0.559	S	S	.	*	H	α-helix	trans	-69.4	-38.6	177	170.4	0	0	0	0	111.7	L833 E834 E835 T841	L833-V837 VanDerWaalsContact O-CG2 3.27Å; L833-V837 WeakPolarHBondContact O-CG2 3.38Å; L833-V837 PolarHBondContact O-N 3.15Å; L833-V837 VanDerWaalsContact O-N 3.16Å; E834-V837 PolarHBondContact O-N 3.36Å; E835-V837 PolarHBondContact O-N 3.25Å; V837-T841 PolarHBondContact O-N 3.37Å; V837-T841 VanDerWaalsContact O-N 3.12Å; V837-T841 PolarHBondContact O-OG1 2.87Å
838	N	75.9	Confident	75	Confident	122 Å²	122	111.4 Å²	111.4	65%	0.652	56%	0.557	S	S	*	*	H	α-helix	trans	-71.6	-40	-176.2	-148.2	17.4	0	0	0	111.6	E834 E835 T841 K842	E834-N838 WeakPolarHBondContact O-CB 3.28Å; E834-N838 PolarHBondContact O-N 2.78Å; E835-N838 PolarHBondContact O-N 2.91Å; N838-T841 PolarHBondContact O-N 2.91Å; N838-K842 PolarHBondContact O-N 2.96Å; N838-K842 VanDerWaalsContact O-N 3.17Å
839	E	76.8	Confident	75.3	Confident	128 Å²	128	114.6 Å²	114.6	60%	0.598	56%	0.563	S	S	*	*	H	α-helix	trans	-59.7	-49.9	173.7	-74.6	-167	147.4	0	0	111.8	E835 T841 K842 E843	E835-E839 PolarHBondContact O-N 3.35Å; E835-E839 VanDerWaalsContact O-N 3.12Å; E839-T841 VanDerWaalsContact C-N 3.25Å; E839-T841 PolarHBondContact O-N 3.31Å; E839-K842 PolarHBondContact O-N 3.5Å; E839-E843 PolarHBondContact O-N 2.97Å
840	R	73.9	Confident	75.9	Confident	180 Å²	180	110.9 Å²	110.9	68%	0.679	55%	0.55	S	S	*	*	H	α-helix	trans	-58.3	-35.5	177.2	-77.6	-96.3	-175.3	137.1	3.1	113.1	E836	E836-R840 WeakPolarHBondContact O-CG 3.31Å; E836-R840 PolarHBondContact O-N 2.89Å
841	T	78.9	Confident	76.2	Confident	75 Å²	75	112.5 Å²	112.5	46%	0.46	56%	0.559	S	S	.	*	H	α-helix	trans	-71.5	-37.3	-179.6	-56.5	0	0	0	0	111.6	V837 N838 E839 L844 V845	V837-T841 PolarHBondContact O-N 3.37Å; V837-T841 VanDerWaalsContact O-N 3.12Å; V837-T841 PolarHBondContact O-OG1 2.87Å; N838-T841 PolarHBondContact O-N 2.91Å; E839-T841 VanDerWaalsContact C-N 3.25Å; E839-T841 PolarHBondContact O-N 3.31Å; T841-L844 PolarHBondContact O-N 3.41Å; T841-V845 PolarHBondContact O-N 2.94Å
842	K	77.7	Confident	76.7	Confident	147 Å²	147	111.1 Å²	111.1	64%	0.639	55%	0.547	S	S	*	.	H	α-helix	trans	-65.2	-44.4	179.6	-172.8	-179.3	176	-174	0	112.3	N838 E839 L844 V845 E846	N838-K842 PolarHBondContact O-N 2.96Å; N838-K842 VanDerWaalsContact O-N 3.17Å; E839-K842 PolarHBondContact O-N 3.5Å; K842-L844 VanDerWaalsContact C-N 3.31Å; K842-L844 PolarHBondContact O-N 3.39Å; K842-V845 PolarHBondContact O-N 3.42Å; K842-E846 PolarHBondContact O-N 2.91Å
843	E	78.1	Confident	77	Confident	132 Å²	132	109 Å²	109	62%	0.617	53%	0.534	S	S	*	.	H	α-helix	trans	-59.9	-40.3	178.3	-67	179.8	166.4	0	0	112.3	E839 V845 E846 E847	E839-E843 PolarHBondContact O-N 2.97Å; E843-V845 PolarHBondContact O-N 3.13Å; E843-E846 PolarHBondContact O-N 2.98Å; E843-E847 PolarHBondContact O-N 3.3Å
844	L	77.6	Confident	77.6	Confident	127 Å²	127	108.5 Å²	108.5	67%	0.665	53%	0.531	S	S	*	.	H	α-helix	trans	-63.6	-38.6	-179.1	-171.2	68.6	0	0	0	112.6	T841 K842 Q848	T841-L844 PolarHBondContact O-N 3.41Å; K842-L844 VanDerWaalsContact C-N 3.31Å; K842-L844 PolarHBondContact O-N 3.39Å; L844-Q848 WeakPolarHBondContact O-CB 3.31Å; L844-Q848 PolarHBondContact O-N 2.86Å; L844-Q848 VanDerWaalsContact O-N 3.14Å
845	V	78.9	Confident	78.1	Confident	88 Å²	88	103.6 Å²	103.6	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-69.3	-38.3	-178.7	174.2	0	0	0	0	111.7	T841 K842 E843 K849	T841-V845 PolarHBondContact O-N 2.94Å; K842-V845 PolarHBondContact O-N 3.42Å; E843-V845 PolarHBondContact O-N 3.13Å; V845-K849 PolarHBondContact O-N 2.78Å
846	E	77	Confident	78.4	Confident	112 Å²	112	100.6 Å²	100.6	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-68.6	-41.4	179.4	-69.5	-170.2	174.2	0	0	112.5	K842 E843 K849 K850	K842-E846 PolarHBondContact O-N 2.91Å; E843-E846 PolarHBondContact O-N 2.98Å; E846-K849 PolarHBondContact O-N 3.23Å; E846-K850 PolarHBondContact O-N 3.47Å
847	E	76.4	Confident	78.7	Confident	112 Å²	112	101.4 Å²	101.4	52%	0.523	49%	0.491	S	S	.	.	H	α-helix	trans	-65.1	-40.7	175.3	-81.3	-58.1	121.6	0	0	112.1	E843 K849 K850 S851	E843-E847 PolarHBondContact O-N 3.3Å; E847-K849 VanDerWaalsContact C-N 3.33Å; E847-K849 PolarHBondContact O-N 3Å; E847-K850 PolarHBondContact O-N 3.44Å; E847-K850 IonicContact OE1-NZ 3.84Å; E847-K850 PolarHBondContact OE1-NZ 3.49Å; E847-S851 PolarHBondContact O-N 3.25Å; E847-S851 VanDerWaalsContact O-N 3.1Å
848	Q	77.9	Confident	78.8	Confident	115 Å²	115	104 Å²	104	54%	0.537	50%	0.499	S	S	.	.	H	α-helix	trans	-58.5	-43.5	175.5	-170.3	177.7	24.5	0	0	112.1	L844 K850 S851 D852	L844-Q848 WeakPolarHBondContact O-CB 3.31Å; L844-Q848 PolarHBondContact O-N 2.86Å; L844-Q848 VanDerWaalsContact O-N 3.14Å; Q848-K850 PolarHBondContact O-N 3.45Å; Q848-S851 WeakPolarHBondContact O-CB 3.34Å; Q848-S851 PolarHBondContact O-N 2.83Å; Q848-D852 PolarHBondContact O-N 3.12Å
849	K	79.7	Confident	79.2	Confident	151 Å²	151	98.3 Å²	98.3	66%	0.657	47%	0.469	S	S	*	.	H	α-helix	trans	-65	-36.8	179.8	-171.4	177.8	-179	179	0	112.8	V845 E846 E847 V853	V845-K849 PolarHBondContact O-N 2.78Å; E846-K849 PolarHBondContact O-N 3.23Å; E847-K849 VanDerWaalsContact C-N 3.33Å; E847-K849 PolarHBondContact O-N 3Å; K849-V853 WeakPolarHBondContact O-CG2 3.38Å; K849-V853 PolarHBondContact O-N 3.03Å
850	K	80.2	Confident	79.5	Confident	86 Å²	86	92.8 Å²	92.8	37%	0.374	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-43.5	175.8	-67.2	175.5	-165.5	162.9	0	111	E846 E847 Q848 D852 V853 L854	E846-K850 PolarHBondContact O-N 3.47Å; E847-K850 PolarHBondContact O-N 3.44Å; E847-K850 IonicContact OE1-NZ 3.84Å; E847-K850 PolarHBondContact OE1-NZ 3.49Å; Q848-K850 PolarHBondContact O-N 3.45Å; K850-D852 VanDerWaalsContact C-N 3.35Å; K850-D852 PolarHBondContact O-N 3.3Å; K850-V853 PolarHBondContact O-N 3.45Å; K850-L854 PolarHBondContact O-N 3.31Å
851	S	79.3	Confident	80	Confident	75 Å²	75	90.8 Å²	90.8	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-59.4	-44	176.3	-176.5	0	0	0	0	111.8	E847 Q848 V853 L854 L855	E847-S851 PolarHBondContact O-N 3.25Å; E847-S851 VanDerWaalsContact O-N 3.1Å; Q848-S851 WeakPolarHBondContact O-CB 3.34Å; Q848-S851 PolarHBondContact O-N 2.83Å; S851-V853 PolarHBondContact O-N 2.89Å; S851-L854 PolarHBondContact O-N 3.4Å; S851-L855 PolarHBondContact O-N 3.34Å; S851-L855 VanDerWaalsContact O-N 3.11Å
852	D	83.2	Confident	80.3	Confident	30 Å²	30	90.3 Å²	90.3	16%	0.16	44%	0.437	C	S	.	.	H	α-helix	trans	-62.4	-43.8	-179.5	-77.9	-6.2	0	0	0	113.3	Q848 K850 L854 L855 Y856 K868	Q848-D852 PolarHBondContact O-N 3.12Å; K850-D852 VanDerWaalsContact C-N 3.35Å; K850-D852 PolarHBondContact O-N 3.3Å; D852-L854 VanDerWaalsContact C-N 3.34Å; D852-L854 PolarHBondContact O-N 2.92Å; D852-L855 PolarHBondContact O-N 2.93Å; D852-Y856 HydrophobicContact CB-CE2 3.96Å; D852-Y856 WeakPolarHBondContact O-CD2 3.42Å; D852-Y856 WeakPolarHBondContact O-CE2 3.48Å; D852-Y856 PolarHBondContact O-N 2.79Å; D852-Y856 VanDerWaalsContact O-N 3.08Å; D852-K868 WeakPolarHBondContact OD1-CD 3.15Å; D852-K868 WeakPolarHBondContact OD1-CE 3.48Å; D852-K868 IonicContact OD1-NZ 2.7Å; D852-K868 PolarHBondContact OD1-NZ 2.82Å; D852-K868 IonicContact OD2-NZ 3.61Å; D852-K868 PolarHBondContact OD2-NZ 2.84Å
853	V	80.5	Confident	80.7	Confident	36 Å²	36	83.6 Å²	83.6	22%	0.218	41%	0.408	C	S	.	.	H	α-helix	trans	-63.1	-39.9	179.9	171.8	0	0	0	0	111.9	K849 K850 S851 R857	K849-V853 WeakPolarHBondContact O-CG2 3.38Å; K849-V853 PolarHBondContact O-N 3.03Å; K850-V853 PolarHBondContact O-N 3.45Å; S851-V853 PolarHBondContact O-N 2.89Å; V853-R857 WeakPolarHBondContact O-CG 3.35Å
854	L	81.8	Confident	81	Confident	79 Å²	79	77.3 Å²	77.3	41%	0.414	38%	0.379	S	S	.	.	H	α-helix	trans	-67	-40.8	177	-71.6	172.2	0	0	0	111.3	K850 S851 D852 Y856 R857 M858 I1084	K850-L854 PolarHBondContact O-N 3.31Å; S851-L854 PolarHBondContact O-N 3.4Å; D852-L854 VanDerWaalsContact C-N 3.34Å; D852-L854 PolarHBondContact O-N 2.92Å; L854-Y856 PolarHBondContact O-N 3.37Å; L854-R857 PolarHBondContact O-N 2.75Å; L854-M858 PolarHBondContact O-N 3.39Å; L854-I1084 HydrophobicContact CD1-CD1 4.44Å; L854-I1084 HydrophobicContact CD2-CD1 4.1Å
855	L	82.8	Confident	81.5	Confident	42 Å²	42	74.9 Å²	74.9	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-42.7	179.7	-169.3	67	0	0	0	112.3	S851 D852 R857 M858 L859 A864 K868	S851-L855 PolarHBondContact O-N 3.34Å; S851-L855 VanDerWaalsContact O-N 3.11Å; D852-L855 PolarHBondContact O-N 2.93Å; L855-R857 PolarHBondContact O-N 3.12Å; L855-M858 PolarHBondContact O-N 2.95Å; L855-L859 HydrophobicContact CD1-CD1 4.33Å; L855-L859 PolarHBondContact O-N 3.48Å; L855-L859 VanDerWaalsContact O-N 3.16Å; L855-A864 HydrophobicContact CD2-CB 3.94Å; L855-A864 HydrophobicContact CG-CB 3.89Å; L855-K868 HydrophobicContact CD2-CD 3.88Å; L855-K868 HydrophobicContact CD2-CG 3.57Å
856	Y	82.8	Confident	81.8	Confident	72 Å²	72	75.9 Å²	75.9	28%	0.282	36%	0.361	S	S	.	.	H	α-helix	trans	-67.5	-15.8	177.9	-58.7	-41.4	0	0	0	114.4	D852 L854 K861 A864 E865 K868	D852-Y856 HydrophobicContact CB-CE2 3.96Å; D852-Y856 WeakPolarHBondContact O-CD2 3.42Å; D852-Y856 WeakPolarHBondContact O-CE2 3.48Å; D852-Y856 PolarHBondContact O-N 2.79Å; D852-Y856 VanDerWaalsContact O-N 3.08Å; L854-Y856 PolarHBondContact O-N 3.37Å; Y856-K861 HydrophobicContact CD1-CB 4.45Å; Y856-K861 HydrophobicContact CD1-CG 3.98Å; Y856-K861 HydrophobicContact CE1-CG 4.02Å; Y856-A864 HydrophobicContact CD1-CB 3.61Å; Y856-A864 HydrophobicContact CE1-CB 3.86Å; Y856-E865 HydrophobicContact CE1-CG 4.46Å; Y856-E865 WeakPolarHBondContact CE1-OE1 3.28Å; Y856-E865 PolarHBondContact OH-OE1 3.21Å; Y856-K868 PolarHBondContact OH-NZ 3.36Å; Y856-K868 VanDerWaalsContact OH-NZ 3.11Å
857	R	78.1	Confident	82.1	Confident	134 Å²	134	73.4 Å²	73.4	51%	0.506	35%	0.352	S	S	.	.	H	α-helix	trans	-84.3	-24.8	173.9	-70.6	179.9	-178.3	-157	-5.9	113.1	V853 L854 L855 M1080	V853-R857 WeakPolarHBondContact O-CG 3.35Å; L854-R857 PolarHBondContact O-N 2.75Å; L855-R857 PolarHBondContact O-N 3.12Å; R857-M1080 PolarHBondContact NH2-O 3.45Å
858	M	77.7	Confident	82.5	Confident	140 Å²	140	71.9 Å²	71.9	69%	0.69	34%	0.343	S	S	*	.	H	α-helix	trans	-92.5	-29.1	-178.3	-65.1	-175.8	178.5	0	0	112.7	L854 L855	L854-M858 PolarHBondContact O-N 3.39Å; L855-M858 PolarHBondContact O-N 2.95Å
859	L	83.7	Confident	82.8	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	35%	0.345	C	S	.	.	S	Bend	trans	-133.3	152.6	-175.2	-67.1	175.6	0	0	0	111.3	L855 K861 V863 A864 L867 P996	L855-L859 HydrophobicContact CD1-CD1 4.33Å; L855-L859 PolarHBondContact O-N 3.48Å; L855-L859 VanDerWaalsContact O-N 3.16Å; L859-K861 PolarHBondContact O-N 3.05Å; L859-V863 HydrophobicContact CB-CG1 4.35Å; L859-V863 HydrophobicContact CD1-CG1 4.29Å; L859-V863 HydrophobicContact CD2-CG1 4.42Å; L859-A864 HydrophobicContact CB-CB 4.43Å; L859-L867 HydrophobicContact CD1-CD1 3.38Å; L859-P996 HydrophobicContact CD1-CB 4.17Å; L859-P996 HydrophobicContact CD1-CG 3.96Å; L859-P996 WeakPolarHBondContact CD2-O 3.5Å
860	P	83.9	Confident	82.9	Confident	12 Å²	12	65.9 Å²	65.9	8%	0.078	35%	0.349	C	S	.	.			trans	-56.2	141.7	171	-15.5	25.6	0	0	0	110.8	T862 V863 A864 Y924 P940 Y998	P860-T862 VanDerWaalsContact C-N 3.28Å; P860-T862 PolarHBondContact O-N 2.95Å; P860-T862 VanDerWaalsContact O-N 3.16Å; P860-V863 HydrophobicContact CB-CB 4.36Å; P860-V863 HydrophobicContact CB-CG2 4.07Å; P860-V863 HydrophobicContact CG-CB 4.4Å; P860-V863 HydrophobicContact CG-CG2 3.99Å; P860-V863 WeakPolarHBondContact O-CA 3.44Å; P860-V863 VanDerWaalsContact O-CB 3.32Å; P860-V863 WeakPolarHBondContact O-CB 3.46Å; P860-V863 PolarHBondContact O-N 2.65Å; P860-A864 PolarHBondContact O-N 3.25Å; P860-Y924 HydrophobicContact CB-CE2 4.36Å; P860-Y924 WeakPolarHBondContact CD-OH 3.41Å; P860-Y924 HydrophobicContact CG-CD2 4.25Å; P860-Y924 HydrophobicContact CG-CE1 4.35Å; P860-Y924 HydrophobicContact CG-CE2 3.59Å; P860-P940 HydrophobicContact CB-CG 3.84Å; P860-P940 HydrophobicContact CG-CG 4.21Å; P860-Y998 HydrophobicContact CG-CD1 3.94Å; P860-Y998 HydrophobicContact CG-CE1 4.42Å; P860-Y998 HydrophobicContact CG-CG 4.08Å
861	K	84.8	Confident	83	Confident	138 Å²	138	66.2 Å²	66.2	60%	0.6	35%	0.353	S	S	*	.	H	α-helix	trans	-53.7	-42	-174	-170.4	174.3	-177.9	177.9	0	113.4	Y856 L859 V863 A864 E865	Y856-K861 HydrophobicContact CD1-CB 4.45Å; Y856-K861 HydrophobicContact CD1-CG 3.98Å; Y856-K861 HydrophobicContact CE1-CG 4.02Å; L859-K861 PolarHBondContact O-N 3.05Å; K861-V863 VanDerWaalsContact C-N 3.27Å; K861-V863 PolarHBondContact O-N 3.12Å; K861-A864 PolarHBondContact O-N 3.29Å; K861-E865 WeakPolarHBondContact O-CG 3.32Å; K861-E865 PolarHBondContact O-N 2.95Å
862	T	84.2	Confident	83.1	Confident	64 Å²	64	67.4 Å²	67.4	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-32.7	177.6	49.6	0	0	0	0	113.4	P860 K866	P860-T862 VanDerWaalsContact C-N 3.28Å; P860-T862 PolarHBondContact O-N 2.95Å; P860-T862 VanDerWaalsContact O-N 3.16Å; T862-K866 WeakPolarHBondContact O-CG 3.37Å
863	V	85.1	Confident	83	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.042	36%	0.362	C	S	.	.	H	α-helix	trans	-77	-45.5	177	174.7	0	0	0	0	109.5	L859 P860 K861 E865 K866 L867 I873 V990 Y998	L859-V863 HydrophobicContact CB-CG1 4.35Å; L859-V863 HydrophobicContact CD1-CG1 4.29Å; L859-V863 HydrophobicContact CD2-CG1 4.42Å; P860-V863 HydrophobicContact CB-CB 4.36Å; P860-V863 HydrophobicContact CB-CG2 4.07Å; P860-V863 HydrophobicContact CG-CB 4.4Å; P860-V863 HydrophobicContact CG-CG2 3.99Å; P860-V863 WeakPolarHBondContact O-CA 3.44Å; P860-V863 VanDerWaalsContact O-CB 3.32Å; P860-V863 WeakPolarHBondContact O-CB 3.46Å; P860-V863 PolarHBondContact O-N 2.65Å; K861-V863 VanDerWaalsContact C-N 3.27Å; K861-V863 PolarHBondContact O-N 3.12Å; V863-E865 PolarHBondContact O-N 3.37Å; V863-K866 PolarHBondContact O-N 3.11Å; V863-L867 HydrophobicContact CG1-CD1 4.43Å; V863-L867 PolarHBondContact O-N 3.04Å; V863-L867 VanDerWaalsContact O-N 3.09Å; V863-I873 HydrophobicContact CB-CD1 3.89Å; V863-I873 HydrophobicContact CG1-CD1 3.23Å; V863-I873 HydrophobicContact CG2-CD1 4.43Å; V863-I873 VanDerWaalsContact O-CD1 3.27Å; V863-I873 WeakPolarHBondContact O-CD1 3.08Å; V863-V990 HydrophobicContact CG1-CG2 3.35Å; V863-Y998 HydrophobicContact CG1-CD2 4.48Å; V863-Y998 HydrophobicContact CG2-CD2 3.99Å; V863-Y998 HydrophobicContact CG2-CE2 3.94Å
864	A	86.5	Confident	83.2	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-58.1	-44.1	177.5	0	0	0	0	0	113	L855 Y856 L859 P860 K861 K866 L867 K868	L855-A864 HydrophobicContact CD2-CB 3.94Å; L855-A864 HydrophobicContact CG-CB 3.89Å; Y856-A864 HydrophobicContact CD1-CB 3.61Å; Y856-A864 HydrophobicContact CE1-CB 3.86Å; L859-A864 HydrophobicContact CB-CB 4.43Å; P860-A864 PolarHBondContact O-N 3.25Å; K861-A864 PolarHBondContact O-N 3.29Å; A864-K866 PolarHBondContact O-N 3.23Å; A864-L867 PolarHBondContact O-N 3.23Å; A864-K868 WeakPolarHBondContact O-CG 3.47Å; A864-K868 PolarHBondContact O-N 3.36Å
865	E	86.6	Confident	83.4	Confident	75 Å²	75	74.4 Å²	74.4	35%	0.35	40%	0.398	S	S	.	.	H	α-helix	trans	-64.5	-39.8	178.4	-67.1	-59.7	166.5	0	0	113.1	Y856 K861 V863 L867 K868 A869	Y856-E865 HydrophobicContact CE1-CG 4.46Å; Y856-E865 WeakPolarHBondContact CE1-OE1 3.28Å; Y856-E865 PolarHBondContact OH-OE1 3.21Å; K861-E865 WeakPolarHBondContact O-CG 3.32Å; K861-E865 PolarHBondContact O-N 2.95Å; V863-E865 PolarHBondContact O-N 3.37Å; E865-L867 VanDerWaalsContact C-N 3.35Å; E865-K868 PolarHBondContact O-N 3.25Å; E865-K868 IonicContact OE2-NZ 3.7Å; E865-K868 PolarHBondContact OE2-NZ 2.62Å; E865-A869 PolarHBondContact O-N 3.43Å; E865-A869 VanDerWaalsContact O-N 3.07Å
866	K	85.6	Confident	83.8	Confident	110 Å²	110	76.5 Å²	76.5	48%	0.478	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.9	-74.7	-178.4	179	-176.1	0	110.9	T862 V863 A864 A869 G870 I871 I873	T862-K866 WeakPolarHBondContact O-CG 3.37Å; V863-K866 PolarHBondContact O-N 3.11Å; A864-K866 PolarHBondContact O-N 3.23Å; K866-A869 PolarHBondContact O-N 2.8Å; K866-G870 PolarHBondContact O-N 3.03Å; K866-I871 HydrophobicContact CB-CB 4.34Å; K866-I871 WeakPolarHBondContact O-CA 3.05Å; K866-I871 WeakPolarHBondContact O-CB 3.25Å; K866-I871 PolarHBondContact O-N 2.65Å; K866-I873 HydrophobicContact CB-CD1 4Å; K866-I873 HydrophobicContact CB-CG1 4.02Å; K866-I873 HydrophobicContact CD-CG1 4.37Å
867	L	83.2	Confident	84.3	Confident	60 Å²	60	77 Å²	77	31%	0.314	42%	0.418	S	S	.	.	H	α-helix	trans	-63.9	-41.1	176.4	-69.4	174.2	0	0	0	112.3	L859 V863 A864 E865 A869 G870 I873 P996	L859-L867 HydrophobicContact CD1-CD1 3.38Å; V863-L867 HydrophobicContact CG1-CD1 4.43Å; V863-L867 PolarHBondContact O-N 3.04Å; V863-L867 VanDerWaalsContact O-N 3.09Å; A864-L867 PolarHBondContact O-N 3.23Å; E865-L867 VanDerWaalsContact C-N 3.35Å; L867-A869 VanDerWaalsContact C-N 3.27Å; L867-A869 PolarHBondContact O-N 3.09Å; L867-G870 PolarHBondContact O-N 3.13Å; L867-I873 HydrophobicContact CD1-CD1 4.31Å; L867-I873 HydrophobicContact CD2-CD1 4.04Å; L867-I873 HydrophobicContact CD2-CG1 4.26Å; L867-I873 HydrophobicContact CG-CD1 3.73Å; L867-I873 HydrophobicContact CG-CG1 4.43Å; L867-P996 HydrophobicContact CD1-CB 4.42Å; L867-P996 HydrophobicContact CD1-CG 4.45Å
868	K	83.8	Confident	85	Confident	79 Å²	79	70.7 Å²	70.7	34%	0.343	39%	0.394	S	S	.	.	H	α-helix	trans	-60.4	-35.4	175.3	-74.8	172	64	-173.7	0	112.9	D852 L855 Y856 A864 E865 G870	D852-K868 WeakPolarHBondContact OD1-CD 3.15Å; D852-K868 WeakPolarHBondContact OD1-CE 3.48Å; D852-K868 IonicContact OD1-NZ 2.7Å; D852-K868 PolarHBondContact OD1-NZ 2.82Å; D852-K868 IonicContact OD2-NZ 3.61Å; D852-K868 PolarHBondContact OD2-NZ 2.84Å; L855-K868 HydrophobicContact CD2-CD 3.88Å; L855-K868 HydrophobicContact CD2-CG 3.57Å; Y856-K868 PolarHBondContact OH-NZ 3.36Å; Y856-K868 VanDerWaalsContact OH-NZ 3.11Å; A864-K868 WeakPolarHBondContact O-CG 3.47Å; A864-K868 PolarHBondContact O-N 3.36Å; E865-K868 PolarHBondContact O-N 3.25Å; E865-K868 IonicContact OE2-NZ 3.7Å; E865-K868 PolarHBondContact OE2-NZ 2.62Å; K868-G870 PolarHBondContact O-N 3.21Å
869	A	85	Confident	85.8	Confident	70 Å²	70	71.5 Å²	71.5	58%	0.579	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	3	176	0	0	0	0	0	113.6	E865 K866 L867 I871	E865-A869 PolarHBondContact O-N 3.43Å; E865-A869 VanDerWaalsContact O-N 3.07Å; K866-A869 PolarHBondContact O-N 2.8Å; L867-A869 VanDerWaalsContact C-N 3.27Å; L867-A869 PolarHBondContact O-N 3.09Å; A869-I871 HydrophobicContact CB-CD1 3.77Å; A869-I871 HydrophobicContact CB-CG1 3.89Å; A869-I871 PolarHBondContact O-N 2.88Å
870	G	82	Confident	86.3	Confident	71 Å²	71	74.3 Å²	74.3	73%	0.732	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	17.4	-175.8	0	0	0	0	0	113.8	K866 L867 K868	K866-G870 PolarHBondContact O-N 3.03Å; L867-G870 PolarHBondContact O-N 3.13Å; K868-G870 PolarHBondContact O-N 3.21Å
871	I	83.2	Confident	86.9	Confident	93 Å²	93	73.8 Å²	73.8	48%	0.477	41%	0.407	S	S	.	.			trans	-90.9	124.5	-177.9	-55.5	171.3	0	0	0	108.9	K866 A869	K866-I871 HydrophobicContact CB-CB 4.34Å; K866-I871 WeakPolarHBondContact O-CA 3.05Å; K866-I871 WeakPolarHBondContact O-CB 3.25Å; K866-I871 PolarHBondContact O-N 2.65Å; A869-I871 HydrophobicContact CB-CD1 3.77Å; A869-I871 HydrophobicContact CB-CG1 3.89Å; A869-I871 PolarHBondContact O-N 2.88Å
872	S	79.5	Confident	87.5	Confident	99 Å²	99	67.2 Å²	67.2	69%	0.692	38%	0.378	S	S	*	.			trans	-65.9	141.6	172.8	55.3	0	0	0	0	111.4
873	I	81.3	Confident	88.1	Confident	33 Å²	33	64.1 Å²	64.1	17%	0.169	36%	0.36	C	S	.	.			trans	-101.8	109.5	-177.9	-58.7	-177.4	0	0	0	109.4	V863 K866 L867 V990	V863-I873 HydrophobicContact CB-CD1 3.89Å; V863-I873 HydrophobicContact CG1-CD1 3.23Å; V863-I873 HydrophobicContact CG2-CD1 4.43Å; V863-I873 VanDerWaalsContact O-CD1 3.27Å; V863-I873 WeakPolarHBondContact O-CD1 3.08Å; K866-I873 HydrophobicContact CB-CD1 4Å; K866-I873 HydrophobicContact CB-CG1 4.02Å; K866-I873 HydrophobicContact CD-CG1 4.37Å; L867-I873 HydrophobicContact CD1-CD1 4.31Å; L867-I873 HydrophobicContact CD2-CD1 4.04Å; L867-I873 HydrophobicContact CD2-CG1 4.26Å; L867-I873 HydrophobicContact CG-CD1 3.73Å; L867-I873 HydrophobicContact CG-CG1 4.43Å; I873-V990 HydrophobicContact CB-CG2 4.22Å; I873-V990 HydrophobicContact CD1-CG2 3.98Å; I873-V990 HydrophobicContact CG2-CG2 4.14Å
874	E	84.4	Confident	88.7	Confident	161 Å²	161	63.8 Å²	63.8	75%	0.752	36%	0.358	S	S	*	.			trans	-73.7	144	175.9	-63	-174.5	165	0	0	111
875	P	87.7	Confident	89.2	Confident	98 Å²	98	64.7 Å²	64.7	64%	0.636	36%	0.361	S	S	*	.			trans	-60.5	136.5	173.3	-22.2	33.2	0	0	0	112.3	V987 A988	P875-V987 HydrophobicContact CB-CG1 3.98Å; P875-A988 CarbonylContact C-O 3.52Å; P875-A988 VanDerWaalsContact CA-O 3.32Å; P875-A988 WeakPolarHBondContact CA-O 3.3Å
876	E	90.6	Very high	89.6	Confident	87 Å²	87	61.5 Å²	61.5	41%	0.407	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.6	-180	-176.1	-178.7	165.5	0	0	111	F878 R942 V987 A988	E876-F878 HydrophobicContact CB-CE2 3.87Å; E876-F878 HydrophobicContact CB-CZ 4.41Å; E876-F878 VanDerWaalsContact CD-CZ 3.49Å; E876-F878 HydrophobicContact CG-CD2 4.38Å; E876-F878 HydrophobicContact CG-CE2 3.81Å; E876-F878 HydrophobicContact CG-CZ 4.06Å; E876-R942 IonicContact OE1-CZ 3.03Å; E876-R942 IonicContact OE1-NE 3.63Å; E876-R942 PolarHBondContact OE1-NE 2.79Å; E876-R942 IonicContact OE1-NH2 3.56Å; E876-R942 PolarHBondContact OE1-NH2 2.99Å; E876-V987 CarbonylContact O-C 3.55Å; E876-V987 WeakPolarHBondContact O-CA 3.39Å; E876-A988 PolarHBondContact N-O 3.2Å; E876-A988 PolarHBondContact O-N 3.34Å
877	T	92.7	Very high	89.9	Confident	83 Å²	83	58 Å²	58	51%	0.509	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.1	173.8	-55.4	0	0	0	0	110.7	R942 V987	T877-R942 PolarHBondContact O-NH2 3.21Å; T877-V987 HydrophobicContact CG2-CG2 4.47Å
878	F	94.1	Very high	90.3	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.7	173.1	-66.6	-97.3	0	0	0	109.1	E876 L880 V881 G938 L939 R942 S985 V986 A988	E876-F878 HydrophobicContact CB-CE2 3.87Å; E876-F878 HydrophobicContact CB-CZ 4.41Å; E876-F878 VanDerWaalsContact CD-CZ 3.49Å; E876-F878 HydrophobicContact CG-CD2 4.38Å; E876-F878 HydrophobicContact CG-CE2 3.81Å; E876-F878 HydrophobicContact CG-CZ 4.06Å; F878-L880 VanDerWaalsContact C-N 3.31Å; F878-L880 PolarHBondContact O-N 3.18Å; F878-V881 HydrophobicContact CB-CG1 3.79Å; F878-V881 HydrophobicContact CG-CG1 4.45Å; F878-G938 WeakPolarHBondContact CD1-O 3.2Å; F878-L939 HydrophobicContact CD1-CB 3.57Å; F878-L939 HydrophobicContact CD2-CB 4.1Å; F878-L939 HydrophobicContact CD2-CD2 4.09Å; F878-L939 HydrophobicContact CE1-CB 3.54Å; F878-L939 HydrophobicContact CE2-CB 4.08Å; F878-L939 HydrophobicContact CG-CB 3.87Å; F878-L939 HydrophobicContact CG-CD2 4.19Å; F878-L939 HydrophobicContact CZ-CB 3.82Å; F878-R942 HydrophobicContact CD1-CG 3.95Å; F878-R942 HydrophobicContact CE1-CG 3.96Å; F878-S985 VanDerWaalsContact O-CA 3.25Å; F878-S985 WeakPolarHBondContact O-CA 3.48Å; F878-S985 PolarHBondContact O-OG 3.18Å; F878-V986 HydrophobicContact CB-CG2 4.05Å; F878-V986 PolarHBondContact N-O 2.87Å; F878-V986 PolarHBondContact O-N 3.22Å; F878-A988 HydrophobicContact CD2-CB 4.09Å; F878-A988 HydrophobicContact CE2-CB 3.86Å
879	E	92.8	Very high	90.7	Very high	156 Å²	156	53.2 Å²	53.2	73%	0.729	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	-35.9	-172.6	-64.1	-179.2	172.8	0	0	113.2	S985	E879-S985 VanDerWaalsContact O-CA 3.27Å; E879-S985 WeakPolarHBondContact O-CA 3.42Å; E879-S985 VanDerWaalsContact O-CB 3.28Å; E879-S985 WeakPolarHBondContact O-CB 3.37Å; E879-S985 PolarHBondContact O-N 3.17Å
880	L	94.4	Very high	90.8	Very high	64 Å²	64	56.8 Å²	56.8	34%	0.335	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	122.6	-178.3	-169.8	67.4	0	0	0	110.1	F878 C983 L1029	F878-L880 VanDerWaalsContact C-N 3.31Å; F878-L880 PolarHBondContact O-N 3.18Å; L880-C983 HydrophobicContact CD1-CB 4.29Å; L880-L1029 HydrophobicContact CD1-CD1 4.5Å; L880-L1029 HydrophobicContact CD2-CD1 4.35Å; L880-L1029 HydrophobicContact CD2-CD2 4.46Å
881	V	96.4	Very high	91.1	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163.6	172.1	-63.8	0	0	0	0	109.9	F878 I883 V936 S937 L939 C983 G984 V986	F878-V881 HydrophobicContact CB-CG1 3.79Å; F878-V881 HydrophobicContact CG-CG1 4.45Å; V881-I883 HydrophobicContact CG2-CD1 4.28Å; V881-I883 HydrophobicContact CG2-CG1 3.96Å; V881-V936 HydrophobicContact CB-CG2 3.94Å; V881-V936 HydrophobicContact CG2-CG2 4.02Å; V881-S937 WeakPolarHBondContact CB-O 3.17Å; V881-L939 HydrophobicContact CG1-CB 4.26Å; V881-L939 HydrophobicContact CG1-CD2 3.94Å; V881-L939 HydrophobicContact CG1-CG 4.23Å; V881-C983 WeakPolarHBondContact O-CA 3.09Å; V881-G984 WeakPolarHBondContact CG2-O 3.21Å; V881-G984 PolarHBondContact N-O 3.5Å; V881-G984 PolarHBondContact O-N 3.11Å; V881-G984 VanDerWaalsContact O-N 3.11Å; V881-V986 HydrophobicContact CG1-CG2 4.22Å; V881-V986 HydrophobicContact CG2-CB 4.31Å; V881-V986 HydrophobicContact CG2-CG1 3.79Å; V881-V986 HydrophobicContact CG2-CG2 3.54Å
882	T	97.6	Very high	91.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.9	167.1	-62.3	0	0	0	0	109.9	V936 S937 H947 I948 I951 I981 C983	T882-V936 WeakPolarHBondContact O-CA 3.44Å; T882-V936 WeakPolarHBondContact O-CG2 3.35Å; T882-S937 PolarHBondContact N-O 3.3Å; T882-S937 VanDerWaalsContact N-O 3.1Å; T882-S937 PolarHBondContact O-N 2.77Å; T882-H947 PolarHBondContact OG1-ND1 3.29Å; T882-I948 HydrophobicContact CG2-CD1 3.54Å; T882-I948 VanDerWaalsContact OG1-CA 3.3Å; T882-I948 WeakPolarHBondContact OG1-CA 3.39Å; T882-I948 PolarHBondContact OG1-N 3.28Å; T882-I951 HydrophobicContact CG2-CB 3.63Å; T882-I951 HydrophobicContact CG2-CG1 3.74Å; T882-I951 HydrophobicContact CG2-CG2 3.67Å; T882-I981 HydrophobicContact CG2-CG2 3.4Å; T882-C983 PolarHBondContact OG1-SG 3.04Å
883	I	97.5	Very high	91.7	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.3	-177.1	-54.3	161.6	0	0	0	108.5	V881 F885 L934 V936 I981 N982 V986 A1004 V1005 A1008	V881-I883 HydrophobicContact CG2-CD1 4.28Å; V881-I883 HydrophobicContact CG2-CG1 3.96Å; I883-F885 HydrophobicContact CG2-CD2 3.93Å; I883-F885 HydrophobicContact CG2-CE2 3.75Å; I883-L934 HydrophobicContact CG2-CD1 3.68Å; I883-V936 HydrophobicContact CG1-CG2 4.14Å; I883-I981 WeakPolarHBondContact O-CA 3.2Å; I883-N982 PolarHBondContact N-O 3.47Å; I883-N982 PolarHBondContact O-N 2.83Å; I883-V986 HydrophobicContact CD1-CG1 3.65Å; I883-A1004 HydrophobicContact CD1-CB 3.75Å; I883-V1005 HydrophobicContact CD1-CB 4.32Å; I883-V1005 HydrophobicContact CD1-CG2 3.83Å; I883-A1008 HydrophobicContact CB-CB 3.83Å; I883-A1008 HydrophobicContact CG2-CB 3.7Å
884	F	97.3	Very high	92	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.3	178	170	-85.3	0	0	0	109.8	S886 L934 C935 I951 M954 S955 F958 I979 G980	F884-S886 WeakPolarHBondContact CE1-OG 3.15Å; F884-L934 WeakPolarHBondContact O-CA 3.35Å; F884-L934 WeakPolarHBondContact O-CD1 3.17Å; F884-C935 HydrophobicContact CB-CB 4.07Å; F884-C935 HydrophobicContact CD1-CB 3.9Å; F884-C935 HydrophobicContact CG-CB 4.32Å; F884-C935 PolarHBondContact N-O 2.77Å; F884-C935 PolarHBondContact O-N 2.65Å; F884-I951 HydrophobicContact CB-CD1 3.98Å; F884-I951 HydrophobicContact CB-CG2 3.85Å; F884-I951 HydrophobicContact CD2-CG2 4.23Å; F884-M954 HydrophobicContact CB-CE 3.84Å; F884-M954 HydrophobicContact CD1-CE 3.61Å; F884-M954 HydrophobicContact CD2-CE 3.43Å; F884-M954 VanDerWaalsContact CD2-CE 3.43Å; F884-M954 HydrophobicContact CE1-CE 3.91Å; F884-M954 HydrophobicContact CE2-CE 3.72Å; F884-M954 HydrophobicContact CG-CE 3.35Å; F884-M954 HydrophobicContact CZ-CE 3.97Å; F884-S955 WeakPolarHBondContact CD2-OG 3.46Å; F884-S955 VanDerWaalsContact CE2-OG 3.23Å; F884-S955 WeakPolarHBondContact CE2-OG 3.44Å; F884-F958 HydrophobicContact CE1-CD2 4.28Å; F884-F958 HydrophobicContact CE1-CE2 4Å; F884-F958 AromaticContact CZ-CD2 3.71Å; F884-F958 HydrophobicContact CZ-CD2 3.71Å; F884-F958 AromaticContact CZ-CE2 3.89Å; F884-F958 HydrophobicContact CZ-CE2 3.89Å; F884-F958 HydrophobicContact CZ-CG 4.49Å; F884-I979 HydrophobicContact CD2-CG2 3.62Å; F884-I979 HydrophobicContact CE2-CB 4.21Å; F884-I979 HydrophobicContact CE2-CD1 3.93Å; F884-I979 HydrophobicContact CE2-CG1 3.93Å; F884-I979 HydrophobicContact CE2-CG2 3.25Å; F884-I979 HydrophobicContact CZ-CD1 4.14Å; F884-I979 HydrophobicContact CZ-CG1 4.01Å; F884-I979 HydrophobicContact CZ-CG2 4.07Å; F884-G980 WeakPolarHBondContact CA-O 3.07Å
885	F	97	Very high	92.2	Very high	18 Å²	18	48 Å²	48	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.7	166.2	-86.1	-98.9	0	0	0	109.6	I883 I929 L934 I979 G980 V1005 A1008 E1012	I883-F885 HydrophobicContact CG2-CD2 3.93Å; I883-F885 HydrophobicContact CG2-CE2 3.75Å; F885-I929 HydrophobicContact CE1-CD1 3.8Å; F885-L934 HydrophobicContact CD1-CD1 4.48Å; F885-L934 HydrophobicContact CD2-CD1 3.77Å; F885-L934 HydrophobicContact CE1-CD1 4.11Å; F885-L934 HydrophobicContact CE2-CD1 3.35Å; F885-L934 HydrophobicContact CG-CD1 4.34Å; F885-L934 HydrophobicContact CZ-CD1 3.53Å; F885-L934 HydrophobicContact CZ-CD2 4.15Å; F885-L934 HydrophobicContact CZ-CG 4.33Å; F885-I979 CarbonylContact O-C 3.54Å; F885-I979 WeakPolarHBondContact O-CA 3.17Å; F885-G980 PolarHBondContact N-O 2.88Å; F885-G980 PolarHBondContact O-N 3.29Å; F885-V1005 HydrophobicContact CE2-CG1 3.86Å; F885-V1005 WeakPolarHBondContact CE2-O 3.43Å; F885-V1005 HydrophobicContact CZ-CG1 3.78Å; F885-A1008 HydrophobicContact CD2-CB 3.55Å; F885-A1008 HydrophobicContact CE2-CB 3.89Å; F885-E1012 HydrophobicContact CB-CB 3.65Å; F885-E1012 HydrophobicContact CB-CG 4.08Å
886	S	94.7	Very high	92.3	Very high	8 Å²	8	47.9 Å²	47.9	6%	0.056	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.1	170.9	57.6	0	0	0	0	111.9	F884 G932 Y933 R978	F884-S886 WeakPolarHBondContact CE1-OG 3.15Å; S886-G932 WeakPolarHBondContact O-CA 3.16Å; S886-Y933 PolarHBondContact N-O 2.9Å; S886-Y933 PolarHBondContact O-N 2.82Å; S886-Y933 WeakPolarHBondContact OG-CB 3.41Å; S886-Y933 PolarHBondContact OG-N 2.99Å; S886-Y933 PolarHBondContact OG-O 3.31Å; S886-R978 WeakPolarHBondContact CA-O 3.4Å
887	D	93.4	Very high	92.2	Very high	37 Å²	37	49.2 Å²	49.2	20%	0.198	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	141.1	178.7	175.8	79.4	0	0	0	109.5	L977 R978 E1012	D887-L977 WeakPolarHBondContact O-CA 3.38Å; D887-L977 WeakPolarHBondContact O-CD2 3.38Å; D887-R978 PolarHBondContact N-O 2.94Å; D887-R978 VanDerWaalsContact N-O 3.13Å; D887-R978 PolarHBondContact O-N 2.97Å; D887-R978 IonicContact OD2-CZ 3.27Å; D887-R978 IonicContact OD2-NE 3.08Å; D887-R978 IonicContact OD2-NH2 2.66Å; D887-R978 PolarHBondContact OD2-NH2 3.38Å; D887-E1012 HydrophobicContact CB-CG 4.23Å; D887-E1012 VanDerWaalsContact CB-OE1 3.24Å; D887-E1012 WeakPolarHBondContact CB-OE1 3.28Å
888	V	91.5	Very high	91.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.1	176.5	179.2	0	0	0	0	109.7	Q890 F891 L910 D931 I975 L977	V888-Q890 PolarHBondContact O-N 2.88Å; V888-Q890 VanDerWaalsContact O-N 3.15Å; V888-F891 HydrophobicContact CB-CB 4.12Å; V888-F891 HydrophobicContact CB-CD2 4.34Å; V888-F891 HydrophobicContact CG1-CB 4.29Å; V888-F891 HydrophobicContact CG1-CD2 4.29Å; V888-F891 PolarHBondContact O-N 3.43Å; V888-L910 HydrophobicContact CG2-CD2 3.92Å; V888-D931 VanDerWaalsContact CA-OD2 3.32Å; V888-D931 WeakPolarHBondContact CA-OD2 3.19Å; V888-D931 HydrophobicContact CB-CB 4.28Å; V888-D931 WeakPolarHBondContact CB-OD2 3.32Å; V888-D931 HydrophobicContact CG2-CB 4.22Å; V888-D931 PolarHBondContact N-OD2 3.23Å; V888-I975 HydrophobicContact CG1-CG2 3.58Å; V888-L977 HydrophobicContact CB-CD2 4.47Å; V888-L977 HydrophobicContact CG2-CD2 3.74Å
889	V	90.8	Very high	91.8	Very high	37 Å²	37	49.4 Å²	49.4	22%	0.224	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	121.7	-176.1	176.8	0	0	0	0	110.5	F891 N976 R978 P1017	V889-F891 VanDerWaalsContact C-N 3.3Å; V889-F891 PolarHBondContact O-N 3.47Å; V889-N976 WeakPolarHBondContact CG2-O 3.35Å; V889-N976 PolarHBondContact N-O 3.11Å; V889-R978 HydrophobicContact CG2-CG 3.73Å; V889-P1017 HydrophobicContact CG1-CB 4.33Å; V889-P1017 HydrophobicContact CG1-CG 3.98Å; V889-P1017 HydrophobicContact CG2-CB 3.85Å; V889-P1017 HydrophobicContact CG2-CG 3.92Å
890	Q	87.6	Confident	91.7	Very high	144 Å²	144	47.1 Å²	47.1	67%	0.673	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	30.7	178.5	-59.3	177.1	-7.4	0	0	114.4	V888 T892 T893 L894	V888-Q890 PolarHBondContact O-N 2.88Å; V888-Q890 VanDerWaalsContact O-N 3.15Å; Q890-T892 VanDerWaalsContact C-N 3.29Å; Q890-T892 PolarHBondContact O-N 2.05Å; Q890-T893 WeakPolarHBondContact O-CB 3.31Å; Q890-T893 PolarHBondContact O-N 2.81Å; Q890-L894 PolarHBondContact O-N 3.39Å; Q890-L894 VanDerWaalsContact O-N 3.15Å
891	F	88.9	Confident	91.4	Very high	33 Å²	33	51.1 Å²	51.1	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-52.3	-42.1	-179.8	-176	-105.2	0	0	0	113.9	V888 V889 T893 L894 A895 V903 L906 L907 D931	V888-F891 HydrophobicContact CB-CB 4.12Å; V888-F891 HydrophobicContact CB-CD2 4.34Å; V888-F891 HydrophobicContact CG1-CB 4.29Å; V888-F891 HydrophobicContact CG1-CD2 4.29Å; V888-F891 PolarHBondContact O-N 3.43Å; V889-F891 VanDerWaalsContact C-N 3.3Å; V889-F891 PolarHBondContact O-N 3.47Å; F891-T893 VanDerWaalsContact C-N 3.26Å; F891-T893 PolarHBondContact O-N 2.96Å; F891-L894 WeakPolarHBondContact O-CB 3.34Å; F891-L894 PolarHBondContact O-N 2.84Å; F891-A895 HydrophobicContact CE1-CB 4.28Å; F891-A895 HydrophobicContact CZ-CB 4.46Å; F891-A895 WeakPolarHBondContact O-CB 3.18Å; F891-A895 PolarHBondContact O-N 2.68Å; F891-V903 HydrophobicContact CZ-CG1 4.07Å; F891-L906 HydrophobicContact CE2-CD2 4.42Å; F891-L907 HydrophobicContact CE2-CD2 3.76Å; F891-L907 HydrophobicContact CE2-CG 4.38Å; F891-L907 HydrophobicContact CZ-CD1 4.14Å; F891-L907 HydrophobicContact CZ-CD2 3.72Å; F891-L907 HydrophobicContact CZ-CG 4.08Å; F891-D931 HydrophobicContact CB-CB 4.14Å; F891-D931 VanDerWaalsContact CB-OD2 3.31Å; F891-D931 WeakPolarHBondContact CB-OD2 3.27Å; F891-D931 HydrophobicContact CD1-CB 3.65Å; F891-D931 HydrophobicContact CD2-CB 3.79Å; F891-D931 HydrophobicContact CE1-CB 3.96Å; F891-D931 HydrophobicContact CE2-CB 4.09Å; F891-D931 HydrophobicContact CG-CB 3.56Å; F891-D931 HydrophobicContact CZ-CB 4.17Å
892	T	87.1	Confident	91.1	Very high	119 Å²	119	54.3 Å²	54.3	73%	0.73	31%	0.305	S	S	*	.	H	α-helix	trans	-57.8	-37.3	177.2	-47.7	0	0	0	0	113	Q890 S896	Q890-T892 VanDerWaalsContact C-N 3.29Å; Q890-T892 PolarHBondContact O-N 2.05Å; T892-S896 PolarHBondContact O-N 2.99Å; T892-S896 VanDerWaalsContact O-N 3.15Å
893	T	88.6	Confident	90.7	Very high	74 Å²	74	55.5 Å²	55.5	45%	0.454	31%	0.312	S	S	.	.	H	α-helix	trans	-72.9	-34.2	177	-53.2	0	0	0	0	111.5	Q890 F891 S896	Q890-T893 WeakPolarHBondContact O-CB 3.31Å; Q890-T893 PolarHBondContact O-N 2.81Å; F891-T893 VanDerWaalsContact C-N 3.26Å; F891-T893 PolarHBondContact O-N 2.96Å; T893-S896 PolarHBondContact O-OG 3.2Å
894	L	86.7	Confident	90.3	Very high	20 Å²	20	60.2 Å²	60.2	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-68.7	-48.6	174.5	-175.5	65.3	0	0	0	110.5	Q890 F891 S896 K897 C898 L906 M970 E973 I975	Q890-L894 PolarHBondContact O-N 3.39Å; Q890-L894 VanDerWaalsContact O-N 3.15Å; F891-L894 WeakPolarHBondContact O-CB 3.34Å; F891-L894 PolarHBondContact O-N 2.84Å; L894-S896 VanDerWaalsContact C-N 3.27Å; L894-S896 PolarHBondContact O-N 3.48Å; L894-K897 WeakPolarHBondContact O-CB 3.39Å; L894-K897 PolarHBondContact O-N 3.01Å; L894-C898 PolarHBondContact O-SG 2.78Å; L894-L906 HydrophobicContact CD2-CD2 3.63Å; L894-L906 HydrophobicContact CG-CD2 4.23Å; L894-M970 HydrophobicContact CD1-CE 3.69Å; L894-E973 HydrophobicContact CD1-CB 4.37Å; L894-E973 HydrophobicContact CD1-CG 4.47Å; L894-I975 HydrophobicContact CD2-CD1 3.89Å; L894-I975 HydrophobicContact CD2-CG1 4.23Å
895	A	88.2	Confident	89.8	Confident	26 Å²	26	64.9 Å²	64.9	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-32	-179.7	0	0	0	0	0	113	F891 K897 C898 V903	F891-A895 HydrophobicContact CE1-CB 4.28Å; F891-A895 HydrophobicContact CZ-CB 4.46Å; F891-A895 WeakPolarHBondContact O-CB 3.18Å; F891-A895 PolarHBondContact O-N 2.68Å; A895-K897 PolarHBondContact O-N 3.28Å; A895-C898 PolarHBondContact O-N 3.48Å; A895-C898 VanDerWaalsContact O-N 3.17Å; A895-V903 HydrophobicContact CB-CG2 4.17Å
896	S	90.1	Very high	89.4	Confident	97 Å²	97	64.2 Å²	64.2	68%	0.678	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.8	176.7	71.3	0	0	0	0	114.1	T892 T893 L894	T892-S896 PolarHBondContact O-N 2.99Å; T892-S896 VanDerWaalsContact O-N 3.15Å; T893-S896 PolarHBondContact O-OG 3.2Å; L894-S896 VanDerWaalsContact C-N 3.27Å; L894-S896 PolarHBondContact O-N 3.48Å
897	K	89	Confident	89.2	Confident	115 Å²	115	65.4 Å²	65.4	50%	0.5	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.4	173.5	-60.3	-179.8	-172	-177.9	0	113	L894 A895 M970 E973	L894-K897 WeakPolarHBondContact O-CB 3.39Å; L894-K897 PolarHBondContact O-N 3.01Å; A895-K897 PolarHBondContact O-N 3.28Å; K897-M970 HydrophobicContact CB-CE 4.16Å; K897-M970 HydrophobicContact CB-SD 4.08Å; K897-M970 HydrophobicContact CD-SD 4.33Å; K897-E973 IonicContact NZ-OE1 3.58Å; K897-E973 PolarHBondContact NZ-OE1 2.81Å
898	C	87	Confident	89	Confident	17 Å²	17	68 Å²	68	12%	0.115	38%	0.38	C	S	.	.	S	Bend	trans	-109.3	150.5	-174.4	-57.3	0	0	0	0	111.4	L894 A895 Q902 V903 H969 M970	L894-C898 PolarHBondContact O-SG 2.78Å; A895-C898 PolarHBondContact O-N 3.48Å; A895-C898 VanDerWaalsContact O-N 3.17Å; C898-Q902 HydrophobicContact CB-CB 4.04Å; C898-V903 HydrophobicContact CB-CG2 3.46Å; C898-V903 VanDerWaalsContact CB-CG2 3.46Å; C898-H969 PolarHBondContact SG-NE2 3.43Å; C898-M970 WeakPolarHBondContact SG-CE 3.44Å
899	T	90.9	Very high	88.8	Confident	71 Å²	71	70.2 Å²	70.2	44%	0.436	39%	0.391	S	S	.	.			trans	-70.5	155.7	161.7	62.6	0	0	0	0	110.5	L901 Q902 V903	T899-L901 PolarHBondContact O-N 3.42Å; T899-L901 VanDerWaalsContact O-N 3.17Å; T899-Q902 WeakPolarHBondContact O-CA 3.34Å; T899-Q902 WeakPolarHBondContact O-CB 3.38Å; T899-Q902 PolarHBondContact O-N 3.06Å; T899-Q902 WeakPolarHBondContact OG1-CB 3.44Å; T899-Q902 VanDerWaalsContact OG1-CD 3.27Å; T899-Q902 VanDerWaalsContact OG1-CG 3.26Å; T899-Q902 WeakPolarHBondContact OG1-CG 3.44Å; T899-Q902 PolarHBondContact OG1-N 2.92Å; T899-Q902 PolarHBondContact OG1-OE1 3.5Å; T899-V903 WeakPolarHBondContact O-CG2 3.26Å; T899-V903 PolarHBondContact O-N 2.77Å
900	P	90.2	Very high	88.8	Confident	108 Å²	108	68.6 Å²	68.6	70%	0.701	38%	0.381	S	S	*	.	H	α-helix	trans	-52.3	-39.1	177.3	-29.3	36	0	0	0	114.1	V903 V904	P900-V903 PolarHBondContact O-N 2.99Å; P900-V904 WeakPolarHBondContact O-CG2 3.43Å; P900-V904 PolarHBondContact O-N 3.37Å
901	L	89.2	Confident	88.9	Confident	147 Å²	147	63.7 Å²	63.7	77%	0.77	36%	0.357	S	S	*	.	H	α-helix	trans	-64.6	-41.2	175.7	-70.5	172.2	0	0	0	112.4	T899 V903 V904 Q905	T899-L901 PolarHBondContact O-N 3.42Å; T899-L901 VanDerWaalsContact O-N 3.17Å; L901-V903 VanDerWaalsContact C-N 3.34Å; L901-V904 PolarHBondContact O-N 3.07Å; L901-Q905 PolarHBondContact O-N 2.75Å
902	Q	90.6	Very high	89	Confident	68 Å²	68	66.2 Å²	66.2	32%	0.318	38%	0.375	S	S	.	.	H	α-helix	trans	-66.6	-34.5	176	-76	167.5	-30.7	0	0	112.3	C898 T899 L906 H969	C898-Q902 HydrophobicContact CB-CB 4.04Å; T899-Q902 WeakPolarHBondContact O-CA 3.34Å; T899-Q902 WeakPolarHBondContact O-CB 3.38Å; T899-Q902 PolarHBondContact O-N 3.06Å; T899-Q902 WeakPolarHBondContact OG1-CB 3.44Å; T899-Q902 VanDerWaalsContact OG1-CD 3.27Å; T899-Q902 VanDerWaalsContact OG1-CG 3.26Å; T899-Q902 WeakPolarHBondContact OG1-CG 3.44Å; T899-Q902 PolarHBondContact OG1-N 2.92Å; T899-Q902 PolarHBondContact OG1-OE1 3.5Å; Q902-L906 VanDerWaalsContact O-CB 3.31Å; Q902-L906 WeakPolarHBondContact O-CB 3.35Å; Q902-L906 PolarHBondContact O-N 3.46Å; Q902-H969 HydrophobicContact CG-CB 4.5Å
903	V	88.8	Confident	89.2	Confident	25 Å²	25	63.2 Å²	63.2	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-44.5	173.4	178.3	0	0	0	0	110.8	F891 A895 C898 T899 P900 L901 L906 L907	F891-V903 HydrophobicContact CZ-CG1 4.07Å; A895-V903 HydrophobicContact CB-CG2 4.17Å; C898-V903 HydrophobicContact CB-CG2 3.46Å; C898-V903 VanDerWaalsContact CB-CG2 3.46Å; T899-V903 WeakPolarHBondContact O-CG2 3.26Å; T899-V903 PolarHBondContact O-N 2.77Å; P900-V903 PolarHBondContact O-N 2.99Å; L901-V903 VanDerWaalsContact C-N 3.34Å; V903-L906 PolarHBondContact O-N 2.79Å; V903-L907 HydrophobicContact CG1-CD1 4.14Å; V903-L907 WeakPolarHBondContact O-CG 3.23Å; V903-L907 PolarHBondContact O-N 3.33Å
904	V	88.9	Confident	89.4	Confident	99 Å²	99	59.8 Å²	59.8	60%	0.6	33%	0.333	S	S	*	.	H	α-helix	trans	-61.7	-45.5	177.2	172.7	0	0	0	0	111.1	P900 L901 L907 N908	P900-V904 WeakPolarHBondContact O-CG2 3.43Å; P900-V904 PolarHBondContact O-N 3.37Å; L901-V904 PolarHBondContact O-N 3.07Å; V904-L907 PolarHBondContact O-N 3.46Å; V904-N908 WeakPolarHBondContact O-CB 3.4Å; V904-N908 PolarHBondContact O-N 3.01Å
905	Q	87.5	Confident	89.6	Confident	97 Å²	97	61.4 Å²	61.4	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-47.3	176.9	-174.6	64.2	35.2	0	0	111.6	L901 L907 N908 D909	L901-Q905 PolarHBondContact O-N 2.75Å; Q905-L907 VanDerWaalsContact C-N 3.35Å; Q905-L907 PolarHBondContact O-N 2.98Å; Q905-N908 PolarHBondContact O-N 3.43Å; Q905-D909 PolarHBondContact NE2-OD1 3.32Å; Q905-D909 VanDerWaalsContact O-CG 3.22Å; Q905-D909 PolarHBondContact O-N 3.35Å
906	L	88.4	Confident	89.8	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-56.8	-47.5	178.2	167.8	63.6	0	0	0	112.1	F891 L894 Q902 V903 D909 L910 F965 V967 I975	F891-L906 HydrophobicContact CE2-CD2 4.42Å; L894-L906 HydrophobicContact CD2-CD2 3.63Å; L894-L906 HydrophobicContact CG-CD2 4.23Å; Q902-L906 VanDerWaalsContact O-CB 3.31Å; Q902-L906 WeakPolarHBondContact O-CB 3.35Å; Q902-L906 PolarHBondContact O-N 3.46Å; V903-L906 PolarHBondContact O-N 2.79Å; L906-D909 PolarHBondContact O-N 3.21Å; L906-L910 WeakPolarHBondContact O-CB 3.29Å; L906-L910 PolarHBondContact O-N 2.96Å; L906-L910 VanDerWaalsContact O-N 3.08Å; L906-F965 HydrophobicContact CD1-CE1 3.97Å; L906-F965 HydrophobicContact CD1-CZ 4.03Å; L906-V967 HydrophobicContact CD1-CB 4.41Å; L906-V967 HydrophobicContact CD1-CG1 4.04Å; L906-V967 HydrophobicContact CD1-CG2 3.82Å; L906-I975 HydrophobicContact CD1-CD1 3.72Å; L906-I975 HydrophobicContact CD2-CD1 4.49Å
907	L	89.4	Confident	90	Very high	33 Å²	33	58.5 Å²	58.5	17%	0.173	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-41.5	179.1	-72.9	174.8	0	0	0	111.2	F891 V903 V904 Q905 L910 Y911 D931	F891-L907 HydrophobicContact CE2-CD2 3.76Å; F891-L907 HydrophobicContact CE2-CG 4.38Å; F891-L907 HydrophobicContact CZ-CD1 4.14Å; F891-L907 HydrophobicContact CZ-CD2 3.72Å; F891-L907 HydrophobicContact CZ-CG 4.08Å; V903-L907 HydrophobicContact CG1-CD1 4.14Å; V903-L907 WeakPolarHBondContact O-CG 3.23Å; V903-L907 PolarHBondContact O-N 3.33Å; V904-L907 PolarHBondContact O-N 3.46Å; Q905-L907 VanDerWaalsContact C-N 3.35Å; Q905-L907 PolarHBondContact O-N 2.98Å; L907-L910 PolarHBondContact O-N 2.87Å; L907-Y911 HydrophobicContact CB-CE2 4.22Å; L907-Y911 HydrophobicContact CD2-CE1 4.22Å; L907-Y911 VanDerWaalsContact O-CB 3.25Å; L907-Y911 WeakPolarHBondContact O-CB 3.3Å; L907-Y911 WeakPolarHBondContact O-CD1 3.48Å; L907-Y911 WeakPolarHBondContact O-CD2 3.09Å; L907-Y911 PolarHBondContact O-N 2.96Å; L907-D931 HydrophobicContact CD2-CB 4.47Å
908	N	89	Confident	90.2	Very high	93 Å²	93	53.6 Å²	53.6	50%	0.497	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-41.2	179.2	-164.4	60.9	0	0	0	112.4	V904 Q905 Y911 T912	V904-N908 WeakPolarHBondContact O-CB 3.4Å; V904-N908 PolarHBondContact O-N 3.01Å; Q905-N908 PolarHBondContact O-N 3.43Å; N908-Y911 PolarHBondContact O-N 3.17Å; N908-T912 WeakPolarHBondContact O-CB 3.46Å; N908-T912 PolarHBondContact O-N 3.4Å; N908-T912 PolarHBondContact O-OG1 3.05Å
909	D	88.7	Confident	90.3	Very high	48 Å²	48	60.2 Å²	60.2	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-44.3	176.4	-64.5	-17.8	0	0	0	111	Q905 L906 I913 F965	Q905-D909 PolarHBondContact NE2-OD1 3.32Å; Q905-D909 VanDerWaalsContact O-CG 3.22Å; Q905-D909 PolarHBondContact O-N 3.35Å; L906-D909 PolarHBondContact O-N 3.21Å; D909-I913 PolarHBondContact O-N 3.37Å; D909-F965 HydrophobicContact CB-CE2 4.2Å; D909-F965 HydrophobicContact CB-CZ 4.31Å
910	L	89.2	Confident	90.3	Very high	2 Å²	2	64 Å²	64	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-47	177.7	-171	69.2	0	0	0	111.6	V888 L906 L907 T912 I913 F914 L962 F965	V888-L910 HydrophobicContact CG2-CD2 3.92Å; L906-L910 WeakPolarHBondContact O-CB 3.29Å; L906-L910 PolarHBondContact O-N 2.96Å; L906-L910 VanDerWaalsContact O-N 3.08Å; L907-L910 PolarHBondContact O-N 2.87Å; L910-T912 VanDerWaalsContact C-N 3.34Å; L910-T912 PolarHBondContact O-N 2.81Å; L910-I913 PolarHBondContact O-N 3.33Å; L910-F914 HydrophobicContact CD1-CE1 3.96Å; L910-F914 HydrophobicContact CD1-CE2 3.83Å; L910-F914 HydrophobicContact CD1-CZ 3.42Å; L910-F914 VanDerWaalsContact CD1-CZ 3.42Å; L910-F914 HydrophobicContact CD2-CE2 3.92Å; L910-F914 HydrophobicContact CD2-CZ 4.29Å; L910-F914 HydrophobicContact CG-CD2 4.15Å; L910-F914 HydrophobicContact CG-CE1 4.46Å; L910-F914 HydrophobicContact CG-CE2 3.59Å; L910-F914 HydrophobicContact CG-CZ 3.76Å; L910-F914 WeakPolarHBondContact O-CG 3.47Å; L910-F914 PolarHBondContact O-N 3.27Å; L910-F914 VanDerWaalsContact O-N 3.11Å; L910-L962 HydrophobicContact CD1-CD2 3.8Å; L910-F965 HydrophobicContact CB-CZ 4.29Å; L910-F965 HydrophobicContact CD1-CE1 4.29Å; L910-F965 HydrophobicContact CD1-CE2 4.39Å; L910-F965 HydrophobicContact CD1-CZ 4.19Å
911	Y	90.9	Very high	90.3	Very high	41 Å²	41	60.3 Å²	60.3	16%	0.161	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-36.3	-178.5	-68.6	-7.3	0	0	0	112.4	L907 N908 I913 F914 D915 T928 G930 Y933	L907-Y911 HydrophobicContact CB-CE2 4.22Å; L907-Y911 HydrophobicContact CD2-CE1 4.22Å; L907-Y911 VanDerWaalsContact O-CB 3.25Å; L907-Y911 WeakPolarHBondContact O-CB 3.3Å; L907-Y911 WeakPolarHBondContact O-CD1 3.48Å; L907-Y911 WeakPolarHBondContact O-CD2 3.09Å; L907-Y911 PolarHBondContact O-N 2.96Å; N908-Y911 PolarHBondContact O-N 3.17Å; Y911-I913 VanDerWaalsContact C-N 3.33Å; Y911-I913 PolarHBondContact O-N 2.66Å; Y911-F914 PolarHBondContact O-N 2.72Å; Y911-D915 VanDerWaalsContact O-CB 3.24Å; Y911-D915 WeakPolarHBondContact O-CB 3.36Å; Y911-D915 PolarHBondContact O-N 2.75Å; Y911-T928 HydrophobicContact CE2-CG2 4.4Å; Y911-G930 PolarHBondContact OH-O 3.36Å; Y911-G930 VanDerWaalsContact OH-O 3.08Å; Y911-Y933 VanDerWaalsContact CA-OH 3.26Å; Y911-Y933 WeakPolarHBondContact CA-OH 3.26Å; Y911-Y933 VanDerWaalsContact CB-OH 3.29Å; Y911-Y933 WeakPolarHBondContact CB-OH 3.48Å; Y911-Y933 AromaticContact CD1-CE2 3.38Å; Y911-Y933 HydrophobicContact CD1-CE2 3.38Å; Y911-Y933 AromaticContact CD1-CZ 3.86Å; Y911-Y933 WeakPolarHBondContact CD1-OH 3.34Å; Y911-Y933 HydrophobicContact CE1-CD2 4.39Å; Y911-Y933 AromaticContact CE1-CE2 3.56Å; Y911-Y933 HydrophobicContact CE1-CE2 3.56Å; Y911-Y933 HydrophobicContact CG-CE2 4.2Å; Y911-Y933 PolarHBondContact O-OH 2.68Å
912	T	90.5	Very high	90.4	Very high	86 Å²	86	56.7 Å²	56.7	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-43.1	176.2	-59.6	0	0	0	0	111.5	N908 L910 S916	N908-T912 WeakPolarHBondContact O-CB 3.46Å; N908-T912 PolarHBondContact O-N 3.4Å; N908-T912 PolarHBondContact O-OG1 3.05Å; L910-T912 VanDerWaalsContact C-N 3.34Å; L910-T912 PolarHBondContact O-N 2.81Å; T912-S916 PolarHBondContact O-N 3.28Å
913	I	90.7	Very high	90.5	Very high	57 Å²	57	54.2 Å²	54.2	29%	0.292	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-47.6	177.7	-65.1	168.5	0	0	0	110.2	D909 L910 Y911 S916 I917 F965	D909-I913 PolarHBondContact O-N 3.37Å; L910-I913 PolarHBondContact O-N 3.33Å; Y911-I913 VanDerWaalsContact C-N 3.33Å; Y911-I913 PolarHBondContact O-N 2.66Å; I913-S916 PolarHBondContact O-N 2.91Å; I913-S916 PolarHBondContact O-OG 3.49Å; I913-I917 HydrophobicContact CG2-CD1 4.16Å; I913-I917 WeakPolarHBondContact O-CG1 3.46Å; I913-I917 PolarHBondContact O-N 2.94Å; I913-F965 HydrophobicContact CD1-CD2 3.42Å; I913-F965 VanDerWaalsContact CD1-CD2 3.42Å; I913-F965 HydrophobicContact CD1-CE2 3.74Å
914	F	93.1	Very high	90.7	Very high	1 Å²	1	55 Å²	55	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-42.8	-178.4	-67.5	-8.2	0	0	0	112.6	L910 Y911 S916 I917 I918 Y933 F958 L962 L977	L910-F914 HydrophobicContact CD1-CE1 3.96Å; L910-F914 HydrophobicContact CD1-CE2 3.83Å; L910-F914 HydrophobicContact CD1-CZ 3.42Å; L910-F914 VanDerWaalsContact CD1-CZ 3.42Å; L910-F914 HydrophobicContact CD2-CE2 3.92Å; L910-F914 HydrophobicContact CD2-CZ 4.29Å; L910-F914 HydrophobicContact CG-CD2 4.15Å; L910-F914 HydrophobicContact CG-CE1 4.46Å; L910-F914 HydrophobicContact CG-CE2 3.59Å; L910-F914 HydrophobicContact CG-CZ 3.76Å; L910-F914 WeakPolarHBondContact O-CG 3.47Å; L910-F914 PolarHBondContact O-N 3.27Å; L910-F914 VanDerWaalsContact O-N 3.11Å; Y911-F914 PolarHBondContact O-N 2.72Å; F914-S916 VanDerWaalsContact C-N 3.27Å; F914-S916 PolarHBondContact O-N 2.78Å; F914-I917 PolarHBondContact O-N 3.07Å; F914-I917 VanDerWaalsContact O-N 3.1Å; F914-I918 VanDerWaalsContact O-CG1 3.32Å; F914-I918 WeakPolarHBondContact O-CG1 3.49Å; F914-I918 PolarHBondContact O-N 2.9Å; F914-Y933 HydrophobicContact CB-CE1 4.21Å; F914-Y933 HydrophobicContact CB-CE2 4.2Å; F914-Y933 AromaticContact CD2-CD2 3.9Å; F914-Y933 HydrophobicContact CD2-CD2 3.9Å; F914-Y933 AromaticContact CD2-CE2 3.65Å; F914-Y933 HydrophobicContact CD2-CE2 3.65Å; F914-Y933 HydrophobicContact CG-CE2 4.45Å; F914-F958 HydrophobicContact CB-CE1 4.23Å; F914-F958 HydrophobicContact CB-CE2 4.01Å; F914-F958 HydrophobicContact CB-CZ 3.69Å; F914-F958 HydrophobicContact CD1-CD1 4.42Å; F914-F958 HydrophobicContact CD1-CD2 4.14Å; F914-F958 HydrophobicContact CD1-CE1 4.45Å; F914-F958 HydrophobicContact CD1-CE2 4.17Å; F914-F958 HydrophobicContact CD1-CG 4.27Å; F914-F958 HydrophobicContact CD1-CZ 4.33Å; F914-F958 HydrophobicContact CD2-CD2 4.33Å; F914-F958 AromaticContact CD2-CE2 3.94Å; F914-F958 HydrophobicContact CD2-CE2 3.94Å; F914-F958 HydrophobicContact CD2-CZ 4.47Å; F914-F958 HydrophobicContact CE1-CD2 4.29Å; F914-F958 HydrophobicContact CE1-CG 4.43Å; F914-F958 HydrophobicContact CE2-CD2 4.47Å; F914-F958 HydrophobicContact CE2-CE2 4.46Å; F914-F958 HydrophobicContact CG-CD2 4.18Å; F914-F958 HydrophobicContact CG-CE1 4.45Å; F914-F958 AromaticContact CG-CE2 3.78Å; F914-F958 HydrophobicContact CG-CE2 3.78Å; F914-F958 AromaticContact CG-CZ 3.94Å; F914-F958 HydrophobicContact CG-CZ 3.94Å; F914-F958 HydrophobicContact CZ-CD2 4.45Å; F914-L962 HydrophobicContact CE1-CD2 4.19Å; F914-L962 HydrophobicContact CE1-CG 4.39Å; F914-L962 HydrophobicContact CZ-CD1 4.38Å; F914-L962 HydrophobicContact CZ-CD2 4.11Å; F914-L962 HydrophobicContact CZ-CG 4.46Å; F914-L977 HydrophobicContact CE1-CD1 4.4Å; F914-L977 HydrophobicContact CE2-CD1 4.17Å; F914-L977 HydrophobicContact CZ-CD1 3.68Å; F914-L977 HydrophobicContact CZ-CG 4.44Å
915	D	91.8	Very high	90.8	Very high	54 Å²	54	53.2 Å²	53.2	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-37.8	177.7	-70.9	-1.3	0	0	0	110.7	Y911 I917 I918 E919 K925 Y933	Y911-D915 VanDerWaalsContact O-CB 3.24Å; Y911-D915 WeakPolarHBondContact O-CB 3.36Å; Y911-D915 PolarHBondContact O-N 2.75Å; D915-I917 VanDerWaalsContact C-N 3.34Å; D915-I917 PolarHBondContact O-N 3.19Å; D915-I918 PolarHBondContact O-N 3.42Å; D915-E919 WeakPolarHBondContact O-CG 3.38Å; D915-E919 PolarHBondContact O-N 2.97Å; D915-K925 VanDerWaalsContact CG-NZ 3.26Å; D915-K925 IonicContact OD1-NZ 3.98Å; D915-K925 PolarHBondContact OD1-NZ 2.78Å; D915-K925 IonicContact OD2-NZ 3.97Å; D915-K925 PolarHBondContact OD2-NZ 3.03Å; D915-Y933 WeakPolarHBondContact OD1-CE1 3.45Å; D915-Y933 PolarHBondContact OD1-OH 3.15Å
916	S	92.3	Very high	90.9	Very high	51 Å²	51	49.6 Å²	49.6	36%	0.357	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-33	174.8	81.8	0	0	0	0	114	T912 I913 F914 Q920	T912-S916 PolarHBondContact O-N 3.28Å; I913-S916 PolarHBondContact O-N 2.91Å; I913-S916 PolarHBondContact O-OG 3.49Å; F914-S916 VanDerWaalsContact C-N 3.27Å; F914-S916 PolarHBondContact O-N 2.78Å; S916-Q920 WeakPolarHBondContact O-CG 3.15Å; S916-Q920 PolarHBondContact O-NE2 2.65Å; S916-Q920 VanDerWaalsContact O-NE2 3.09Å
917	I	93.5	Very high	91	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-77.2	-36.5	177.1	-63.3	166.1	0	0	0	110.3	I913 F914 D915 Q920 N921 M954 A957 F958	I913-I917 HydrophobicContact CG2-CD1 4.16Å; I913-I917 WeakPolarHBondContact O-CG1 3.46Å; I913-I917 PolarHBondContact O-N 2.94Å; F914-I917 PolarHBondContact O-N 3.07Å; F914-I917 VanDerWaalsContact O-N 3.1Å; D915-I917 VanDerWaalsContact C-N 3.34Å; D915-I917 PolarHBondContact O-N 3.19Å; I917-Q920 PolarHBondContact O-N 2.87Å; I917-N921 PolarHBondContact O-ND2 3.24Å; I917-M954 HydrophobicContact CG2-CG 4.21Å; I917-A957 HydrophobicContact CD1-CB 4.48Å; I917-A957 HydrophobicContact CG2-CB 3.63Å; I917-F958 HydrophobicContact CB-CD1 4.09Å; I917-F958 HydrophobicContact CB-CE1 3.81Å; I917-F958 HydrophobicContact CD1-CD1 3.94Å; I917-F958 HydrophobicContact CD1-CE1 4.34Å; I917-F958 HydrophobicContact CG2-CD1 3.75Å; I917-F958 HydrophobicContact CG2-CE1 3.74Å
918	I	93.1	Very high	90.9	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.062	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-46.6	174.4	-67.3	164.7	0	0	0	109.8	F914 D915 Q920 N921 V923 K925 Y933 M954 F958	F914-I918 VanDerWaalsContact O-CG1 3.32Å; F914-I918 WeakPolarHBondContact O-CG1 3.49Å; F914-I918 PolarHBondContact O-N 2.9Å; D915-I918 PolarHBondContact O-N 3.42Å; I918-Q920 PolarHBondContact O-N 3.28Å; I918-Q920 VanDerWaalsContact O-N 3.11Å; I918-N921 PolarHBondContact O-N 3.45Å; I918-V923 HydrophobicContact CG2-CB 4.35Å; I918-V923 HydrophobicContact CG2-CG1 4.43Å; I918-V923 WeakPolarHBondContact CG2-O 3.3Å; I918-K925 HydrophobicContact CD1-CB 4.27Å; I918-K925 HydrophobicContact CD1-CD 4.4Å; I918-K925 HydrophobicContact CD1-CG 4.43Å; I918-K925 HydrophobicContact CG2-CB 4.46Å; I918-Y933 HydrophobicContact CD1-CD1 3.64Å; I918-Y933 HydrophobicContact CD1-CE1 3.57Å; I918-M954 HydrophobicContact CG1-SD 3.84Å; I918-F958 HydrophobicContact CD1-CZ 4.06Å; I918-F958 HydrophobicContact CG1-CE1 4.18Å; I918-F958 HydrophobicContact CG1-CZ 3.91Å
919	E	89.4	Confident	90.7	Very high	156 Å²	156	53.4 Å²	53.4	73%	0.729	27%	0.274	S	S	*	.	H	α-helix	trans	-58.6	-24.3	178.1	-76.7	-174.7	176.7	0	0	114.1	D915 N921	D915-E919 WeakPolarHBondContact O-CG 3.38Å; D915-E919 PolarHBondContact O-N 2.97Å; E919-N921 VanDerWaalsContact C-N 3.34Å
920	Q	90.9	Very high	90.3	Very high	149 Å²	149	54 Å²	54	70%	0.696	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.3	178.4	-67.9	168.4	36.1	0	0	113.8	S916 I917 I918	S916-Q920 WeakPolarHBondContact O-CG 3.15Å; S916-Q920 PolarHBondContact O-NE2 2.65Å; S916-Q920 VanDerWaalsContact O-NE2 3.09Å; I917-Q920 PolarHBondContact O-N 2.87Å; I918-Q920 PolarHBondContact O-N 3.28Å; I918-Q920 VanDerWaalsContact O-N 3.11Å
921	N	90.5	Very high	90.1	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.171	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	155.6	-177.6	-66.6	-84.1	0	0	0	109.9	I917 I918 E919 V923	I917-N921 PolarHBondContact O-ND2 3.24Å; I918-N921 PolarHBondContact O-N 3.45Å; E919-N921 VanDerWaalsContact C-N 3.34Å; N921-V923 HydrophobicContact CB-CB 4.48Å; N921-V923 HydrophobicContact CB-CG2 3.79Å; N921-V923 PolarHBondContact O-N 3.37Å
922	D	91.5	Very high	89.9	Confident	70 Å²	70	53 Å²	53	37%	0.374	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	68.3	174	-173.5	23.6	0	0	0	110	S937 N943 H950	D922-S937 WeakPolarHBondContact O-CB 3.21Å; D922-S937 PolarHBondContact O-OG 3.45Å; D922-N943 PolarHBondContact OD2-ND2 2.88Å; D922-H950 PolarHBondContact N-ND1 2.64Å
923	V	93.2	Very high	89.9	Confident	17 Å²	17	49 Å²	49	10%	0.103	27%	0.265	C	S	.	.			trans	-131.9	131.7	-174	179.8	0	0	0	0	109.5	I918 N921 C935 V936 H950 I951 M954	I918-V923 HydrophobicContact CG2-CB 4.35Å; I918-V923 HydrophobicContact CG2-CG1 4.43Å; I918-V923 WeakPolarHBondContact CG2-O 3.3Å; N921-V923 HydrophobicContact CB-CB 4.48Å; N921-V923 HydrophobicContact CB-CG2 3.79Å; N921-V923 PolarHBondContact O-N 3.37Å; V923-C935 HydrophobicContact CG1-CB 3.62Å; V923-V936 WeakPolarHBondContact CG1-O 3.4Å; V923-H950 HydrophobicContact CG2-CB 3.98Å; V923-I951 HydrophobicContact CB-CD1 4.5Å; V923-I951 HydrophobicContact CG1-CD1 3.77Å; V923-I951 HydrophobicContact CG2-CD1 3.87Å; V923-M954 HydrophobicContact CB-SD 4.18Å; V923-M954 HydrophobicContact CG1-CE 4.41Å; V923-M954 HydrophobicContact CG1-SD 3.68Å; V923-M954 HydrophobicContact CG2-SD 4.12Å
924	Y	91.3	Very high	90.1	Very high	42 Å²	42	46.5 Å²	46.5	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.8	173.2	-178.4	-110.4	0	0	0	110.8	P860 V926 C935 V936 L939 Y998	P860-Y924 HydrophobicContact CB-CE2 4.36Å; P860-Y924 WeakPolarHBondContact CD-OH 3.41Å; P860-Y924 HydrophobicContact CG-CD2 4.25Å; P860-Y924 HydrophobicContact CG-CE1 4.35Å; P860-Y924 HydrophobicContact CG-CE2 3.59Å; Y924-V926 HydrophobicContact CD1-CG2 3.96Å; Y924-V926 HydrophobicContact CE1-CB 4.49Å; Y924-V926 HydrophobicContact CE1-CG2 4.25Å; Y924-V926 PolarHBondContact O-N 3.41Å; Y924-C935 WeakPolarHBondContact O-CA 3.5Å; Y924-V936 HydrophobicContact CD1-CG1 4.24Å; Y924-V936 PolarHBondContact N-O 2.76Å; Y924-V936 PolarHBondContact O-N 3.34Å; Y924-L939 HydrophobicContact CD1-CD1 4.35Å; Y924-Y998 HydrophobicContact CD1-CD1 4.3Å; Y924-Y998 AromaticContact CE1-CD1 3.68Å; Y924-Y998 HydrophobicContact CE1-CD1 3.68Å; Y924-Y998 HydrophobicContact CE1-CG 4.5Å
925	K	91.8	Very high	90.2	Very high	61 Å²	61	46.5 Å²	46.5	27%	0.265	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	111.1	169.5	-179.3	-176.7	179.2	172.5	0	108.7	D915 I918 Y933	D915-K925 VanDerWaalsContact CG-NZ 3.26Å; D915-K925 IonicContact OD1-NZ 3.98Å; D915-K925 PolarHBondContact OD1-NZ 2.78Å; D915-K925 IonicContact OD2-NZ 3.97Å; D915-K925 PolarHBondContact OD2-NZ 3.03Å; I918-K925 HydrophobicContact CD1-CB 4.27Å; I918-K925 HydrophobicContact CD1-CD 4.4Å; I918-K925 HydrophobicContact CD1-CG 4.43Å; I918-K925 HydrophobicContact CG2-CB 4.46Å; K925-Y933 HydrophobicContact CD-CD1 4.2Å; K925-Y933 HydrophobicContact CD-CE1 3.68Å; K925-Y933 HydrophobicContact CG-CD1 4.15Å; K925-Y933 HydrophobicContact CG-CE1 4.14Å; K925-Y933 PolarHBondContact NZ-OH 3.34Å
926	V	90.2	Very high	90.3	Very high	20 Å²	20	43.9 Å²	43.9	12%	0.121	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-56.2	-176.1	-177.3	0	0	0	0	109.7	Y924 L934 V936 L1000	Y924-V926 HydrophobicContact CD1-CG2 3.96Å; Y924-V926 HydrophobicContact CE1-CB 4.49Å; Y924-V926 HydrophobicContact CE1-CG2 4.25Å; Y924-V926 PolarHBondContact O-N 3.41Å; V926-L934 HydrophobicContact CB-CB 4.41Å; V926-L934 HydrophobicContact CB-CD2 4.04Å; V926-L934 HydrophobicContact CB-CG 3.87Å; V926-L934 HydrophobicContact CG1-CD2 3.95Å; V926-L934 HydrophobicContact CG1-CG 4.34Å; V926-L934 HydrophobicContact CG2-CG 4.12Å; V926-L934 PolarHBondContact N-O 2.77Å; V926-V936 HydrophobicContact CG2-CB 4.32Å; V926-V936 HydrophobicContact CG2-CG1 3.7Å; V926-L1000 HydrophobicContact CB-CD1 4.47Å; V926-L1000 HydrophobicContact CG1-CD1 4.25Å; V926-L1000 HydrophobicContact CG1-CG 4.15Å; V926-L1000 HydrophobicContact CG2-CD1 3.49Å; V926-L1000 VanDerWaalsContact CG2-CD1 3.49Å; V926-L1000 HydrophobicContact CG2-CG 4.11Å
927	E	89.4	Confident	90.5	Very high	68 Å²	68	41.5 Å²	41.5	32%	0.318	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	167.7	176.8	61.4	-173.6	165.6	0	0	111	I929 L934 R997	E927-I929 HydrophobicContact CG-CG1 4.08Å; E927-L934 HydrophobicContact CG-CB 4.41Å; E927-L934 HydrophobicContact CG-CD2 4.29Å; E927-L934 PolarHBondContact O-N 3.41Å; E927-R997 IonicContact OE2-NH1 2.68Å
928	T	87.4	Confident	90.5	Very high	58 Å²	58	41.1 Å²	41.1	36%	0.356	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131	166.9	51.6	0	0	0	0	109.2	Y911 G932 Y933	Y911-T928 HydrophobicContact CE2-CG2 4.4Å; T928-G932 CarbonylContact C-O 3.57Å; T928-G932 VanDerWaalsContact CA-O 3.3Å; T928-G932 WeakPolarHBondContact CA-O 3.3Å; T928-Y933 HydrophobicContact CG2-CD2 4.4Å; T928-Y933 HydrophobicContact CG2-CE2 4.14Å
929	I	84.5	Confident	90.4	Very high	84 Å²	84	40.8 Å²	40.8	43%	0.431	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	100.7	178.9	-57	173.7	0	0	0	107.6	F885 E927 D931 G932 L934	F885-I929 HydrophobicContact CE1-CD1 3.8Å; E927-I929 HydrophobicContact CG-CG1 4.08Å; I929-D931 PolarHBondContact O-N 3.44Å; I929-G932 PolarHBondContact N-O 3.45Å; I929-G932 PolarHBondContact O-N 2.87Å; I929-L934 HydrophobicContact CD1-CB 4.27Å; I929-L934 HydrophobicContact CD1-CD2 4.39Å
930	G	80.2	Confident	90.2	Very high	61 Å²	61	34.6 Å²	34.6	63%	0.629	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	-120.8	-169.7	0	0	0	0	0	110.5	Y911	Y911-G930 PolarHBondContact OH-O 3.36Å; Y911-G930 VanDerWaalsContact OH-O 3.08Å
931	D	85.4	Confident	90.1	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.112	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.7	176	52.5	-65.2	0	0	0	113.8	V888 F891 L907 I929	V888-D931 VanDerWaalsContact CA-OD2 3.32Å; V888-D931 WeakPolarHBondContact CA-OD2 3.19Å; V888-D931 HydrophobicContact CB-CB 4.28Å; V888-D931 WeakPolarHBondContact CB-OD2 3.32Å; V888-D931 HydrophobicContact CG2-CB 4.22Å; V888-D931 PolarHBondContact N-OD2 3.23Å; F891-D931 HydrophobicContact CB-CB 4.14Å; F891-D931 VanDerWaalsContact CB-OD2 3.31Å; F891-D931 WeakPolarHBondContact CB-OD2 3.27Å; F891-D931 HydrophobicContact CD1-CB 3.65Å; F891-D931 HydrophobicContact CD2-CB 3.79Å; F891-D931 HydrophobicContact CE1-CB 3.96Å; F891-D931 HydrophobicContact CE2-CB 4.09Å; F891-D931 HydrophobicContact CG-CB 3.56Å; F891-D931 HydrophobicContact CZ-CB 4.17Å; L907-D931 HydrophobicContact CD2-CB 4.47Å; I929-D931 PolarHBondContact O-N 3.44Å
932	G	86.3	Confident	90.1	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	162.5	-176.4	0	0	0	0	0	115.5	S886 T928 I929	S886-G932 WeakPolarHBondContact O-CA 3.16Å; T928-G932 CarbonylContact C-O 3.57Å; T928-G932 VanDerWaalsContact CA-O 3.3Å; T928-G932 WeakPolarHBondContact CA-O 3.3Å; I929-G932 PolarHBondContact N-O 3.45Å; I929-G932 PolarHBondContact O-N 2.87Å
933	Y	91.5	Very high	90.1	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138	174.8	-86.1	-117.1	0	0	0	112.6	S886 Y911 F914 D915 I918 K925 T928	S886-Y933 PolarHBondContact N-O 2.9Å; S886-Y933 PolarHBondContact O-N 2.82Å; S886-Y933 WeakPolarHBondContact OG-CB 3.41Å; S886-Y933 PolarHBondContact OG-N 2.99Å; S886-Y933 PolarHBondContact OG-O 3.31Å; Y911-Y933 VanDerWaalsContact CA-OH 3.26Å; Y911-Y933 WeakPolarHBondContact CA-OH 3.26Å; Y911-Y933 VanDerWaalsContact CB-OH 3.29Å; Y911-Y933 WeakPolarHBondContact CB-OH 3.48Å; Y911-Y933 AromaticContact CD1-CE2 3.38Å; Y911-Y933 HydrophobicContact CD1-CE2 3.38Å; Y911-Y933 AromaticContact CD1-CZ 3.86Å; Y911-Y933 WeakPolarHBondContact CD1-OH 3.34Å; Y911-Y933 HydrophobicContact CE1-CD2 4.39Å; Y911-Y933 AromaticContact CE1-CE2 3.56Å; Y911-Y933 HydrophobicContact CE1-CE2 3.56Å; Y911-Y933 HydrophobicContact CG-CE2 4.2Å; Y911-Y933 PolarHBondContact O-OH 2.68Å; F914-Y933 HydrophobicContact CB-CE1 4.21Å; F914-Y933 HydrophobicContact CB-CE2 4.2Å; F914-Y933 AromaticContact CD2-CD2 3.9Å; F914-Y933 HydrophobicContact CD2-CD2 3.9Å; F914-Y933 AromaticContact CD2-CE2 3.65Å; F914-Y933 HydrophobicContact CD2-CE2 3.65Å; F914-Y933 HydrophobicContact CG-CE2 4.45Å; D915-Y933 WeakPolarHBondContact OD1-CE1 3.45Å; D915-Y933 PolarHBondContact OD1-OH 3.15Å; I918-Y933 HydrophobicContact CD1-CD1 3.64Å; I918-Y933 HydrophobicContact CD1-CE1 3.57Å; K925-Y933 HydrophobicContact CD-CD1 4.2Å; K925-Y933 HydrophobicContact CD-CE1 3.68Å; K925-Y933 HydrophobicContact CG-CD1 4.15Å; K925-Y933 HydrophobicContact CG-CE1 4.14Å; K925-Y933 PolarHBondContact NZ-OH 3.34Å; T928-Y933 HydrophobicContact CG2-CD2 4.4Å; T928-Y933 HydrophobicContact CG2-CE2 4.14Å
934	L	94.4	Very high	90.1	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.1	161.8	175.7	55.7	0	0	0	109.7	I883 F884 F885 V926 E927 I929	I883-L934 HydrophobicContact CG2-CD1 3.68Å; F884-L934 WeakPolarHBondContact O-CA 3.35Å; F884-L934 WeakPolarHBondContact O-CD1 3.17Å; F885-L934 HydrophobicContact CD1-CD1 4.48Å; F885-L934 HydrophobicContact CD2-CD1 3.77Å; F885-L934 HydrophobicContact CE1-CD1 4.11Å; F885-L934 HydrophobicContact CE2-CD1 3.35Å; F885-L934 HydrophobicContact CG-CD1 4.34Å; F885-L934 HydrophobicContact CZ-CD1 3.53Å; F885-L934 HydrophobicContact CZ-CD2 4.15Å; F885-L934 HydrophobicContact CZ-CG 4.33Å; V926-L934 HydrophobicContact CB-CB 4.41Å; V926-L934 HydrophobicContact CB-CD2 4.04Å; V926-L934 HydrophobicContact CB-CG 3.87Å; V926-L934 HydrophobicContact CG1-CD2 3.95Å; V926-L934 HydrophobicContact CG1-CG 4.34Å; V926-L934 HydrophobicContact CG2-CG 4.12Å; V926-L934 PolarHBondContact N-O 2.77Å; E927-L934 HydrophobicContact CG-CB 4.41Å; E927-L934 HydrophobicContact CG-CD2 4.29Å; E927-L934 PolarHBondContact O-N 3.41Å; I929-L934 HydrophobicContact CD1-CB 4.27Å; I929-L934 HydrophobicContact CD1-CD2 4.39Å
935	C	94.9	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.4	178.9	-67.4	0	0	0	0	110.6	F884 V923 Y924 M954	F884-C935 HydrophobicContact CB-CB 4.07Å; F884-C935 HydrophobicContact CD1-CB 3.9Å; F884-C935 HydrophobicContact CG-CB 4.32Å; F884-C935 PolarHBondContact N-O 2.77Å; F884-C935 PolarHBondContact O-N 2.65Å; V923-C935 HydrophobicContact CG1-CB 3.62Å; Y924-C935 WeakPolarHBondContact O-CA 3.5Å; C935-M954 HydrophobicContact CB-CE 3.82Å; C935-M954 HydrophobicContact CB-SD 4.15Å
936	V	95.4	Very high	90.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.3	179.8	67.2	0	0	0	0	110.8	V881 T882 I883 V923 Y924 V926 L939 L1000	V881-V936 HydrophobicContact CB-CG2 3.94Å; V881-V936 HydrophobicContact CG2-CG2 4.02Å; T882-V936 WeakPolarHBondContact O-CA 3.44Å; T882-V936 WeakPolarHBondContact O-CG2 3.35Å; I883-V936 HydrophobicContact CG1-CG2 4.14Å; V923-V936 WeakPolarHBondContact CG1-O 3.4Å; Y924-V936 HydrophobicContact CD1-CG1 4.24Å; Y924-V936 PolarHBondContact N-O 2.76Å; Y924-V936 PolarHBondContact O-N 3.34Å; V926-V936 HydrophobicContact CG2-CB 4.32Å; V926-V936 HydrophobicContact CG2-CG1 3.7Å; V936-L939 HydrophobicContact CB-CG 4.47Å; V936-L939 HydrophobicContact CG1-CD1 3.34Å; V936-L939 HydrophobicContact CG1-CD2 4.32Å; V936-L939 HydrophobicContact CG1-CG 3.72Å; V936-L939 HydrophobicContact CG2-CD1 4.44Å; V936-L939 HydrophobicContact CG2-CD2 4.01Å; V936-L939 HydrophobicContact CG2-CG 3.89Å; V936-L1000 HydrophobicContact CB-CD1 3.93Å; V936-L1000 HydrophobicContact CG1-CD1 3.91Å; V936-L1000 HydrophobicContact CG2-CD1 4.18Å
937	S	95.8	Very high	90.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.9	167.9	176.9	0	0	0	0	110.3	V881 T882 D922 N943 H947	V881-S937 WeakPolarHBondContact CB-O 3.17Å; T882-S937 PolarHBondContact N-O 3.3Å; T882-S937 VanDerWaalsContact N-O 3.1Å; T882-S937 PolarHBondContact O-N 2.77Å; D922-S937 WeakPolarHBondContact O-CB 3.21Å; D922-S937 PolarHBondContact O-OG 3.45Å; S937-N943 PolarHBondContact OG-ND2 3.45Å; S937-H947 VanDerWaalsContact C-CB 3.44Å; S937-H947 WeakPolarHBondContact CB-O 2.82Å; S937-H947 VanDerWaalsContact O-CB 3.31Å; S937-H947 WeakPolarHBondContact O-CB 3.22Å; S937-H947 WeakPolarHBondContact OG-CA 3.28Å; S937-H947 VanDerWaalsContact OG-CB 3.28Å; S937-H947 WeakPolarHBondContact OG-CB 3.43Å
938	G	93.1	Very high	90.8	Very high	4 Å²	4	36.1 Å²	36.1	4%	0.041	21%	0.208	C	C	.	.	S	Bend	trans	95.2	2.8	-173.4	0	0	0	0	0	113.3	F878 H941 N943	F878-G938 WeakPolarHBondContact CD1-O 3.2Å; G938-H941 CarbonylContact C-O 3.54Å; G938-H941 WeakPolarHBondContact CA-O 3.44Å; G938-N943 WeakPolarHBondContact CA-OD1 3.44Å
939	L	90.8	Very high	91.2	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-150.9	159	169.6	69.6	74.4	0	0	0	110.4	F878 V881 Y924 V936 H941 V986 A988 Y998 L1000	F878-L939 HydrophobicContact CD1-CB 3.57Å; F878-L939 HydrophobicContact CD2-CB 4.1Å; F878-L939 HydrophobicContact CD2-CD2 4.09Å; F878-L939 HydrophobicContact CE1-CB 3.54Å; F878-L939 HydrophobicContact CE2-CB 4.08Å; F878-L939 HydrophobicContact CG-CB 3.87Å; F878-L939 HydrophobicContact CG-CD2 4.19Å; F878-L939 HydrophobicContact CZ-CB 3.82Å; V881-L939 HydrophobicContact CG1-CB 4.26Å; V881-L939 HydrophobicContact CG1-CD2 3.94Å; V881-L939 HydrophobicContact CG1-CG 4.23Å; Y924-L939 HydrophobicContact CD1-CD1 4.35Å; V936-L939 HydrophobicContact CB-CG 4.47Å; V936-L939 HydrophobicContact CG1-CD1 3.34Å; V936-L939 HydrophobicContact CG1-CD2 4.32Å; V936-L939 HydrophobicContact CG1-CG 3.72Å; V936-L939 HydrophobicContact CG2-CD1 4.44Å; V936-L939 HydrophobicContact CG2-CD2 4.01Å; V936-L939 HydrophobicContact CG2-CG 3.89Å; L939-H941 PolarHBondContact N-O 3.08Å; L939-V986 HydrophobicContact CD2-CG2 3.59Å; L939-A988 HydrophobicContact CD2-CB 4.27Å; L939-Y998 HydrophobicContact CD1-CE1 3.96Å; L939-L1000 HydrophobicContact CD1-CD2 4.04Å; L939-L1000 HydrophobicContact CD2-CD2 3.3Å; L939-L1000 HydrophobicContact CG-CD2 4.3Å
940	P	85.7	Confident	91.7	Very high	25 Å²	25	34.4 Å²	34.4	16%	0.162	19%	0.193	C	C	.	.	S	Bend	cis	-65.7	-14	-9.3	31.6	-36.9	0	0	0	112.2	P860 Y998	P860-P940 HydrophobicContact CB-CG 3.84Å; P860-P940 HydrophobicContact CG-CG 4.21Å; P940-Y998 HydrophobicContact CB-CE1 4.22Å
941	H	88	Confident	92.6	Very high	105 Å²	105	31.5 Å²	31.5	49%	0.486	16%	0.163	S	C	.	.	S	Bend	trans	-92.3	125.2	173.8	-60.5	-63.1	0	0	0	110.7	G938 L939	G938-H941 CarbonylContact C-O 3.54Å; G938-H941 WeakPolarHBondContact CA-O 3.44Å; L939-H941 PolarHBondContact N-O 3.08Å
942	R	91.3	Very high	93.1	Very high	131 Å²	131	30.5 Å²	30.5	49%	0.494	16%	0.158	S	C	.	.			trans	-77.2	122.4	175.8	-63.2	174.5	-173.3	-99.8	-2.1	109.2	E876 T877 F878	E876-R942 IonicContact OE1-CZ 3.03Å; E876-R942 IonicContact OE1-NE 3.63Å; E876-R942 PolarHBondContact OE1-NE 2.79Å; E876-R942 IonicContact OE1-NH2 3.56Å; E876-R942 PolarHBondContact OE1-NH2 2.99Å; T877-R942 PolarHBondContact O-NH2 3.21Å; F878-R942 HydrophobicContact CD1-CG 3.95Å; F878-R942 HydrophobicContact CE1-CG 3.96Å
943	N	92.6	Very high	93.5	Very high	28 Å²	28	34.2 Å²	34.2	15%	0.15	17%	0.172	C	C	.	.			trans	-120.1	36.7	-177.4	63.3	6.6	0	0	0	112.9	D922 S937 G938 H945 D946 H947	D922-N943 PolarHBondContact OD2-ND2 2.88Å; S937-N943 PolarHBondContact OG-ND2 3.45Å; G938-N943 WeakPolarHBondContact CA-OD1 3.44Å; N943-H945 PolarHBondContact O-N 2.93Å; N943-D946 WeakPolarHBondContact O-CB 2.89Å; N943-D946 PolarHBondContact O-N 3.47Å; N943-D946 VanDerWaalsContact O-N 3.1Å; N943-H947 WeakPolarHBondContact OD1-CA 3.49Å; N943-H947 VanDerWaalsContact OD1-CB 3.24Å; N943-H947 WeakPolarHBondContact OD1-CB 3.44Å; N943-H947 PolarHBondContact OD1-N 2.86Å
944	G	92	Very high	93.8	Very high	57 Å²	57	34.2 Å²	34.2	59%	0.588	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	-127.3	176.6	0	0	0	0	0	111.7	H947	G944-H947 PolarHBondContact O-CD2 2.95Å; G944-H947 PolarHBondContact O-NE2 2.89Å
945	H	92.9	Very high	93.8	Very high	95 Å²	95	34 Å²	34	44%	0.44	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.3	172.5	-65.3	-46.5	0	0	0	113.2	N943 H947 I948 V1033 V1034	N943-H945 PolarHBondContact O-N 2.93Å; H945-H947 PolarHBondContact O-N 2.8Å; H945-H947 VanDerWaalsContact O-N 3.15Å; H945-I948 VanDerWaalsContact O-CG2 3.27Å; H945-I948 WeakPolarHBondContact O-CG2 3.36Å; H945-V1033 HydrophobicContact CB-CG1 4.14Å; H945-V1034 HydrophobicContact CB-CG2 4Å; H945-V1034 WeakPolarHBondContact O-CG2 3.41Å
946	D	93.5	Very high	93.8	Very high	76 Å²	76	35.9 Å²	35.9	41%	0.406	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.6	-179.5	-79.3	-39.9	0	0	0	112.5	N943 I948 K949 H950	N943-D946 WeakPolarHBondContact O-CB 2.89Å; N943-D946 PolarHBondContact O-N 3.47Å; N943-D946 VanDerWaalsContact O-N 3.1Å; D946-I948 PolarHBondContact O-N 2.72Å; D946-I948 VanDerWaalsContact O-N 3.15Å; D946-K949 WeakPolarHBondContact O-CB 3.08Å; D946-K949 PolarHBondContact O-N 2.84Å; D946-H950 PolarHBondContact O-CD2 3.03Å; D946-H950 VanDerWaalsContact O-CD2 3.29Å; D946-H950 PolarHBondContact O-N 3.24Å; D946-H950 VanDerWaalsContact O-N 3.1Å
947	H	95.5	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-53.4	-38.1	177.5	52.2	75.3	0	0	0	114.3	T882 S937 N943 G944 H945 K949 I951	T882-H947 PolarHBondContact OG1-ND1 3.29Å; S937-H947 VanDerWaalsContact C-CB 3.44Å; S937-H947 WeakPolarHBondContact CB-O 2.82Å; S937-H947 VanDerWaalsContact O-CB 3.31Å; S937-H947 WeakPolarHBondContact O-CB 3.22Å; S937-H947 WeakPolarHBondContact OG-CA 3.28Å; S937-H947 VanDerWaalsContact OG-CB 3.28Å; S937-H947 WeakPolarHBondContact OG-CB 3.43Å; N943-H947 WeakPolarHBondContact OD1-CA 3.49Å; N943-H947 VanDerWaalsContact OD1-CB 3.24Å; N943-H947 WeakPolarHBondContact OD1-CB 3.44Å; N943-H947 PolarHBondContact OD1-N 2.86Å; G944-H947 PolarHBondContact O-CD2 2.95Å; G944-H947 PolarHBondContact O-NE2 2.89Å; H945-H947 PolarHBondContact O-N 2.8Å; H945-H947 VanDerWaalsContact O-N 3.15Å; H947-K949 VanDerWaalsContact C-N 3.31Å; H947-K949 PolarHBondContact O-N 3.33Å; H947-I951 WeakPolarHBondContact O-CG1 3.39Å; H947-I951 PolarHBondContact O-N 2.64Å
948	I	96.5	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.8	-34.5	-179.6	-169.8	50.2	0	0	0	111.5	T882 H945 D946 A952 I981 A1026 L1029 L1030 V1034	T882-I948 HydrophobicContact CG2-CD1 3.54Å; T882-I948 VanDerWaalsContact OG1-CA 3.3Å; T882-I948 WeakPolarHBondContact OG1-CA 3.39Å; T882-I948 PolarHBondContact OG1-N 3.28Å; H945-I948 VanDerWaalsContact O-CG2 3.27Å; H945-I948 WeakPolarHBondContact O-CG2 3.36Å; D946-I948 PolarHBondContact O-N 2.72Å; D946-I948 VanDerWaalsContact O-N 3.15Å; I948-A952 WeakPolarHBondContact O-CB 3.42Å; I948-A952 PolarHBondContact O-N 3.21Å; I948-I981 HydrophobicContact CD1-CG2 4.08Å; I948-A1026 HydrophobicContact CD1-CB 4.09Å; I948-L1029 HydrophobicContact CB-CB 4.27Å; I948-L1029 HydrophobicContact CG1-CB 4.05Å; I948-L1029 HydrophobicContact CG2-CB 4.11Å; I948-L1030 HydrophobicContact CD1-CD1 4.27Å; I948-L1030 HydrophobicContact CD1-CD2 4.22Å; I948-L1030 HydrophobicContact CD1-CG 3.95Å; I948-L1030 HydrophobicContact CG1-CD1 4.37Å; I948-L1030 HydrophobicContact CG1-CD2 3.62Å; I948-L1030 HydrophobicContact CG1-CG 3.51Å; I948-V1034 HydrophobicContact CG2-CB 4.31Å; I948-V1034 HydrophobicContact CG2-CG2 3.64Å
949	K	94.8	Very high	93.7	Very high	61 Å²	61	39 Å²	39	27%	0.265	20%	0.2	S	C	.	.	H	α-helix	trans	-69.9	-43.9	179.3	-179.2	-176.7	-179.9	-178.9	0	111.2	D946 H947 A952 R953 V1034 F1037	D946-K949 WeakPolarHBondContact O-CB 3.08Å; D946-K949 PolarHBondContact O-N 2.84Å; H947-K949 VanDerWaalsContact C-N 3.31Å; H947-K949 PolarHBondContact O-N 3.33Å; K949-A952 PolarHBondContact O-N 3.48Å; K949-R953 VanDerWaalsContact CE-NH1 3.29Å; K949-R953 WeakPolarHBondContact O-CB 3.47Å; K949-R953 WeakPolarHBondContact O-CG 3.36Å; K949-R953 PolarHBondContact O-N 3.17Å; K949-V1034 HydrophobicContact CB-CG1 4.27Å; K949-V1034 HydrophobicContact CD-CG1 4.24Å; K949-F1037 HydrophobicContact CB-CE2 4.25Å; K949-F1037 HydrophobicContact CB-CZ 4.42Å; K949-F1037 HydrophobicContact CG-CE2 3.97Å; K949-F1037 HydrophobicContact CG-CZ 3.93Å
950	H	96	Very high	93.7	Very high	44 Å²	44	42.4 Å²	42.4	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-45	176.6	-74.7	-64.7	0	0	0	111.9	D922 V923 D946 M954	D922-H950 PolarHBondContact N-ND1 2.64Å; V923-H950 HydrophobicContact CG2-CB 3.98Å; D946-H950 PolarHBondContact O-CD2 3.03Å; D946-H950 VanDerWaalsContact O-CD2 3.29Å; D946-H950 PolarHBondContact O-N 3.24Å; D946-H950 VanDerWaalsContact O-N 3.1Å; H950-M954 VanDerWaalsContact O-CB 3.3Å; H950-M954 WeakPolarHBondContact O-CB 3.39Å; H950-M954 PolarHBondContact O-N 3.01Å
951	I	97.3	Very high	94	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-41.5	176.6	-66.9	-66.8	0	0	0	111.8	T882 F884 V923 H947 M954 S955 I981	T882-I951 HydrophobicContact CG2-CB 3.63Å; T882-I951 HydrophobicContact CG2-CG1 3.74Å; T882-I951 HydrophobicContact CG2-CG2 3.67Å; F884-I951 HydrophobicContact CB-CD1 3.98Å; F884-I951 HydrophobicContact CB-CG2 3.85Å; F884-I951 HydrophobicContact CD2-CG2 4.23Å; V923-I951 HydrophobicContact CB-CD1 4.5Å; V923-I951 HydrophobicContact CG1-CD1 3.77Å; V923-I951 HydrophobicContact CG2-CD1 3.87Å; H947-I951 WeakPolarHBondContact O-CG1 3.39Å; H947-I951 PolarHBondContact O-N 2.64Å; I951-M954 HydrophobicContact CD1-CE 3.93Å; I951-M954 PolarHBondContact O-N 3.13Å; I951-S955 VanDerWaalsContact O-CB 3.31Å; I951-S955 WeakPolarHBondContact O-CB 3.44Å; I951-S955 PolarHBondContact O-N 2.88Å; I951-S955 PolarHBondContact O-OG 2.91Å; I951-I981 HydrophobicContact CG2-CD1 3.95Å; I951-I981 HydrophobicContact CG2-CG1 4.05Å; I951-I981 HydrophobicContact CG2-CG2 4.03Å
952	A	96.6	Very high	94.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-44.1	177.6	0	0	0	0	0	112.4	I948 K949 S955 L956 L1030 F1037 L1058	I948-A952 WeakPolarHBondContact O-CB 3.42Å; I948-A952 PolarHBondContact O-N 3.21Å; K949-A952 PolarHBondContact O-N 3.48Å; A952-S955 PolarHBondContact O-N 3.48Å; A952-L956 WeakPolarHBondContact O-CG 3.34Å; A952-L956 PolarHBondContact O-N 2.93Å; A952-L1030 HydrophobicContact CB-CD2 3.71Å; A952-F1037 HydrophobicContact CB-CD1 4.1Å; A952-F1037 HydrophobicContact CB-CE1 3.62Å; A952-F1037 HydrophobicContact CB-CZ 3.87Å; A952-L1058 HydrophobicContact CB-CD2 3.68Å
953	R	95.9	Very high	93.7	Very high	81 Å²	81	34.8 Å²	34.8	31%	0.306	21%	0.207	S	C	.	.	H	α-helix	trans	-63.1	-48.2	175.3	-79.4	174.8	173.6	-172.7	-6.9	112.8	K949 S955 L956 A957 F1037 E1061	K949-R953 VanDerWaalsContact CE-NH1 3.29Å; K949-R953 WeakPolarHBondContact O-CB 3.47Å; K949-R953 WeakPolarHBondContact O-CG 3.36Å; K949-R953 PolarHBondContact O-N 3.17Å; R953-S955 VanDerWaalsContact C-N 3.26Å; R953-S955 PolarHBondContact O-N 3.33Å; R953-L956 PolarHBondContact O-N 3.03Å; R953-A957 WeakPolarHBondContact O-CB 3.35Å; R953-A957 PolarHBondContact O-N 2.89Å; R953-F1037 HydrophobicContact CG-CE1 4.43Å; R953-F1037 HydrophobicContact CG-CZ 4.27Å; R953-E1061 WeakPolarHBondContact CG-OE1 3.33Å; R953-E1061 IonicContact CZ-OE1 2.81Å; R953-E1061 IonicContact CZ-OE2 3.11Å; R953-E1061 IonicContact NE-OE1 2.73Å; R953-E1061 PolarHBondContact NE-OE1 2.95Å; R953-E1061 IonicContact NE-OE2 2.76Å; R953-E1061 IonicContact NH2-OE1 3.12Å; R953-E1061 IonicContact NH2-OE2 3.97Å; R953-E1061 PolarHBondContact NH2-OE2 3.44Å; R953-E1061 VanDerWaalsContact NH2-OE2 3.15Å
954	M	96.2	Very high	93.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.5	-43.9	174.6	-178.1	-166.3	73.1	0	0	110.8	F884 I917 I918 V923 C935 H950 I951 A957 F958	F884-M954 HydrophobicContact CB-CE 3.84Å; F884-M954 HydrophobicContact CD1-CE 3.61Å; F884-M954 HydrophobicContact CD2-CE 3.43Å; F884-M954 VanDerWaalsContact CD2-CE 3.43Å; F884-M954 HydrophobicContact CE1-CE 3.91Å; F884-M954 HydrophobicContact CE2-CE 3.72Å; F884-M954 HydrophobicContact CG-CE 3.35Å; F884-M954 HydrophobicContact CZ-CE 3.97Å; I917-M954 HydrophobicContact CG2-CG 4.21Å; I918-M954 HydrophobicContact CG1-SD 3.84Å; V923-M954 HydrophobicContact CB-SD 4.18Å; V923-M954 HydrophobicContact CG1-CE 4.41Å; V923-M954 HydrophobicContact CG1-SD 3.68Å; V923-M954 HydrophobicContact CG2-SD 4.12Å; C935-M954 HydrophobicContact CB-CE 3.82Å; C935-M954 HydrophobicContact CB-SD 4.15Å; H950-M954 VanDerWaalsContact O-CB 3.3Å; H950-M954 WeakPolarHBondContact O-CB 3.39Å; H950-M954 PolarHBondContact O-N 3.01Å; I951-M954 HydrophobicContact CD1-CE 3.93Å; I951-M954 PolarHBondContact O-N 3.13Å; M954-A957 PolarHBondContact O-N 2.96Å; M954-F958 HydrophobicContact CG-CD1 3.89Å; M954-F958 HydrophobicContact CG-CE1 3.52Å; M954-F958 HydrophobicContact CG-CZ 4.14Å; M954-F958 WeakPolarHBondContact O-CD1 3.31Å; M954-F958 PolarHBondContact O-N 2.94Å; M954-F958 HydrophobicContact SD-CE1 4.19Å; M954-F958 HydrophobicContact SD-CZ 4.23Å
955	S	96.1	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-43.4	-179.7	-56.6	0	0	0	0	112.7	F884 I951 A952 R953 F958 L959 I981	F884-S955 WeakPolarHBondContact CD2-OG 3.46Å; F884-S955 VanDerWaalsContact CE2-OG 3.23Å; F884-S955 WeakPolarHBondContact CE2-OG 3.44Å; I951-S955 VanDerWaalsContact O-CB 3.31Å; I951-S955 WeakPolarHBondContact O-CB 3.44Å; I951-S955 PolarHBondContact O-N 2.88Å; I951-S955 PolarHBondContact O-OG 2.91Å; A952-S955 PolarHBondContact O-N 3.48Å; R953-S955 VanDerWaalsContact C-N 3.26Å; R953-S955 PolarHBondContact O-N 3.33Å; S955-F958 PolarHBondContact O-N 3.03Å; S955-L959 PolarHBondContact O-N 2.94Å; S955-I981 WeakPolarHBondContact OG-CD1 3.49Å
956	L	95	Very high	92.3	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-41.9	175.6	-70	168.5	0	0	0	111.2	A952 R953 L959 S960 I1020 F1037 L1058 E1061	A952-L956 WeakPolarHBondContact O-CG 3.34Å; A952-L956 PolarHBondContact O-N 2.93Å; R953-L956 PolarHBondContact O-N 3.03Å; L956-L959 PolarHBondContact O-N 3.19Å; L956-S960 PolarHBondContact O-N 3.46Å; L956-S960 PolarHBondContact O-OG 3.38Å; L956-I1020 HydrophobicContact CD2-CD1 3.81Å; L956-I1020 HydrophobicContact CG-CD1 4.14Å; L956-F1037 HydrophobicContact CD1-CD1 4.5Å; L956-F1037 HydrophobicContact CD1-CE1 4.36Å; L956-L1058 HydrophobicContact CG-CD2 4.39Å; L956-E1061 HydrophobicContact CD1-CG 4.48Å
957	A	93.8	Very high	91.8	Very high	29 Å²	29	36.2 Å²	36.2	24%	0.24	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-36.8	177.5	0	0	0	0	0	112.9	I917 R953 M954 S960 S961	I917-A957 HydrophobicContact CD1-CB 4.48Å; I917-A957 HydrophobicContact CG2-CB 3.63Å; R953-A957 WeakPolarHBondContact O-CB 3.35Å; R953-A957 PolarHBondContact O-N 2.89Å; M954-A957 PolarHBondContact O-N 2.96Å; A957-S960 WeakPolarHBondContact CA-OG 3.5Å; A957-S960 PolarHBondContact O-N 3.31Å; A957-S960 PolarHBondContact O-OG 3.36Å; A957-S961 WeakPolarHBondContact O-CB 3.48Å; A957-S961 PolarHBondContact O-N 3.36Å; A957-S961 PolarHBondContact O-OG 3.46Å
958	F	94.1	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-50.8	173.2	-87.4	36.1	0	0	0	110.3	F884 F914 I917 I918 M954 S955 S960 S961 L962 L977 I979	F884-F958 HydrophobicContact CE1-CD2 4.28Å; F884-F958 HydrophobicContact CE1-CE2 4Å; F884-F958 AromaticContact CZ-CD2 3.71Å; F884-F958 HydrophobicContact CZ-CD2 3.71Å; F884-F958 AromaticContact CZ-CE2 3.89Å; F884-F958 HydrophobicContact CZ-CE2 3.89Å; F884-F958 HydrophobicContact CZ-CG 4.49Å; F914-F958 HydrophobicContact CB-CE1 4.23Å; F914-F958 HydrophobicContact CB-CE2 4.01Å; F914-F958 HydrophobicContact CB-CZ 3.69Å; F914-F958 HydrophobicContact CD1-CD1 4.42Å; F914-F958 HydrophobicContact CD1-CD2 4.14Å; F914-F958 HydrophobicContact CD1-CE1 4.45Å; F914-F958 HydrophobicContact CD1-CE2 4.17Å; F914-F958 HydrophobicContact CD1-CG 4.27Å; F914-F958 HydrophobicContact CD1-CZ 4.33Å; F914-F958 HydrophobicContact CD2-CD2 4.33Å; F914-F958 AromaticContact CD2-CE2 3.94Å; F914-F958 HydrophobicContact CD2-CE2 3.94Å; F914-F958 HydrophobicContact CD2-CZ 4.47Å; F914-F958 HydrophobicContact CE1-CD2 4.29Å; F914-F958 HydrophobicContact CE1-CG 4.43Å; F914-F958 HydrophobicContact CE2-CD2 4.47Å; F914-F958 HydrophobicContact CE2-CE2 4.46Å; F914-F958 HydrophobicContact CG-CD2 4.18Å; F914-F958 HydrophobicContact CG-CE1 4.45Å; F914-F958 AromaticContact CG-CE2 3.78Å; F914-F958 HydrophobicContact CG-CE2 3.78Å; F914-F958 AromaticContact CG-CZ 3.94Å; F914-F958 HydrophobicContact CG-CZ 3.94Å; F914-F958 HydrophobicContact CZ-CD2 4.45Å; I917-F958 HydrophobicContact CB-CD1 4.09Å; I917-F958 HydrophobicContact CB-CE1 3.81Å; I917-F958 HydrophobicContact CD1-CD1 3.94Å; I917-F958 HydrophobicContact CD1-CE1 4.34Å; I917-F958 HydrophobicContact CG2-CD1 3.75Å; I917-F958 HydrophobicContact CG2-CE1 3.74Å; I918-F958 HydrophobicContact CD1-CZ 4.06Å; I918-F958 HydrophobicContact CG1-CE1 4.18Å; I918-F958 HydrophobicContact CG1-CZ 3.91Å; M954-F958 HydrophobicContact CG-CD1 3.89Å; M954-F958 HydrophobicContact CG-CE1 3.52Å; M954-F958 HydrophobicContact CG-CZ 4.14Å; M954-F958 WeakPolarHBondContact O-CD1 3.31Å; M954-F958 PolarHBondContact O-N 2.94Å; M954-F958 HydrophobicContact SD-CE1 4.19Å; M954-F958 HydrophobicContact SD-CZ 4.23Å; S955-F958 PolarHBondContact O-N 3.03Å; F958-S960 PolarHBondContact O-N 3.2Å; F958-S961 PolarHBondContact O-N 3.2Å; F958-S961 PolarHBondContact O-OG 3.39Å; F958-L962 WeakPolarHBondContact O-CG 3.49Å; F958-L962 PolarHBondContact O-N 3.4Å; F958-L977 HydrophobicContact CB-CD1 4.26Å; F958-L977 HydrophobicContact CD2-CD1 4.11Å; F958-I979 HydrophobicContact CB-CD1 4.42Å
959	L	92.8	Very high	90.3	Very high	39 Å²	39	42.7 Å²	42.7	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-38.1	179	-67.4	-173.8	0	0	0	112.9	S955 L956 L962 L977 I979 I1020	S955-L959 PolarHBondContact O-N 2.94Å; L956-L959 PolarHBondContact O-N 3.19Å; L959-L962 PolarHBondContact O-N 2.92Å; L959-L977 HydrophobicContact CD2-CB 4.02Å; L959-I979 HydrophobicContact CD1-CD1 4.37Å; L959-I979 HydrophobicContact CD2-CD1 3.87Å; L959-I979 HydrophobicContact CG-CD1 3.82Å; L959-I1020 HydrophobicContact CD1-CD1 3.93Å; L959-I1020 HydrophobicContact CD1-CG1 3.7Å
960	S	91.7	Very high	89.8	Confident	78 Å²	78	41.3 Å²	41.3	55%	0.545	23%	0.229	S	C	.	.	H	α-helix	trans	-68	-38.6	177.5	65.8	0	0	0	0	112.3	L956 A957 F958 L962 A963	L956-S960 PolarHBondContact O-N 3.46Å; L956-S960 PolarHBondContact O-OG 3.38Å; A957-S960 WeakPolarHBondContact CA-OG 3.5Å; A957-S960 PolarHBondContact O-N 3.31Å; A957-S960 PolarHBondContact O-OG 3.36Å; F958-S960 PolarHBondContact O-N 3.2Å; S960-L962 PolarHBondContact O-N 2.91Å; S960-A963 WeakPolarHBondContact O-CB 3.44Å; S960-A963 PolarHBondContact O-N 2.86Å
961	S	91	Very high	89	Confident	26 Å²	26	43.2 Å²	43.2	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-30.1	178.3	73	0	0	0	0	113.3	A957 F958 A963 E964 F965	A957-S961 WeakPolarHBondContact O-CB 3.48Å; A957-S961 PolarHBondContact O-N 3.36Å; A957-S961 PolarHBondContact O-OG 3.46Å; F958-S961 PolarHBondContact O-N 3.2Å; F958-S961 PolarHBondContact O-OG 3.39Å; S961-A963 VanDerWaalsContact C-N 3.32Å; S961-A963 PolarHBondContact O-N 3.17Å; S961-E964 PolarHBondContact O-N 3.04Å; S961-F965 PolarHBondContact O-N 2.99Å
962	L	89.9	Confident	88.2	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.052	28%	0.281	C	S	.	.	H	α-helix	trans	-75.8	-16.9	179.3	-68.9	174.6	0	0	0	114.1	L910 F914 F958 L959 S960 E964 F965 I975 L977	L910-L962 HydrophobicContact CD1-CD2 3.8Å; F914-L962 HydrophobicContact CE1-CD2 4.19Å; F914-L962 HydrophobicContact CE1-CG 4.39Å; F914-L962 HydrophobicContact CZ-CD1 4.38Å; F914-L962 HydrophobicContact CZ-CD2 4.11Å; F914-L962 HydrophobicContact CZ-CG 4.46Å; F958-L962 WeakPolarHBondContact O-CG 3.49Å; F958-L962 PolarHBondContact O-N 3.4Å; L959-L962 PolarHBondContact O-N 2.92Å; S960-L962 PolarHBondContact O-N 2.91Å; L962-E964 PolarHBondContact O-N 3.36Å; L962-F965 HydrophobicContact CD2-CB 4.07Å; L962-F965 HydrophobicContact CD2-CD1 4.42Å; L962-F965 HydrophobicContact CD2-CG 4.28Å; L962-F965 PolarHBondContact O-N 3.37Å; L962-I975 HydrophobicContact CD2-CG2 4.3Å; L962-L977 HydrophobicContact CD1-CB 4.16Å; L962-L977 HydrophobicContact CD1-CD1 3.5Å; L962-L977 HydrophobicContact CD1-CG 3.45Å; L962-L977 VanDerWaalsContact CD1-CG 3.45Å
963	A	83.3	Confident	87.6	Confident	66 Å²	66	51.2 Å²	51.2	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-35.5	174.8	0	0	0	0	0	111.3	S960 S961 R966	S960-A963 WeakPolarHBondContact O-CB 3.44Å; S960-A963 PolarHBondContact O-N 2.86Å; S961-A963 VanDerWaalsContact C-N 3.32Å; S961-A963 PolarHBondContact O-N 3.17Å; A963-R966 PolarHBondContact O-NH1 3.07Å; A963-R966 PolarHBondContact O-NH2 2.99Å
964	E	81.5	Confident	87	Confident	165 Å²	165	54.2 Å²	54.2	77%	0.771	31%	0.306	S	S	*	.	H	α-helix	trans	-95.8	-21.4	-178.2	-64	-178.5	-179.9	0	0	113	S961 L962 R966	S961-E964 PolarHBondContact O-N 3.04Å; L962-E964 PolarHBondContact O-N 3.36Å; E964-R966 PolarHBondContact O-N 3.27Å; E964-R966 PolarHBondContact O-NH1 3.38Å
965	F	85.6	Confident	86.6	Confident	19 Å²	19	55 Å²	55	8%	0.083	31%	0.31	C	S	.	.			trans	-60.8	132.7	-179.2	-171.8	-98.3	0	0	0	113.4	L906 D909 L910 I913 S961 L962 V967 I975	L906-F965 HydrophobicContact CD1-CE1 3.97Å; L906-F965 HydrophobicContact CD1-CZ 4.03Å; D909-F965 HydrophobicContact CB-CE2 4.2Å; D909-F965 HydrophobicContact CB-CZ 4.31Å; L910-F965 HydrophobicContact CB-CZ 4.29Å; L910-F965 HydrophobicContact CD1-CE1 4.29Å; L910-F965 HydrophobicContact CD1-CE2 4.39Å; L910-F965 HydrophobicContact CD1-CZ 4.19Å; I913-F965 HydrophobicContact CD1-CD2 3.42Å; I913-F965 VanDerWaalsContact CD1-CD2 3.42Å; I913-F965 HydrophobicContact CD1-CE2 3.74Å; S961-F965 PolarHBondContact O-N 2.99Å; L962-F965 HydrophobicContact CD2-CB 4.07Å; L962-F965 HydrophobicContact CD2-CD1 4.42Å; L962-F965 HydrophobicContact CD2-CG 4.28Å; L962-F965 PolarHBondContact O-N 3.37Å; F965-V967 HydrophobicContact CE1-CG2 4.27Å; F965-I975 HydrophobicContact CD1-CB 4.4Å; F965-I975 HydrophobicContact CD1-CD1 4.19Å; F965-I975 HydrophobicContact CD1-CG1 4.39Å; F965-I975 HydrophobicContact CE1-CD1 3.69Å; F965-I975 HydrophobicContact CE1-CG1 4.34Å
966	R	82.1	Confident	86.3	Confident	100 Å²	100	58 Å²	58	38%	0.377	33%	0.326	S	S	.	.			trans	-130.6	137.1	176.6	-56.2	-64.4	172.1	-104.1	-2.1	109.8	A963 E964 A968 R974	A963-R966 PolarHBondContact O-NH1 3.07Å; A963-R966 PolarHBondContact O-NH2 2.99Å; E964-R966 PolarHBondContact O-N 3.27Å; E964-R966 PolarHBondContact O-NH1 3.38Å; R966-A968 PolarHBondContact O-N 3.12Å; R966-R974 VanDerWaalsContact NE-CZ 3.29Å; R966-R974 VanDerWaalsContact NH2-NH2 3.14Å
967	V	82.1	Confident	86.2	Confident	2 Å²	2	56 Å²	56	1%	0.012	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-75.9	117.4	174.5	-177.3	0	0	0	0	109	L906 F965 H969 M970 P971 I975	L906-V967 HydrophobicContact CD1-CB 4.41Å; L906-V967 HydrophobicContact CD1-CG1 4.04Å; L906-V967 HydrophobicContact CD1-CG2 3.82Å; F965-V967 HydrophobicContact CE1-CG2 4.27Å; V967-H969 VanDerWaalsContact C-N 3.25Å; V967-H969 WeakPolarHBondContact CG1-CE1 3.45Å; V967-H969 PolarHBondContact O-N 2.02Å; V967-H969 VanDerWaalsContact O-N 3.1Å; V967-M970 HydrophobicContact CB-CB 4.36Å; V967-M970 HydrophobicContact CG1-CB 4.22Å; V967-M970 CarbonylContact O-C 3.53Å; V967-M970 PolarHBondContact O-N 2.86Å; V967-P971 WeakPolarHBondContact O-CA 3.35Å; V967-P971 VanDerWaalsContact O-N 3.16Å; V967-I975 HydrophobicContact CG2-CD1 3.87Å; V967-I975 HydrophobicContact CG2-CG1 4.07Å
968	A	80.3	Confident	86.3	Confident	80 Å²	80	57.7 Å²	57.7	66%	0.661	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-39.4	-171.5	0	0	0	0	0	114.4	R966	R966-A968 PolarHBondContact O-N 3.12Å
969	H	81.2	Confident	86.4	Confident	56 Å²	56	57.7 Å²	57.7	26%	0.259	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.5	-179	58.9	-84.1	0	0	0	114	C898 Q902 V967	C898-H969 PolarHBondContact SG-NE2 3.43Å; Q902-H969 HydrophobicContact CG-CB 4.5Å; V967-H969 VanDerWaalsContact C-N 3.25Å; V967-H969 WeakPolarHBondContact CG1-CE1 3.45Å; V967-H969 PolarHBondContact O-N 2.02Å; V967-H969 VanDerWaalsContact O-N 3.1Å
970	M	82.9	Confident	86.6	Confident	31 Å²	31	55.9 Å²	55.9	15%	0.153	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-144.8	67.3	177.7	-74.1	-170.5	-71.5	0	0	110.8	L894 K897 C898 V967 S972 E973	L894-M970 HydrophobicContact CD1-CE 3.69Å; K897-M970 HydrophobicContact CB-CE 4.16Å; K897-M970 HydrophobicContact CB-SD 4.08Å; K897-M970 HydrophobicContact CD-SD 4.33Å; C898-M970 WeakPolarHBondContact SG-CE 3.44Å; V967-M970 HydrophobicContact CB-CB 4.36Å; V967-M970 HydrophobicContact CG1-CB 4.22Å; V967-M970 CarbonylContact O-C 3.53Å; V967-M970 PolarHBondContact O-N 2.86Å; M970-S972 PolarHBondContact O-N 3.32Å; M970-E973 HydrophobicContact CB-CB 4.23Å; M970-E973 HydrophobicContact CB-CG 4.01Å; M970-E973 PolarHBondContact O-N 2.8Å; M970-E973 HydrophobicContact SD-CG 4.18Å
971	P	79.1	Confident	86.9	Confident	84 Å²	84	52.1 Å²	52.1	55%	0.545	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.5	-170.5	23.1	-33.8	0	0	0	114.8	V967 R974	V967-P971 WeakPolarHBondContact O-CA 3.35Å; V967-P971 VanDerWaalsContact O-N 3.16Å; P971-R974 PolarHBondContact O-NH1 2.94Å
972	S	82	Confident	87.2	Confident	106 Å²	106	51.2 Å²	51.2	74%	0.741	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.2	174.7	54.7	0	0	0	0	113.7	M970	M970-S972 PolarHBondContact O-N 3.32Å
973	E	82.9	Confident	87.5	Confident	63 Å²	63	51 Å²	51	29%	0.294	27%	0.273	S	S	.	.			trans	-77.5	137.8	178.7	-67.6	-74.5	-170.8	0	0	109.8	L894 K897 M970	L894-E973 HydrophobicContact CD1-CB 4.37Å; L894-E973 HydrophobicContact CD1-CG 4.47Å; K897-E973 IonicContact NZ-OE1 3.58Å; K897-E973 PolarHBondContact NZ-OE1 2.81Å; M970-E973 HydrophobicContact CB-CB 4.23Å; M970-E973 HydrophobicContact CB-CG 4.01Å; M970-E973 PolarHBondContact O-N 2.8Å; M970-E973 HydrophobicContact SD-CG 4.18Å
974	R	84	Confident	88.1	Confident	144 Å²	144	48.7 Å²	48.7	54%	0.543	26%	0.255	S	S	.	.			trans	-113.1	134.9	179.6	-73.5	-78.7	-170.8	-87.3	-0.5	109.1	R966 P971	R966-R974 VanDerWaalsContact NE-CZ 3.29Å; R966-R974 VanDerWaalsContact NH2-NH2 3.14Å; P971-R974 PolarHBondContact O-NH1 2.94Å
975	I	88.2	Confident	88.7	Confident	15 Å²	15	43.7 Å²	43.7	8%	0.077	24%	0.238	C	C	.	.			trans	-95.8	141.1	175.6	-61.6	-164.8	0	0	0	109.2	V888 L894 L906 L962 F965 V967	V888-I975 HydrophobicContact CG1-CG2 3.58Å; L894-I975 HydrophobicContact CD2-CD1 3.89Å; L894-I975 HydrophobicContact CD2-CG1 4.23Å; L906-I975 HydrophobicContact CD1-CD1 3.72Å; L906-I975 HydrophobicContact CD2-CD1 4.49Å; L962-I975 HydrophobicContact CD2-CG2 4.3Å; F965-I975 HydrophobicContact CD1-CB 4.4Å; F965-I975 HydrophobicContact CD1-CD1 4.19Å; F965-I975 HydrophobicContact CD1-CG1 4.39Å; F965-I975 HydrophobicContact CE1-CD1 3.69Å; F965-I975 HydrophobicContact CE1-CG1 4.34Å; V967-I975 HydrophobicContact CG2-CD1 3.87Å; V967-I975 HydrophobicContact CG2-CG1 4.07Å
976	N	89.5	Confident	89.2	Confident	63 Å²	63	42.9 Å²	42.9	34%	0.337	24%	0.235	S	C	.	.			trans	-137.6	153.8	175.2	-154.5	-13	0	0	0	109.5	V889 G1018	V889-N976 WeakPolarHBondContact CG2-O 3.35Å; V889-N976 PolarHBondContact N-O 3.11Å; N976-G1018 PolarHBondContact ND2-N 2.73Å; N976-G1018 WeakPolarHBondContact OD1-CA 3.34Å; N976-G1018 PolarHBondContact OD1-N 2.8Å; N976-G1018 VanDerWaalsContact OD1-N 3.1Å
977	L	92.9	Very high	89.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.9	-179.8	-73.5	172.6	0	0	0	111.5	D887 V888 F914 F958 L959 L962 I979 G1018	D887-L977 WeakPolarHBondContact O-CA 3.38Å; D887-L977 WeakPolarHBondContact O-CD2 3.38Å; V888-L977 HydrophobicContact CB-CD2 4.47Å; V888-L977 HydrophobicContact CG2-CD2 3.74Å; F914-L977 HydrophobicContact CE1-CD1 4.4Å; F914-L977 HydrophobicContact CE2-CD1 4.17Å; F914-L977 HydrophobicContact CZ-CD1 3.68Å; F914-L977 HydrophobicContact CZ-CG 4.44Å; F958-L977 HydrophobicContact CB-CD1 4.26Å; F958-L977 HydrophobicContact CD2-CD1 4.11Å; L959-L977 HydrophobicContact CD2-CB 4.02Å; L962-L977 HydrophobicContact CD1-CB 4.16Å; L962-L977 HydrophobicContact CD1-CD1 3.5Å; L962-L977 HydrophobicContact CD1-CG 3.45Å; L962-L977 VanDerWaalsContact CD1-CG 3.45Å; L977-I979 HydrophobicContact CB-CG1 4.29Å; L977-G1018 PolarHBondContact O-N 3.42Å
978	R	94.8	Very high	90.3	Very high	65 Å²	65	40.6 Å²	40.6	25%	0.245	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.6	155.9	-68.8	-179.8	-65.9	167.7	1.2	107.9	S886 D887 V889 E1012	S886-R978 WeakPolarHBondContact CA-O 3.4Å; D887-R978 PolarHBondContact N-O 2.94Å; D887-R978 VanDerWaalsContact N-O 3.13Å; D887-R978 PolarHBondContact O-N 2.97Å; D887-R978 IonicContact OD2-CZ 3.27Å; D887-R978 IonicContact OD2-NE 3.08Å; D887-R978 IonicContact OD2-NH2 2.66Å; D887-R978 PolarHBondContact OD2-NH2 3.38Å; V889-R978 HydrophobicContact CG2-CG 3.73Å; R978-E1012 IonicContact CZ-OE1 3.71Å; R978-E1012 IonicContact NE-OE1 3.6Å; R978-E1012 IonicContact NH2-OE1 3.07Å
979	I	97.2	Very high	90.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.5	-179.2	-65.1	169.6	0	0	0	109.4	F884 F885 F958 L959 L977 I981 R1019 I1020 H1021	F884-I979 HydrophobicContact CD2-CG2 3.62Å; F884-I979 HydrophobicContact CE2-CB 4.21Å; F884-I979 HydrophobicContact CE2-CD1 3.93Å; F884-I979 HydrophobicContact CE2-CG1 3.93Å; F884-I979 HydrophobicContact CE2-CG2 3.25Å; F884-I979 HydrophobicContact CZ-CD1 4.14Å; F884-I979 HydrophobicContact CZ-CG1 4.01Å; F884-I979 HydrophobicContact CZ-CG2 4.07Å; F885-I979 CarbonylContact O-C 3.54Å; F885-I979 WeakPolarHBondContact O-CA 3.17Å; F958-I979 HydrophobicContact CB-CD1 4.42Å; L959-I979 HydrophobicContact CD1-CD1 4.37Å; L959-I979 HydrophobicContact CD2-CD1 3.87Å; L959-I979 HydrophobicContact CG-CD1 3.82Å; L977-I979 HydrophobicContact CB-CG1 4.29Å; I979-I981 HydrophobicContact CG2-CG1 4.17Å; I979-R1019 PolarHBondContact N-O 3.44Å; I979-I1020 HydrophobicContact CB-CB 4.48Å; I979-I1020 HydrophobicContact CB-CG1 4.13Å; I979-I1020 HydrophobicContact CB-CG2 4.47Å; I979-I1020 HydrophobicContact CD1-CG1 4.07Å; I979-I1020 HydrophobicContact CG2-CB 4.44Å; I979-I1020 HydrophobicContact CG2-CG1 4.24Å; I979-I1020 HydrophobicContact CG2-CG2 3.93Å; I979-H1021 PolarHBondContact O-N 3.06Å
980	G	97	Very high	91	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.5	173.4	0	0	0	0	0	112	F884 F885 H1021	F884-G980 WeakPolarHBondContact CA-O 3.07Å; F885-G980 PolarHBondContact N-O 2.88Å; F885-G980 PolarHBondContact O-N 3.29Å; G980-H1021 CarbonylContact C-O 3.52Å; G980-H1021 WeakPolarHBondContact CA-O 3.48Å
981	I	98	Very high	91.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.7	178	-55.1	173.3	0	0	0	110	T882 I883 I948 I951 S955 I979 I1020 H1021 V1022 S1023 A1026	T882-I981 HydrophobicContact CG2-CG2 3.4Å; I883-I981 WeakPolarHBondContact O-CA 3.2Å; I948-I981 HydrophobicContact CD1-CG2 4.08Å; I951-I981 HydrophobicContact CG2-CD1 3.95Å; I951-I981 HydrophobicContact CG2-CG1 4.05Å; I951-I981 HydrophobicContact CG2-CG2 4.03Å; S955-I981 WeakPolarHBondContact OG-CD1 3.49Å; I979-I981 HydrophobicContact CG2-CG1 4.17Å; I981-I1020 HydrophobicContact CD1-CG2 3.34Å; I981-I1020 HydrophobicContact CG1-CG2 3.97Å; I981-H1021 PolarHBondContact N-O 3.46Å; I981-V1022 HydrophobicContact CB-CB 4.44Å; I981-V1022 HydrophobicContact CB-CG1 3.98Å; I981-V1022 HydrophobicContact CD1-CG1 4.04Å; I981-V1022 HydrophobicContact CG1-CG1 4.37Å; I981-V1022 WeakPolarHBondContact O-CA 3.03Å; I981-S1023 PolarHBondContact O-N 3.4Å; I981-S1023 VanDerWaalsContact O-N 3.14Å; I981-A1026 HydrophobicContact CG2-CB 4.24Å
982	N	97.3	Very high	91	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.2	170.1	179.3	59.6	0	0	0	111.1	I883 A1004 T1007 A1008 S1023	I883-N982 PolarHBondContact N-O 3.47Å; I883-N982 PolarHBondContact O-N 2.83Å; N982-A1004 PolarHBondContact ND2-O 3.15Å; N982-A1004 VanDerWaalsContact ND2-O 3.1Å; N982-T1007 HydrophobicContact CB-CG2 4.23Å; N982-T1007 WeakPolarHBondContact ND2-CB 3.41Å; N982-A1008 HydrophobicContact CB-CB 3.8Å; N982-S1023 WeakPolarHBondContact OD1-CB 3.35Å; N982-S1023 PolarHBondContact OD1-OG 2.93Å
983	C	96.4	Very high	90.6	Very high	7 Å²	7	39.8 Å²	39.8	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.4	173.8	-60.6	0	0	0	0	111.1	L880 V881 T882 L1029	L880-C983 HydrophobicContact CD1-CB 4.29Å; V881-C983 WeakPolarHBondContact O-CA 3.09Å; T882-C983 PolarHBondContact OG1-SG 3.04Å; C983-L1029 HydrophobicContact CB-CD1 3.67Å; C983-L1029 VanDerWaalsContact SG-CD1 3.54Å
984	G	94.7	Very high	90.2	Very high	16 Å²	16	43.8 Å²	43.8	17%	0.165	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166	-174.2	173.2	0	0	0	0	0	112.9	V881	V881-G984 WeakPolarHBondContact CG2-O 3.21Å; V881-G984 PolarHBondContact N-O 3.5Å; V881-G984 PolarHBondContact O-N 3.11Å; V881-G984 VanDerWaalsContact O-N 3.11Å
985	S	95.8	Very high	90	Very high	61 Å²	61	42.4 Å²	42.4	43%	0.427	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	142.8	179.2	179.6	0	0	0	0	112	F878 E879 A1004	F878-S985 VanDerWaalsContact O-CA 3.25Å; F878-S985 WeakPolarHBondContact O-CA 3.48Å; F878-S985 PolarHBondContact O-OG 3.18Å; E879-S985 VanDerWaalsContact O-CA 3.27Å; E879-S985 WeakPolarHBondContact O-CA 3.42Å; E879-S985 VanDerWaalsContact O-CB 3.28Å; E879-S985 WeakPolarHBondContact O-CB 3.37Å; E879-S985 PolarHBondContact O-N 3.17Å; S985-A1004 WeakPolarHBondContact O-CB 3.44Å
986	V	95.8	Very high	89.7	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.3	175.4	-60.8	0	0	0	0	111.4	F878 V881 I883 L939 L1000 F1001 A1004 V1005	F878-V986 HydrophobicContact CB-CG2 4.05Å; F878-V986 PolarHBondContact N-O 2.87Å; F878-V986 PolarHBondContact O-N 3.22Å; V881-V986 HydrophobicContact CG1-CG2 4.22Å; V881-V986 HydrophobicContact CG2-CB 4.31Å; V881-V986 HydrophobicContact CG2-CG1 3.79Å; V881-V986 HydrophobicContact CG2-CG2 3.54Å; I883-V986 HydrophobicContact CD1-CG1 3.65Å; L939-V986 HydrophobicContact CD2-CG2 3.59Å; V986-L1000 HydrophobicContact CG2-CD2 4.21Å; V986-F1001 CarbonylContact C-O 3.55Å; V986-F1001 WeakPolarHBondContact CA-O 3.25Å; V986-A1004 HydrophobicContact CG1-CB 4.1Å; V986-V1005 HydrophobicContact CG1-CG2 3.87Å
987	V	94.2	Very high	89.4	Confident	53 Å²	53	46.6 Å²	46.6	32%	0.321	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.4	166.3	-180	0	0	0	0	108	P875 E876 T877 F1001	P875-V987 HydrophobicContact CB-CG1 3.98Å; E876-V987 CarbonylContact O-C 3.55Å; E876-V987 WeakPolarHBondContact O-CA 3.39Å; T877-V987 HydrophobicContact CG2-CG2 4.47Å; V987-F1001 PolarHBondContact N-O 3.1Å; V987-F1001 PolarHBondContact O-N 2.96Å
988	A	92.1	Very high	89.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.4	178	0	0	0	0	0	111.3	P875 E876 F878 L939 Y998 C999 L1000	P875-A988 CarbonylContact C-O 3.52Å; P875-A988 VanDerWaalsContact CA-O 3.32Å; P875-A988 WeakPolarHBondContact CA-O 3.3Å; E876-A988 PolarHBondContact N-O 3.2Å; E876-A988 PolarHBondContact O-N 3.34Å; F878-A988 HydrophobicContact CD2-CB 4.09Å; F878-A988 HydrophobicContact CE2-CB 3.86Å; L939-A988 HydrophobicContact CD2-CB 4.27Å; A988-Y998 HydrophobicContact CB-CE1 3.95Å; A988-Y998 HydrophobicContact CB-CE2 4.32Å; A988-Y998 WeakPolarHBondContact CB-OH 3.3Å; A988-C999 VanDerWaalsContact CA-O 3.28Å; A988-C999 WeakPolarHBondContact CA-O 3.35Å; A988-L1000 HydrophobicContact CB-CD2 3.73Å
989	G	88.7	Confident	89	Confident	5 Å²	5	45.2 Å²	45.2	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	165.8	-179.9	0	0	0	0	0	113.6	C999	G989-C999 PolarHBondContact N-O 3.09Å; G989-C999 VanDerWaalsContact N-O 3.13Å; G989-C999 PolarHBondContact O-N 3.2Å
990	V	87	Confident	88.7	Confident	36 Å²	36	46 Å²	46	22%	0.218	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127	177.6	179.6	0	0	0	0	110.9	V863 I873 P996 R997 Y998	V863-V990 HydrophobicContact CG1-CG2 3.35Å; I873-V990 HydrophobicContact CB-CG2 4.22Å; I873-V990 HydrophobicContact CD1-CG2 3.98Å; I873-V990 HydrophobicContact CG2-CG2 4.14Å; V990-P996 HydrophobicContact CG1-CB 3.44Å; V990-P996 VanDerWaalsContact CG1-CB 3.44Å; V990-R997 CarbonylContact C-O 3.56Å; V990-R997 VanDerWaalsContact CA-O 3.28Å; V990-R997 WeakPolarHBondContact CA-O 3.48Å; V990-Y998 HydrophobicContact CG2-CD2 4Å
991	V	85.2	Confident	88.5	Confident	75 Å²	75	51.3 Å²	51.3	46%	0.455	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.7	177.5	-174.9	0	0	0	0	110.2	P996 R997 C999 F1001	V991-P996 WeakPolarHBondContact O-CA 3.45Å; V991-R997 PolarHBondContact N-O 2.97Å; V991-R997 PolarHBondContact O-N 3.44Å; V991-C999 HydrophobicContact CG2-CB 4.17Å; V991-F1001 HydrophobicContact CG2-CE2 4.31Å; V991-F1001 HydrophobicContact CG2-CZ 4.13Å
992	G	78.3	Confident	88.2	Confident	45 Å²	45	52.9 Å²	52.9	46%	0.464	31%	0.307	S	S	.	.			trans	94.1	137.2	179.2	0	0	0	0	0	113.5	P996	G992-P996 WeakPolarHBondContact O-CA 3.48Å
993	L	73.6	Confident	88	Confident	178 Å²	178	56.8 Å²	56.8	93%	0.932	33%	0.328	S	S	*	.	S	Bend	trans	-90.6	-40	176.5	-65.5	174.5	0	0	0	112.1
994	T	73.8	Confident	87.9	Confident	147 Å²	147	56.8 Å²	56.8	90%	0.902	33%	0.329	S	S	*	.	S	Bend	trans	-79.1	-35.6	-178.1	-43.4	0	0	0	0	112.5
995	M	80.7	Confident	87.9	Confident	116 Å²	116	56.8 Å²	56.8	57%	0.571	33%	0.325	S	S	*	.	S	Bend	trans	-138.6	75.4	179.7	-163.1	175.8	101.6	0	0	109.5	R997	M995-R997 VanDerWaalsContact CE-NE 3.3Å; M995-R997 PolarHBondContact O-N 3Å
996	P	80.7	Confident	87.8	Confident	39 Å²	39	58.1 Å²	58.1	25%	0.253	33%	0.328	S	S	.	.			trans	-62.2	131.7	-174.4	24.2	-33.5	0	0	0	111.6	L859 L867 V990 V991 G992	L859-P996 HydrophobicContact CD1-CB 4.17Å; L859-P996 HydrophobicContact CD1-CG 3.96Å; L859-P996 WeakPolarHBondContact CD2-O 3.5Å; L867-P996 HydrophobicContact CD1-CB 4.42Å; L867-P996 HydrophobicContact CD1-CG 4.45Å; V990-P996 HydrophobicContact CG1-CB 3.44Å; V990-P996 VanDerWaalsContact CG1-CB 3.44Å; V991-P996 WeakPolarHBondContact O-CA 3.45Å; G992-P996 WeakPolarHBondContact O-CA 3.48Å
997	R	84.3	Confident	87.8	Confident	126 Å²	126	58.1 Å²	58.1	48%	0.475	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.9	173.9	-58.8	-172.9	-166.4	-173.2	3.8	111	E927 V990 V991 M995 C999	E927-R997 IonicContact OE2-NH1 2.68Å; V990-R997 CarbonylContact C-O 3.56Å; V990-R997 VanDerWaalsContact CA-O 3.28Å; V990-R997 WeakPolarHBondContact CA-O 3.48Å; V991-R997 PolarHBondContact N-O 2.97Å; V991-R997 PolarHBondContact O-N 3.44Å; M995-R997 VanDerWaalsContact CE-NE 3.3Å; M995-R997 PolarHBondContact O-N 3Å; R997-C999 PolarHBondContact O-N 2.97Å
998	Y	88.6	Confident	87.8	Confident	13 Å²	13	55.6 Å²	55.6	5%	0.051	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	94.6	176	-166.8	-111.2	0	0	0	110.2	P860 V863 Y924 L939 P940 A988 V990	P860-Y998 HydrophobicContact CG-CD1 3.94Å; P860-Y998 HydrophobicContact CG-CE1 4.42Å; P860-Y998 HydrophobicContact CG-CG 4.08Å; V863-Y998 HydrophobicContact CG1-CD2 4.48Å; V863-Y998 HydrophobicContact CG2-CD2 3.99Å; V863-Y998 HydrophobicContact CG2-CE2 3.94Å; Y924-Y998 HydrophobicContact CD1-CD1 4.3Å; Y924-Y998 AromaticContact CE1-CD1 3.68Å; Y924-Y998 HydrophobicContact CE1-CD1 3.68Å; Y924-Y998 HydrophobicContact CE1-CG 4.5Å; L939-Y998 HydrophobicContact CD1-CE1 3.96Å; P940-Y998 HydrophobicContact CB-CE1 4.22Å; A988-Y998 HydrophobicContact CB-CE1 3.95Å; A988-Y998 HydrophobicContact CB-CE2 4.32Å; A988-Y998 WeakPolarHBondContact CB-OH 3.3Å; V990-Y998 HydrophobicContact CG2-CD2 4Å
999	C	89.6	Confident	87.9	Confident	23 Å²	23	57.6 Å²	57.6	16%	0.155	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	156.4	-170.4	-63.8	0	0	0	0	112.6	A988 G989 V991 R997 F1001	A988-C999 VanDerWaalsContact CA-O 3.28Å; A988-C999 WeakPolarHBondContact CA-O 3.35Å; G989-C999 PolarHBondContact N-O 3.09Å; G989-C999 VanDerWaalsContact N-O 3.13Å; G989-C999 PolarHBondContact O-N 3.2Å; V991-C999 HydrophobicContact CG2-CB 4.17Å; R997-C999 PolarHBondContact O-N 2.97Å; C999-F1001 HydrophobicContact CB-CE2 3.71Å; C999-F1001 HydrophobicContact CB-CZ 3.72Å
1000	L	91.8	Very high	88.2	Confident	18 Å²	18	60.1 Å²	60.1	9%	0.094	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.2	176.7	-62.7	176.4	0	0	0	111.9	V926 V936 L939 V986 A988 V1005	V926-L1000 HydrophobicContact CB-CD1 4.47Å; V926-L1000 HydrophobicContact CG1-CD1 4.25Å; V926-L1000 HydrophobicContact CG1-CG 4.15Å; V926-L1000 HydrophobicContact CG2-CD1 3.49Å; V926-L1000 VanDerWaalsContact CG2-CD1 3.49Å; V926-L1000 HydrophobicContact CG2-CG 4.11Å; V936-L1000 HydrophobicContact CB-CD1 3.93Å; V936-L1000 HydrophobicContact CG1-CD1 3.91Å; V936-L1000 HydrophobicContact CG2-CD1 4.18Å; L939-L1000 HydrophobicContact CD1-CD2 4.04Å; L939-L1000 HydrophobicContact CD2-CD2 3.3Å; L939-L1000 HydrophobicContact CG-CD2 4.3Å; V986-L1000 HydrophobicContact CG2-CD2 4.21Å; A988-L1000 HydrophobicContact CB-CD2 3.73Å; L1000-V1005 HydrophobicContact CB-CG2 4.09Å
1001	F	91.9	Very high	88.6	Confident	111 Å²	111	58.4 Å²	58.4	49%	0.487	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.5	178.4	-54.8	-82.4	0	0	0	110.5	V986 V987 V991 C999	V986-F1001 CarbonylContact C-O 3.55Å; V986-F1001 WeakPolarHBondContact CA-O 3.25Å; V987-F1001 PolarHBondContact N-O 3.1Å; V987-F1001 PolarHBondContact O-N 2.96Å; V991-F1001 HydrophobicContact CG2-CE2 4.31Å; V991-F1001 HydrophobicContact CG2-CZ 4.13Å; C999-F1001 HydrophobicContact CB-CE2 3.71Å; C999-F1001 HydrophobicContact CB-CZ 3.72Å
1002	G	91.7	Very high	89.1	Confident	32 Å²	32	55.7 Å²	55.7	33%	0.33	31%	0.306	S	S	.	.	S	Bend	trans	151.3	162.6	174.1	0	0	0	0	0	113.5	A1004 V1005 N1006	G1002-A1004 PolarHBondContact O-N 2.87Å; G1002-V1005 WeakPolarHBondContact O-CB 3.28Å; G1002-V1005 PolarHBondContact O-N 3.38Å; G1002-N1006 PolarHBondContact O-N 2.82Å
1003	D	93	Very high	89.8	Confident	88 Å²	88	56.3 Å²	56.3	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-27.8	176.6	175.9	66.7	0	0	0	112.5	V1005 N1006 T1007 K1050	D1003-V1005 VanDerWaalsContact C-N 3.3Å; D1003-V1005 PolarHBondContact O-N 3.4Å; D1003-N1006 PolarHBondContact O-N 3.33Å; D1003-T1007 WeakPolarHBondContact O-CB 3.46Å; D1003-T1007 PolarHBondContact O-N 3.07Å; D1003-T1007 PolarHBondContact O-OG1 3.36Å; D1003-K1050 IonicContact OD1-NZ 3.73Å; D1003-K1050 WeakPolarHBondContact OD2-CE 3.33Å; D1003-K1050 IonicContact OD2-NZ 3.8Å; D1003-K1050 PolarHBondContact OD2-NZ 3.2Å
1004	A	94.4	Very high	90.8	Very high	7 Å²	7	50.5 Å²	50.5	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-38	173.7	0	0	0	0	0	112.5	I883 N982 S985 V986 G1002 T1007 A1008	I883-A1004 HydrophobicContact CD1-CB 3.75Å; N982-A1004 PolarHBondContact ND2-O 3.15Å; N982-A1004 VanDerWaalsContact ND2-O 3.1Å; S985-A1004 WeakPolarHBondContact O-CB 3.44Å; V986-A1004 HydrophobicContact CG1-CB 4.1Å; G1002-A1004 PolarHBondContact O-N 2.87Å; A1004-T1007 PolarHBondContact O-N 3.16Å; A1004-A1008 PolarHBondContact O-N 2.85Å
1005	V	94.4	Very high	91.6	Very high	16 Å²	16	44 Å²	44	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-48.9	176.6	-175.7	0	0	0	0	110.1	I883 F885 V986 L1000 G1002 D1003 T1007 A1008 S1009	I883-V1005 HydrophobicContact CD1-CB 4.32Å; I883-V1005 HydrophobicContact CD1-CG2 3.83Å; F885-V1005 HydrophobicContact CE2-CG1 3.86Å; F885-V1005 WeakPolarHBondContact CE2-O 3.43Å; F885-V1005 HydrophobicContact CZ-CG1 3.78Å; V986-V1005 HydrophobicContact CG1-CG2 3.87Å; L1000-V1005 HydrophobicContact CB-CG2 4.09Å; G1002-V1005 WeakPolarHBondContact O-CB 3.28Å; G1002-V1005 PolarHBondContact O-N 3.38Å; D1003-V1005 VanDerWaalsContact C-N 3.3Å; D1003-V1005 PolarHBondContact O-N 3.4Å; V1005-T1007 VanDerWaalsContact C-N 3.27Å; V1005-T1007 PolarHBondContact O-N 3.13Å; V1005-A1008 PolarHBondContact O-N 2.88Å; V1005-S1009 PolarHBondContact O-N 2.65Å
1006	N	93.9	Very high	92.2	Very high	89 Å²	89	44.2 Å²	44.2	48%	0.476	23%	0.233	S	C	.	.	H	α-helix	trans	-61.1	-36.9	177.7	-70.6	-42.7	0	0	0	112.1	G1002 D1003 R1010	G1002-N1006 PolarHBondContact O-N 2.82Å; D1003-N1006 PolarHBondContact O-N 3.33Å; N1006-R1010 VanDerWaalsContact O-CG 3.24Å; N1006-R1010 WeakPolarHBondContact O-CG 3.41Å; N1006-R1010 PolarHBondContact O-N 2.8Å; N1006-R1010 VanDerWaalsContact O-N 3.14Å
1007	T	94.7	Very high	92.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-69.8	-41.4	177.6	-54.4	0	0	0	0	111.2	N982 D1003 A1004 V1005 R1010 M1011 K1050 M1053	N982-T1007 HydrophobicContact CB-CG2 4.23Å; N982-T1007 WeakPolarHBondContact ND2-CB 3.41Å; D1003-T1007 WeakPolarHBondContact O-CB 3.46Å; D1003-T1007 PolarHBondContact O-N 3.07Å; D1003-T1007 PolarHBondContact O-OG1 3.36Å; A1004-T1007 PolarHBondContact O-N 3.16Å; V1005-T1007 VanDerWaalsContact C-N 3.27Å; V1005-T1007 PolarHBondContact O-N 3.13Å; T1007-R1010 WeakPolarHBondContact O-CB 3.47Å; T1007-R1010 PolarHBondContact O-N 3.33Å; T1007-R1010 VanDerWaalsContact O-N 3.14Å; T1007-M1011 WeakPolarHBondContact O-CG 3.46Å; T1007-M1011 PolarHBondContact O-N 3Å; T1007-K1050 WeakPolarHBondContact OG1-CE 3.3Å; T1007-M1053 HydrophobicContact CG2-CE 4.34Å
1008	A	95.5	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-46.3	175.5	0	0	0	0	0	112.1	I883 F885 N982 A1004 V1005 R1010 M1011 E1012	I883-A1008 HydrophobicContact CB-CB 3.83Å; I883-A1008 HydrophobicContact CG2-CB 3.7Å; F885-A1008 HydrophobicContact CD2-CB 3.55Å; F885-A1008 HydrophobicContact CE2-CB 3.89Å; N982-A1008 HydrophobicContact CB-CB 3.8Å; A1004-A1008 PolarHBondContact O-N 2.85Å; V1005-A1008 PolarHBondContact O-N 2.88Å; A1008-R1010 PolarHBondContact O-N 3.4Å; A1008-M1011 WeakPolarHBondContact O-CB 3.41Å; A1008-M1011 PolarHBondContact O-N 3.06Å; A1008-M1011 VanDerWaalsContact O-N 3.1Å; A1008-E1012 PolarHBondContact O-N 3.16Å; A1008-E1012 VanDerWaalsContact O-N 3.12Å
1009	S	94.5	Very high	93.5	Very high	43 Å²	43	46.3 Å²	46.3	30%	0.301	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-34.8	174.2	171.6	0	0	0	0	112.4	V1005 E1012 S1013	V1005-S1009 PolarHBondContact O-N 2.65Å; S1009-E1012 PolarHBondContact O-N 2.88Å; S1009-S1013 PolarHBondContact O-N 2.8Å; S1009-S1013 PolarHBondContact O-OG 3.36Å
1010	R	94.5	Very high	93.8	Very high	59 Å²	59	45.3 Å²	45.3	22%	0.223	24%	0.244	C	C	.	.	H	α-helix	trans	-71.8	-32.5	175.1	-71.2	170.3	-170.1	169.6	-0.5	113.3	N1006 T1007 A1008 E1012 S1013 N1014 I1047 K1048	N1006-R1010 VanDerWaalsContact O-CG 3.24Å; N1006-R1010 WeakPolarHBondContact O-CG 3.41Å; N1006-R1010 PolarHBondContact O-N 2.8Å; N1006-R1010 VanDerWaalsContact O-N 3.14Å; T1007-R1010 WeakPolarHBondContact O-CB 3.47Å; T1007-R1010 PolarHBondContact O-N 3.33Å; T1007-R1010 VanDerWaalsContact O-N 3.14Å; A1008-R1010 PolarHBondContact O-N 3.4Å; R1010-E1012 VanDerWaalsContact C-N 3.33Å; R1010-S1013 WeakPolarHBondContact CA-OG 3.35Å; R1010-S1013 PolarHBondContact O-OG 3.37Å; R1010-N1014 WeakPolarHBondContact O-CB 3.49Å; R1010-N1014 PolarHBondContact O-N 2.78Å; R1010-N1014 VanDerWaalsContact O-N 3.09Å; R1010-N1014 PolarHBondContact O-ND2 3.27Å; R1010-I1047 HydrophobicContact CB-CG2 3.72Å; R1010-I1047 VanDerWaalsContact CD-CG2 3.5Å; R1010-I1047 HydrophobicContact CG-CG2 4.13Å; R1010-K1048 VanDerWaalsContact CD-O 3.31Å; R1010-K1048 WeakPolarHBondContact CD-O 3.41Å; R1010-K1048 PolarHBondContact NE-O 3.32Å; R1010-K1048 PolarHBondContact NH1-O 2.91Å; R1010-K1048 PolarHBondContact NH2-O 2.97Å
1011	M	96.2	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-40.1	171.7	-63	-59.4	94.2	0	0	110.7	T1007 A1008 G1015 H1021 I1047 T1055	T1007-M1011 WeakPolarHBondContact O-CG 3.46Å; T1007-M1011 PolarHBondContact O-N 3Å; A1008-M1011 WeakPolarHBondContact O-CB 3.41Å; A1008-M1011 PolarHBondContact O-N 3.06Å; A1008-M1011 VanDerWaalsContact O-N 3.1Å; M1011-G1015 PolarHBondContact O-N 2.98Å; M1011-H1021 HydrophobicContact CB-CB 4.43Å; M1011-H1021 WeakPolarHBondContact O-CB 3.23Å; M1011-H1021 PolarHBondContact O-ND1 3.04Å; M1011-I1047 HydrophobicContact CE-CD1 3.57Å; M1011-I1047 HydrophobicContact CE-CG1 3.76Å; M1011-I1047 HydrophobicContact CE-CG2 4.37Å; M1011-T1055 HydrophobicContact CE-CG2 4.31Å; M1011-T1055 HydrophobicContact SD-CG2 3.93Å
1012	E	95.3	Very high	94.3	Very high	18 Å²	18	39.2 Å²	39.2	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-56.2	176.6	175.4	-74.4	120.9	0	0	110.5	F885 D887 R978 A1008 S1009 R1010 N1014 G1015	F885-E1012 HydrophobicContact CB-CB 3.65Å; F885-E1012 HydrophobicContact CB-CG 4.08Å; D887-E1012 HydrophobicContact CB-CG 4.23Å; D887-E1012 VanDerWaalsContact CB-OE1 3.24Å; D887-E1012 WeakPolarHBondContact CB-OE1 3.28Å; R978-E1012 IonicContact CZ-OE1 3.71Å; R978-E1012 IonicContact NE-OE1 3.6Å; R978-E1012 IonicContact NH2-OE1 3.07Å; A1008-E1012 PolarHBondContact O-N 3.16Å; A1008-E1012 VanDerWaalsContact O-N 3.12Å; S1009-E1012 PolarHBondContact O-N 2.88Å; R1010-E1012 VanDerWaalsContact C-N 3.33Å; E1012-N1014 VanDerWaalsContact C-N 3.25Å; E1012-N1014 PolarHBondContact O-N 2.87Å; E1012-G1015 WeakPolarHBondContact O-CA 3.26Å; E1012-G1015 PolarHBondContact O-N 3.4Å
1013	S	92.6	Very high	94.6	Very high	57 Å²	57	37.7 Å²	37.7	40%	0.399	20%	0.201	S	C	.	.	H	α-helix	trans	-65.2	-26.5	-173.9	51.4	0	0	0	0	114	S1009 R1010	S1009-S1013 PolarHBondContact O-N 2.8Å; S1009-S1013 PolarHBondContact O-OG 3.36Å; R1010-S1013 WeakPolarHBondContact CA-OG 3.35Å; R1010-S1013 PolarHBondContact O-OG 3.37Å
1014	N	94	Very high	94.7	Very high	56 Å²	56	35.2 Å²	35.2	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	1	172.2	-68.5	-88.9	0	0	0	113.1	R1010 E1012 R1042 I1047	R1010-N1014 WeakPolarHBondContact O-CB 3.49Å; R1010-N1014 PolarHBondContact O-N 2.78Å; R1010-N1014 VanDerWaalsContact O-N 3.09Å; R1010-N1014 PolarHBondContact O-ND2 3.27Å; E1012-N1014 VanDerWaalsContact C-N 3.25Å; E1012-N1014 PolarHBondContact O-N 2.87Å; N1014-R1042 VanDerWaalsContact O-CZ 3.22Å; N1014-R1042 PolarHBondContact O-NH1 2.93Å; N1014-R1042 PolarHBondContact O-NH2 2.99Å; N1014-I1047 HydrophobicContact CB-CD1 3.99Å
1015	G	92	Very high	94.6	Very high	11 Å²	11	39.6 Å²	39.6	11%	0.113	21%	0.21	C	C	.	.	S	Bend	trans	-70.7	174.2	177.4	0	0	0	0	0	113.6	M1011 E1012	M1011-G1015 PolarHBondContact O-N 2.98Å; E1012-G1015 WeakPolarHBondContact O-CA 3.26Å; E1012-G1015 PolarHBondContact O-N 3.4Å
1016	K	93.1	Very high	94.7	Very high	120 Å²	120	38.9 Å²	38.9	52%	0.522	21%	0.205	S	C	.	.			trans	-110.9	146.9	174.9	-73	-175.9	178	-179.5	0	109.8	G1018 R1019 W1057	K1016-G1018 PolarHBondContact O-N 3.5Å; K1016-R1019 HydrophobicContact CB-CB 4.25Å; K1016-R1019 HydrophobicContact CB-CG 4.11Å; K1016-R1019 WeakPolarHBondContact O-CB 3.27Å; K1016-R1019 PolarHBondContact O-N 2.95Å; K1016-W1057 HydrophobicContact CB-CH2 3.88Å; K1016-W1057 HydrophobicContact CB-CZ2 4.42Å; K1016-W1057 HydrophobicContact CD-CH2 4.3Å; K1016-W1057 HydrophobicContact CD-CZ2 4.01Å; K1016-W1057 HydrophobicContact CG-CH2 3.86Å; K1016-W1057 HydrophobicContact CG-CZ2 4.06Å
1017	P	93	Very high	94.8	Very high	70 Å²	70	35.1 Å²	35.1	46%	0.455	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	131.5	173	-30.8	37.9	0	0	0	112.6	V889 R1019	V889-P1017 HydrophobicContact CG1-CB 4.33Å; V889-P1017 HydrophobicContact CG1-CG 3.98Å; V889-P1017 HydrophobicContact CG2-CB 3.85Å; V889-P1017 HydrophobicContact CG2-CG 3.92Å; P1017-R1019 VanDerWaalsContact C-N 3.31Å; P1017-R1019 PolarHBondContact O-N 3.12Å
1018	G	92.4	Very high	94.8	Very high	18 Å²	18	39.9 Å²	39.9	19%	0.186	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	23.7	179	0	0	0	0	0	114.5	N976 L977 K1016	N976-G1018 PolarHBondContact ND2-N 2.73Å; N976-G1018 WeakPolarHBondContact OD1-CA 3.34Å; N976-G1018 PolarHBondContact OD1-N 2.8Å; N976-G1018 VanDerWaalsContact OD1-N 3.1Å; L977-G1018 PolarHBondContact O-N 3.42Å; K1016-G1018 PolarHBondContact O-N 3.5Å
1019	R	94.2	Very high	94.7	Very high	135 Å²	135	40.5 Å²	40.5	51%	0.509	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.5	179.5	-63.6	-73.1	-168.4	-101.6	4.7	110.7	I979 K1016 P1017 W1057	I979-R1019 PolarHBondContact N-O 3.44Å; K1016-R1019 HydrophobicContact CB-CB 4.25Å; K1016-R1019 HydrophobicContact CB-CG 4.11Å; K1016-R1019 WeakPolarHBondContact O-CB 3.27Å; K1016-R1019 PolarHBondContact O-N 2.95Å; P1017-R1019 VanDerWaalsContact C-N 3.31Å; P1017-R1019 PolarHBondContact O-N 3.12Å; R1019-W1057 HydrophobicContact CB-CD2 4.46Å; R1019-W1057 HydrophobicContact CB-CE3 3.64Å; R1019-W1057 HydrophobicContact CB-CH2 4.25Å; R1019-W1057 HydrophobicContact CB-CZ3 3.51Å; R1019-W1057 HydrophobicContact CG-CE3 4.42Å; R1019-W1057 HydrophobicContact CG-CZ3 4.4Å
1020	I	97.3	Very high	94.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	105.7	177.8	-59.6	162.9	0	0	0	108.3	L956 L959 I979 I981 V1022 W1057 L1058	L956-I1020 HydrophobicContact CD2-CD1 3.81Å; L956-I1020 HydrophobicContact CG-CD1 4.14Å; L959-I1020 HydrophobicContact CD1-CD1 3.93Å; L959-I1020 HydrophobicContact CD1-CG1 3.7Å; I979-I1020 HydrophobicContact CB-CB 4.48Å; I979-I1020 HydrophobicContact CB-CG1 4.13Å; I979-I1020 HydrophobicContact CB-CG2 4.47Å; I979-I1020 HydrophobicContact CD1-CG1 4.07Å; I979-I1020 HydrophobicContact CG2-CB 4.44Å; I979-I1020 HydrophobicContact CG2-CG1 4.24Å; I979-I1020 HydrophobicContact CG2-CG2 3.93Å; I981-I1020 HydrophobicContact CD1-CG2 3.34Å; I981-I1020 HydrophobicContact CG1-CG2 3.97Å; I1020-V1022 HydrophobicContact CG2-CG1 3.93Å; I1020-W1057 WeakPolarHBondContact O-CA 3.48Å; I1020-L1058 HydrophobicContact CB-CB 4.03Å; I1020-L1058 HydrophobicContact CD1-CD2 4.13Å; I1020-L1058 HydrophobicContact CD1-CG 4.44Å; I1020-L1058 HydrophobicContact CG2-CB 3.9Å; I1020-L1058 HydrophobicContact CG2-CD2 4.14Å; I1020-L1058 PolarHBondContact O-N 2.86Å
1021	H	97.5	Very high	94.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.5	-179.7	-165.6	-168.3	0	0	0	110	I979 G980 I981 M1011 R1042 T1055 W1057	I979-H1021 PolarHBondContact O-N 3.06Å; G980-H1021 CarbonylContact C-O 3.52Å; G980-H1021 WeakPolarHBondContact CA-O 3.48Å; I981-H1021 PolarHBondContact N-O 3.46Å; M1011-H1021 HydrophobicContact CB-CB 4.43Å; M1011-H1021 WeakPolarHBondContact O-CB 3.23Å; M1011-H1021 PolarHBondContact O-ND1 3.04Å; H1021-R1042 PolarHBondContact CE1-NH1 2.86Å; H1021-R1042 PolarHBondContact ND1-NH1 2.65Å; H1021-R1042 WeakPolarHBondContact NE2-CD 3.29Å; H1021-R1042 PolarHBondContact NE2-NH1 3.12Å; H1021-T1055 WeakPolarHBondContact NE2-CB 3.4Å; H1021-T1055 PolarHBondContact NE2-OG1 3.22Å; H1021-W1057 HydrophobicContact CB-CE3 4.14Å; H1021-W1057 HydrophobicContact CB-CH2 4.28Å; H1021-W1057 HydrophobicContact CB-CZ3 3.58Å; H1021-W1057 AromaticContact CG-CZ3 3.97Å
1022	V	97.1	Very high	94.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.7	-176.3	-46.7	0	0	0	0	111.5	I981 I1020 A1026 N1027 Y1056 L1058	I981-V1022 HydrophobicContact CB-CB 4.44Å; I981-V1022 HydrophobicContact CB-CG1 3.98Å; I981-V1022 HydrophobicContact CD1-CG1 4.04Å; I981-V1022 HydrophobicContact CG1-CG1 4.37Å; I981-V1022 WeakPolarHBondContact O-CA 3.03Å; I1020-V1022 HydrophobicContact CG2-CG1 3.93Å; V1022-A1026 HydrophobicContact CB-CB 4.28Å; V1022-N1027 HydrophobicContact CG2-CB 4.16Å; V1022-Y1056 WeakPolarHBondContact CG2-O 2.87Å; V1022-Y1056 PolarHBondContact N-O 3.42Å; V1022-Y1056 PolarHBondContact O-N 3.28Å; V1022-L1058 HydrophobicContact CG1-CB 3.98Å
1023	S	96.4	Very high	94	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	167.2	174.2	67.4	0	0	0	0	112.8	I981 N982 E1025 A1026 N1027	I981-S1023 PolarHBondContact O-N 3.4Å; I981-S1023 VanDerWaalsContact O-N 3.14Å; N982-S1023 WeakPolarHBondContact OD1-CB 3.35Å; N982-S1023 PolarHBondContact OD1-OG 2.93Å; S1023-E1025 VanDerWaalsContact C-N 3.3Å; S1023-E1025 PolarHBondContact O-N 2.94Å; S1023-A1026 PolarHBondContact O-N 3.03Å; S1023-A1026 WeakPolarHBondContact OG-CB 2.73Å; S1023-A1026 PolarHBondContact OG-N 3.18Å; S1023-N1027 WeakPolarHBondContact O-CB 3.49Å; S1023-N1027 PolarHBondContact O-N 3.34Å
1024	S	95	Very high	93.9	Very high	37 Å²	37	46.3 Å²	46.3	26%	0.259	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-41.6	175.3	-73.7	0	0	0	0	112.4	N1027 H1028 N1054	S1024-N1027 PolarHBondContact O-N 3.27Å; S1024-H1028 WeakPolarHBondContact O-CB 3.04Å; S1024-H1028 PolarHBondContact O-N 2.6Å; S1024-N1054 PolarHBondContact OG-O 2.79Å
1025	E	93.9	Very high	93.5	Very high	99 Å²	99	44.8 Å²	44.8	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-66.3	-44.6	-179.9	-64.6	73.3	-163.4	0	0	111.3	S1023 H1028 L1029	S1023-E1025 VanDerWaalsContact C-N 3.3Å; S1023-E1025 PolarHBondContact O-N 2.94Å; E1025-H1028 PolarHBondContact O-N 3.06Å; E1025-L1029 PolarHBondContact O-N 3.14Å; E1025-L1029 VanDerWaalsContact O-N 3.13Å
1026	A	95.9	Very high	93.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-41.4	175.3	0	0	0	0	0	111.7	I948 I981 V1022 S1023 L1029 L1030	I948-A1026 HydrophobicContact CD1-CB 4.09Å; I981-A1026 HydrophobicContact CG2-CB 4.24Å; V1022-A1026 HydrophobicContact CB-CB 4.28Å; S1023-A1026 PolarHBondContact O-N 3.03Å; S1023-A1026 WeakPolarHBondContact OG-CB 2.73Å; S1023-A1026 PolarHBondContact OG-N 3.18Å; A1026-L1029 PolarHBondContact O-N 3.3Å; A1026-L1030 WeakPolarHBondContact O-CG 3.39Å; A1026-L1030 PolarHBondContact O-N 3.21Å
1027	N	95.9	Very high	93.3	Very high	11 Å²	11	41 Å²	41	6%	0.059	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-44.1	176	-178.8	58.8	0	0	0	112.1	V1022 S1023 S1024 L1029 L1030 T1031 T1039 Y1056	V1022-N1027 HydrophobicContact CG2-CB 4.16Å; S1023-N1027 WeakPolarHBondContact O-CB 3.49Å; S1023-N1027 PolarHBondContact O-N 3.34Å; S1024-N1027 PolarHBondContact O-N 3.27Å; N1027-L1029 VanDerWaalsContact C-N 3.33Å; N1027-L1029 PolarHBondContact O-N 3.19Å; N1027-L1030 PolarHBondContact O-N 3.04Å; N1027-T1031 WeakPolarHBondContact O-CB 2.72Å; N1027-T1031 PolarHBondContact O-N 3.1Å; N1027-T1031 PolarHBondContact O-OG1 3Å; N1027-T1039 WeakPolarHBondContact OD1-CB 3.32Å; N1027-T1039 VanDerWaalsContact OD1-CG2 3.3Å; N1027-T1039 WeakPolarHBondContact OD1-CG2 3.49Å; N1027-T1039 PolarHBondContact OD1-OG1 2.86Å; N1027-Y1056 HydrophobicContact CB-CD1 4.5Å; N1027-Y1056 HydrophobicContact CB-CD2 3.37Å; N1027-Y1056 HydrophobicContact CB-CE2 3.88Å; N1027-Y1056 HydrophobicContact CB-CG 3.76Å; N1027-Y1056 VanDerWaalsContact CG-CD2 3.47Å; N1027-Y1056 VanDerWaalsContact CG-CG 3.41Å; N1027-Y1056 WeakPolarHBondContact ND2-CD1 3.48Å; N1027-Y1056 WeakPolarHBondContact ND2-CD2 3.29Å; N1027-Y1056 WeakPolarHBondContact ND2-CE1 3.08Å; N1027-Y1056 WeakPolarHBondContact ND2-CE2 3.43Å; N1027-Y1056 VanDerWaalsContact ND2-CZ 3.33Å
1028	H	94.8	Very high	93.3	Very high	102 Å²	102	42.4 Å²	42.4	47%	0.472	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-44.2	177	-177.6	67.1	0	0	0	111.5	S1024 E1025 T1031 H1032 V1033	S1024-H1028 WeakPolarHBondContact O-CB 3.04Å; S1024-H1028 PolarHBondContact O-N 2.6Å; E1025-H1028 PolarHBondContact O-N 3.06Å; H1028-T1031 PolarHBondContact O-N 2.7Å; H1028-H1032 AromaticContact CE1-CG 3.96Å; H1028-H1032 AromaticContact ND1-CG 3.68Å; H1028-H1032 AromaticContact ND1-ND1 3.71Å; H1028-H1032 WeakPolarHBondContact O-CB 3.48Å; H1028-H1032 PolarHBondContact O-N 3.43Å; H1028-V1033 PolarHBondContact O-N 3.39Å
1029	L	94.2	Very high	93.4	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.063	23%	0.227	C	C	.	.	I	π-helix	trans	-62.8	-42.3	175.4	-76.4	166.7	0	0	0	112.7	L880 I948 C983 E1025 A1026 N1027 V1033 V1034	L880-L1029 HydrophobicContact CD1-CD1 4.5Å; L880-L1029 HydrophobicContact CD2-CD1 4.35Å; L880-L1029 HydrophobicContact CD2-CD2 4.46Å; I948-L1029 HydrophobicContact CB-CB 4.27Å; I948-L1029 HydrophobicContact CG1-CB 4.05Å; I948-L1029 HydrophobicContact CG2-CB 4.11Å; C983-L1029 HydrophobicContact CB-CD1 3.67Å; C983-L1029 VanDerWaalsContact SG-CD1 3.54Å; E1025-L1029 PolarHBondContact O-N 3.14Å; E1025-L1029 VanDerWaalsContact O-N 3.13Å; A1026-L1029 PolarHBondContact O-N 3.3Å; N1027-L1029 VanDerWaalsContact C-N 3.33Å; N1027-L1029 PolarHBondContact O-N 3.19Å; L1029-V1033 HydrophobicContact CD2-CB 4.01Å; L1029-V1033 HydrophobicContact CD2-CG1 4.11Å; L1029-V1033 HydrophobicContact CD2-CG2 3.96Å; L1029-V1034 PolarHBondContact O-N 3.25Å
1030	L	93.9	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-65.3	-41	178.4	-77.9	168.3	0	0	0	113.5	I948 A952 A1026 N1027 G1035 F1037 T1039 L1058	I948-L1030 HydrophobicContact CD1-CD1 4.27Å; I948-L1030 HydrophobicContact CD1-CD2 4.22Å; I948-L1030 HydrophobicContact CD1-CG 3.95Å; I948-L1030 HydrophobicContact CG1-CD1 4.37Å; I948-L1030 HydrophobicContact CG1-CD2 3.62Å; I948-L1030 HydrophobicContact CG1-CG 3.51Å; A952-L1030 HydrophobicContact CB-CD2 3.71Å; A1026-L1030 WeakPolarHBondContact O-CG 3.39Å; A1026-L1030 PolarHBondContact O-N 3.21Å; N1027-L1030 PolarHBondContact O-N 3.04Å; L1030-G1035 CarbonylContact O-C 3.59Å; L1030-G1035 WeakPolarHBondContact O-CA 3.22Å; L1030-G1035 PolarHBondContact O-N 3.22Å; L1030-G1035 VanDerWaalsContact O-N 3.07Å; L1030-F1037 HydrophobicContact CB-CB 4.41Å; L1030-F1037 HydrophobicContact CD2-CB 4.14Å; L1030-F1037 HydrophobicContact CD2-CD1 4.34Å; L1030-F1037 HydrophobicContact CD2-CD2 3.55Å; L1030-F1037 HydrophobicContact CD2-CE2 4Å; L1030-F1037 HydrophobicContact CD2-CG 3.75Å; L1030-T1039 HydrophobicContact CD1-CG2 4.37Å; L1030-L1058 HydrophobicContact CD1-CD1 4.31Å
1031	T	91.3	Very high	93.3	Very high	45 Å²	45	47.6 Å²	47.6	28%	0.276	25%	0.252	S	S	.	.	I	π-helix	trans	-98.5	-38.9	-168.5	52.2	0	0	0	0	113.5	N1027 H1028 T1039	N1027-T1031 WeakPolarHBondContact O-CB 2.72Å; N1027-T1031 PolarHBondContact O-N 3.1Å; N1027-T1031 PolarHBondContact O-OG1 3Å; H1028-T1031 PolarHBondContact O-N 2.7Å; T1031-T1039 HydrophobicContact CG2-CG2 4.1Å; T1031-T1039 VanDerWaalsContact CG2-OG1 3.3Å; T1031-T1039 WeakPolarHBondContact CG2-OG1 3.26Å
1032	H	89.8	Confident	93	Very high	142 Å²	142	50.9 Å²	50.9	66%	0.657	27%	0.265	S	S	*	.	I	π-helix	trans	-106.4	-29.1	-171.9	-62.5	76.3	0	0	0	113.6	H1028	H1028-H1032 AromaticContact CE1-CG 3.96Å; H1028-H1032 AromaticContact ND1-CG 3.68Å; H1028-H1032 AromaticContact ND1-ND1 3.71Å; H1028-H1032 WeakPolarHBondContact O-CB 3.48Å; H1028-H1032 PolarHBondContact O-N 3.43Å
1033	V	89.9	Confident	92.7	Very high	66 Å²	66	51.9 Å²	51.9	40%	0.4	28%	0.275	S	S	.	.	I	π-helix	trans	-96	-58.3	-176.1	-177	0	0	0	0	111.8	H945 H1028 L1029	H945-V1033 HydrophobicContact CB-CG1 4.14Å; H1028-V1033 PolarHBondContact O-N 3.39Å; L1029-V1033 HydrophobicContact CD2-CB 4.01Å; L1029-V1033 HydrophobicContact CD2-CG1 4.11Å; L1029-V1033 HydrophobicContact CD2-CG2 3.96Å
1034	V	89.7	Confident	92.4	Very high	46 Å²	46	59.5 Å²	59.5	28%	0.279	31%	0.31	S	S	.	.	S	Bend	trans	-89.5	-40.3	180	-177.8	0	0	0	0	111.5	H945 I948 K949 L1029	H945-V1034 HydrophobicContact CB-CG2 4Å; H945-V1034 WeakPolarHBondContact O-CG2 3.41Å; I948-V1034 HydrophobicContact CG2-CB 4.31Å; I948-V1034 HydrophobicContact CG2-CG2 3.64Å; K949-V1034 HydrophobicContact CB-CG1 4.27Å; K949-V1034 HydrophobicContact CD-CG1 4.24Å; L1029-V1034 PolarHBondContact O-N 3.25Å
1035	G	86.7	Confident	92.2	Very high	24 Å²	24	58.7 Å²	58.7	25%	0.247	30%	0.304	C	S	.	.			trans	72.1	-179.9	-178	0	0	0	0	0	113.8	L1030 F1037	L1030-G1035 CarbonylContact O-C 3.59Å; L1030-G1035 WeakPolarHBondContact O-CA 3.22Å; L1030-G1035 PolarHBondContact O-N 3.22Å; L1030-G1035 VanDerWaalsContact O-N 3.07Å; G1035-F1037 WeakPolarHBondContact O-CD2 3.23Å
1036	G	87	Confident	92	Very high	40 Å²	40	60.3 Å²	60.3	41%	0.412	32%	0.315	S	S	.	.			trans	87.4	-1.2	174.8	0	0	0	0	0	116.2	E1061 N1062	G1036-E1061 CarbonylContact O-C 3.43Å; G1036-E1061 VanDerWaalsContact O-CA 3.28Å; G1036-E1061 WeakPolarHBondContact O-CA 3.19Å; G1036-N1062 PolarHBondContact O-N 3.1Å
1037	F	92.9	Very high	91.7	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.3	178.6	-64.5	-88.4	0	0	0	112.1	K949 A952 R953 L956 L1030 G1035 L1058 G1060 E1061	K949-F1037 HydrophobicContact CB-CE2 4.25Å; K949-F1037 HydrophobicContact CB-CZ 4.42Å; K949-F1037 HydrophobicContact CG-CE2 3.97Å; K949-F1037 HydrophobicContact CG-CZ 3.93Å; A952-F1037 HydrophobicContact CB-CD1 4.1Å; A952-F1037 HydrophobicContact CB-CE1 3.62Å; A952-F1037 HydrophobicContact CB-CZ 3.87Å; R953-F1037 HydrophobicContact CG-CE1 4.43Å; R953-F1037 HydrophobicContact CG-CZ 4.27Å; L956-F1037 HydrophobicContact CD1-CD1 4.5Å; L956-F1037 HydrophobicContact CD1-CE1 4.36Å; L1030-F1037 HydrophobicContact CB-CB 4.41Å; L1030-F1037 HydrophobicContact CD2-CB 4.14Å; L1030-F1037 HydrophobicContact CD2-CD1 4.34Å; L1030-F1037 HydrophobicContact CD2-CD2 3.55Å; L1030-F1037 HydrophobicContact CD2-CE2 4Å; L1030-F1037 HydrophobicContact CD2-CG 3.75Å; G1035-F1037 WeakPolarHBondContact O-CD2 3.23Å; F1037-L1058 HydrophobicContact CB-CD1 3.94Å; F1037-L1058 HydrophobicContact CD1-CD1 4.02Å; F1037-L1058 HydrophobicContact CG-CD1 4.34Å; F1037-G1060 CarbonylContact C-O 3.21Å; F1037-G1060 WeakPolarHBondContact CA-O 3.07Å; F1037-E1061 HydrophobicContact CD1-CG 3.62Å; F1037-E1061 HydrophobicContact CE1-CG 3.39Å; F1037-E1061 WeakPolarHBondContact CE1-OE1 3.44Å; F1037-E1061 HydrophobicContact CG-CG 4.5Å; F1037-E1061 HydrophobicContact CZ-CG 4.11Å
1038	R	93.5	Very high	91.2	Very high	100 Å²	100	68.3 Å²	68.3	38%	0.377	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.8	174.4	-68.6	-175.5	-92.9	-162.7	-6.1	109.9	L1059 G1060 E1061 N1062 D1063	R1038-L1059 HydrophobicContact CB-CB 4.27Å; R1038-L1059 PolarHBondContact O-N 2.63Å; R1038-G1060 PolarHBondContact N-O 2.72Å; R1038-E1061 VanDerWaalsContact CZ-O 3.26Å; R1038-E1061 PolarHBondContact NE-O 3.24Å; R1038-E1061 PolarHBondContact NH2-O 2.89Å; R1038-N1062 WeakPolarHBondContact CD-OD1 3.31Å; R1038-N1062 WeakPolarHBondContact CG-OD1 2.95Å; R1038-D1063 IonicContact CZ-OD2 2.76Å; R1038-D1063 IonicContact NH1-OD2 3.27Å; R1038-D1063 PolarHBondContact NH1-OD2 3.13Å; R1038-D1063 IonicContact NH2-OD1 2.72Å; R1038-D1063 PolarHBondContact NH2-OD1 3.31Å; R1038-D1063 IonicContact NH2-OD2 3.22Å; R1038-D1063 PolarHBondContact NH2-OD2 3.15Å
1039	T	94.6	Very high	90.7	Very high	38 Å²	38	66.7 Å²	66.7	23%	0.233	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.3	174.8	62	0	0	0	0	111.3	N1027 L1030 T1031 W1057 L1058	N1027-T1039 WeakPolarHBondContact OD1-CB 3.32Å; N1027-T1039 VanDerWaalsContact OD1-CG2 3.3Å; N1027-T1039 WeakPolarHBondContact OD1-CG2 3.49Å; N1027-T1039 PolarHBondContact OD1-OG1 2.86Å; L1030-T1039 HydrophobicContact CD1-CG2 4.37Å; T1031-T1039 HydrophobicContact CG2-CG2 4.1Å; T1031-T1039 VanDerWaalsContact CG2-OG1 3.3Å; T1031-T1039 WeakPolarHBondContact CG2-OG1 3.26Å; T1039-W1057 CarbonylContact C-O 3.47Å; T1039-W1057 WeakPolarHBondContact CA-O 3.1Å; T1039-W1057 WeakPolarHBondContact CB-O 3.09Å; T1039-L1058 HydrophobicContact CG2-CD1 4.13Å
1040	E	95	Very high	90.3	Very high	108 Å²	108	70.1 Å²	70.1	51%	0.505	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.2	177.8	179.5	-175.8	-177.5	0	0	109.4	R1042 Y1056 W1057 L1059	E1040-R1042 PolarHBondContact O-N 2.89Å; E1040-Y1056 CarbonylContact O-C 3.48Å; E1040-Y1056 WeakPolarHBondContact O-CA 3.36Å; E1040-Y1056 WeakPolarHBondContact O-CB 3.46Å; E1040-W1057 HydrophobicContact CB-CB 4.49Å; E1040-W1057 PolarHBondContact N-O 3.01Å; E1040-W1057 PolarHBondContact O-N 2.74Å; E1040-L1059 HydrophobicContact CB-CD1 3.88Å; E1040-L1059 HydrophobicContact CB-CD2 4.47Å; E1040-L1059 HydrophobicContact CB-CG 4.25Å
1041	E	94.5	Very high	90	Very high	118 Å²	118	71.9 Å²	71.9	55%	0.551	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.4	176.2	-175.1	171.4	-167.3	0	0	110.4	N1054 Y1056	E1041-N1054 PolarHBondContact OE1-ND2 2.8Å; E1041-N1054 PolarHBondContact OE1-OD1 2.8Å; E1041-Y1056 HydrophobicContact CB-CD1 4.1Å; E1041-Y1056 HydrophobicContact CB-CE1 4.01Å; E1041-Y1056 HydrophobicContact CG-CE1 4.16Å
1042	R	91.7	Very high	90	Very high	70 Å²	70	73.9 Å²	73.9	26%	0.264	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-28	172.7	180	-179.2	173.4	166.9	-5.7	111.4	N1014 H1021 E1040 V1045 T1055 W1057	N1014-R1042 VanDerWaalsContact O-CZ 3.22Å; N1014-R1042 PolarHBondContact O-NH1 2.93Å; N1014-R1042 PolarHBondContact O-NH2 2.99Å; H1021-R1042 PolarHBondContact CE1-NH1 2.86Å; H1021-R1042 PolarHBondContact ND1-NH1 2.65Å; H1021-R1042 WeakPolarHBondContact NE2-CD 3.29Å; H1021-R1042 PolarHBondContact NE2-NH1 3.12Å; E1040-R1042 PolarHBondContact O-N 2.89Å; R1042-V1045 HydrophobicContact CG-CG2 4.29Å; R1042-T1055 VanDerWaalsContact CB-O 3.3Å; R1042-T1055 WeakPolarHBondContact CB-O 3.31Å; R1042-T1055 PolarHBondContact N-O 2.76Å; R1042-W1057 HydrophobicContact CG-CZ2 3.98Å
1043	G	89.5	Confident	90.1	Very high	20 Å²	20	68.3 Å²	68.3	21%	0.206	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	93.5	-171.2	-171.7	0	0	0	0	0	112.9	V1045 N1054 T1055	G1043-V1045 PolarHBondContact O-N 2.92Å; G1043-N1054 VanDerWaalsContact C-OD1 3.26Å; G1043-N1054 WeakPolarHBondContact CA-OD1 3.31Å; G1043-N1054 PolarHBondContact O-OD1 3.38Å; G1043-T1055 PolarHBondContact O-N 2.95Å; G1043-T1055 PolarHBondContact O-OG1 3.22Å
1044	E	90.1	Very high	90.2	Very high	160 Å²	160	67.2 Å²	67.2	75%	0.748	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	121.5	-177.3	-72.6	-172.3	161.2	0	0	112.4	V1052 M1053	E1044-V1052 HydrophobicContact CB-CG1 3.56Å; E1044-V1052 HydrophobicContact CG-CG1 3.73Å; E1044-M1053 WeakPolarHBondContact CA-O 3.45Å
1045	V	90.5	Very high	90.5	Very high	20 Å²	20	65 Å²	65	12%	0.121	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.9	176.5	-176.2	0	0	0	0	109.1	R1042 G1043 I1047 M1053	R1042-V1045 HydrophobicContact CG-CG2 4.29Å; G1043-V1045 PolarHBondContact O-N 2.92Å; V1045-I1047 HydrophobicContact CB-CD1 4.42Å; V1045-I1047 HydrophobicContact CG1-CD1 3.82Å; V1045-I1047 HydrophobicContact CG1-CG1 4.4Å; V1045-I1047 PolarHBondContact O-N 3.08Å; V1045-M1053 PolarHBondContact N-O 3Å; V1045-M1053 PolarHBondContact O-N 3.15Å
1046	I	90.9	Very high	91	Very high	134 Å²	134	66 Å²	66	69%	0.687	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	106.1	174.3	-57.4	174.7	0	0	0	108.6	V1052	I1046-V1052 HydrophobicContact CG1-CG2 4.24Å
1047	I	89.9	Confident	91.5	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.9	178	-61.4	-63.3	0	0	0	108.5	R1010 M1011 N1014 V1045 G1049 K1050 G1051 M1053	R1010-I1047 HydrophobicContact CB-CG2 3.72Å; R1010-I1047 VanDerWaalsContact CD-CG2 3.5Å; R1010-I1047 HydrophobicContact CG-CG2 4.13Å; M1011-I1047 HydrophobicContact CE-CD1 3.57Å; M1011-I1047 HydrophobicContact CE-CG1 3.76Å; M1011-I1047 HydrophobicContact CE-CG2 4.37Å; N1014-I1047 HydrophobicContact CB-CD1 3.99Å; V1045-I1047 HydrophobicContact CB-CD1 4.42Å; V1045-I1047 HydrophobicContact CG1-CD1 3.82Å; V1045-I1047 HydrophobicContact CG1-CG1 4.4Å; V1045-I1047 PolarHBondContact O-N 3.08Å; I1047-G1049 PolarHBondContact O-N 3.2Å; I1047-G1049 VanDerWaalsContact O-N 3.15Å; I1047-K1050 HydrophobicContact CB-CB 4.06Å; I1047-K1050 HydrophobicContact CG2-CB 3.96Å; I1047-K1050 HydrophobicContact CG2-CG 4.1Å; I1047-K1050 PolarHBondContact O-N 3.1Å; I1047-G1051 PolarHBondContact N-O 3.22Å; I1047-G1051 PolarHBondContact O-N 3.11Å; I1047-M1053 HydrophobicContact CB-CG 4.48Å; I1047-M1053 HydrophobicContact CB-SD 4.03Å; I1047-M1053 HydrophobicContact CG1-CB 4.31Å; I1047-M1053 HydrophobicContact CG1-CG 4.36Å; I1047-M1053 HydrophobicContact CG1-SD 4Å; I1047-M1053 HydrophobicContact CG2-SD 4.25Å
1048	K	85.5	Confident	91.7	Very high	178 Å²	178	65 Å²	65	77%	0.774	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	124.1	178.7	-178.3	178.6	-178.8	179.9	0	109.4	R1010 K1050	R1010-K1048 VanDerWaalsContact CD-O 3.31Å; R1010-K1048 WeakPolarHBondContact CD-O 3.41Å; R1010-K1048 PolarHBondContact NE-O 3.32Å; R1010-K1048 PolarHBondContact NH1-O 2.91Å; R1010-K1048 PolarHBondContact NH2-O 2.97Å; K1048-K1050 VanDerWaalsContact C-N 3.28Å; K1048-K1050 PolarHBondContact O-N 2.51Å
1049	G	83.6	Confident	91.7	Very high	68 Å²	68	64.5 Å²	64.5	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-0.6	178.3	0	0	0	0	0	116.8	I1047	I1047-G1049 PolarHBondContact O-N 3.2Å; I1047-G1049 VanDerWaalsContact O-N 3.15Å
1050	K	85.9	Confident	91.5	Very high	84 Å²	84	63.3 Å²	63.3	37%	0.365	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-20.3	170.1	-71.9	-69.6	-169.8	169.4	0	113.2	D1003 T1007 I1047 K1048 M1053	D1003-K1050 IonicContact OD1-NZ 3.73Å; D1003-K1050 WeakPolarHBondContact OD2-CE 3.33Å; D1003-K1050 IonicContact OD2-NZ 3.8Å; D1003-K1050 PolarHBondContact OD2-NZ 3.2Å; T1007-K1050 WeakPolarHBondContact OG1-CE 3.3Å; I1047-K1050 HydrophobicContact CB-CB 4.06Å; I1047-K1050 HydrophobicContact CG2-CB 3.96Å; I1047-K1050 HydrophobicContact CG2-CG 4.1Å; I1047-K1050 PolarHBondContact O-N 3.1Å; K1048-K1050 VanDerWaalsContact C-N 3.28Å; K1048-K1050 PolarHBondContact O-N 2.51Å; K1050-M1053 HydrophobicContact CB-CG 4.01Å; K1050-M1053 HydrophobicContact CB-SD 3.45Å; K1050-M1053 WeakPolarHBondContact CB-SD 3.34Å; K1050-M1053 HydrophobicContact CD-SD 4.37Å; K1050-M1053 HydrophobicContact CG-SD 3.74Å
1051	G	88.4	Confident	91.2	Very high	36 Å²	36	61.2 Å²	61.2	37%	0.371	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.9	-150.7	-174.2	0	0	0	0	0	111	I1047	I1047-G1051 PolarHBondContact N-O 3.22Å; I1047-G1051 PolarHBondContact O-N 3.11Å
1052	V	90.3	Very high	90.6	Very high	87 Å²	87	59.1 Å²	59.1	53%	0.527	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.2	177.5	-176.1	0	0	0	0	108.8	E1044 I1046	E1044-V1052 HydrophobicContact CB-CG1 3.56Å; E1044-V1052 HydrophobicContact CG-CG1 3.73Å; I1046-V1052 HydrophobicContact CG1-CG2 4.24Å
1053	M	91	Very high	88.7	Confident	25 Å²	25	62.6 Å²	62.6	12%	0.123	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.3	175.1	-66.7	-178.1	70	0	0	109.7	T1007 E1044 V1045 I1047 K1050 T1055	T1007-M1053 HydrophobicContact CG2-CE 4.34Å; E1044-M1053 WeakPolarHBondContact CA-O 3.45Å; V1045-M1053 PolarHBondContact N-O 3Å; V1045-M1053 PolarHBondContact O-N 3.15Å; I1047-M1053 HydrophobicContact CB-CG 4.48Å; I1047-M1053 HydrophobicContact CB-SD 4.03Å; I1047-M1053 HydrophobicContact CG1-CB 4.31Å; I1047-M1053 HydrophobicContact CG1-CG 4.36Å; I1047-M1053 HydrophobicContact CG1-SD 4Å; I1047-M1053 HydrophobicContact CG2-SD 4.25Å; K1050-M1053 HydrophobicContact CB-CG 4.01Å; K1050-M1053 HydrophobicContact CB-SD 3.45Å; K1050-M1053 WeakPolarHBondContact CB-SD 3.34Å; K1050-M1053 HydrophobicContact CD-SD 4.37Å; K1050-M1053 HydrophobicContact CG-SD 3.74Å; M1053-T1055 HydrophobicContact CB-CG2 4.2Å
1054	N	93.6	Very high	86.4	Confident	44 Å²	44	66.4 Å²	66.4	24%	0.235	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	138.9	162.3	-160.3	11	0	0	0	109.4	S1024 E1041 G1043 Y1056	S1024-N1054 PolarHBondContact OG-O 2.79Å; E1041-N1054 PolarHBondContact OE1-ND2 2.8Å; E1041-N1054 PolarHBondContact OE1-OD1 2.8Å; G1043-N1054 VanDerWaalsContact C-OD1 3.26Å; G1043-N1054 WeakPolarHBondContact CA-OD1 3.31Å; G1043-N1054 PolarHBondContact O-OD1 3.38Å; N1054-Y1056 PolarHBondContact ND2-OH 3.27Å
1055	T	95.7	Very high	83.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	166	-174.8	60.1	0	0	0	0	111.1	M1011 H1021 R1042 G1043 M1053	M1011-T1055 HydrophobicContact CE-CG2 4.31Å; M1011-T1055 HydrophobicContact SD-CG2 3.93Å; H1021-T1055 WeakPolarHBondContact NE2-CB 3.4Å; H1021-T1055 PolarHBondContact NE2-OG1 3.22Å; R1042-T1055 VanDerWaalsContact CB-O 3.3Å; R1042-T1055 WeakPolarHBondContact CB-O 3.31Å; R1042-T1055 PolarHBondContact N-O 2.76Å; G1043-T1055 PolarHBondContact O-N 2.95Å; G1043-T1055 PolarHBondContact O-OG1 3.22Å; M1053-T1055 HydrophobicContact CB-CG2 4.2Å
1056	Y	97.3	Very high	80.8	Confident	45 Å²	45	69 Å²	69	18%	0.176	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.1	-171	-55.6	-98	0	0	0	111.6	V1022 N1027 E1040 E1041 N1054	V1022-Y1056 WeakPolarHBondContact CG2-O 2.87Å; V1022-Y1056 PolarHBondContact N-O 3.42Å; V1022-Y1056 PolarHBondContact O-N 3.28Å; N1027-Y1056 HydrophobicContact CB-CD1 4.5Å; N1027-Y1056 HydrophobicContact CB-CD2 3.37Å; N1027-Y1056 HydrophobicContact CB-CE2 3.88Å; N1027-Y1056 HydrophobicContact CB-CG 3.76Å; N1027-Y1056 VanDerWaalsContact CG-CD2 3.47Å; N1027-Y1056 VanDerWaalsContact CG-CG 3.41Å; N1027-Y1056 WeakPolarHBondContact ND2-CD1 3.48Å; N1027-Y1056 WeakPolarHBondContact ND2-CD2 3.29Å; N1027-Y1056 WeakPolarHBondContact ND2-CE1 3.08Å; N1027-Y1056 WeakPolarHBondContact ND2-CE2 3.43Å; N1027-Y1056 VanDerWaalsContact ND2-CZ 3.33Å; E1040-Y1056 CarbonylContact O-C 3.48Å; E1040-Y1056 WeakPolarHBondContact O-CA 3.36Å; E1040-Y1056 WeakPolarHBondContact O-CB 3.46Å; E1041-Y1056 HydrophobicContact CB-CD1 4.1Å; E1041-Y1056 HydrophobicContact CB-CE1 4.01Å; E1041-Y1056 HydrophobicContact CG-CE1 4.16Å; N1054-Y1056 PolarHBondContact ND2-OH 3.27Å
1057	W	97.1	Very high	78	Confident	21 Å²	21	68 Å²	68	8%	0.08	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.2	167.1	-61.8	115.9	0	0	0	109.4	K1016 R1019 I1020 H1021 T1039 E1040 R1042 L1059	K1016-W1057 HydrophobicContact CB-CH2 3.88Å; K1016-W1057 HydrophobicContact CB-CZ2 4.42Å; K1016-W1057 HydrophobicContact CD-CH2 4.3Å; K1016-W1057 HydrophobicContact CD-CZ2 4.01Å; K1016-W1057 HydrophobicContact CG-CH2 3.86Å; K1016-W1057 HydrophobicContact CG-CZ2 4.06Å; R1019-W1057 HydrophobicContact CB-CD2 4.46Å; R1019-W1057 HydrophobicContact CB-CE3 3.64Å; R1019-W1057 HydrophobicContact CB-CH2 4.25Å; R1019-W1057 HydrophobicContact CB-CZ3 3.51Å; R1019-W1057 HydrophobicContact CG-CE3 4.42Å; R1019-W1057 HydrophobicContact CG-CZ3 4.4Å; I1020-W1057 WeakPolarHBondContact O-CA 3.48Å; H1021-W1057 HydrophobicContact CB-CE3 4.14Å; H1021-W1057 HydrophobicContact CB-CH2 4.28Å; H1021-W1057 HydrophobicContact CB-CZ3 3.58Å; H1021-W1057 AromaticContact CG-CZ3 3.97Å; T1039-W1057 CarbonylContact C-O 3.47Å; T1039-W1057 WeakPolarHBondContact CA-O 3.1Å; T1039-W1057 WeakPolarHBondContact CB-O 3.09Å; E1040-W1057 HydrophobicContact CB-CB 4.49Å; E1040-W1057 PolarHBondContact N-O 3.01Å; E1040-W1057 PolarHBondContact O-N 2.74Å; R1042-W1057 HydrophobicContact CG-CZ2 3.98Å; W1057-L1059 HydrophobicContact CB-CD2 4.2Å
1058	L	96.5	Very high	75.1	Confident	7 Å²	7	76.3 Å²	76.3	4%	0.037	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.4	166.4	173.3	64.3	0	0	0	109.3	A952 L956 I1020 V1022 L1030 F1037 T1039	A952-L1058 HydrophobicContact CB-CD2 3.68Å; L956-L1058 HydrophobicContact CG-CD2 4.39Å; I1020-L1058 HydrophobicContact CB-CB 4.03Å; I1020-L1058 HydrophobicContact CD1-CD2 4.13Å; I1020-L1058 HydrophobicContact CD1-CG 4.44Å; I1020-L1058 HydrophobicContact CG2-CB 3.9Å; I1020-L1058 HydrophobicContact CG2-CD2 4.14Å; I1020-L1058 PolarHBondContact O-N 2.86Å; V1022-L1058 HydrophobicContact CG1-CB 3.98Å; L1030-L1058 HydrophobicContact CD1-CD1 4.31Å; F1037-L1058 HydrophobicContact CB-CD1 3.94Å; F1037-L1058 HydrophobicContact CD1-CD1 4.02Å; F1037-L1058 HydrophobicContact CG-CD1 4.34Å; T1039-L1058 HydrophobicContact CG2-CD1 4.13Å
1059	L	93.2	Very high	72.4	Confident	91 Å²	91	72.8 Å²	72.8	48%	0.476	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-35.2	-174.7	-59.3	-176.1	0	0	0	113.5	R1038 E1040 W1057	R1038-L1059 HydrophobicContact CB-CB 4.27Å; R1038-L1059 PolarHBondContact O-N 2.63Å; E1040-L1059 HydrophobicContact CB-CD1 3.88Å; E1040-L1059 HydrophobicContact CB-CD2 4.47Å; E1040-L1059 HydrophobicContact CB-CG 4.25Å; W1057-L1059 HydrophobicContact CB-CD2 4.2Å
1060	G	91.2	Very high	69.8	Low	12 Å²	12	75.4 Å²	75.4	12%	0.124	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164	-170.5	-177.1	0	0	0	0	0	113.2	F1037 R1038	F1037-G1060 CarbonylContact C-O 3.21Å; F1037-G1060 WeakPolarHBondContact CA-O 3.07Å; R1038-G1060 PolarHBondContact N-O 2.72Å
1061	E	88.7	Confident	67.1	Low	64 Å²	64	80 Å²	80	30%	0.299	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	152.7	171.8	-71	-171.1	-159.9	0	0	111.1	R953 L956 G1036 F1037 R1038	R953-E1061 WeakPolarHBondContact CG-OE1 3.33Å; R953-E1061 IonicContact CZ-OE1 2.81Å; R953-E1061 IonicContact CZ-OE2 3.11Å; R953-E1061 IonicContact NE-OE1 2.73Å; R953-E1061 PolarHBondContact NE-OE1 2.95Å; R953-E1061 IonicContact NE-OE2 2.76Å; R953-E1061 IonicContact NH2-OE1 3.12Å; R953-E1061 IonicContact NH2-OE2 3.97Å; R953-E1061 PolarHBondContact NH2-OE2 3.44Å; R953-E1061 VanDerWaalsContact NH2-OE2 3.15Å; L956-E1061 HydrophobicContact CD1-CG 4.48Å; G1036-E1061 CarbonylContact O-C 3.43Å; G1036-E1061 VanDerWaalsContact O-CA 3.28Å; G1036-E1061 WeakPolarHBondContact O-CA 3.19Å; F1037-E1061 HydrophobicContact CD1-CG 3.62Å; F1037-E1061 HydrophobicContact CE1-CG 3.39Å; F1037-E1061 WeakPolarHBondContact CE1-OE1 3.44Å; F1037-E1061 HydrophobicContact CG-CG 4.5Å; F1037-E1061 HydrophobicContact CZ-CG 4.11Å; R1038-E1061 VanDerWaalsContact CZ-O 3.26Å; R1038-E1061 PolarHBondContact NE-O 3.24Å; R1038-E1061 PolarHBondContact NH2-O 2.89Å
1062	N	81.2	Confident	64.3	Low	75 Å²	75	88 Å²	88	40%	0.401	47%	0.472	S	S	.	.			trans	-73.8	133.6	175.5	-81.7	-35.8	0	0	0	111	G1036 R1038 S1064	G1036-N1062 PolarHBondContact O-N 3.1Å; R1038-N1062 WeakPolarHBondContact CD-OD1 3.31Å; R1038-N1062 WeakPolarHBondContact CG-OD1 2.95Å; N1062-S1064 PolarHBondContact O-N 2.95Å
1063	D	53.4	Low	61.3	Low	142 Å²	142	92.7 Å²	92.7	76%	0.759	49%	0.485	S	S	*	.	S	Bend	trans	-72.7	27.4	-175.2	-62	-45.2	0	0	0	114.9	R1038	R1038-D1063 IonicContact CZ-OD2 2.76Å; R1038-D1063 IonicContact NH1-OD2 3.27Å; R1038-D1063 PolarHBondContact NH1-OD2 3.13Å; R1038-D1063 IonicContact NH2-OD1 2.72Å; R1038-D1063 PolarHBondContact NH2-OD1 3.31Å; R1038-D1063 IonicContact NH2-OD2 3.22Å; R1038-D1063 PolarHBondContact NH2-OD2 3.15Å
1064	S	39.4	Very low	58.3	Low	100 Å²	100	103.2 Å²	103.2	70%	0.699	52%	0.523	S	S	*	.			trans	-135	47.2	-173	52.4	0	0	0	0	114.3	N1062	N1062-S1064 PolarHBondContact O-N 2.95Å
1065	V	36	Very low	55.3	Low	116 Å²	116	108 Å²	108	70%	0.703	54%	0.544	S	S	*	.	S	Bend	trans	-140.4	120	146.9	-177.7	0	0	0	0	106.3	V1067	V1065-V1067 VanDerWaalsContact C-N 3.25Å; V1065-V1067 PolarHBondContact O-N 3.12Å
1066	P	27.6	Very low	52.3	Low	120 Å²	120	115.4 Å²	115.4	78%	0.779	58%	0.584	S	S	*	*			trans	-64.6	99.4	166.2	27	-28.1	0	0	0	105.4	K1068	P1066-K1068 PolarHBondContact O-N 3.45Å
1067	V	32.6	Very low	49.1	Very low	112 Å²	112	120 Å²	120	68%	0.679	62%	0.617	S	S	*	*			trans	-56.8	102	155.1	179.9	0	0	0	0	102.5	V1065 S1069	V1065-V1067 VanDerWaalsContact C-N 3.25Å; V1065-V1067 PolarHBondContact O-N 3.12Å; V1067-S1069 VanDerWaalsContact C-N 3.29Å; V1067-S1069 PolarHBondContact O-N 2.03Å
1068	K	28.4	Very low	45.9	Very low	175 Å²	175	124.9 Å²	124.9	76%	0.761	65%	0.651	S	S	*	*			trans	-44.9	111.2	163.4	-81.8	-176.8	176.1	178.9	0	103.3	P1066 N1070	P1066-K1068 PolarHBondContact O-N 3.45Å; K1068-N1070 PolarHBondContact O-N 3.33Å
1069	S	29.7	Very low	42.8	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	68%	0.684	S	S	*	*			trans	-63.1	77.1	164.7	45.1	0	0	0	0	105.2	V1067 M1071	V1067-S1069 VanDerWaalsContact C-N 3.29Å; V1067-S1069 PolarHBondContact O-N 2.03Å; S1069-M1071 PolarHBondContact O-N 3.41Å
1070	N	29.1	Very low	39.7	Very low	123 Å²	123	130.5 Å²	130.5	66%	0.658	69%	0.688	S	S	*	*			trans	-68.4	62.6	147.7	-80.7	-17.4	0	0	0	105.7	K1068 R1072	K1068-N1070 PolarHBondContact O-N 3.33Å; N1070-R1072 PolarHBondContact O-N 2.66Å
1071	M	29.6	Very low	36.8	Very low	180 Å²	180	134.7 Å²	134.7	89%	0.887	72%	0.721	S	S	*	*			trans	-64.9	66.9	138.7	-83.6	-174.6	173.8	0	0	106	S1069 K1073	S1069-M1071 PolarHBondContact O-N 3.41Å; M1071-K1073 VanDerWaalsContact C-N 3.34Å; M1071-K1073 PolarHBondContact O-N 2.86Å
1072	R	28.3	Very low	34.1	Very low	206 Å²	206	137.9 Å²	137.9	78%	0.777	73%	0.73	S	S	*	*			trans	-73.1	105.4	149	-80.4	-173.7	175.5	-173	-2.5	103.2	N1070 R1074	N1070-R1072 PolarHBondContact O-N 2.66Å; R1072-R1074 VanDerWaalsContact C-N 3.27Å; R1072-R1074 PolarHBondContact O-N 2.95Å
1073	K	27.5	Very low	31.8	Very low	185 Å²	185	139.4 Å²	139.4	80%	0.804	75%	0.747	S	S	*	*			trans	-41.3	101.1	155.7	-79.7	-179	170.4	-171.8	0	107.1	M1071	M1071-K1073 VanDerWaalsContact C-N 3.34Å; M1071-K1073 PolarHBondContact O-N 2.86Å
1074	R	28.9	Very low	30.9	Very low	245 Å²	245	138.3 Å²	138.3	93%	0.925	74%	0.74	S	S	*	*			trans	-94.7	85.6	158.3	-96.9	-174.1	168.2	178.8	-3.7	104.8	R1072	R1072-R1074 VanDerWaalsContact C-N 3.27Å; R1072-R1074 PolarHBondContact O-N 2.95Å
1075	E	29.5	Very low	30.7	Very low	146 Å²	146	139.5 Å²	139.5	68%	0.682	74%	0.743	S	S	*	*			trans	-58.4	144.7	150.1	-75.3	161.5	176.4	0	0	108.3
1076	N	32.4	Very low	30.5	Very low	154 Å²	154	139 Å²	139	82%	0.824	74%	0.742	S	S	*	*			trans	80.6	92.2	168.9	-57.8	-24.6	0	0	0	119.2
1077	T	31	Very low	30.7	Very low	142 Å²	142	142.1 Å²	142.1	87%	0.871	75%	0.746	S	S	*	*				-164.7	132.7	114.3	-9.4	0	0	0	0	110.4
1078	P	30.3	Very low	30.9	Very low	124 Å²	124	148.5 Å²	148.5	81%	0.805	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-84.5	123	-176.5	32.2	-29.8	0	0	0	111.1
1079	S	30.1	Very low	31	Very low	104 Å²	104	147.2 Å²	147.2	73%	0.727	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-90.3	118.8	165.6	59.8	0	0	0	0	109.7	A1081	S1079-A1081 PolarHBondContact O-N 2.84Å
1080	M	29.5	Very low	31.1	Very low	112 Å²	112	149.4 Å²	149.4	55%	0.552	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-51.9	117.8	176.6	-68.2	170.4	-176.6	0	0	111.8	R857	R857-M1080 PolarHBondContact NH2-O 3.45Å
1081	A	30.3	Very low	31.2	Very low	100 Å²	100	150.9 Å²	150.9	83%	0.826	78%	0.784	S	S	*	*			trans	-98.8	82.9	150.7	0	0	0	0	0	107.9	S1079 S1083	S1079-A1081 PolarHBondContact O-N 2.84Å; A1081-S1083 PolarHBondContact O-N 3.26Å
1082	R	32.1	Very low	31.3	Very low	130 Å²	130	149.2 Å²	149.2	49%	0.491	78%	0.778	S	S	.	*			trans	-70.9	102.3	163.2	-84.9	-179.3	173.1	175.5	-3.4	107.9
1083	S	32.8	Very low	31.5	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	78%	0.778	S	S	*	*			trans	-78.1	112.3	150.2	64.2	0	0	0	0	107.6	A1081 T1085	A1081-S1083 PolarHBondContact O-N 3.26Å; S1083-T1085 PolarHBondContact O-N 3.13Å
1084	I	33.4	Very low	31.7	Very low	119 Å²	119	143 Å²	143	61%	0.61	78%	0.776	S	S	*	*			trans	-73.4	117.4	165.8	-65.2	165.8	0	0	0	106.3	L854	L854-I1084 HydrophobicContact CD1-CD1 4.44Å; L854-I1084 HydrophobicContact CD2-CD1 4.1Å
1085	T	35.5	Very low	31.9	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	77%	0.766	S	S	*	*			trans	-111.4	129.2	150.2	40.5	0	0	0	0	107.2	S1083	S1083-T1085 PolarHBondContact O-N 3.13Å
1086	P	32.8	Very low	32.1	Very low	106 Å²	106	134.9 Å²	134.9	69%	0.688	77%	0.772	S	S	*	*			trans	-80.5	148.5	177	33.7	-31.4	0	0	0	111.3
1087	E	31.2	Very low	32.1	Very low	185 Å²	185	133.3 Å²	133.3	86%	0.864	77%	0.768	S	S	*	*			trans	50.2	106	154.5	-63.4	178.7	167.9	0	0	119.6
1088	I	36.3	Very low	32.2	Very low	246 Å²	246	132.5 Å²	132.5	100%	1.262	76%	0.758	S	S	*	*				-161.8	0	106.8	-85	160.8	0	0	0	107.8

Retrieved 1,088 of 1,088 residues in 1100.4 ms (Link to these results)

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