GCY17_CAEEL Loading...

Isoform b of Receptor-type guanylate cyclase gcy-17 AlphaSync

Canonical isoform description: Guanylate cyclase involved in the production of the second messenger cGMP (By similarity).

AlphaFold DB , UniProt , Accession X5M8U1-2 (canonical: X5M8U1), Species CAEEL (Caenorhabditis elegans), Gene gcy-17, Length 1,085 aa.

						>GCY17_CAEEL|X5M8U1-2|gcy-17
MLFLRLFIFTPFLILANCQARRTIKVGLLFVQNVSSLQVGIGYRTSAAAVLVTKNKIREDHVLDGFDFEFLWDFDECNEILGAGKTVDLLEVKKVDVIFGPTCSRPALISSALATYYNIPIFEWGLTSTRQLTDVKRFPTTLPFSVNSYSLAMAILGTLKQFQWTEFVFLYCNDGDDEKCESLKDDVQTVASAHEELSLAYTFRIQSKKLEDMRAAIVEIKKRGRIIVACVASGNGSKRTLMQAVALENANNSEYVYIMAETNSRGFVVEEVGGKWHYLWEGKFDDSDTFSTEDSRTSMANLLFLVDNMGMNNVVTPQYLNFSKNVIEMMKDEPFNCVEDCVGEEYSSVAKYAGQLADAFYAYAVAVNRLLTANPQAEIRNGTMILRNIGMTFEGVGGGDLTVDPDSARTSEIIMIGLNSSRLPETYGKLIINNQSVHFEQLYSDEVMDVWNGRQRPKAKPTCGFTGTQCPPDFVRDYLVIVIIIVMFLIFAVSAAVGAVFYAIRQKRKEIERQDELWHVEASHLKPISKKSKSEASQRSFASGPSTSTKLTVESRTETTRFIFYIYQNEVVAANKHDFRPQLTDVERSELRQMRSLDHDNLNKFIGLCLNSQQLLSIWRYCSRGSLADVISRSSMQMDSFFMLSLIRDIANGLGFIHTSMLHFHGYLSSRSCLIDDRWQVKISDFGLNEVRGMDKLSTENMLWWAPEVLRGLEQRSKEADIYSFGIICSEVITRSSAFDLENRKEKPEEIIYQLKKGGFNAIRPSLLTDEALEINPALVHLIRDCWTEKPSERPPIDQVRSLLRGMNDGKKGNLMDHVFNMLETYASTLEEEVNERTKELVEEQKKSDVLLYRMLPKTVAEKLKAGISIEPETFELVTIFFSDVVQFTTLASKCTPLQVVQLLNDLYTIFDSIIEQNDVYKVETIGDGYLCVSGLPHRNGHDHIKHIARMSLAFLSSLAEFRVAHMPSERINLRIGINCGSVVAGVVGLTMPRYCLFGDAVNTASRMESNGKPGRIHVSSEANHLLTHVVGGFRTEERGEVIIKGKGVMNTYWLLGENDSVPVKSNMRKRENTPSMARSITPEI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	43.3	Very low	41.7	Very low	237 Å²	237	171 Å²	171	100%	1.167	83%	0.833	S	S	*	*				0	111.8	0	-80.6	-179.7	157	0	0	108.6
2	L	37.9	Very low	41.9	Very low	119 Å²	119	172.2 Å²	172.2	62%	0.623	83%	0.831	S	S	*	*			cis	-104.7	106.1	-23.4	-101.3	81.4	0	0	0	106.7	L4 R5	L2-L4 HydrophobicContact CB-CB 4.27Å; L2-L4 HydrophobicContact CD2-CB 4.29Å; L2-L4 HydrophobicContact CG-CB 4.26Å; L2-L4 PolarHBondContact O-N 3.24Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L2-R5 HydrophobicContact CD2-CG 4.42Å
3	F	46.6	Very low	41.8	Very low	224 Å²	224	171.6 Å²	171.6	98%	0.982	83%	0.834	S	S	*	*			trans	-81.3	41.2	162.5	-107.4	-91.6	0	0	0	109.5
4	L	48.3	Very low	41.6	Very low	138 Å²	138	168.9 Å²	168.9	72%	0.723	82%	0.823	S	S	*	*			trans	-144.9	57.4	-160	-161.4	88.5	0	0	0	110.4	L2	L2-L4 HydrophobicContact CB-CB 4.27Å; L2-L4 HydrophobicContact CD2-CB 4.29Å; L2-L4 HydrophobicContact CG-CB 4.26Å; L2-L4 PolarHBondContact O-N 3.24Å; L2-L4 VanDerWaalsContact O-N 3.09Å
5	R	39.8	Very low	41.5	Very low	225 Å²	225	168.5 Å²	168.5	85%	0.849	83%	0.825	S	S	*	*			trans	-152.4	43.3	171.3	-75.7	-160.8	174.3	175.9	-2.8	112.9	L2	L2-R5 HydrophobicContact CD2-CG 4.42Å
6	L	44.6	Very low	41.3	Very low	169 Å²	169	162.6 Å²	162.6	89%	0.885	81%	0.812	S	S	*	*	S	Bend	trans	-110.7	15.3	176	-117.3	145.6	0	0	0	113.4
7	F	44.6	Very low	40.9	Very low	192 Å²	192	161.8 Å²	161.8	84%	0.842	81%	0.811	S	S	*	*	S	Bend	trans	-130.7	141.7	165.8	-84.5	-97.6	0	0	0	106.1
8	I	40.9	Very low	41	Very low	160 Å²	160	160.1 Å²	160.1	82%	0.821	82%	0.815	S	S	*	*	S	Bend	trans	106.9	112.8	-175.4	-52.4	155.2	0	0	0	111.6
9	F	40.2	Very low	41.7	Very low	185 Å²	185	160.1 Å²	160.1	81%	0.811	81%	0.812	S	S	*	*			trans	99.1	57.3	-180	-67.1	-77.3	0	0	0	119
10	T	36.9	Very low	43.1	Very low	137 Å²	137	156.8 Å²	156.8	84%	0.84	81%	0.81	S	S	*	*			trans	-152.3	137.8	146.9	38.9	0	0	0	0	107.4
11	P	35.6	Very low	44.9	Very low	95 Å²	95	155.6 Å²	155.6	62%	0.617	80%	0.795	S	S	*	*			cis	-127	103.5	15.8	34.2	-13.9	0	0	0	112.4	L13	P11-L13 PolarHBondContact O-N 3.23Å
12	F	44.4	Very low	47.2	Very low	185 Å²	185	152.5 Å²	152.5	81%	0.811	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	64.1	163.9	-125	-89.4	0	0	0	108.6	L15	F12-L15 HydrophobicContact CE1-CD1 4.46Å
13	L	41	Very low	49.8	Very low	165 Å²	165	150.5 Å²	150.5	86%	0.864	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.9	16.7	172.3	-118.1	126.8	0	0	0	113.7	P11	P11-L13 PolarHBondContact O-N 3.23Å
14	I	38.7	Very low	52.2	Low	133 Å²	133	139.9 Å²	139.9	68%	0.682	72%	0.716	S	S	*	*			trans	-132.6	63.8	169.4	-47.8	176.5	0	0	0	108.2	A16	I14-A16 HydrophobicContact CG2-CB 4.28Å; I14-A16 PolarHBondContact O-N 3.27Å
15	L	39.9	Very low	54.5	Low	163 Å²	163	136.6 Å²	136.6	85%	0.853	70%	0.696	S	S	*	*			trans	-92.5	78.7	152.8	-90	159.3	0	0	0	105.5	F12	F12-L15 HydrophobicContact CE1-CD1 4.46Å
16	A	38.2	Very low	57.3	Low	75 Å²	75	125.9 Å²	125.9	62%	0.62	66%	0.656	S	S	*	*			trans	-60.5	144.5	173.2	0	0	0	0	0	110	I14 C18	I14-A16 HydrophobicContact CG2-CB 4.28Å; I14-A16 PolarHBondContact O-N 3.27Å; A16-C18 PolarHBondContact O-N 3.37Å
17	N	34.2	Very low	59.8	Low	149 Å²	149	117.8 Å²	117.8	80%	0.797	61%	0.614	S	S	*	*			trans	-39.3	95.4	171	-90.5	-18.4	0	0	0	112.4	Q19	N17-Q19 PolarHBondContact O-N 3.45Å
18	C	43.7	Very low	62.4	Low	130 Å²	130	108.7 Å²	108.7	88%	0.878	57%	0.574	S	S	*	*			trans	-89.5	69	160.9	-156.9	0	0	0	0	107.3	A16 A20	A16-C18 PolarHBondContact O-N 3.37Å; C18-A20 PolarHBondContact O-N 3.5Å
19	Q	52.9	Low	65	Low	161 Å²	161	101 Å²	101	75%	0.752	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-64.9	125.3	166.4	-91.9	178.1	-43.9	0	0	107.6	N17 R21	N17-Q19 PolarHBondContact O-N 3.45Å; Q19-R21 PolarHBondContact O-N 3.09Å
20	A	69.6	Low	67.7	Low	94 Å²	94	92.2 Å²	92.2	78%	0.777	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-55.8	126.5	174.2	0	0	0	0	0	109.5	C18	C18-A20 PolarHBondContact O-N 3.5Å
21	R	82.6	Confident	70.4	Confident	131 Å²	131	85.7 Å²	85.7	49%	0.494	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-62.9	139.8	177.7	-71.6	-179.1	170.1	165.3	-0.6	109.9	Q19 D64 G65	Q19-R21 PolarHBondContact O-N 3.09Å; R21-D64 PolarHBondContact NE-O 3.46Å; R21-D64 PolarHBondContact NH2-O 3.23Å; R21-G65 CarbonylContact C-O 3.6Å; R21-G65 WeakPolarHBondContact CA-O 3.38Å
22	R	89.8	Confident	73.1	Confident	173 Å²	173	83 Å²	83	65%	0.653	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	139.8	174.8	-68	-178.8	179.5	-176	0.3	109.9	G65 F66 D67	R22-G65 PolarHBondContact N-O 3.3Å; R22-F66 HydrophobicContact CB-CD1 3.64Å; R22-F66 HydrophobicContact CB-CE1 3.67Å; R22-F66 HydrophobicContact CB-CG 4.46Å; R22-F66 HydrophobicContact CB-CZ 4.48Å; R22-F66 HydrophobicContact CG-CE1 4.47Å; R22-F66 CarbonylContact O-C 3.52Å; R22-F66 WeakPolarHBondContact O-CA 3.31Å; R22-F66 WeakPolarHBondContact O-CB 3.29Å; R22-F66 WeakPolarHBondContact O-CD1 3.37Å; R22-D67 PolarHBondContact O-N 3.28Å
23	T	93.8	Very high	75.2	Confident	77 Å²	77	79.6 Å²	79.6	47%	0.472	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130	-179.2	-51.7	0	0	0	0	111.1	D67 E69	T23-D67 CarbonylContact C-O 2.97Å; T23-D67 WeakPolarHBondContact CA-O 3.21Å; T23-E69 HydrophobicContact CG2-CB 3.55Å
24	I	96.1	Very high	77.4	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125	168.8	-56.1	-176.4	0	0	0	108.2	V26 L63 F66 D67 F68 E69 D96 Y363 I379	I24-V26 HydrophobicContact CG2-CG2 4.38Å; I24-L63 HydrophobicContact CD1-CD1 4.27Å; I24-F66 HydrophobicContact CD1-CB 4.32Å; I24-F66 HydrophobicContact CD1-CD1 3.87Å; I24-F66 HydrophobicContact CD1-CG 4.24Å; I24-F66 HydrophobicContact CG1-CB 4.43Å; I24-F66 HydrophobicContact CG1-CD1 3.72Å; I24-F66 HydrophobicContact CG1-CE1 4.46Å; I24-F66 HydrophobicContact CG1-CG 4.42Å; I24-D67 PolarHBondContact N-O 3.12Å; I24-F68 HydrophobicContact CB-CD1 3.98Å; I24-F68 HydrophobicContact CB-CE1 4.3Å; I24-F68 HydrophobicContact CD1-CE1 3.99Å; I24-F68 HydrophobicContact CG2-CD1 4.4Å; I24-F68 WeakPolarHBondContact O-CA 3.37Å; I24-E69 PolarHBondContact O-N 3.34Å; I24-D96 HydrophobicContact CG2-CB 4.03Å; I24-Y363 HydrophobicContact CG2-CE1 4.34Å; I24-Y363 WeakPolarHBondContact CG2-OH 3.4Å; I24-I379 HydrophobicContact CD1-CD1 4.36Å; I24-I379 HydrophobicContact CG1-CD1 3.94Å
25	K	97.4	Very high	79.5	Confident	69 Å²	69	72.4 Å²	72.4	30%	0.3	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.9	177.5	-70.4	-174.7	172.3	-166.3	0	110.6	E69 L71 V95 D96	K25-E69 WeakPolarHBondContact CA-O 3.27Å; K25-E69 VanDerWaalsContact CE-OE2 3.24Å; K25-E69 WeakPolarHBondContact CE-OE2 3.45Å; K25-E69 HydrophobicContact CG-CB 4.47Å; K25-L71 HydrophobicContact CD-CD1 4.39Å; K25-V95 HydrophobicContact CB-CB 4.47Å; K25-D96 PolarHBondContact N-OD2 2.95Å; K25-D96 PolarHBondContact O-N 3.49Å
26	V	97.9	Very high	81.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.2	-177.6	-179.8	0	0	0	0	109.3	I24 L28 F68 E69 F70 L71 V97 F99 F360	I24-V26 HydrophobicContact CG2-CG2 4.38Å; V26-L28 HydrophobicContact CG1-CD2 4.13Å; V26-L28 HydrophobicContact CG1-CG 4.39Å; V26-F68 HydrophobicContact CG2-CB 4.47Å; V26-F68 HydrophobicContact CG2-CD1 3.98Å; V26-E69 PolarHBondContact N-O 2.82Å; V26-F70 HydrophobicContact CB-CD1 3.69Å; V26-F70 HydrophobicContact CB-CE1 4.08Å; V26-F70 HydrophobicContact CG1-CD1 3.85Å; V26-F70 HydrophobicContact CG1-CE1 4.14Å; V26-F70 HydrophobicContact CG2-CD1 4.23Å; V26-F70 HydrophobicContact CG2-CE1 4.14Å; V26-L71 PolarHBondContact O-N 3.33Å; V26-V97 HydrophobicContact CB-CG1 4.25Å; V26-V97 HydrophobicContact CG1-CG1 4.16Å; V26-V97 HydrophobicContact CG2-CG1 3.92Å; V26-F99 HydrophobicContact CG1-CD2 3.6Å; V26-F99 HydrophobicContact CG1-CE2 3.71Å; V26-F360 HydrophobicContact CG2-CE2 4.02Å
27	G	97.8	Very high	83.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.2	172.1	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 3.36Å; G27-V97 PolarHBondContact N-O 2.9Å; G27-I98 CarbonylContact O-C 3.57Å; G27-I98 WeakPolarHBondContact O-CA 3.15Å; G27-F99 PolarHBondContact O-N 3.13Å
28	L	97.8	Very high	86.2	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132	178.7	-57	164	0	0	0	110.1	V26 F30 V50 F70 L71 W72 D73 F99 F335 L356	V26-L28 HydrophobicContact CG1-CD2 4.13Å; V26-L28 HydrophobicContact CG1-CG 4.39Å; L28-F30 HydrophobicContact CB-CD2 4.07Å; L28-F30 HydrophobicContact CB-CE2 3.39Å; L28-F30 HydrophobicContact CB-CZ 3.98Å; L28-F30 HydrophobicContact CD1-CE2 3.94Å; L28-F30 HydrophobicContact CD1-CZ 4.23Å; L28-F30 HydrophobicContact CD2-CZ 4.35Å; L28-F30 HydrophobicContact CG-CE2 4.15Å; L28-F30 HydrophobicContact CG-CZ 4.43Å; L28-V50 HydrophobicContact CD1-CG2 4.28Å; L28-V50 HydrophobicContact CD2-CG1 3.95Å; L28-F70 HydrophobicContact CD1-CB 4.01Å; L28-F70 HydrophobicContact CD1-CD1 4.18Å; L28-F70 HydrophobicContact CD1-CG 4.46Å; L28-L71 PolarHBondContact N-O 3.16Å; L28-W72 HydrophobicContact CB-CB 3.85Å; L28-W72 CarbonylContact O-C 3.55Å; L28-W72 WeakPolarHBondContact O-CA 3.27Å; L28-W72 WeakPolarHBondContact O-CB 3.41Å; L28-D73 PolarHBondContact O-N 2.81Å; L28-F99 WeakPolarHBondContact CA-O 3.46Å; L28-F99 HydrophobicContact CD2-CB 3.99Å; L28-F99 HydrophobicContact CD2-CD2 4.36Å; L28-F99 HydrophobicContact CD2-CG 4.49Å; L28-F335 HydrophobicContact CD1-CE1 4.28Å; L28-F335 HydrophobicContact CD1-CZ 4.05Å; L28-L356 HydrophobicContact CD2-CD1 4.41Å
29	L	97.2	Very high	88.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.6	174.8	-67.2	172.5	0	0	0	109.6	D73 K85 T86 L89 I98 F99 P101	L29-D73 HydrophobicContact CD2-CB 3.84Å; L29-K85 HydrophobicContact CD2-CB 3.93Å; L29-T86 WeakPolarHBondContact CD1-OG1 3.44Å; L29-L89 HydrophobicContact CD1-CD1 4.16Å; L29-L89 HydrophobicContact CD2-CD1 3.71Å; L29-L89 HydrophobicContact CD2-CG 4.46Å; L29-L89 HydrophobicContact CG-CD1 3.74Å; L29-I98 HydrophobicContact CD1-CG2 4.11Å; L29-I98 HydrophobicContact CG-CG2 4.46Å; L29-F99 PolarHBondContact N-O 3.44Å; L29-P101 HydrophobicContact CD1-CG 3.73Å
30	F	95.4	Very high	89.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	170.2	-175.7	-64.2	-77.3	0	0	0	113	L28 Y43 A47 W72 D73 F74 D75 W124 L356	L28-F30 HydrophobicContact CB-CD2 4.07Å; L28-F30 HydrophobicContact CB-CE2 3.39Å; L28-F30 HydrophobicContact CB-CZ 3.98Å; L28-F30 HydrophobicContact CD1-CE2 3.94Å; L28-F30 HydrophobicContact CD1-CZ 4.23Å; L28-F30 HydrophobicContact CD2-CZ 4.35Å; L28-F30 HydrophobicContact CG-CE2 4.15Å; L28-F30 HydrophobicContact CG-CZ 4.43Å; F30-Y43 HydrophobicContact CB-CD2 4.3Å; F30-Y43 AromaticContact CD2-CD2 3.72Å; F30-Y43 HydrophobicContact CD2-CD2 3.72Å; F30-Y43 HydrophobicContact CD2-CE2 4.41Å; F30-Y43 HydrophobicContact CE2-CD2 4.15Å; F30-Y43 HydrophobicContact CG-CD2 4.03Å; F30-A47 HydrophobicContact CE1-CB 4.21Å; F30-A47 HydrophobicContact CE2-CB 3.91Å; F30-A47 HydrophobicContact CZ-CB 3.71Å; F30-W72 HydrophobicContact CD2-CB 4.2Å; F30-W72 HydrophobicContact CE2-CB 4.23Å; F30-D73 PolarHBondContact N-O 3.49Å; F30-D73 VanDerWaalsContact N-O 3.16Å; F30-F74 HydrophobicContact CB-CD1 4.14Å; F30-F74 HydrophobicContact CB-CE1 4.39Å; F30-F74 CarbonylContact O-C 3.57Å; F30-F74 VanDerWaalsContact O-CA 3.22Å; F30-F74 WeakPolarHBondContact O-CA 3.48Å; F30-D75 PolarHBondContact N-OD1 2.8Å; F30-D75 PolarHBondContact O-N 3.24Å; F30-D75 VanDerWaalsContact O-N 3.1Å; F30-W124 AromaticContact CD1-CH2 3.93Å; F30-W124 HydrophobicContact CD1-CH2 3.93Å; F30-W124 AromaticContact CD1-CZ2 3.54Å; F30-W124 HydrophobicContact CD1-CZ2 3.54Å; F30-W124 AromaticContact CE1-CH2 3.79Å; F30-W124 HydrophobicContact CE1-CH2 3.79Å; F30-W124 AromaticContact CE1-CZ2 3.35Å; F30-W124 HydrophobicContact CE1-CZ2 3.35Å; F30-W124 HydrophobicContact CZ-CZ2 4.46Å; F30-L356 HydrophobicContact CE1-CD2 3.79Å; F30-L356 HydrophobicContact CZ-CD2 3.96Å
31	V	94	Very high	91	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-103.1	133.8	166.2	176.7	0	0	0	0	109.7	V34 L37 I41 Y43 C77	V31-V34 HydrophobicContact CG1-CB 3.53Å; V31-V34 HydrophobicContact CG1-CG2 3.69Å; V31-L37 HydrophobicContact CG1-CB 4.23Å; V31-L37 HydrophobicContact CG1-CD1 4.34Å; V31-L37 HydrophobicContact CG2-CD1 4.36Å; V31-I41 HydrophobicContact CG2-CD1 4Å; V31-Y43 WeakPolarHBondContact O-CB 3.23Å; V31-Y43 PolarHBondContact O-N 2.93Å; V31-C77 HydrophobicContact CG2-CB 4.35Å; V31-C77 WeakPolarHBondContact CG2-SG 3.31Å
32	Q	92.5	Very high	91.5	Very high	37 Å²	37	37.9 Å²	37.9	17%	0.173	21%	0.207	C	C	.	.	S	Bend	trans	-118	-39.4	179.1	-172.3	-174.2	33.9	0	0	112.7	R44 F74 E76	Q32-R44 PolarHBondContact O-NH1 2.95Å; Q32-F74 HydrophobicContact CB-CD1 3.66Å; Q32-F74 HydrophobicContact CB-CE1 3.85Å; Q32-F74 HydrophobicContact CB-CG 4.04Å; Q32-F74 HydrophobicContact CB-CZ 4.38Å; Q32-F74 HydrophobicContact CG-CE1 4.32Å; Q32-F74 HydrophobicContact CG-CZ 4.48Å; Q32-E76 PolarHBondContact N-OE2 3.37Å
33	N	88.9	Confident	91.7	Very high	115 Å²	115	30.2 Å²	30.2	62%	0.615	18%	0.177	S	C	*	.	S	Bend	trans	-115.3	13.5	-166.2	-60.7	-58.9	0	0	0	113.7	E76	N33-E76 PolarHBondContact N-OE1 2.87Å; N33-E76 PolarHBondContact N-OE2 3.48Å; N33-E76 PolarHBondContact ND2-OE1 3.19Å
34	V	86.8	Confident	91.8	Very high	43 Å²	43	27.6 Å²	27.6	26%	0.261	16%	0.159	S	C	.	.			trans	-104.3	94.4	175.1	-168.5	0	0	0	0	110	V31 S36 L37 Q38 E76	V31-V34 HydrophobicContact CG1-CB 3.53Å; V31-V34 HydrophobicContact CG1-CG2 3.69Å; V34-S36 VanDerWaalsContact C-N 3.28Å; V34-S36 PolarHBondContact O-N 2.95Å; V34-L37 HydrophobicContact CB-CB 4.37Å; V34-L37 HydrophobicContact CB-CD1 4.06Å; V34-L37 HydrophobicContact CB-CG 4.23Å; V34-L37 HydrophobicContact CG1-CB 4.33Å; V34-L37 HydrophobicContact CG1-CD1 3.73Å; V34-L37 HydrophobicContact CG1-CG 3.74Å; V34-L37 PolarHBondContact O-N 3.31Å; V34-Q38 PolarHBondContact O-N 2.94Å; V34-E76 HydrophobicContact CG2-CB 4.39Å
35	S	82.1	Confident	91.6	Very high	104 Å²	104	27.8 Å²	27.8	73%	0.727	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-56.7	-35.9	-172.8	57.2	0	0	0	0	114.2	L37 Q38	S35-L37 PolarHBondContact O-N 3.41Å; S35-Q38 WeakPolarHBondContact O-CB 3.34Å; S35-Q38 PolarHBondContact O-N 3Å
36	S	79.9	Confident	91.5	Very high	95 Å²	95	24.5 Å²	24.5	66%	0.664	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-65.5	-20.4	178	56	0	0	0	0	113.7	V34	V34-S36 VanDerWaalsContact C-N 3.28Å; V34-S36 PolarHBondContact O-N 2.95Å
37	L	86.9	Confident	91.5	Very high	32 Å²	32	24.5 Å²	24.5	17%	0.168	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-101.5	-9.1	-177.7	-57.5	-177.9	0	0	0	112.7	V31 V34 S35 V39 G40 I41 C77 L126	V31-L37 HydrophobicContact CG1-CB 4.23Å; V31-L37 HydrophobicContact CG1-CD1 4.34Å; V31-L37 HydrophobicContact CG2-CD1 4.36Å; V34-L37 HydrophobicContact CB-CB 4.37Å; V34-L37 HydrophobicContact CB-CD1 4.06Å; V34-L37 HydrophobicContact CB-CG 4.23Å; V34-L37 HydrophobicContact CG1-CB 4.33Å; V34-L37 HydrophobicContact CG1-CD1 3.73Å; V34-L37 HydrophobicContact CG1-CG 3.74Å; V34-L37 PolarHBondContact O-N 3.31Å; S35-L37 PolarHBondContact O-N 3.41Å; L37-V39 VanDerWaalsContact C-N 3.3Å; L37-V39 PolarHBondContact O-N 3.01Å; L37-G40 PolarHBondContact O-N 2.78Å; L37-I41 HydrophobicContact CB-CD1 4.08Å; L37-I41 HydrophobicContact CB-CG1 3.9Å; L37-I41 HydrophobicContact CD1-CD1 4.17Å; L37-I41 WeakPolarHBondContact O-CG1 3.42Å; L37-I41 PolarHBondContact O-N 3.37Å; L37-C77 HydrophobicContact CD1-CB 4.04Å; L37-L126 HydrophobicContact CD2-CD1 3.68Å
38	Q	86.6	Confident	91.4	Very high	13 Å²	13	24.5 Å²	24.5	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-54.7	-43	-176.3	-175.8	65	29.1	0	0	112.8	V34 S35 G40 G42 T45 V272 Y346	V34-Q38 PolarHBondContact O-N 2.94Å; S35-Q38 WeakPolarHBondContact O-CB 3.34Å; S35-Q38 PolarHBondContact O-N 3Å; Q38-G40 VanDerWaalsContact C-N 3.3Å; Q38-G40 PolarHBondContact O-N 3.09Å; Q38-G42 PolarHBondContact O-N 3.4Å; Q38-T45 PolarHBondContact O-OG1 2.78Å; Q38-V272 HydrophobicContact CG-CG1 4.44Å; Q38-Y346 HydrophobicContact CG-CE1 4.23Å; Q38-Y346 VanDerWaalsContact NE2-CD1 3.25Å
39	V	87.4	Confident	91.4	Very high	35 Å²	35	24.5 Å²	24.5	21%	0.212	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-33.8	-179.2	-175	0	0	0	0	111.3	L37 E270 V272 A350 K351	L37-V39 VanDerWaalsContact C-N 3.3Å; L37-V39 PolarHBondContact O-N 3.01Å; V39-E270 HydrophobicContact CG1-CB 4.05Å; V39-V272 HydrophobicContact CG2-CG2 4.11Å; V39-A350 WeakPolarHBondContact O-CA 3.45Å; V39-K351 VanDerWaalsContact CG1-CE 3.48Å; V39-K351 HydrophobicContact CG1-CG 4.43Å; V39-K351 WeakPolarHBondContact O-CG 3.44Å; V39-K351 PolarHBondContact O-N 3.31Å
40	G	88.1	Confident	91.4	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-85.7	-51.4	-176.2	0	0	0	0	0	113.8	L37 Q38 A350 K351 Y352	L37-G40 PolarHBondContact O-N 2.78Å; Q38-G40 VanDerWaalsContact C-N 3.3Å; Q38-G40 PolarHBondContact O-N 3.09Å; G40-A350 WeakPolarHBondContact O-CB 3.37Å; G40-K351 PolarHBondContact O-N 3.04Å; G40-Y352 WeakPolarHBondContact O-CD2 3.05Å; G40-Y352 PolarHBondContact O-N 2.98Å; G40-Y352 VanDerWaalsContact O-N 3.11Å
41	I	91.7	Very high	91.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-143.5	15.6	-161.2	53.7	170.8	0	0	0	113.4	V31 L37 T102 W124 L126 Y352	V31-I41 HydrophobicContact CG2-CD1 4Å; L37-I41 HydrophobicContact CB-CD1 4.08Å; L37-I41 HydrophobicContact CB-CG1 3.9Å; L37-I41 HydrophobicContact CD1-CD1 4.17Å; L37-I41 WeakPolarHBondContact O-CG1 3.42Å; L37-I41 PolarHBondContact O-N 3.37Å; I41-T102 HydrophobicContact CB-CG2 4.22Å; I41-T102 WeakPolarHBondContact CD1-OG1 3.49Å; I41-T102 HydrophobicContact CG2-CG2 4.43Å; I41-W124 HydrophobicContact CG2-CZ3 4.27Å; I41-L126 HydrophobicContact CD1-CD1 3.87Å; I41-L126 HydrophobicContact CD1-CG 4.21Å; I41-L126 HydrophobicContact CG1-CD1 4.41Å; I41-L126 HydrophobicContact CG2-CG 4.31Å; I41-Y352 HydrophobicContact CG2-CD2 3.78Å; I41-Y352 HydrophobicContact CG2-CG 4.36Å
42	G	92.9	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-63.7	137.7	-176.4	0	0	0	0	0	113	Q38 R44 T45 S46	Q38-G42 PolarHBondContact O-N 3.4Å; G42-R44 VanDerWaalsContact C-N 3.31Å; G42-R44 PolarHBondContact O-N 3.13Å; G42-T45 PolarHBondContact O-N 3.4Å; G42-T45 PolarHBondContact O-OG1 2.61Å; G42-S46 WeakPolarHBondContact O-CB 3.25Å; G42-S46 PolarHBondContact O-N 2.76Å; G42-S46 PolarHBondContact O-OG 2.95Å
43	Y	95.5	Very high	91.8	Very high	11 Å²	11	24.6 Å²	24.6	4%	0.043	15%	0.149	C	C	.	.	H	α-helix	trans	-49.1	-51.2	177.2	165	-107.6	0	0	0	112.3	F30 V31 T45 S46 A47 W72 F74 M330 F335	F30-Y43 HydrophobicContact CB-CD2 4.3Å; F30-Y43 AromaticContact CD2-CD2 3.72Å; F30-Y43 HydrophobicContact CD2-CD2 3.72Å; F30-Y43 HydrophobicContact CD2-CE2 4.41Å; F30-Y43 HydrophobicContact CE2-CD2 4.15Å; F30-Y43 HydrophobicContact CG-CD2 4.03Å; V31-Y43 WeakPolarHBondContact O-CB 3.23Å; V31-Y43 PolarHBondContact O-N 2.93Å; Y43-T45 PolarHBondContact O-N 2.88Å; Y43-S46 PolarHBondContact O-N 2.93Å; Y43-A47 HydrophobicContact CD2-CB 3.61Å; Y43-A47 HydrophobicContact CE2-CB 3.59Å; Y43-A47 WeakPolarHBondContact O-CB 3.37Å; Y43-A47 PolarHBondContact O-N 3.36Å; Y43-W72 AromaticContact CE2-CD1 3.84Å; Y43-W72 HydrophobicContact CE2-CG 4.35Å; Y43-W72 AromaticContact CE2-NE1 3.78Å; Y43-W72 AromaticContact CZ-NE1 3.87Å; Y43-F74 HydrophobicContact CD1-CE1 4.07Å; Y43-F74 HydrophobicContact CD1-CZ 4.29Å; Y43-F74 AromaticContact CD2-CE1 3.76Å; Y43-F74 HydrophobicContact CD2-CE1 3.76Å; Y43-F74 HydrophobicContact CD2-CZ 4.35Å; Y43-F74 HydrophobicContact CE1-CZ 4.42Å; Y43-F74 HydrophobicContact CE2-CE1 4.28Å; Y43-F74 HydrophobicContact CE2-CZ 4.45Å; Y43-F74 AromaticContact CG-CE1 3.64Å; Y43-F74 HydrophobicContact CG-CE1 3.64Å; Y43-F74 HydrophobicContact CG-CZ 4.27Å; Y43-M330 HydrophobicContact CE1-CE 4.29Å; Y43-F335 AromaticContact CE2-CD1 3.89Å; Y43-F335 HydrophobicContact CE2-CD1 3.89Å; Y43-F335 HydrophobicContact CE2-CE1 4.2Å; Y43-F335 WeakPolarHBondContact OH-CD1 3.5Å
44	R	94.2	Very high	92.2	Very high	23 Å²	23	20.5 Å²	20.5	9%	0.087	13%	0.125	C	C	.	.	H	α-helix	trans	-61.9	-17	-173.5	-63.7	178.2	177.9	82.4	2.6	114.3	Q32 G42 D340 Y346	Q32-R44 PolarHBondContact O-NH1 2.95Å; G42-R44 VanDerWaalsContact C-N 3.31Å; G42-R44 PolarHBondContact O-N 3.13Å; R44-D340 WeakPolarHBondContact CD-O 3.41Å; R44-D340 PolarHBondContact NE-O 3.04Å; R44-Y346 HydrophobicContact CB-CD1 3.89Å; R44-Y346 HydrophobicContact CB-CE1 4.24Å; R44-Y346 HydrophobicContact CB-CG 4.13Å; R44-Y346 VanDerWaalsContact CD-CE1 3.43Å; R44-Y346 VanDerWaalsContact CD-CE2 3.5Å; R44-Y346 HydrophobicContact CG-CE1 4.45Å
45	T	93.6	Very high	92.5	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	13%	0.13	C	C	.	.	H	α-helix	trans	-123.6	5.2	-174.1	49.8	0	0	0	0	112.7	Q38 G42 Y43 I327 Y346 S348 V349 A350	Q38-T45 PolarHBondContact O-OG1 2.78Å; G42-T45 PolarHBondContact O-N 3.4Å; G42-T45 PolarHBondContact O-OG1 2.61Å; Y43-T45 PolarHBondContact O-N 2.88Å; T45-I327 HydrophobicContact CG2-CD1 4.37Å; T45-Y346 HydrophobicContact CG2-CD1 4.25Å; T45-S348 WeakPolarHBondContact CB-O 3.5Å; T45-S348 WeakPolarHBondContact CG2-O 3.24Å; T45-V349 WeakPolarHBondContact O-CG2 3.33Å; T45-A350 PolarHBondContact O-N 3.48Å; T45-A350 WeakPolarHBondContact OG1-CB 3.45Å
46	S	95	Very high	93.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-134.1	-28.8	-177.5	60.8	0	0	0	0	114.5	G42 Y43 A48 A49	G42-S46 WeakPolarHBondContact O-CB 3.25Å; G42-S46 PolarHBondContact O-N 2.76Å; G42-S46 PolarHBondContact O-OG 2.95Å; Y43-S46 PolarHBondContact O-N 2.93Å; S46-A48 VanDerWaalsContact C-N 3.34Å; S46-A48 PolarHBondContact O-N 3.47Å; S46-A49 WeakPolarHBondContact O-CB 3.33Å; S46-A49 PolarHBondContact O-N 3.32Å
47	A	96.4	Very high	93.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-40.7	-167.6	0	0	0	0	0	113.4	F30 Y43 A49 V50 M330 F335	F30-A47 HydrophobicContact CE1-CB 4.21Å; F30-A47 HydrophobicContact CE2-CB 3.91Å; F30-A47 HydrophobicContact CZ-CB 3.71Å; Y43-A47 HydrophobicContact CD2-CB 3.61Å; Y43-A47 HydrophobicContact CE2-CB 3.59Å; Y43-A47 WeakPolarHBondContact O-CB 3.37Å; Y43-A47 PolarHBondContact O-N 3.36Å; A47-A49 PolarHBondContact O-N 3.02Å; A47-A49 VanDerWaalsContact O-N 3.09Å; A47-V50 WeakPolarHBondContact O-CG2 3.45Å; A47-V50 PolarHBondContact O-N 3.21Å; A47-M330 HydrophobicContact CB-CE 4.16Å; A47-M330 HydrophobicContact CB-SD 3.96Å; A47-F335 HydrophobicContact CB-CD1 4.03Å; A47-F335 HydrophobicContact CB-CD2 4.37Å; A47-F335 HydrophobicContact CB-CE1 3.69Å; A47-F335 HydrophobicContact CB-CE2 4.05Å; A47-F335 HydrophobicContact CB-CG 4.36Å; A47-F335 HydrophobicContact CB-CZ 3.71Å; A47-F335 WeakPolarHBondContact O-CE2 2.9Å; A47-F335 WeakPolarHBondContact O-CZ 3.48Å
48	A	97	Very high	94.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-5.7	178.2	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 3.47Å; A48-V50 PolarHBondContact O-N 3.07Å; A48-L51 HydrophobicContact CB-CD1 4.41Å; A48-L51 WeakPolarHBondContact O-CB 3.29Å; A48-L51 PolarHBondContact O-N 3.21Å; A48-V52 PolarHBondContact O-N 3.45Å; A48-V52 VanDerWaalsContact O-N 3.09Å; A48-V326 HydrophobicContact CB-CG1 4.19Å; A48-V326 WeakPolarHBondContact CB-O 3.43Å; A48-M329 HydrophobicContact CB-CB 4.04Å; A48-M330 HydrophobicContact CB-CG 3.94Å; A48-M330 HydrophobicContact CB-SD 3.52Å; A48-M330 VanDerWaalsContact CB-SD 3.52Å; A48-M330 PolarHBondContact N-SD 3.47Å; A48-M330 VanDerWaalsContact N-SD 3.38Å; A48-F335 HydrophobicContact CB-CD2 4.43Å
49	A	96.9	Very high	94.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55	-34.1	170.9	0	0	0	0	0	112.5	S46 A47 L51 T53 F322 V326 A353 L356 A357	S46-A49 WeakPolarHBondContact O-CB 3.33Å; S46-A49 PolarHBondContact O-N 3.32Å; A47-A49 PolarHBondContact O-N 3.02Å; A47-A49 VanDerWaalsContact O-N 3.09Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 3.06Å; A49-T53 WeakPolarHBondContact O-CB 3.37Å; A49-T53 PolarHBondContact O-N 3.34Å; A49-T53 PolarHBondContact O-OG1 3.22Å; A49-F322 HydrophobicContact CB-CE2 4.21Å; A49-F322 HydrophobicContact CB-CZ 3.87Å; A49-V326 HydrophobicContact CB-CG2 4.16Å; A49-A353 HydrophobicContact CB-CB 4.36Å; A49-A353 WeakPolarHBondContact CB-O 3.24Å; A49-L356 HydrophobicContact CB-CB 4.46Å; A49-L356 HydrophobicContact CB-CD2 4.18Å; A49-L356 HydrophobicContact CB-CG 4.32Å; A49-A357 HydrophobicContact CB-CB 4.29Å
50	V	97.5	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.9	-27.8	175.8	-54	0	0	0	0	112.7	L28 A47 A48 K54 F70 F335 L356 F360	L28-V50 HydrophobicContact CD1-CG2 4.28Å; L28-V50 HydrophobicContact CD2-CG1 3.95Å; A47-V50 WeakPolarHBondContact O-CG2 3.45Å; A47-V50 PolarHBondContact O-N 3.21Å; A48-V50 PolarHBondContact O-N 3.07Å; V50-K54 VanDerWaalsContact O-CB 3.25Å; V50-K54 WeakPolarHBondContact O-CB 3.48Å; V50-K54 PolarHBondContact O-N 3.38Å; V50-F70 HydrophobicContact CB-CD1 4.19Å; V50-F70 HydrophobicContact CB-CE1 3.67Å; V50-F70 HydrophobicContact CB-CZ 4.02Å; V50-F70 HydrophobicContact CG2-CD1 3.63Å; V50-F70 HydrophobicContact CG2-CD2 4.26Å; V50-F70 HydrophobicContact CG2-CE1 3.52Å; V50-F70 HydrophobicContact CG2-CE2 4.15Å; V50-F70 HydrophobicContact CG2-CG 4.01Å; V50-F70 HydrophobicContact CG2-CZ 3.79Å; V50-F335 HydrophobicContact CG2-CE2 4.21Å; V50-F335 HydrophobicContact CG2-CZ 4.05Å; V50-L356 HydrophobicContact CG1-CD1 3.95Å; V50-L356 HydrophobicContact CG1-CD2 4.01Å; V50-L356 HydrophobicContact CG1-CG 3.88Å; V50-F360 HydrophobicContact CB-CD1 3.94Å; V50-F360 HydrophobicContact CB-CE1 4.21Å; V50-F360 HydrophobicContact CG1-CD1 4.34Å; V50-F360 WeakPolarHBondContact O-CE1 3.33Å
51	L	97.5	Very high	95.2	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-74.9	-43.1	176.3	-59.7	-179.9	0	0	0	111.3	A48 A49 T53 K54 N55 F70 M329 D332 F335	A48-L51 HydrophobicContact CB-CD1 4.41Å; A48-L51 WeakPolarHBondContact O-CB 3.29Å; A48-L51 PolarHBondContact O-N 3.21Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 3.06Å; L51-T53 VanDerWaalsContact C-N 3.25Å; L51-T53 PolarHBondContact O-N 3.16Å; L51-K54 WeakPolarHBondContact O-CB 3.43Å; L51-K54 PolarHBondContact O-N 2.98Å; L51-N55 PolarHBondContact O-N 3.24Å; L51-N55 VanDerWaalsContact O-N 3.12Å; L51-F70 HydrophobicContact CD2-CD2 3.92Å; L51-F70 HydrophobicContact CD2-CE2 3.66Å; L51-M329 HydrophobicContact CB-CE 3.57Å; L51-M329 HydrophobicContact CB-SD 4.37Å; L51-M329 HydrophobicContact CD1-CB 4.45Å; L51-D332 HydrophobicContact CD1-CB 4.49Å; L51-F335 HydrophobicContact CD1-CD2 3.73Å; L51-F335 HydrophobicContact CD1-CE2 3.85Å; L51-F335 HydrophobicContact CD2-CE2 4.45Å; L51-F335 HydrophobicContact CG-CD2 4.28Å; L51-F335 HydrophobicContact CG-CE2 3.87Å
52	V	96.5	Very high	95.3	Very high	22 Å²	22	33.6 Å²	33.6	13%	0.133	16%	0.157	C	C	.	.	H	α-helix	trans	-57.9	-44.8	173.3	-178.1	0	0	0	0	109.8	A48 N55 K56 F322 N325 V326 M329	A48-V52 PolarHBondContact O-N 3.45Å; A48-V52 VanDerWaalsContact O-N 3.09Å; V52-N55 WeakPolarHBondContact O-CB 3.47Å; V52-N55 PolarHBondContact O-N 3.01Å; V52-K56 PolarHBondContact O-N 3.28Å; V52-F322 HydrophobicContact CB-CD2 4.29Å; V52-F322 HydrophobicContact CB-CE2 4.31Å; V52-F322 HydrophobicContact CG1-CD2 3.77Å; V52-F322 HydrophobicContact CG1-CE2 4.27Å; V52-N325 HydrophobicContact CG1-CB 4.36Å; V52-N325 HydrophobicContact CG2-CB 3.74Å; V52-V326 HydrophobicContact CG2-CG2 3.89Å; V52-M329 HydrophobicContact CG2-SD 3.68Å
53	T	96.3	Very high	95.2	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.043	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-36.9	178.6	-54.3	0	0	0	0	112.6	A49 L51 N55 K56 I57 A357 F360 Y361	A49-T53 WeakPolarHBondContact O-CB 3.37Å; A49-T53 PolarHBondContact O-N 3.34Å; A49-T53 PolarHBondContact O-OG1 3.22Å; L51-T53 VanDerWaalsContact C-N 3.25Å; L51-T53 PolarHBondContact O-N 3.16Å; T53-N55 VanDerWaalsContact C-N 3.25Å; T53-N55 PolarHBondContact O-N 3.03Å; T53-K56 WeakPolarHBondContact O-CB 3.05Å; T53-K56 PolarHBondContact O-N 3.18Å; T53-K56 VanDerWaalsContact O-N 3.12Å; T53-I57 HydrophobicContact CG2-CD1 4.02Å; T53-I57 HydrophobicContact CG2-CG1 4.37Å; T53-I57 WeakPolarHBondContact O-CG1 3.39Å; T53-I57 PolarHBondContact O-N 3.44Å; T53-A357 WeakPolarHBondContact CG2-O 3.48Å; T53-A357 VanDerWaalsContact OG1-CA 3.27Å; T53-A357 WeakPolarHBondContact OG1-CA 3.21Å; T53-A357 WeakPolarHBondContact OG1-CB 3.24Å; T53-F360 HydrophobicContact CG2-CB 4.31Å; T53-F360 HydrophobicContact CG2-CD1 3.69Å; T53-F360 HydrophobicContact CG2-CE1 4.45Å; T53-F360 HydrophobicContact CG2-CG 4.36Å; T53-Y361 HydrophobicContact CG2-CD2 4.43Å
54	K	96.5	Very high	94.9	Very high	29 Å²	29	37.2 Å²	37.2	13%	0.126	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-38.7	173.6	175.7	174.5	176.8	171.1	0	111.7	V50 L51 R58 D67 F68 F70 F360	V50-K54 VanDerWaalsContact O-CB 3.25Å; V50-K54 WeakPolarHBondContact O-CB 3.48Å; V50-K54 PolarHBondContact O-N 3.38Å; L51-K54 WeakPolarHBondContact O-CB 3.43Å; L51-K54 PolarHBondContact O-N 2.98Å; K54-R58 WeakPolarHBondContact O-CG 3.23Å; K54-R58 PolarHBondContact O-N 2.88Å; K54-D67 WeakPolarHBondContact CE-OD1 3.33Å; K54-D67 IonicContact NZ-OD1 2.68Å; K54-D67 PolarHBondContact NZ-OD1 3.22Å; K54-F68 HydrophobicContact CD-CB 4.45Å; K54-F68 HydrophobicContact CD-CD2 4.29Å; K54-F68 HydrophobicContact CG-CD2 4.14Å; K54-F68 PolarHBondContact NZ-O 3.1Å; K54-F68 VanDerWaalsContact NZ-O 3.15Å; K54-F70 HydrophobicContact CB-CZ 4.38Å; K54-F70 HydrophobicContact CD-CE2 3.78Å; K54-F70 HydrophobicContact CD-CZ 4.08Å; K54-F360 HydrophobicContact CB-CE1 4.32Å
55	N	95	Very high	94.7	Very high	67 Å²	67	38.2 Å²	38.2	36%	0.358	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-45.9	174.2	-68.8	-18.1	0	0	0	111	L51 V52 T53 I57 R58 E59	L51-N55 PolarHBondContact O-N 3.24Å; L51-N55 VanDerWaalsContact O-N 3.12Å; V52-N55 WeakPolarHBondContact O-CB 3.47Å; V52-N55 PolarHBondContact O-N 3.01Å; T53-N55 VanDerWaalsContact C-N 3.25Å; T53-N55 PolarHBondContact O-N 3.03Å; N55-I57 PolarHBondContact O-N 3.13Å; N55-R58 WeakPolarHBondContact O-CB 3.33Å; N55-R58 PolarHBondContact O-N 3.27Å; N55-R58 VanDerWaalsContact O-N 3.12Å; N55-E59 WeakPolarHBondContact O-CG 3.34Å; N55-E59 PolarHBondContact O-N 2.85Å
56	K	93.8	Very high	94.6	Very high	66 Å²	66	39.6 Å²	39.6	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-57.3	-45.7	174.8	178.5	170.1	173.9	50	0	112.8	V52 T53 R58 E59 D60 Y361	V52-K56 PolarHBondContact O-N 3.28Å; T53-K56 WeakPolarHBondContact O-CB 3.05Å; T53-K56 PolarHBondContact O-N 3.18Å; T53-K56 VanDerWaalsContact O-N 3.12Å; K56-R58 PolarHBondContact O-N 3.41Å; K56-E59 PolarHBondContact O-N 3.36Å; K56-E59 VanDerWaalsContact O-N 3.13Å; K56-D60 WeakPolarHBondContact CE-OD2 3.28Å; K56-D60 VanDerWaalsContact CG-OD2 3.29Å; K56-D60 WeakPolarHBondContact CG-OD2 3.46Å; K56-D60 IonicContact NZ-OD1 2.75Å; K56-D60 IonicContact NZ-OD2 3.58Å; K56-D60 PolarHBondContact NZ-OD2 2.75Å; K56-D60 WeakPolarHBondContact O-CB 3.31Å; K56-D60 PolarHBondContact O-N 2.64Å; K56-Y361 HydrophobicContact CD-CD2 4.27Å; K56-Y361 HydrophobicContact CD-CE2 4.25Å; K56-Y361 HydrophobicContact CG-CD2 4.28Å; K56-Y361 HydrophobicContact CG-CE2 4.07Å
57	I	96	Very high	94.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-40.6	176.4	-72.6	164.1	0	0	0	111.3	T53 N55 H61 V62 F68 F360 Y361 A364	T53-I57 HydrophobicContact CG2-CD1 4.02Å; T53-I57 HydrophobicContact CG2-CG1 4.37Å; T53-I57 WeakPolarHBondContact O-CG1 3.39Å; T53-I57 PolarHBondContact O-N 3.44Å; N55-I57 PolarHBondContact O-N 3.13Å; I57-H61 PolarHBondContact O-N 3.28Å; I57-V62 HydrophobicContact CG2-CB 4.07Å; I57-V62 HydrophobicContact CG2-CG1 4.4Å; I57-V62 WeakPolarHBondContact CG2-O 3.48Å; I57-V62 PolarHBondContact O-N 2.67Å; I57-F68 HydrophobicContact CD1-CE2 4.4Å; I57-F68 HydrophobicContact CD1-CZ 4.37Å; I57-F68 HydrophobicContact CG2-CE2 4.12Å; I57-F68 HydrophobicContact CG2-CZ 4.39Å; I57-F360 HydrophobicContact CD1-CD1 4.18Å; I57-F360 HydrophobicContact CD1-CE1 3.85Å; I57-F360 HydrophobicContact CD1-CZ 4.14Å; I57-Y361 HydrophobicContact CG1-CD2 3.94Å; I57-Y361 HydrophobicContact CG1-CE2 4.42Å; 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 4.35Å
58	R	94.5	Very high	94.6	Very high	101 Å²	101	42.5 Å²	42.5	38%	0.381	22%	0.215	S	C	.	.	H	α-helix	trans	-71.2	-39.6	177.3	-71.1	172.7	172.5	-174.8	-3.1	112.5	K54 N55 K56 D60 H61 D67	K54-R58 WeakPolarHBondContact O-CG 3.23Å; K54-R58 PolarHBondContact O-N 2.88Å; N55-R58 WeakPolarHBondContact O-CB 3.33Å; N55-R58 PolarHBondContact O-N 3.27Å; N55-R58 VanDerWaalsContact O-N 3.12Å; K56-R58 PolarHBondContact O-N 3.41Å; R58-D60 VanDerWaalsContact C-N 3.33Å; R58-H61 PolarHBondContact O-N 2.87Å; R58-D67 IonicContact CZ-OD1 2.78Å; R58-D67 IonicContact NH2-OD1 3.83Å; R58-D67 PolarHBondContact NH2-OD1 3.15Å; R58-D67 IonicContact NH2-OD2 3.8Å; R58-D67 PolarHBondContact NH2-OD2 2.67Å
59	E	94.2	Very high	94.6	Very high	147 Å²	147	46.3 Å²	46.3	69%	0.687	23%	0.233	S	C	*	.	H	α-helix	trans	-65.3	-37.9	175.9	-71.9	172.5	-176.5	0	0	111.6	N55 K56 H61	N55-E59 WeakPolarHBondContact O-CG 3.34Å; N55-E59 PolarHBondContact O-N 2.85Å; K56-E59 PolarHBondContact O-N 3.36Å; K56-E59 VanDerWaalsContact O-N 3.13Å; E59-H61 VanDerWaalsContact C-N 3.27Å; E59-H61 PolarHBondContact O-N 3.43Å
60	D	94.6	Very high	94.6	Very high	67 Å²	67	46.7 Å²	46.7	36%	0.358	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	4.1	-179.8	-66.4	-23.3	0	0	0	113.4	K56 R58 V62 Y361	K56-D60 WeakPolarHBondContact CE-OD2 3.28Å; K56-D60 VanDerWaalsContact CG-OD2 3.29Å; K56-D60 WeakPolarHBondContact CG-OD2 3.46Å; K56-D60 IonicContact NZ-OD1 2.75Å; K56-D60 IonicContact NZ-OD2 3.58Å; K56-D60 PolarHBondContact NZ-OD2 2.75Å; K56-D60 WeakPolarHBondContact O-CB 3.31Å; K56-D60 PolarHBondContact O-N 2.64Å; R58-D60 VanDerWaalsContact C-N 3.33Å; D60-V62 VanDerWaalsContact C-N 3.28Å; D60-V62 HydrophobicContact CB-CG2 4.11Å; D60-V62 PolarHBondContact O-N 3.42Å; D60-Y361 WeakPolarHBondContact OD2-CE2 3.47Å; D60-Y361 PolarHBondContact OD2-OH 2.96Å
61	H	94.2	Very high	94.6	Very high	133 Å²	133	48.4 Å²	48.4	62%	0.616	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.4	-178.6	-65.4	-68	0	0	0	114.4	I57 R58 E59 D64	I57-H61 PolarHBondContact O-N 3.28Å; R58-H61 PolarHBondContact O-N 2.87Å; E59-H61 VanDerWaalsContact C-N 3.27Å; E59-H61 PolarHBondContact O-N 3.43Å; H61-D64 IonicContact ND1-OD1 3.75Å; H61-D64 IonicContact ND1-OD2 3.81Å
62	V	92.9	Very high	94.5	Very high	16 Å²	16	50.9 Å²	50.9	10%	0.097	25%	0.252	C	S	.	.			trans	-96.4	125.9	176.9	178.6	0	0	0	0	108.7	I57 D60 A364 V365 N368	I57-V62 HydrophobicContact CG2-CB 4.07Å; I57-V62 HydrophobicContact CG2-CG1 4.4Å; I57-V62 WeakPolarHBondContact CG2-O 3.48Å; I57-V62 PolarHBondContact O-N 2.67Å; D60-V62 VanDerWaalsContact C-N 3.28Å; D60-V62 HydrophobicContact CB-CG2 4.11Å; D60-V62 PolarHBondContact O-N 3.42Å; V62-A364 HydrophobicContact CG1-CB 4.2Å; V62-V365 HydrophobicContact CG1-CG2 4.31Å; V62-N368 HydrophobicContact CG1-CB 3.74Å
63	L	92.2	Very high	94.5	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.037	25%	0.251	C	S	.	.	S	Bend	trans	59.2	41.2	-178.3	-61.7	173.8	0	0	0	115.1	I24 G65 F66 F68 A364 V367 N368 L371	I24-L63 HydrophobicContact CD1-CD1 4.27Å; L63-G65 PolarHBondContact O-N 2.82Å; L63-F66 HydrophobicContact CB-CB 4.25Å; L63-F66 HydrophobicContact CB-CD2 4.27Å; L63-F66 HydrophobicContact CD2-CD2 4.07Å; L63-F66 HydrophobicContact CD2-CE2 4.4Å; L63-F66 PolarHBondContact O-N 3.22Å; L63-F68 HydrophobicContact CD1-CE1 4.39Å; L63-F68 HydrophobicContact CD1-CZ 3.93Å; L63-A364 HydrophobicContact CD1-CB 4.03Å; L63-A364 WeakPolarHBondContact CD1-O 3.45Å; L63-V367 HydrophobicContact CD1-CB 4.24Å; L63-V367 HydrophobicContact CD1-CG1 4.26Å; L63-V367 HydrophobicContact CD2-CB 4.38Å; L63-V367 HydrophobicContact CD2-CG1 3.94Å; L63-N368 HydrophobicContact CD2-CB 3.85Å; L63-N368 HydrophobicContact CG-CB 3.98Å; L63-N368 PolarHBondContact N-OD1 3.42Å; L63-L371 HydrophobicContact CD2-CD1 3.95Å
64	D	88.9	Confident	94.5	Very high	81 Å²	81	52.6 Å²	52.6	43%	0.433	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.4	-178.5	-78.3	-29.7	0	0	0	115.5	R21 H61 F66	R21-D64 PolarHBondContact NE-O 3.46Å; R21-D64 PolarHBondContact NH2-O 3.23Å; H61-D64 IonicContact ND1-OD1 3.75Å; H61-D64 IonicContact ND1-OD2 3.81Å; D64-F66 VanDerWaalsContact C-N 3.33Å
65	G	89	Confident	94.4	Very high	43 Å²	43	51.2 Å²	51.2	44%	0.443	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.6	177.8	0	0	0	0	0	115.2	R21 R22 L63	R21-G65 CarbonylContact C-O 3.6Å; R21-G65 WeakPolarHBondContact CA-O 3.38Å; R22-G65 PolarHBondContact N-O 3.3Å; L63-G65 PolarHBondContact O-N 2.82Å
66	F	92.9	Very high	94.3	Very high	32 Å²	32	49.7 Å²	49.7	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157.6	-175.2	-65.2	-100.8	0	0	0	112.5	R22 I24 L63 D64 L371	R22-F66 HydrophobicContact CB-CD1 3.64Å; R22-F66 HydrophobicContact CB-CE1 3.67Å; R22-F66 HydrophobicContact CB-CG 4.46Å; R22-F66 HydrophobicContact CB-CZ 4.48Å; R22-F66 HydrophobicContact CG-CE1 4.47Å; R22-F66 CarbonylContact O-C 3.52Å; R22-F66 WeakPolarHBondContact O-CA 3.31Å; R22-F66 WeakPolarHBondContact O-CB 3.29Å; R22-F66 WeakPolarHBondContact O-CD1 3.37Å; I24-F66 HydrophobicContact CD1-CB 4.32Å; I24-F66 HydrophobicContact CD1-CD1 3.87Å; I24-F66 HydrophobicContact CD1-CG 4.24Å; I24-F66 HydrophobicContact CG1-CB 4.43Å; I24-F66 HydrophobicContact CG1-CD1 3.72Å; I24-F66 HydrophobicContact CG1-CE1 4.46Å; I24-F66 HydrophobicContact CG1-CG 4.42Å; L63-F66 HydrophobicContact CB-CB 4.25Å; L63-F66 HydrophobicContact CB-CD2 4.27Å; L63-F66 HydrophobicContact CD2-CD2 4.07Å; L63-F66 HydrophobicContact CD2-CE2 4.4Å; L63-F66 PolarHBondContact O-N 3.22Å; D64-F66 VanDerWaalsContact C-N 3.33Å; F66-L371 HydrophobicContact CD2-CD1 4.37Å; F66-L371 HydrophobicContact CE1-CD1 4.35Å; F66-L371 HydrophobicContact CE2-CD1 3.43Å; F66-L371 VanDerWaalsContact CE2-CD1 3.43Å; F66-L371 HydrophobicContact CZ-CD1 3.41Å; F66-L371 VanDerWaalsContact CZ-CD1 3.41Å
67	D	94.2	Very high	94.2	Very high	47 Å²	47	48 Å²	48	25%	0.251	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	166.9	165.3	-152	-6.6	0	0	0	109.5	R22 T23 I24 K54 R58	R22-D67 PolarHBondContact O-N 3.28Å; T23-D67 CarbonylContact C-O 2.97Å; T23-D67 WeakPolarHBondContact CA-O 3.21Å; I24-D67 PolarHBondContact N-O 3.12Å; K54-D67 WeakPolarHBondContact CE-OD1 3.33Å; K54-D67 IonicContact NZ-OD1 2.68Å; K54-D67 PolarHBondContact NZ-OD1 3.22Å; R58-D67 IonicContact CZ-OD1 2.78Å; R58-D67 IonicContact NH2-OD1 3.83Å; R58-D67 PolarHBondContact NH2-OD1 3.15Å; R58-D67 IonicContact NH2-OD2 3.8Å; R58-D67 PolarHBondContact NH2-OD2 2.67Å
68	F	95.7	Very high	94	Very high	14 Å²	14	51.2 Å²	51.2	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.9	-176.1	-55.9	-86.1	0	0	0	111.4	I24 V26 K54 I57 L63 F70 F360	I24-F68 HydrophobicContact CB-CD1 3.98Å; I24-F68 HydrophobicContact CB-CE1 4.3Å; I24-F68 HydrophobicContact CD1-CE1 3.99Å; I24-F68 HydrophobicContact CG2-CD1 4.4Å; I24-F68 WeakPolarHBondContact O-CA 3.37Å; V26-F68 HydrophobicContact CG2-CB 4.47Å; V26-F68 HydrophobicContact CG2-CD1 3.98Å; K54-F68 HydrophobicContact CD-CB 4.45Å; K54-F68 HydrophobicContact CD-CD2 4.29Å; K54-F68 HydrophobicContact CG-CD2 4.14Å; K54-F68 PolarHBondContact NZ-O 3.1Å; K54-F68 VanDerWaalsContact NZ-O 3.15Å; I57-F68 HydrophobicContact CD1-CE2 4.4Å; I57-F68 HydrophobicContact CD1-CZ 4.37Å; I57-F68 HydrophobicContact CG2-CE2 4.12Å; I57-F68 HydrophobicContact CG2-CZ 4.39Å; L63-F68 HydrophobicContact CD1-CE1 4.39Å; L63-F68 HydrophobicContact CD1-CZ 3.93Å; F68-F70 HydrophobicContact CB-CE1 4.21Å; F68-F70 HydrophobicContact CB-CE2 4.1Å; F68-F70 HydrophobicContact CB-CZ 3.77Å; F68-F70 HydrophobicContact CG-CZ 4.49Å; F68-F360 HydrophobicContact CB-CZ 4.44Å; F68-F360 AromaticContact CD1-CE2 3.93Å; F68-F360 HydrophobicContact CD1-CE2 3.93Å; F68-F360 AromaticContact CD1-CZ 3.7Å; F68-F360 HydrophobicContact CD1-CZ 3.7Å; F68-F360 HydrophobicContact CD2-CZ 4.13Å; F68-F360 AromaticContact CE1-CE2 3.93Å; F68-F360 HydrophobicContact CE1-CE2 3.93Å; F68-F360 AromaticContact CE1-CZ 3.86Å; F68-F360 HydrophobicContact CE1-CZ 3.86Å; F68-F360 HydrophobicContact CE2-CZ 4.28Å; F68-F360 AromaticContact CG-CZ 3.83Å; F68-F360 HydrophobicContact CG-CZ 3.83Å; F68-F360 HydrophobicContact CZ-CZ 4.15Å
69	E	96.9	Very high	93.9	Very high	80 Å²	80	51 Å²	51	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.5	169.6	179.5	-174.2	176.5	0	0	108.4	T23 I24 K25 V26 L71	T23-E69 HydrophobicContact CG2-CB 3.55Å; I24-E69 PolarHBondContact O-N 3.34Å; K25-E69 WeakPolarHBondContact CA-O 3.27Å; K25-E69 VanDerWaalsContact CE-OE2 3.24Å; K25-E69 WeakPolarHBondContact CE-OE2 3.45Å; K25-E69 HydrophobicContact CG-CB 4.47Å; V26-E69 PolarHBondContact N-O 2.82Å; E69-L71 HydrophobicContact CG-CD2 4.45Å; E69-L71 HydrophobicContact CG-CG 4.43Å
70	F	97.5	Very high	94	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127	-178.6	-56.4	-77.3	0	0	0	110.8	V26 L28 V50 L51 K54 F68 P334 F360	V26-F70 HydrophobicContact CB-CD1 3.69Å; V26-F70 HydrophobicContact CB-CE1 4.08Å; V26-F70 HydrophobicContact CG1-CD1 3.85Å; V26-F70 HydrophobicContact CG1-CE1 4.14Å; V26-F70 HydrophobicContact CG2-CD1 4.23Å; V26-F70 HydrophobicContact CG2-CE1 4.14Å; L28-F70 HydrophobicContact CD1-CB 4.01Å; L28-F70 HydrophobicContact CD1-CD1 4.18Å; L28-F70 HydrophobicContact CD1-CG 4.46Å; V50-F70 HydrophobicContact CB-CD1 4.19Å; V50-F70 HydrophobicContact CB-CE1 3.67Å; V50-F70 HydrophobicContact CB-CZ 4.02Å; V50-F70 HydrophobicContact CG2-CD1 3.63Å; V50-F70 HydrophobicContact CG2-CD2 4.26Å; V50-F70 HydrophobicContact CG2-CE1 3.52Å; V50-F70 HydrophobicContact CG2-CE2 4.15Å; V50-F70 HydrophobicContact CG2-CG 4.01Å; V50-F70 HydrophobicContact CG2-CZ 3.79Å; L51-F70 HydrophobicContact CD2-CD2 3.92Å; L51-F70 HydrophobicContact CD2-CE2 3.66Å; K54-F70 HydrophobicContact CB-CZ 4.38Å; K54-F70 HydrophobicContact CD-CE2 3.78Å; K54-F70 HydrophobicContact CD-CZ 4.08Å; F68-F70 HydrophobicContact CB-CE1 4.21Å; F68-F70 HydrophobicContact CB-CE2 4.1Å; F68-F70 HydrophobicContact CB-CZ 3.77Å; F68-F70 HydrophobicContact CG-CZ 4.49Å; F70-P334 HydrophobicContact CB-CG 4.08Å; F70-P334 HydrophobicContact CD2-CG 4.43Å; F70-F360 AromaticContact CE1-CE1 3.87Å; F70-F360 HydrophobicContact CE1-CE1 3.87Å; F70-F360 HydrophobicContact CE1-CE2 4.25Å; F70-F360 AromaticContact CE1-CZ 3.65Å; F70-F360 HydrophobicContact CE1-CZ 3.65Å; F70-F360 AromaticContact CZ-CE1 3.81Å; F70-F360 HydrophobicContact CZ-CE1 3.81Å; F70-F360 AromaticContact CZ-CZ 3.79Å; F70-F360 HydrophobicContact CZ-CZ 3.79Å
71	L	97.5	Very high	94	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	-126.6	127.2	179.5	-61.3	172.9	0	0	0	108.1	K25 V26 G27 L28 E69 K93 V95	K25-L71 HydrophobicContact CD-CD1 4.39Å; V26-L71 PolarHBondContact O-N 3.33Å; G27-L71 CarbonylContact C-O 3.51Å; G27-L71 VanDerWaalsContact CA-O 3.28Å; G27-L71 WeakPolarHBondContact CA-O 3.36Å; L28-L71 PolarHBondContact N-O 3.16Å; E69-L71 HydrophobicContact CG-CD2 4.45Å; E69-L71 HydrophobicContact CG-CG 4.43Å; L71-K93 HydrophobicContact CB-CD 4.03Å; L71-K93 HydrophobicContact CD1-CB 3.96Å; L71-K93 HydrophobicContact CD1-CD 4.27Å; L71-V95 HydrophobicContact CD1-CG1 4.23Å
72	W	96.1	Very high	94	Very high	62 Å²	62	45.2 Å²	45.2	24%	0.235	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	159.1	-176.2	64	98.3	0	0	0	113.3	L28 F30 Y43 F74 K93 P334 F335	L28-W72 HydrophobicContact CB-CB 3.85Å; L28-W72 CarbonylContact O-C 3.55Å; L28-W72 WeakPolarHBondContact O-CA 3.27Å; L28-W72 WeakPolarHBondContact O-CB 3.41Å; F30-W72 HydrophobicContact CD2-CB 4.2Å; F30-W72 HydrophobicContact CE2-CB 4.23Å; Y43-W72 AromaticContact CE2-CD1 3.84Å; Y43-W72 HydrophobicContact CE2-CG 4.35Å; Y43-W72 AromaticContact CE2-NE1 3.78Å; Y43-W72 AromaticContact CZ-NE1 3.87Å; W72-F74 AromaticContact CD1-CZ 3.7Å; W72-F74 AromaticContact NE1-CZ 3.86Å; W72-K93 PolarHBondContact O-NZ 3.39Å; W72-P334 HydrophobicContact CH2-CB 4.02Å; W72-P334 HydrophobicContact CH2-CG 4.34Å; W72-P334 WeakPolarHBondContact CH2-O 2.95Å; W72-P334 HydrophobicContact CZ3-CB 3.81Å; W72-P334 HydrophobicContact CZ3-CG 3.77Å; W72-F335 HydrophobicContact CD2-CD1 4.16Å; W72-F335 HydrophobicContact CD2-CE1 4.03Å; W72-F335 HydrophobicContact CE3-CD1 4.04Å; W72-F335 AromaticContact CE3-CE1 3.77Å; W72-F335 HydrophobicContact CE3-CE1 3.77Å; W72-F335 HydrophobicContact CH2-CD1 4.07Å; W72-F335 HydrophobicContact CZ2-CD1 4.14Å; W72-F335 HydrophobicContact CZ3-CD1 4.01Å; W72-F335 HydrophobicContact CZ3-CE1 4.08Å
73	D	96.5	Very high	94.2	Very high	18 Å²	18	45.5 Å²	45.5	10%	0.096	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	169.9	169.1	-91	-67	0	0	0	109.3	L28 L29 F30 K85 K93	L28-D73 PolarHBondContact O-N 2.81Å; L29-D73 HydrophobicContact CD2-CB 3.84Å; F30-D73 PolarHBondContact N-O 3.49Å; F30-D73 VanDerWaalsContact N-O 3.16Å; D73-K85 HydrophobicContact CB-CB 4Å; D73-K85 HydrophobicContact CB-CD 3.95Å; D73-K85 HydrophobicContact CB-CG 4.06Å; D73-K85 WeakPolarHBondContact OD1-CE 3.48Å; D73-K85 IonicContact OD1-NZ 3.51Å; D73-K85 PolarHBondContact OD1-NZ 3.39Å; D73-K93 IonicContact OD1-NZ 3.63Å; D73-K93 WeakPolarHBondContact OD2-CE 3.4Å; D73-K93 IonicContact OD2-NZ 3.85Å; D73-K93 PolarHBondContact OD2-NZ 3.47Å
74	F	96.1	Very high	94.4	Very high	47 Å²	47	46.8 Å²	46.8	21%	0.206	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	111.6	-178.8	-53.5	-67.6	0	0	0	110.7	F30 Q32 Y43 W72 E76	F30-F74 HydrophobicContact CB-CD1 4.14Å; F30-F74 HydrophobicContact CB-CE1 4.39Å; F30-F74 CarbonylContact O-C 3.57Å; F30-F74 VanDerWaalsContact O-CA 3.22Å; F30-F74 WeakPolarHBondContact O-CA 3.48Å; Q32-F74 HydrophobicContact CB-CD1 3.66Å; Q32-F74 HydrophobicContact CB-CE1 3.85Å; Q32-F74 HydrophobicContact CB-CG 4.04Å; Q32-F74 HydrophobicContact CB-CZ 4.38Å; Q32-F74 HydrophobicContact CG-CE1 4.32Å; Q32-F74 HydrophobicContact CG-CZ 4.48Å; Y43-F74 HydrophobicContact CD1-CE1 4.07Å; Y43-F74 HydrophobicContact CD1-CZ 4.29Å; Y43-F74 AromaticContact CD2-CE1 3.76Å; Y43-F74 HydrophobicContact CD2-CE1 3.76Å; Y43-F74 HydrophobicContact CD2-CZ 4.35Å; Y43-F74 HydrophobicContact CE1-CZ 4.42Å; Y43-F74 HydrophobicContact CE2-CE1 4.28Å; Y43-F74 HydrophobicContact CE2-CZ 4.45Å; Y43-F74 AromaticContact CG-CE1 3.64Å; Y43-F74 HydrophobicContact CG-CE1 3.64Å; Y43-F74 HydrophobicContact CG-CZ 4.27Å; W72-F74 AromaticContact CD1-CZ 3.7Å; W72-F74 AromaticContact NE1-CZ 3.86Å; F74-E76 HydrophobicContact CB-CG 4.28Å
75	D	93.6	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.			trans	-83.6	-19.8	176	69.3	-81	0	0	0	112.3	F30 C77 N78	F30-D75 PolarHBondContact N-OD1 2.8Å; F30-D75 PolarHBondContact O-N 3.24Å; F30-D75 VanDerWaalsContact O-N 3.1Å; D75-C77 PolarHBondContact O-N 2.79Å; D75-C77 VanDerWaalsContact O-N 3.11Å; D75-C77 VanDerWaalsContact OD2-CA 3.31Å; D75-C77 WeakPolarHBondContact OD2-CA 3.29Å; D75-C77 PolarHBondContact OD2-N 2.54Å; D75-N78 PolarHBondContact O-N 3.45Å
76	E	93.5	Very high	95.2	Very high	36 Å²	36	43.7 Å²	43.7	17%	0.168	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	28.2	178.7	-56.1	-70.3	-168.6	0	0	113.4	Q32 N33 V34 F74 N78 L81	Q32-E76 PolarHBondContact N-OE2 3.37Å; N33-E76 PolarHBondContact N-OE1 2.87Å; N33-E76 PolarHBondContact N-OE2 3.48Å; N33-E76 PolarHBondContact ND2-OE1 3.19Å; V34-E76 HydrophobicContact CG2-CB 4.39Å; F74-E76 HydrophobicContact CB-CG 4.28Å; E76-N78 PolarHBondContact O-N 3.27Å; E76-N78 VanDerWaalsContact O-N 3.07Å; E76-L81 HydrophobicContact CB-CD1 4.45Å
77	C	90.8	Very high	95.4	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.196	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	23	-172.3	-69.3	0	0	0	0	114.1	V31 L37 D75 C103	V31-C77 HydrophobicContact CG2-CB 4.35Å; V31-C77 WeakPolarHBondContact CG2-SG 3.31Å; L37-C77 HydrophobicContact CD1-CB 4.04Å; D75-C77 PolarHBondContact O-N 2.79Å; D75-C77 VanDerWaalsContact O-N 3.11Å; D75-C77 VanDerWaalsContact OD2-CA 3.31Å; D75-C77 WeakPolarHBondContact OD2-CA 3.29Å; D75-C77 PolarHBondContact OD2-N 2.54Å; C77-C103 HydrophobicContact CB-CB 3.57Å; C77-C103 WeakPolarHBondContact CB-SG 3.38Å; C77-C103 WeakPolarHBondContact SG-CB 3.42Å; C77-C103 CovalentContact SG-SG 2.02Å; C77-C103 PolarHBondContact SG-SG 3.13Å
78	N	93.2	Very high	95.5	Very high	70 Å²	70	45.5 Å²	45.5	37%	0.374	24%	0.239	S	C	.	.			trans	-100.7	126.9	178.9	-179.1	-78.3	0	0	0	110	D75 E76 I80 L81 G82	D75-N78 PolarHBondContact O-N 3.45Å; E76-N78 PolarHBondContact O-N 3.27Å; E76-N78 VanDerWaalsContact O-N 3.07Å; N78-I80 VanDerWaalsContact C-N 3.34Å; N78-I80 PolarHBondContact O-N 3.18Å; N78-I80 WeakPolarHBondContact OD1-CB 3.49Å; N78-I80 PolarHBondContact OD1-N 3.34Å; N78-L81 HydrophobicContact CB-CB 4.08Å; N78-L81 HydrophobicContact CB-CD1 4Å; N78-L81 HydrophobicContact CB-CG 4.18Å; N78-L81 PolarHBondContact O-N 3.23Å; N78-L81 PolarHBondContact OD1-N 2.79Å; N78-G82 PolarHBondContact O-N 3.1Å
79	E	92.3	Very high	95.6	Very high	98 Å²	98	44.8 Å²	44.8	46%	0.458	24%	0.236	S	C	.	.	H	α-helix	trans	-57.3	-42.3	-176.1	-175.5	177.1	171.2	0	0	113.4	A83 R105 I109	E79-A83 WeakPolarHBondContact O-CB 3.33Å; E79-A83 PolarHBondContact O-N 2.98Å; E79-A83 VanDerWaalsContact O-N 3.13Å; E79-R105 HydrophobicContact CB-CB 4.4Å; E79-I109 HydrophobicContact CG-CD1 3.31Å; E79-I109 HydrophobicContact CG-CG1 4.23Å; E79-I109 WeakPolarHBondContact OE1-CD1 3.45Å
80	I	95	Very high	95.5	Very high	140 Å²	140	41 Å²	41	72%	0.718	22%	0.218	S	C	*	.	H	α-helix	trans	-73.3	-45.3	-177.4	-58.8	174.1	0	0	0	110.5	N78 A83 G84	N78-I80 VanDerWaalsContact C-N 3.34Å; N78-I80 PolarHBondContact O-N 3.18Å; N78-I80 WeakPolarHBondContact OD1-CB 3.49Å; N78-I80 PolarHBondContact OD1-N 3.34Å; I80-A83 PolarHBondContact O-N 2.79Å; I80-G84 PolarHBondContact O-N 3.2Å; I80-G84 VanDerWaalsContact O-N 3.11Å
81	L	95.2	Very high	95.4	Very high	84 Å²	84	45 Å²	45	44%	0.44	24%	0.237	S	C	.	.	H	α-helix	trans	-64.5	-45.5	177.2	-67.3	175.8	0	0	0	110.8	E76 N78 A83 G84 K85	E76-L81 HydrophobicContact CB-CD1 4.45Å; N78-L81 HydrophobicContact CB-CB 4.08Å; N78-L81 HydrophobicContact CB-CD1 4Å; N78-L81 HydrophobicContact CB-CG 4.18Å; N78-L81 PolarHBondContact O-N 3.23Å; N78-L81 PolarHBondContact OD1-N 2.79Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.1Å; L81-G84 PolarHBondContact O-N 3.16Å; L81-K85 WeakPolarHBondContact O-CB 3.45Å; L81-K85 VanDerWaalsContact O-CG 3.29Å; L81-K85 WeakPolarHBondContact O-CG 3.49Å; L81-K85 PolarHBondContact O-N 3.19Å
82	G	94.7	Very high	95.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-41	176.9	0	0	0	0	0	113	N78 T86	N78-G82 PolarHBondContact O-N 3.1Å; G82-T86 VanDerWaalsContact O-CB 3.24Å; G82-T86 WeakPolarHBondContact O-CB 3.32Å; G82-T86 PolarHBondContact O-N 3.03Å; G82-T86 PolarHBondContact O-OG1 3.44Å
83	A	95.7	Very high	95.3	Very high	22 Å²	22	48.2 Å²	48.2	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-51.4	174	0	0	0	0	0	112.2	E79 I80 L81 T86 V87 I109	E79-A83 WeakPolarHBondContact O-CB 3.33Å; E79-A83 PolarHBondContact O-N 2.98Å; E79-A83 VanDerWaalsContact O-N 3.13Å; I80-A83 PolarHBondContact O-N 2.79Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.1Å; A83-T86 PolarHBondContact O-N 2.98Å; A83-V87 WeakPolarHBondContact O-CG2 3.44Å; A83-V87 PolarHBondContact O-N 3.29Å; A83-V87 VanDerWaalsContact O-N 3.08Å; A83-I109 HydrophobicContact CB-CG2 3.67Å
84	G	96.6	Very high	95.3	Very high	35 Å²	35	53.5 Å²	53.5	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-45.4	-179.8	0	0	0	0	0	112.7	I80 L81 T86 V87 D88	I80-G84 PolarHBondContact O-N 3.2Å; I80-G84 VanDerWaalsContact O-N 3.11Å; L81-G84 PolarHBondContact O-N 3.16Å; G84-T86 PolarHBondContact O-N 2.79Å; G84-V87 WeakPolarHBondContact O-CB 3.42Å; G84-V87 PolarHBondContact O-N 3.22Å; G84-D88 PolarHBondContact O-N 3.49Å
85	K	97.1	Very high	95.3	Very high	59 Å²	59	51.3 Å²	51.3	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-36.9	178.4	-67.3	-46.8	-165.7	162	0	112.8	L29 D73 L81 V87 D88 L89	L29-K85 HydrophobicContact CD2-CB 3.93Å; D73-K85 HydrophobicContact CB-CB 4Å; D73-K85 HydrophobicContact CB-CD 3.95Å; D73-K85 HydrophobicContact CB-CG 4.06Å; D73-K85 WeakPolarHBondContact OD1-CE 3.48Å; D73-K85 IonicContact OD1-NZ 3.51Å; D73-K85 PolarHBondContact OD1-NZ 3.39Å; L81-K85 WeakPolarHBondContact O-CB 3.45Å; L81-K85 VanDerWaalsContact O-CG 3.29Å; L81-K85 WeakPolarHBondContact O-CG 3.49Å; L81-K85 PolarHBondContact O-N 3.19Å; K85-V87 VanDerWaalsContact C-N 3.34Å; K85-D88 IonicContact NZ-OD2 2.64Å; K85-D88 PolarHBondContact O-N 3.37Å; K85-L89 WeakPolarHBondContact O-CG 3.49Å; K85-L89 PolarHBondContact O-N 3.46Å
86	T	97.3	Very high	95.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-42.8	172.3	-64.1	0	0	0	0	111.3	L29 G82 A83 G84 D88 L89 L90 I98 S110 L113	L29-T86 WeakPolarHBondContact CD1-OG1 3.44Å; G82-T86 VanDerWaalsContact O-CB 3.24Å; G82-T86 WeakPolarHBondContact O-CB 3.32Å; G82-T86 PolarHBondContact O-N 3.03Å; G82-T86 PolarHBondContact O-OG1 3.44Å; A83-T86 PolarHBondContact O-N 2.98Å; G84-T86 PolarHBondContact O-N 2.79Å; T86-D88 PolarHBondContact O-N 2.99Å; T86-L89 PolarHBondContact O-N 3.29Å; T86-L90 HydrophobicContact CG2-CD1 3.59Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CB 3.38Å; T86-L90 WeakPolarHBondContact O-CD1 3.44Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 3.24Å; T86-I98 HydrophobicContact CG2-CD1 4.09Å; T86-S110 WeakPolarHBondContact OG1-CB 3.38Å; T86-S110 PolarHBondContact OG1-OG 3.34Å; T86-L113 HydrophobicContact CG2-CB 4.14Å; T86-L113 HydrophobicContact CG2-CD1 3.99Å
87	V	97	Very high	95.7	Very high	55 Å²	55	50.8 Å²	50.8	33%	0.333	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-42.5	174.2	175.1	0	0	0	0	111.6	A83 G84 K85 L89 L90 E91 L113	A83-V87 WeakPolarHBondContact O-CG2 3.44Å; A83-V87 PolarHBondContact O-N 3.29Å; A83-V87 VanDerWaalsContact O-N 3.08Å; G84-V87 WeakPolarHBondContact O-CB 3.42Å; G84-V87 PolarHBondContact O-N 3.22Å; K85-V87 VanDerWaalsContact C-N 3.34Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.19Å; V87-L90 PolarHBondContact O-N 3.47Å; V87-E91 HydrophobicContact CG1-CB 4.47Å; V87-E91 HydrophobicContact CG1-CG 4.26Å; V87-E91 WeakPolarHBondContact O-CB 3.46Å; V87-E91 PolarHBondContact O-N 3.47Å; V87-L113 HydrophobicContact CG2-CD1 3.89Å; V87-L113 HydrophobicContact CG2-CD2 4.48Å
88	D	97.1	Very high	96	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	26%	0.261	S	S	.	.	I	π-helix	trans	-58.8	-43.8	175.5	-72.8	-19.5	0	0	0	111.6	G84 K85 T86 L90 V92 K93	G84-D88 PolarHBondContact O-N 3.49Å; K85-D88 IonicContact NZ-OD2 2.64Å; K85-D88 PolarHBondContact O-N 3.37Å; T86-D88 PolarHBondContact O-N 2.99Å; D88-L90 PolarHBondContact O-N 3.47Å; D88-V92 WeakPolarHBondContact O-CA 3.36Å; D88-V92 VanDerWaalsContact O-CB 3.29Å; D88-V92 WeakPolarHBondContact O-CB 3.4Å; D88-V92 PolarHBondContact O-N 3.26Å; D88-V92 VanDerWaalsContact O-N 3.08Å; D88-K93 PolarHBondContact O-N 3.02Å
89	L	97.3	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-61	-44.1	175.6	-69.1	-174.5	0	0	0	111.8	L29 K85 T86 V87 K93 K94 V95 I98	L29-L89 HydrophobicContact CD1-CD1 4.16Å; L29-L89 HydrophobicContact CD2-CD1 3.71Å; L29-L89 HydrophobicContact CD2-CG 4.46Å; L29-L89 HydrophobicContact CG-CD1 3.74Å; K85-L89 WeakPolarHBondContact O-CG 3.49Å; K85-L89 PolarHBondContact O-N 3.46Å; T86-L89 PolarHBondContact O-N 3.29Å; V87-L89 VanDerWaalsContact C-N 3.33Å; V87-L89 PolarHBondContact O-N 3.19Å; L89-K93 HydrophobicContact CD2-CD 3.85Å; L89-K93 CarbonylContact O-C 3.6Å; L89-K94 PolarHBondContact O-N 3.38Å; L89-V95 HydrophobicContact CB-CG1 4.37Å; L89-V95 HydrophobicContact CB-CG2 4Å; L89-V95 HydrophobicContact CD2-CG1 4.37Å; L89-V95 WeakPolarHBondContact O-CG2 3.49Å; L89-V95 PolarHBondContact O-N 3.17Å; L89-I98 HydrophobicContact CB-CD1 4.29Å; L89-I98 HydrophobicContact CD1-CD1 4.35Å; L89-I98 HydrophobicContact CD1-CG1 4.35Å; L89-I98 HydrophobicContact CD1-CG2 4.24Å
90	L	95.8	Very high	96.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.222	C	C	.	.	I	π-helix	trans	-75.1	-47.9	-173.9	-66.4	166.6	0	0	0	113.3	T86 V87 D88 K94 I98 L113 Y117 I119 R380	T86-L90 HydrophobicContact CG2-CD1 3.59Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CB 3.38Å; T86-L90 WeakPolarHBondContact O-CD1 3.44Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 3.24Å; V87-L90 PolarHBondContact O-N 3.47Å; D88-L90 PolarHBondContact O-N 3.47Å; L90-K94 WeakPolarHBondContact O-CA 3.34Å; L90-I98 HydrophobicContact CD2-CD1 3.73Å; L90-I98 HydrophobicContact CG-CD1 3.96Å; L90-L113 HydrophobicContact CD1-CB 4.11Å; L90-Y117 HydrophobicContact CB-CD2 4.49Å; L90-Y117 HydrophobicContact CD1-CD2 3.71Å; L90-Y117 HydrophobicContact CD1-CE2 4.05Å; L90-I119 HydrophobicContact CD2-CB 4.18Å; L90-I119 HydrophobicContact CD2-CD1 3.39Å; L90-I119 HydrophobicContact CD2-CG1 4.38Å; L90-I119 HydrophobicContact CD2-CG2 4.08Å; L90-R380 PolarHBondContact O-NH2 3.03Å
91	E	95.2	Very high	96.4	Very high	91 Å²	91	34.7 Å²	34.7	43%	0.425	19%	0.187	S	C	.	.	I	π-helix	trans	-96.3	-41.4	-170.5	-73.1	-62.6	125	0	0	113.2	V87 K94 Y117	V87-E91 HydrophobicContact CG1-CB 4.47Å; V87-E91 HydrophobicContact CG1-CG 4.26Å; V87-E91 WeakPolarHBondContact O-CB 3.46Å; V87-E91 PolarHBondContact O-N 3.47Å; E91-K94 WeakPolarHBondContact O-CG 3.46Å; E91-Y117 WeakPolarHBondContact OE1-CE1 3.46Å; E91-Y117 VanDerWaalsContact OE1-CZ 3.3Å; E91-Y117 PolarHBondContact OE1-OH 3.28Å
92	V	96.2	Very high	96.2	Very high	109 Å²	109	30.7 Å²	30.7	66%	0.661	17%	0.167	S	C	*	.	I	π-helix	trans	-87.8	-55.5	-175.8	-176.1	0	0	0	0	110.5	D88	D88-V92 WeakPolarHBondContact O-CA 3.36Å; D88-V92 VanDerWaalsContact O-CB 3.29Å; D88-V92 WeakPolarHBondContact O-CB 3.4Å; D88-V92 PolarHBondContact O-N 3.26Å; D88-V92 VanDerWaalsContact O-N 3.08Å
93	K	96.1	Very high	96.1	Very high	58 Å²	58	31.5 Å²	31.5	25%	0.252	17%	0.172	S	C	.	.	S	Bend	trans	-81.1	-20.9	-177.8	-61.9	-167.5	-168.7	162.9	0	113	L71 W72 D73 D88 L89 V95	L71-K93 HydrophobicContact CB-CD 4.03Å; L71-K93 HydrophobicContact CD1-CB 3.96Å; L71-K93 HydrophobicContact CD1-CD 4.27Å; W72-K93 PolarHBondContact O-NZ 3.39Å; D73-K93 IonicContact OD1-NZ 3.63Å; D73-K93 WeakPolarHBondContact OD2-CE 3.4Å; D73-K93 IonicContact OD2-NZ 3.85Å; D73-K93 PolarHBondContact OD2-NZ 3.47Å; D88-K93 PolarHBondContact O-N 3.02Å; L89-K93 HydrophobicContact CD2-CD 3.85Å; L89-K93 CarbonylContact O-C 3.6Å; K93-V95 HydrophobicContact CB-CG1 4.27Å
94	K	95.4	Very high	95.9	Very high	129 Å²	129	30.6 Å²	30.6	56%	0.561	16%	0.164	S	C	*	.			trans	55.3	49.5	177.7	-59.3	-174.5	178.6	-174.8	0	113.2	L89 L90 E91 R380	L89-K94 PolarHBondContact O-N 3.38Å; L90-K94 WeakPolarHBondContact O-CA 3.34Å; E91-K94 WeakPolarHBondContact O-CG 3.46Å; K94-R380 PolarHBondContact O-NH1 3.14Å
95	V	97.1	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.			trans	-64.6	155.4	176.7	-56.7	0	0	0	0	112.3	K25 L71 L89 K93 I98 R380	K25-V95 HydrophobicContact CB-CB 4.47Å; L71-V95 HydrophobicContact CD1-CG1 4.23Å; L89-V95 HydrophobicContact CB-CG1 4.37Å; L89-V95 HydrophobicContact CB-CG2 4Å; L89-V95 HydrophobicContact CD2-CG1 4.37Å; L89-V95 WeakPolarHBondContact O-CG2 3.49Å; L89-V95 PolarHBondContact O-N 3.17Å; K93-V95 HydrophobicContact CB-CG1 4.27Å; V95-I98 HydrophobicContact CG2-CD1 4.2Å; V95-I98 HydrophobicContact CG2-CG1 3.68Å; V95-R380 PolarHBondContact O-NH1 3.3Å; V95-R380 VanDerWaalsContact O-NH1 3.14Å
96	D	96.5	Very high	95.4	Very high	25 Å²	25	31.5 Å²	31.5	13%	0.134	16%	0.155	C	C	.	.	S	Bend	trans	-96	-21	178.7	-59.3	-55.2	0	0	0	112.6	I24 K25 P120	I24-D96 HydrophobicContact CG2-CB 4.03Å; K25-D96 PolarHBondContact N-OD2 2.95Å; K25-D96 PolarHBondContact O-N 3.49Å; D96-P120 WeakPolarHBondContact O-CD 3.45Å
97	V	97.5	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150.5	178.7	57.9	0	0	0	0	109.3	V26 G27 F99 P120 F122 Y363	V26-V97 HydrophobicContact CB-CG1 4.25Å; V26-V97 HydrophobicContact CG1-CG1 4.16Å; V26-V97 HydrophobicContact CG2-CG1 3.92Å; G27-V97 PolarHBondContact N-O 2.9Å; V97-F99 HydrophobicContact CB-CE2 4.42Å; V97-F99 HydrophobicContact CG1-CE2 3.86Å; V97-F99 HydrophobicContact CG2-CD2 4.24Å; V97-F99 HydrophobicContact CG2-CE2 3.61Å; V97-F99 HydrophobicContact CG2-CZ 3.98Å; V97-P120 WeakPolarHBondContact CA-O 3.36Å; V97-P120 HydrophobicContact CB-CG 3.99Å; V97-P120 HydrophobicContact CG2-CB 4.35Å; V97-P120 HydrophobicContact CG2-CG 3.95Å; V97-F122 HydrophobicContact CG2-CD2 3.76Å; V97-F122 HydrophobicContact CG2-CE2 3.85Å; V97-Y363 HydrophobicContact CB-CD2 4.36Å; V97-Y363 HydrophobicContact CB-CE1 4.42Å; V97-Y363 HydrophobicContact CB-CE2 3.74Å; V97-Y363 HydrophobicContact CG1-CD1 4.45Å; V97-Y363 HydrophobicContact CG1-CE1 3.84Å; V97-Y363 HydrophobicContact CG1-CE2 4.08Å; V97-Y363 HydrophobicContact CG2-CD2 3.86Å; V97-Y363 HydrophobicContact CG2-CE2 3.74Å; V97-Y363 HydrophobicContact CG2-CG 4.34Å
98	I	97.9	Very high	95.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.1	174.1	-60.5	177	0	0	0	109.8	G27 L29 T86 L89 L90 V95 G100 P120 I121 F122	G27-I98 CarbonylContact O-C 3.57Å; G27-I98 WeakPolarHBondContact O-CA 3.15Å; L29-I98 HydrophobicContact CD1-CG2 4.11Å; L29-I98 HydrophobicContact CG-CG2 4.46Å; T86-I98 HydrophobicContact CG2-CD1 4.09Å; L89-I98 HydrophobicContact CB-CD1 4.29Å; L89-I98 HydrophobicContact CD1-CD1 4.35Å; L89-I98 HydrophobicContact CD1-CG1 4.35Å; L89-I98 HydrophobicContact CD1-CG2 4.24Å; L90-I98 HydrophobicContact CD2-CD1 3.73Å; L90-I98 HydrophobicContact CG-CD1 3.96Å; V95-I98 HydrophobicContact CG2-CD1 4.2Å; V95-I98 HydrophobicContact CG2-CG1 3.68Å; I98-G100 WeakPolarHBondContact CG2-O 3.31Å; I98-P120 PolarHBondContact N-O 3.44Å; I98-I121 HydrophobicContact CB-CB 4.4Å; I98-I121 HydrophobicContact CB-CD1 4.29Å; I98-I121 HydrophobicContact CB-CG1 3.98Å; I98-I121 HydrophobicContact CG2-CD1 4.04Å; I98-I121 HydrophobicContact CG2-CG1 4.02Å; I98-I121 CarbonylContact O-C 3.58Å; I98-I121 VanDerWaalsContact O-CA 3.29Å; I98-I121 WeakPolarHBondContact O-CA 3.25Å; I98-F122 PolarHBondContact O-N 3.29Å
99	F	97.7	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	166.1	-62.1	-98.5	0	0	0	110	V26 G27 L28 L29 V97 F122 L356 A359 F360 Y363	V26-F99 HydrophobicContact CG1-CD2 3.6Å; V26-F99 HydrophobicContact CG1-CE2 3.71Å; G27-F99 PolarHBondContact O-N 3.13Å; L28-F99 WeakPolarHBondContact CA-O 3.46Å; L28-F99 HydrophobicContact CD2-CB 3.99Å; L28-F99 HydrophobicContact CD2-CD2 4.36Å; L28-F99 HydrophobicContact CD2-CG 4.49Å; L29-F99 PolarHBondContact N-O 3.44Å; V97-F99 HydrophobicContact CB-CE2 4.42Å; V97-F99 HydrophobicContact CG1-CE2 3.86Å; V97-F99 HydrophobicContact CG2-CD2 4.24Å; V97-F99 HydrophobicContact CG2-CE2 3.61Å; V97-F99 HydrophobicContact CG2-CZ 3.98Å; F99-F122 CarbonylContact C-O 3.44Å; F99-F122 VanDerWaalsContact CA-O 3.29Å; F99-F122 WeakPolarHBondContact CA-O 3.35Å; F99-F122 HydrophobicContact CD1-CB 3.42Å; F99-F122 VanDerWaalsContact CD1-CB 3.42Å; F99-F122 HydrophobicContact CD1-CD2 4.39Å; F99-F122 HydrophobicContact CD1-CG 4.07Å; F99-F122 HydrophobicContact CE1-CB 3.53Å; F99-F122 HydrophobicContact CE1-CD1 4.31Å; F99-F122 AromaticContact CE1-CD2 3.8Å; F99-F122 HydrophobicContact CE1-CD2 3.8Å; F99-F122 AromaticContact CE1-CG 3.64Å; F99-F122 HydrophobicContact CE1-CG 3.64Å; F99-F122 HydrophobicContact CG-CB 4.22Å; F99-F122 HydrophobicContact CZ-CB 4.45Å; F99-F122 AromaticContact CZ-CD2 3.96Å; F99-F122 HydrophobicContact CZ-CD2 3.96Å; F99-F122 HydrophobicContact CZ-CE2 4.48Å; F99-F122 HydrophobicContact CZ-CG 4.26Å; F99-L356 HydrophobicContact CB-CD1 3.79Å; F99-L356 HydrophobicContact CD1-CD1 4.18Å; F99-L356 HydrophobicContact CG-CD1 4.15Å; F99-A359 HydrophobicContact CD1-CB 3.99Å; F99-A359 HydrophobicContact CE1-CB 3.91Å; F99-F360 VanDerWaalsContact CE1-CA 3.49Å; F99-F360 HydrophobicContact CE1-CB 4.01Å; F99-F360 HydrophobicContact CE1-CD2 4.46Å; F99-F360 AromaticContact CE2-CD2 3.77Å; F99-F360 HydrophobicContact CE2-CD2 3.77Å; F99-F360 HydrophobicContact CE2-CE2 4.5Å; F99-F360 HydrophobicContact CZ-CB 4.05Å; F99-F360 AromaticContact CZ-CD2 3.65Å; F99-F360 HydrophobicContact CZ-CD2 3.65Å; F99-F360 HydrophobicContact CZ-CG 4.32Å; F99-Y363 HydrophobicContact CZ-CD1 4.21Å; F99-Y363 HydrophobicContact CZ-CG 4Å
100	G	95	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.			trans	89.9	178.8	-165.1	0	0	0	0	0	111.9	I98 I121 F122	I98-G100 WeakPolarHBondContact CG2-O 3.31Å; G100-I121 WeakPolarHBondContact O-CD1 3.4Å; G100-I121 WeakPolarHBondContact O-CG1 3.47Å; G100-F122 PolarHBondContact N-O 3.07Å
101	P	95.7	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.			cis	-61.2	160.1	9.2	-23.2	33.3	0	0	0	116.9	L29 C103 P106 A107 S110 E123 T127	L29-P101 HydrophobicContact CD1-CG 3.73Å; P101-C103 VanDerWaalsContact C-N 3.33Å; P101-C103 PolarHBondContact O-N 3.31Å; P101-P106 HydrophobicContact CB-CB 3.83Å; P101-P106 HydrophobicContact CB-CG 3.8Å; P101-P106 HydrophobicContact CG-CB 3.88Å; P101-P106 HydrophobicContact CG-CG 4.39Å; P101-A107 HydrophobicContact CB-CB 4.5Å; P101-S110 WeakPolarHBondContact CG-OG 3.38Å; P101-E123 WeakPolarHBondContact CD-OE2 3.44Å; P101-E123 VanDerWaalsContact N-OE2 3.15Å; P101-T127 VanDerWaalsContact O-CG2 3.26Å; P101-T127 WeakPolarHBondContact O-CG2 3.44Å
102	T	92.4	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-87.4	3.3	-177.1	48.6	0	0	0	0	115.2	I41 W124 L126	I41-T102 HydrophobicContact CB-CG2 4.22Å; I41-T102 WeakPolarHBondContact CD1-OG1 3.49Å; I41-T102 HydrophobicContact CG2-CG2 4.43Å; T102-W124 WeakPolarHBondContact CA-O 3.47Å; T102-W124 HydrophobicContact CG2-CD2 4.01Å; T102-W124 VanDerWaalsContact CG2-CE2 3.43Å; T102-W124 HydrophobicContact CG2-CE3 4.38Å; T102-W124 HydrophobicContact CG2-CH2 3.72Å; T102-W124 HydrophobicContact CG2-CZ2 3.26Å; T102-W124 HydrophobicContact CG2-CZ3 4.27Å; T102-L126 CarbonylContact O-C 3.54Å; T102-L126 WeakPolarHBondContact O-CA 3.36Å; T102-L126 WeakPolarHBondContact O-CB 3.38Å; T102-L126 PolarHBondContact O-N 2.7Å
103	C	91.3	Very high	95.3	Very high	17 Å²	17	24.9 Å²	24.9	12%	0.115	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-135.2	146.2	-177.5	-77.1	0	0	0	0	111.9	C77 P101 R105 P106 A107	C77-C103 HydrophobicContact CB-CB 3.57Å; C77-C103 WeakPolarHBondContact CB-SG 3.38Å; C77-C103 WeakPolarHBondContact SG-CB 3.42Å; C77-C103 CovalentContact SG-SG 2.02Å; C77-C103 PolarHBondContact SG-SG 3.13Å; P101-C103 VanDerWaalsContact C-N 3.33Å; P101-C103 PolarHBondContact O-N 3.31Å; C103-R105 PolarHBondContact O-N 3.38Å; C103-P106 HydrophobicContact CB-CG 3.97Å; C103-P106 VanDerWaalsContact O-CD 3.25Å; C103-P106 WeakPolarHBondContact O-CD 3.41Å; C103-P106 WeakPolarHBondContact O-CG 3.45Å; C103-A107 WeakPolarHBondContact O-CB 2.96Å; C103-A107 PolarHBondContact O-N 3.1Å
104	S	91.3	Very high	95.3	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-54.4	-47.9	-173.9	-68	0	0	0	0	115.3	A107 L108 L126 S128 T129 E178	S104-A107 PolarHBondContact O-N 2.61Å; S104-L108 WeakPolarHBondContact O-CG 3.22Å; S104-L108 PolarHBondContact O-N 3.05Å; S104-L126 PolarHBondContact OG-O 2.81Å; S104-S128 PolarHBondContact OG-N 3.3Å; S104-T129 PolarHBondContact OG-N 3.39Å; S104-T129 VanDerWaalsContact OG-N 3.13Å; S104-E178 WeakPolarHBondContact CB-OE1 3.16Å
105	R	90.4	Very high	95.3	Very high	113 Å²	113	17.8 Å²	17.8	43%	0.426	10%	0.095	S	C	.	.	H	α-helix	trans	-59.4	-57.3	-178.8	-71	175.4	-163.4	-177.3	-3.4	113.8	E79 C103 A107 L108 E178	E79-R105 HydrophobicContact CB-CB 4.4Å; C103-R105 PolarHBondContact O-N 3.38Å; R105-A107 VanDerWaalsContact C-N 3.27Å; R105-A107 PolarHBondContact O-N 3.23Å; R105-L108 PolarHBondContact O-N 3.4Å; R105-E178 WeakPolarHBondContact CG-OE2 3.33Å; R105-E178 IonicContact CZ-OE2 2.61Å; R105-E178 IonicContact NE-OE2 3.81Å; R105-E178 PolarHBondContact NE-OE2 3.46Å
106	P	94.3	Very high	95.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-32.7	176.3	24.9	-33.4	0	0	0	112.1	P101 C103 L108 I109 S110	P101-P106 HydrophobicContact CB-CB 3.83Å; P101-P106 HydrophobicContact CB-CG 3.8Å; P101-P106 HydrophobicContact CG-CB 3.88Å; P101-P106 HydrophobicContact CG-CG 4.39Å; C103-P106 HydrophobicContact CB-CG 3.97Å; C103-P106 VanDerWaalsContact O-CD 3.25Å; C103-P106 WeakPolarHBondContact O-CD 3.41Å; C103-P106 WeakPolarHBondContact O-CG 3.45Å; P106-L108 PolarHBondContact O-N 3.21Å; P106-I109 PolarHBondContact O-N 3.27Å; P106-S110 VanDerWaalsContact O-CB 3.31Å; P106-S110 WeakPolarHBondContact O-CB 3.44Å; P106-S110 PolarHBondContact O-N 3.35Å; P106-S110 PolarHBondContact O-OG 3.07Å
107	A	95.5	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.5	-41	177.4	0	0	0	0	0	112.7	P101 C103 S104 R105 I109 S110 S111 E123 T127 L132	P101-A107 HydrophobicContact CB-CB 4.5Å; C103-A107 WeakPolarHBondContact O-CB 2.96Å; C103-A107 PolarHBondContact O-N 3.1Å; S104-A107 PolarHBondContact O-N 2.61Å; R105-A107 VanDerWaalsContact C-N 3.27Å; R105-A107 PolarHBondContact O-N 3.23Å; A107-I109 PolarHBondContact O-N 3.14Å; A107-S110 PolarHBondContact O-N 3.49Å; A107-S111 WeakPolarHBondContact O-CB 3.44Å; A107-S111 PolarHBondContact O-N 3.17Å; A107-S111 PolarHBondContact O-OG 2.86Å; A107-E123 HydrophobicContact CB-CG 4.37Å; A107-T127 HydrophobicContact CB-CG2 3.9Å; A107-L132 HydrophobicContact CB-CD1 3.83Å; A107-L132 HydrophobicContact CB-CD2 4.39Å
108	L	94.7	Very high	95.2	Very high	33 Å²	33	31.4 Å²	31.4	17%	0.173	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-42.9	178.3	-73.3	169.3	0	0	0	113.1	S104 R105 P106 A112 T129 Q131 L132 F138	S104-L108 WeakPolarHBondContact O-CG 3.22Å; S104-L108 PolarHBondContact O-N 3.05Å; R105-L108 PolarHBondContact O-N 3.4Å; P106-L108 PolarHBondContact O-N 3.21Å; L108-A112 PolarHBondContact O-N 3.45Å; L108-T129 HydrophobicContact CD1-CG2 4.31Å; L108-T129 HydrophobicContact CD2-CG2 4.01Å; L108-T129 HydrophobicContact CG-CG2 4.09Å; L108-Q131 HydrophobicContact CD2-CB 3.73Å; L108-L132 HydrophobicContact CD2-CD2 3.94Å; L108-L132 HydrophobicContact CD2-CG 4.05Å; L108-F138 HydrophobicContact CD2-CE2 4.11Å; L108-F138 HydrophobicContact CD2-CZ 4.24Å
109	I	95.9	Very high	95.1	Very high	53 Å²	53	31.4 Å²	31.4	27%	0.272	15%	0.15	S	C	.	.	H	α-helix	trans	-72.9	-43	177.3	-60.5	-173.7	0	0	0	110.6	E79 A83 P106 A107 S111 A112 L113	E79-I109 HydrophobicContact CG-CD1 3.31Å; E79-I109 HydrophobicContact CG-CG1 4.23Å; E79-I109 WeakPolarHBondContact OE1-CD1 3.45Å; A83-I109 HydrophobicContact CB-CG2 3.67Å; P106-I109 PolarHBondContact O-N 3.27Å; A107-I109 PolarHBondContact O-N 3.14Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 2.79Å; I109-A112 WeakPolarHBondContact O-CB 3.25Å; I109-A112 PolarHBondContact O-N 3.41Å; I109-A112 VanDerWaalsContact O-N 3.12Å; I109-L113 HydrophobicContact CG2-CD1 4.15Å; I109-L113 HydrophobicContact CG2-CG 4.45Å; I109-L113 WeakPolarHBondContact O-CG 3.47Å; I109-L113 PolarHBondContact O-N 3.2Å
110	S	96.9	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-39.5	-178.4	-53.7	0	0	0	0	111.3	T86 P101 P106 A107 L113 A114	T86-S110 WeakPolarHBondContact OG1-CB 3.38Å; T86-S110 PolarHBondContact OG1-OG 3.34Å; P101-S110 WeakPolarHBondContact CG-OG 3.38Å; P106-S110 VanDerWaalsContact O-CB 3.31Å; P106-S110 WeakPolarHBondContact O-CB 3.44Å; P106-S110 PolarHBondContact O-N 3.35Å; P106-S110 PolarHBondContact O-OG 3.07Å; A107-S110 PolarHBondContact O-N 3.49Å; S110-L113 PolarHBondContact O-N 3.06Å; S110-A114 VanDerWaalsContact O-CB 3.32Å; S110-A114 WeakPolarHBondContact O-CB 3.5Å; S110-A114 PolarHBondContact O-N 3.31Å
111	S	96.4	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-35.9	172.9	-77.6	0	0	0	0	113.8	A107 I109 T115 E123 L132 T141	A107-S111 WeakPolarHBondContact O-CB 3.44Å; A107-S111 PolarHBondContact O-N 3.17Å; A107-S111 PolarHBondContact O-OG 2.86Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 2.79Å; S111-T115 WeakPolarHBondContact O-CB 3.45Å; S111-T115 PolarHBondContact O-N 3.39Å; S111-T115 PolarHBondContact O-OG1 2.71Å; S111-E123 PolarHBondContact OG-OE1 3.42Å; S111-E123 VanDerWaalsContact OG-OE1 3.1Å; S111-L132 WeakPolarHBondContact OG-CD2 3.29Å; S111-T141 WeakPolarHBondContact CB-OG1 3.42Å; S111-T141 WeakPolarHBondContact OG-CG2 3.26Å; S111-T141 PolarHBondContact OG-OG1 3.46Å
112	A	96.9	Very high	95	Very high	49 Å²	49	31.4 Å²	31.4	41%	0.405	15%	0.15	S	C	.	.	H	α-helix	trans	-65.6	-42.1	172.8	0	0	0	0	0	111.6	L108 I109 Y116 F138	L108-A112 PolarHBondContact O-N 3.45Å; I109-A112 WeakPolarHBondContact O-CB 3.25Å; I109-A112 PolarHBondContact O-N 3.41Å; I109-A112 VanDerWaalsContact O-N 3.12Å; A112-Y116 PolarHBondContact O-N 3.19Å; A112-Y116 VanDerWaalsContact O-N 3.08Å; A112-F138 HydrophobicContact CB-CE1 4.05Å
113	L	96.8	Very high	95.1	Very high	42 Å²	42	31.4 Å²	31.4	22%	0.22	15%	0.15	C	C	.	.	H	α-helix	trans	-66.1	-47.3	175.6	-67.7	170.5	0	0	0	111.3	T86 V87 L90 I109 S110 T115 Y116 Y117	T86-L113 HydrophobicContact CG2-CB 4.14Å; T86-L113 HydrophobicContact CG2-CD1 3.99Å; V87-L113 HydrophobicContact CG2-CD1 3.89Å; V87-L113 HydrophobicContact CG2-CD2 4.48Å; L90-L113 HydrophobicContact CD1-CB 4.11Å; I109-L113 HydrophobicContact CG2-CD1 4.15Å; I109-L113 HydrophobicContact CG2-CG 4.45Å; I109-L113 WeakPolarHBondContact O-CG 3.47Å; I109-L113 PolarHBondContact O-N 3.2Å; S110-L113 PolarHBondContact O-N 3.06Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3.01Å; L113-Y116 WeakPolarHBondContact O-CB 3.38Å; L113-Y116 PolarHBondContact O-N 2.72Å; L113-Y117 VanDerWaalsContact O-CD2 3.27Å; L113-Y117 WeakPolarHBondContact O-CD2 3.39Å; L113-Y117 PolarHBondContact O-N 3.49Å
114	A	95.8	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-41.6	176.6	0	0	0	0	0	111.7	S110 Y116 Y117 N118 I119 I121	S110-A114 VanDerWaalsContact O-CB 3.32Å; S110-A114 WeakPolarHBondContact O-CB 3.5Å; S110-A114 PolarHBondContact O-N 3.31Å; A114-Y116 PolarHBondContact O-N 3.31Å; A114-Y117 CarbonylContact O-C 3.46Å; A114-Y117 PolarHBondContact O-N 3.33Å; A114-N118 CarbonylContact O-C 3.52Å; A114-N118 WeakPolarHBondContact O-CA 3.44Å; A114-N118 PolarHBondContact O-N 3Å; A114-I119 WeakPolarHBondContact CB-O 3.39Å; A114-I119 PolarHBondContact O-N 3Å; A114-I121 HydrophobicContact CB-CB 3.87Å; A114-I121 HydrophobicContact CB-CD1 4.28Å; A114-I121 HydrophobicContact CB-CG2 3.66Å
115	T	95.8	Very high	95.1	Very high	39 Å²	39	30.5 Å²	30.5	24%	0.239	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-42	173.9	-64.2	0	0	0	0	112.3	S111 L113 N118 P139 T140	S111-T115 WeakPolarHBondContact O-CB 3.45Å; S111-T115 PolarHBondContact O-N 3.39Å; S111-T115 PolarHBondContact O-OG1 2.71Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3.01Å; T115-N118 PolarHBondContact O-N 3.42Å; T115-P139 HydrophobicContact CG2-CG 3.98Å; T115-T140 VanDerWaalsContact CA-OG1 3.31Å; T115-T140 WeakPolarHBondContact CA-OG1 3.35Å; T115-T140 PolarHBondContact N-OG1 2.93Å; T115-T140 PolarHBondContact OG1-OG1 3.27Å
116	Y	96.4	Very high	95	Very high	183 Å²	183	26.5 Å²	26.5	72%	0.718	13%	0.132	S	C	*	.	H	α-helix	trans	-62	-43.1	177.6	176.7	-96.6	0	0	0	112.5	A112 L113 A114 N118	A112-Y116 PolarHBondContact O-N 3.19Å; A112-Y116 VanDerWaalsContact O-N 3.08Å; L113-Y116 WeakPolarHBondContact O-CB 3.38Å; L113-Y116 PolarHBondContact O-N 2.72Å; A114-Y116 PolarHBondContact O-N 3.31Å; Y116-N118 VanDerWaalsContact C-N 3.29Å
117	Y	95.9	Very high	94.8	Very high	79 Å²	79	26.6 Å²	26.6	31%	0.31	13%	0.132	S	C	.	.	H	α-helix	trans	-84.5	-2.8	177	-67.8	-77.5	0	0	0	113.8	L90 E91 L113 A114 I119	L90-Y117 HydrophobicContact CB-CD2 4.49Å; L90-Y117 HydrophobicContact CD1-CD2 3.71Å; L90-Y117 HydrophobicContact CD1-CE2 4.05Å; E91-Y117 WeakPolarHBondContact OE1-CE1 3.46Å; E91-Y117 VanDerWaalsContact OE1-CZ 3.3Å; E91-Y117 PolarHBondContact OE1-OH 3.28Å; L113-Y117 VanDerWaalsContact O-CD2 3.27Å; L113-Y117 WeakPolarHBondContact O-CD2 3.39Å; L113-Y117 PolarHBondContact O-N 3.49Å; A114-Y117 CarbonylContact O-C 3.46Å; A114-Y117 PolarHBondContact O-N 3.33Å; Y117-I119 VanDerWaalsContact C-N 3.35Å; Y117-I119 PolarHBondContact O-N 3.38Å
118	N	96.4	Very high	94.4	Very high	48 Å²	48	27.1 Å²	27.1	26%	0.257	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	46.7	-173.4	-173.8	31.7	0	0	0	113.3	A114 T115 Y116 T140 N381 G382 T383	A114-N118 CarbonylContact O-C 3.52Å; A114-N118 WeakPolarHBondContact O-CA 3.44Å; A114-N118 PolarHBondContact O-N 3Å; T115-N118 PolarHBondContact O-N 3.42Å; Y116-N118 VanDerWaalsContact C-N 3.29Å; N118-T140 VanDerWaalsContact OD1-CG2 3.32Å; N118-T140 WeakPolarHBondContact OD1-CG2 2.91Å; N118-N381 VanDerWaalsContact ND2-CG 3.25Å; N118-N381 PolarHBondContact ND2-OD1 3.36Å; N118-G382 PolarHBondContact O-N 2.95Å; N118-T383 WeakPolarHBondContact OD1-CB 3.36Å; N118-T383 PolarHBondContact OD1-N 3.36Å; N118-T383 PolarHBondContact OD1-OG1 3.33Å
119	I	95.8	Very high	94.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.			trans	-109.4	136.5	178.9	-74.8	162.4	0	0	0	108.8	L90 A114 Y117 T140 R380	L90-I119 HydrophobicContact CD2-CB 4.18Å; L90-I119 HydrophobicContact CD2-CD1 3.39Å; L90-I119 HydrophobicContact CD2-CG1 4.38Å; L90-I119 HydrophobicContact CD2-CG2 4.08Å; A114-I119 WeakPolarHBondContact CB-O 3.39Å; A114-I119 PolarHBondContact O-N 3Å; Y117-I119 VanDerWaalsContact C-N 3.35Å; Y117-I119 PolarHBondContact O-N 3.38Å; I119-T140 WeakPolarHBondContact O-CB 2.81Å; I119-T140 PolarHBondContact O-OG1 3.09Å; I119-R380 HydrophobicContact CD1-CG 4.2Å; I119-R380 HydrophobicContact CG1-CG 3.71Å
120	P	95.6	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.			trans	-68.6	135.7	-180	28.5	-32.5	0	0	0	111.3	D96 V97 I98 F122 T140 Y363 G382 I385	D96-P120 WeakPolarHBondContact O-CD 3.45Å; V97-P120 WeakPolarHBondContact CA-O 3.36Å; V97-P120 HydrophobicContact CB-CG 3.99Å; V97-P120 HydrophobicContact CG2-CB 4.35Å; V97-P120 HydrophobicContact CG2-CG 3.95Å; I98-P120 PolarHBondContact N-O 3.44Å; P120-F122 HydrophobicContact CB-CE2 3.94Å; P120-T140 WeakPolarHBondContact CA-O 3.41Å; P120-Y363 HydrophobicContact CG-CE2 4.19Å; P120-G382 VanDerWaalsContact CD-CA 3.44Å; P120-I385 HydrophobicContact CG-CD1 3.98Å
121	I	95.8	Very high	93.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.2	174.6	-170.6	166.5	0	0	0	110.3	I98 G100 A114 E123 T140 T141 L142	I98-I121 HydrophobicContact CB-CB 4.4Å; I98-I121 HydrophobicContact CB-CD1 4.29Å; I98-I121 HydrophobicContact CB-CG1 3.98Å; I98-I121 HydrophobicContact CG2-CD1 4.04Å; I98-I121 HydrophobicContact CG2-CG1 4.02Å; I98-I121 CarbonylContact O-C 3.58Å; I98-I121 VanDerWaalsContact O-CA 3.29Å; I98-I121 WeakPolarHBondContact O-CA 3.25Å; G100-I121 WeakPolarHBondContact O-CD1 3.4Å; G100-I121 WeakPolarHBondContact O-CG1 3.47Å; A114-I121 HydrophobicContact CB-CB 3.87Å; A114-I121 HydrophobicContact CB-CD1 4.28Å; A114-I121 HydrophobicContact CB-CG2 3.66Å; I121-E123 WeakPolarHBondContact CD1-OE1 3.45Å; I121-T140 PolarHBondContact N-O 2.92Å; I121-T141 HydrophobicContact CG2-CG2 4.08Å; I121-T141 WeakPolarHBondContact CG2-OG1 3.36Å; I121-T141 CarbonylContact O-C 3.56Å; I121-T141 WeakPolarHBondContact O-CA 3.29Å; I121-L142 PolarHBondContact O-N 3.25Å
122	F	95.2	Very high	93.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.2	-177.5	-70.2	-98.5	0	0	0	109.6	V97 I98 F99 G100 P120 L142 F144 A359 Y363 L386 I389	V97-F122 HydrophobicContact CG2-CD2 3.76Å; V97-F122 HydrophobicContact CG2-CE2 3.85Å; I98-F122 PolarHBondContact O-N 3.29Å; F99-F122 CarbonylContact C-O 3.44Å; F99-F122 VanDerWaalsContact CA-O 3.29Å; F99-F122 WeakPolarHBondContact CA-O 3.35Å; F99-F122 HydrophobicContact CD1-CB 3.42Å; F99-F122 VanDerWaalsContact CD1-CB 3.42Å; F99-F122 HydrophobicContact CD1-CD2 4.39Å; F99-F122 HydrophobicContact CD1-CG 4.07Å; F99-F122 HydrophobicContact CE1-CB 3.53Å; F99-F122 HydrophobicContact CE1-CD1 4.31Å; F99-F122 AromaticContact CE1-CD2 3.8Å; F99-F122 HydrophobicContact CE1-CD2 3.8Å; F99-F122 AromaticContact CE1-CG 3.64Å; F99-F122 HydrophobicContact CE1-CG 3.64Å; F99-F122 HydrophobicContact CG-CB 4.22Å; F99-F122 HydrophobicContact CZ-CB 4.45Å; F99-F122 AromaticContact CZ-CD2 3.96Å; F99-F122 HydrophobicContact CZ-CD2 3.96Å; F99-F122 HydrophobicContact CZ-CE2 4.48Å; F99-F122 HydrophobicContact CZ-CG 4.26Å; G100-F122 PolarHBondContact N-O 3.07Å; P120-F122 HydrophobicContact CB-CE2 3.94Å; F122-L142 WeakPolarHBondContact CA-O 3.39Å; F122-L142 HydrophobicContact CD1-CB 4.14Å; F122-L142 HydrophobicContact CD1-CD2 4.18Å; F122-L142 HydrophobicContact CE1-CB 4.28Å; F122-L142 HydrophobicContact CE1-CD2 3.85Å; F122-F144 HydrophobicContact CD1-CD2 4.31Å; F122-F144 AromaticContact CD1-CE2 3.83Å; F122-F144 HydrophobicContact CD1-CE2 3.83Å; F122-F144 HydrophobicContact CE1-CE2 4.27Å; F122-A359 HydrophobicContact CB-CB 4.26Å; F122-A359 HydrophobicContact CD1-CB 4.39Å; F122-Y363 AromaticContact CE2-CD2 3.59Å; F122-Y363 HydrophobicContact CE2-CD2 3.59Å; F122-Y363 HydrophobicContact CE2-CG 4.11Å; F122-Y363 AromaticContact CZ-CD2 3.95Å; F122-Y363 HydrophobicContact CZ-CD2 3.95Å; F122-Y363 HydrophobicContact CZ-CG 4.34Å; F122-L386 HydrophobicContact CE1-CD2 4.4Å; F122-L386 HydrophobicContact CZ-CD2 4.02Å; F122-I389 HydrophobicContact CE1-CD1 3.98Å; F122-I389 HydrophobicContact CZ-CD1 4.1Å
123	E	94.3	Very high	92.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137	-175.4	-55.8	-68.4	-177.2	0	0	109.6	P101 A107 S111 I121 T127 L132 T141 L142 P143 F144	P101-E123 WeakPolarHBondContact CD-OE2 3.44Å; P101-E123 VanDerWaalsContact N-OE2 3.15Å; A107-E123 HydrophobicContact CB-CG 4.37Å; S111-E123 PolarHBondContact OG-OE1 3.42Å; S111-E123 VanDerWaalsContact OG-OE1 3.1Å; I121-E123 WeakPolarHBondContact CD1-OE1 3.45Å; E123-T127 HydrophobicContact CB-CG2 4.05Å; E123-L132 HydrophobicContact CG-CD1 4.33Å; E123-T141 HydrophobicContact CG-CG2 3.97Å; E123-L142 PolarHBondContact N-O 3.26Å; E123-P143 HydrophobicContact CB-CB 4.28Å; E123-F144 PolarHBondContact O-N 3.36Å
124	W	92.7	Very high	92.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.151	C	C	.	.			trans	-145.2	163.9	-179	67.4	-77.4	0	0	0	110.1	F30 I41 T102 Q355 L356	F30-W124 AromaticContact CD1-CH2 3.93Å; F30-W124 HydrophobicContact CD1-CH2 3.93Å; F30-W124 AromaticContact CD1-CZ2 3.54Å; F30-W124 HydrophobicContact CD1-CZ2 3.54Å; F30-W124 AromaticContact CE1-CH2 3.79Å; F30-W124 HydrophobicContact CE1-CH2 3.79Å; F30-W124 AromaticContact CE1-CZ2 3.35Å; F30-W124 HydrophobicContact CE1-CZ2 3.35Å; F30-W124 HydrophobicContact CZ-CZ2 4.46Å; I41-W124 HydrophobicContact CG2-CZ3 4.27Å; T102-W124 WeakPolarHBondContact CA-O 3.47Å; T102-W124 HydrophobicContact CG2-CD2 4.01Å; T102-W124 VanDerWaalsContact CG2-CE2 3.43Å; T102-W124 HydrophobicContact CG2-CE3 4.38Å; T102-W124 HydrophobicContact CG2-CH2 3.72Å; T102-W124 HydrophobicContact CG2-CZ2 3.26Å; T102-W124 HydrophobicContact CG2-CZ3 4.27Å; W124-Q355 HydrophobicContact CB-CB 4.1Å; W124-L356 HydrophobicContact CD2-CB 3.72Å; W124-L356 HydrophobicContact CD2-CD1 4.39Å; W124-L356 HydrophobicContact CD2-CG 4.45Å; W124-L356 HydrophobicContact CE3-CB 3.83Å; W124-L356 HydrophobicContact CG-CB 4.15Å; W124-L356 HydrophobicContact CG-CD1 4.42Å; W124-L356 HydrophobicContact CH2-CD2 4.15Å; W124-L356 HydrophobicContact CZ2-CB 4.41Å; W124-L356 HydrophobicContact CZ2-CD2 3.84Å; W124-L356 HydrophobicContact CZ3-CB 4.23Å
125	G	90.2	Very high	92	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.021	17%	0.169	C	C	.	.	S	Bend	trans	86	-129.3	-179.6	0	0	0	0	0	113.3	T127 S145	G125-T127 VanDerWaalsContact C-N 3.26Å; G125-T127 PolarHBondContact O-N 2.93Å; G125-S145 PolarHBondContact N-OG 2.76Å; G125-S145 VanDerWaalsContact O-CB 3.28Å; G125-S145 WeakPolarHBondContact O-CB 3.24Å; G125-S145 PolarHBondContact O-OG 2.96Å
126	L	88.3	Confident	91.7	Very high	29 Å²	29	42.9 Å²	42.9	15%	0.152	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-90.6	29.2	-172.8	-60.4	176.1	0	0	0	113.2	L37 I41 T102 S104 S128 N263 Y352	L37-L126 HydrophobicContact CD2-CD1 3.68Å; I41-L126 HydrophobicContact CD1-CD1 3.87Å; I41-L126 HydrophobicContact CD1-CG 4.21Å; I41-L126 HydrophobicContact CG1-CD1 4.41Å; I41-L126 HydrophobicContact CG2-CG 4.31Å; T102-L126 CarbonylContact O-C 3.54Å; T102-L126 WeakPolarHBondContact O-CA 3.36Å; T102-L126 WeakPolarHBondContact O-CB 3.38Å; T102-L126 PolarHBondContact O-N 2.7Å; S104-L126 PolarHBondContact OG-O 2.81Å; L126-S128 VanDerWaalsContact C-N 3.3Å; L126-S128 PolarHBondContact O-N 2.97Å; L126-N263 HydrophobicContact CD2-CB 3.63Å; L126-Y352 HydrophobicContact CD2-CD2 4.41Å; L126-Y352 HydrophobicContact CD2-CE2 3.48Å; L126-Y352 VanDerWaalsContact CD2-CE2 3.48Å; L126-Y352 HydrophobicContact CG-CE2 4.17Å
127	T	89.2	Confident	91.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	19%	0.187	C	C	.	.			trans	-83.1	72.7	175.2	56	0	0	0	0	110.6	P101 A107 E123 G125 S145	P101-T127 VanDerWaalsContact O-CG2 3.26Å; P101-T127 WeakPolarHBondContact O-CG2 3.44Å; A107-T127 HydrophobicContact CB-CG2 3.9Å; E123-T127 HydrophobicContact CB-CG2 4.05Å; G125-T127 VanDerWaalsContact C-N 3.26Å; G125-T127 PolarHBondContact O-N 2.93Å; T127-S145 PolarHBondContact OG1-OG 2.83Å
128	S	87	Confident	91.5	Very high	12 Å²	12	36.5 Å²	36.5	8%	0.084	17%	0.173	C	C	.	.			trans	-86.5	-7.2	-174.5	64.2	0	0	0	0	114.9	S104 L126 R130 N147 S148	S104-S128 PolarHBondContact OG-N 3.3Å; L126-S128 VanDerWaalsContact C-N 3.3Å; L126-S128 PolarHBondContact O-N 2.97Å; S128-R130 PolarHBondContact O-N 3.33Å; S128-N147 CarbonylContact O-C 3.51Å; S128-N147 WeakPolarHBondContact O-CA 3.38Å; S128-N147 WeakPolarHBondContact O-CB 3.34Å; S128-S148 PolarHBondContact O-N 2.75Å; S128-S148 PolarHBondContact O-OG 2.79Å
129	T	88.7	Confident	91.3	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.067	17%	0.173	C	C	.	.			trans	-70.5	129.4	-175.8	-175.2	0	0	0	0	112.3	S104 L108 Q131 L132	S104-T129 PolarHBondContact OG-N 3.39Å; S104-T129 VanDerWaalsContact OG-N 3.13Å; L108-T129 HydrophobicContact CD1-CG2 4.31Å; L108-T129 HydrophobicContact CD2-CG2 4.01Å; L108-T129 HydrophobicContact CG-CG2 4.09Å; T129-Q131 PolarHBondContact O-N 2.98Å; T129-L132 HydrophobicContact CG2-CD1 3.55Å; T129-L132 HydrophobicContact CG2-CG 3.7Å
130	R	88.3	Confident	91.3	Very high	76 Å²	76	36.1 Å²	36.1	29%	0.287	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-59.2	-30.2	175.6	-175.9	-166.1	-178.7	168.9	0.8	112.7	S128 L132 T133 Y149 D186	S128-R130 PolarHBondContact O-N 3.33Å; R130-L132 PolarHBondContact O-N 2.97Å; R130-T133 PolarHBondContact O-N 3.16Å; R130-T133 PolarHBondContact O-OG1 2.57Å; R130-Y149 HydrophobicContact CG-CG 4.22Å; R130-D186 WeakPolarHBondContact CD-OD1 3.49Å; R130-D186 IonicContact NH1-OD1 3.97Å
131	Q	89.4	Confident	91.2	Very high	92 Å²	92	36.5 Å²	36.5	43%	0.43	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-58.2	-27.8	-172.9	-67.1	-177	36.1	0	0	113.5	L108 T129 T133 D134 F138	L108-Q131 HydrophobicContact CD2-CB 3.73Å; T129-Q131 PolarHBondContact O-N 2.98Å; Q131-T133 PolarHBondContact O-N 2.69Å; Q131-D134 WeakPolarHBondContact O-CB 3.45Å; Q131-D134 PolarHBondContact O-N 3.47Å; Q131-F138 WeakPolarHBondContact O-CD2 3.31Å; Q131-F138 WeakPolarHBondContact O-CE2 3.29Å
132	L	90.4	Very high	91.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-69.7	-15.5	177.7	-67	166.8	0	0	0	113.4	A107 L108 S111 E123 T129 R130 D134 F138 T141 P143	A107-L132 HydrophobicContact CB-CD1 3.83Å; A107-L132 HydrophobicContact CB-CD2 4.39Å; L108-L132 HydrophobicContact CD2-CD2 3.94Å; L108-L132 HydrophobicContact CD2-CG 4.05Å; S111-L132 WeakPolarHBondContact OG-CD2 3.29Å; E123-L132 HydrophobicContact CG-CD1 4.33Å; T129-L132 HydrophobicContact CG2-CD1 3.55Å; T129-L132 HydrophobicContact CG2-CG 3.7Å; R130-L132 PolarHBondContact O-N 2.97Å; L132-D134 VanDerWaalsContact C-N 3.34Å; L132-F138 HydrophobicContact CD2-CE2 4.43Å; L132-T141 HydrophobicContact CB-CG2 4.35Å; L132-T141 HydrophobicContact CD2-CG2 4.08Å; L132-P143 HydrophobicContact CB-CG 4.36Å
133	T	88.6	Confident	90.9	Very high	32 Å²	32	37.2 Å²	37.2	20%	0.196	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-87.1	-1.5	174.9	63	0	0	0	0	113.6	R130 Q131 V135 P143 N147 S407 A408	R130-T133 PolarHBondContact O-N 3.16Å; R130-T133 PolarHBondContact O-OG1 2.57Å; Q131-T133 PolarHBondContact O-N 2.69Å; T133-V135 PolarHBondContact O-N 2.74Å; T133-P143 HydrophobicContact CG2-CG 3.75Å; T133-N147 WeakPolarHBondContact CG2-ND2 3.44Å; T133-S407 WeakPolarHBondContact CB-O 3.42Å; T133-A408 HydrophobicContact CG2-CB 4.17Å
134	D	89.7	Confident	90.7	Very high	74 Å²	74	37.2 Å²	37.2	40%	0.396	18%	0.179	S	C	.	.			trans	-77.1	90.1	174.8	-175.4	-8.2	0	0	0	110.2	Q131 L132 K136 R137 F138	Q131-D134 WeakPolarHBondContact O-CB 3.45Å; Q131-D134 PolarHBondContact O-N 3.47Å; L132-D134 VanDerWaalsContact C-N 3.34Å; D134-K136 PolarHBondContact O-N 3.16Å; D134-K136 VanDerWaalsContact O-N 3.1Å; D134-K136 WeakPolarHBondContact OD1-CB 3.2Å; D134-K136 PolarHBondContact OD1-N 2.94Å; D134-R137 HydrophobicContact CB-CB 3.99Å; D134-R137 PolarHBondContact O-N 3.09Å; D134-R137 PolarHBondContact OD1-N 3.17Å; D134-F138 PolarHBondContact O-N 3.35Å
135	V	88.1	Confident	90.5	Very high	62 Å²	62	37.4 Å²	37.4	38%	0.376	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25	179.5	-177.7	0	0	0	0	112.5	T133 P139 D406	T133-V135 PolarHBondContact O-N 2.74Å; V135-P139 VanDerWaalsContact O-CA 3.26Å; V135-P139 WeakPolarHBondContact O-CA 3.47Å; V135-P139 WeakPolarHBondContact O-CB 3.32Å; V135-D406 VanDerWaalsContact CG2-O 3.24Å; V135-D406 WeakPolarHBondContact CG2-O 3.46Å
136	K	90.6	Very high	90.4	Very high	198 Å²	198	37.4 Å²	37.4	86%	0.861	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-36.4	176.1	-63.6	179.5	179.7	173.4	0	111.5	D134	D134-K136 PolarHBondContact O-N 3.16Å; D134-K136 VanDerWaalsContact O-N 3.1Å; D134-K136 WeakPolarHBondContact OD1-CB 3.2Å; D134-K136 PolarHBondContact OD1-N 2.94Å
137	R	93.3	Very high	90.4	Very high	125 Å²	125	36.5 Å²	36.5	47%	0.472	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-38.6	178.5	-172.9	176.5	176.6	-166.1	-5.5	111.9	D134	D134-R137 HydrophobicContact CB-CB 3.99Å; D134-R137 PolarHBondContact O-N 3.09Å; D134-R137 PolarHBondContact OD1-N 3.17Å
138	F	93.8	Very high	90.5	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.018	18%	0.177	C	C	.	.			trans	-130.1	67.9	-174.6	-55.2	-60.6	0	0	0	111.8	L108 A112 Q131 L132 D134 T140 T141	L108-F138 HydrophobicContact CD2-CE2 4.11Å; L108-F138 HydrophobicContact CD2-CZ 4.24Å; A112-F138 HydrophobicContact CB-CE1 4.05Å; Q131-F138 WeakPolarHBondContact O-CD2 3.31Å; Q131-F138 WeakPolarHBondContact O-CE2 3.29Å; L132-F138 HydrophobicContact CD2-CE2 4.43Å; D134-F138 PolarHBondContact O-N 3.35Å; F138-T140 PolarHBondContact O-N 3.11Å; F138-T141 PolarHBondContact O-N 3.43Å; F138-T141 VanDerWaalsContact O-N 3.14Å
139	P	93	Very high	90.7	Very high	40 Å²	40	37.1 Å²	37.1	26%	0.26	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-3.2	-176	29.1	-38	0	0	0	115	T115 V135	T115-P139 HydrophobicContact CG2-CG 3.98Å; V135-P139 VanDerWaalsContact O-CA 3.26Å; V135-P139 WeakPolarHBondContact O-CA 3.47Å; V135-P139 WeakPolarHBondContact O-CB 3.32Å
140	T	94.4	Very high	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	2.9	179.8	59.6	0	0	0	0	113	T115 N118 I119 P120 I121 F138	T115-T140 VanDerWaalsContact CA-OG1 3.31Å; T115-T140 WeakPolarHBondContact CA-OG1 3.35Å; T115-T140 PolarHBondContact N-OG1 2.93Å; T115-T140 PolarHBondContact OG1-OG1 3.27Å; N118-T140 VanDerWaalsContact OD1-CG2 3.32Å; N118-T140 WeakPolarHBondContact OD1-CG2 2.91Å; I119-T140 WeakPolarHBondContact O-CB 2.81Å; I119-T140 PolarHBondContact O-OG1 3.09Å; P120-T140 WeakPolarHBondContact CA-O 3.41Å; I121-T140 PolarHBondContact N-O 2.92Å; F138-T140 PolarHBondContact O-N 3.11Å
141	T	94.5	Very high	91	Very high	8 Å²	8	33.6 Å²	33.6	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.8	-178.1	-61.8	0	0	0	0	110.6	S111 I121 E123 L132 F138	S111-T141 WeakPolarHBondContact CB-OG1 3.42Å; S111-T141 WeakPolarHBondContact OG-CG2 3.26Å; S111-T141 PolarHBondContact OG-OG1 3.46Å; I121-T141 HydrophobicContact CG2-CG2 4.08Å; I121-T141 WeakPolarHBondContact CG2-OG1 3.36Å; I121-T141 CarbonylContact O-C 3.56Å; I121-T141 WeakPolarHBondContact O-CA 3.29Å; E123-T141 HydrophobicContact CG-CG2 3.97Å; L132-T141 HydrophobicContact CB-CG2 4.35Å; L132-T141 HydrophobicContact CD2-CG2 4.08Å; F138-T141 PolarHBondContact O-N 3.43Å; F138-T141 VanDerWaalsContact O-N 3.14Å
142	L	92.8	Very high	91.3	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	109.8	171.3	-176	64.8	0	0	0	111.4	I121 F122 E123 F144 L386 I389 V403	I121-L142 PolarHBondContact O-N 3.25Å; F122-L142 WeakPolarHBondContact CA-O 3.39Å; F122-L142 HydrophobicContact CD1-CB 4.14Å; F122-L142 HydrophobicContact CD1-CD2 4.18Å; F122-L142 HydrophobicContact CE1-CB 4.28Å; F122-L142 HydrophobicContact CE1-CD2 3.85Å; E123-L142 PolarHBondContact N-O 3.26Å; L142-F144 HydrophobicContact CD2-CD2 4.4Å; L142-F144 HydrophobicContact CD2-CE2 3.62Å; L142-F144 HydrophobicContact CD2-CZ 4.41Å; L142-F144 HydrophobicContact CG-CD2 4.32Å; L142-F144 HydrophobicContact CG-CE2 4.01Å; L142-L386 HydrophobicContact CB-CD1 4.28Å; L142-L386 HydrophobicContact CB-CD2 4.2Å; L142-L386 HydrophobicContact CD2-CD2 4.5Å; L142-I389 HydrophobicContact CD2-CD1 4.44Å; L142-I389 HydrophobicContact CD2-CG1 3.59Å; L142-I389 HydrophobicContact CD2-CG2 4.34Å; L142-V403 HydrophobicContact CD1-CG1 4.35Å; L142-V403 HydrophobicContact CD2-CG1 3.65Å
143	P	91.4	Very high	91.4	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.032	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.8	173.5	30.7	-31.7	0	0	0	112.1	E123 L132 T133 A408	E123-P143 HydrophobicContact CB-CB 4.28Å; L132-P143 HydrophobicContact CB-CG 4.36Å; T133-P143 HydrophobicContact CG2-CG 3.75Å; P143-A408 HydrophobicContact CG-CB 4.23Å
144	F	90.7	Very high	91.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.135	C	C	.	.			trans	-91.9	-16.5	170.9	-89.9	-112.5	0	0	0	112.6	F122 E123 L142 Q355 D358 A359 A362 F393 V403 R409	F122-F144 HydrophobicContact CD1-CD2 4.31Å; F122-F144 AromaticContact CD1-CE2 3.83Å; F122-F144 HydrophobicContact CD1-CE2 3.83Å; F122-F144 HydrophobicContact CE1-CE2 4.27Å; E123-F144 PolarHBondContact O-N 3.36Å; L142-F144 HydrophobicContact CD2-CD2 4.4Å; L142-F144 HydrophobicContact CD2-CE2 3.62Å; L142-F144 HydrophobicContact CD2-CZ 4.41Å; L142-F144 HydrophobicContact CG-CD2 4.32Å; L142-F144 HydrophobicContact CG-CE2 4.01Å; F144-Q355 HydrophobicContact CB-CB 4.44Å; F144-D358 HydrophobicContact CD1-CB 4.21Å; F144-D358 HydrophobicContact CE1-CB 4.13Å; F144-A359 HydrophobicContact CB-CB 4.48Å; F144-A359 HydrophobicContact CD1-CB 3.98Å; F144-A359 HydrophobicContact CD2-CB 3.7Å; F144-A359 HydrophobicContact CE1-CB 4.16Å; F144-A359 HydrophobicContact CE2-CB 3.89Å; F144-A359 HydrophobicContact CG-CB 3.77Å; F144-A359 HydrophobicContact CZ-CB 4.14Å; F144-A362 HydrophobicContact CE1-CB 4.37Å; F144-A362 HydrophobicContact CZ-CB 3.66Å; F144-F393 HydrophobicContact CE1-CZ 4.48Å; F144-V403 HydrophobicContact CE1-CG2 4.24Å; F144-V403 HydrophobicContact CZ-CG2 3.85Å; F144-R409 PolarHBondContact O-NE 3.11Å; F144-R409 PolarHBondContact O-NH2 2.72Å; F144-R409 VanDerWaalsContact O-NH2 3.1Å
145	S	88.1	Confident	92	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.028	12%	0.117	C	C	.	.	S	Bend	trans	-77.7	149	177.7	-55.4	0	0	0	0	112.9	G125 T127 N147 Q355	G125-S145 PolarHBondContact N-OG 2.76Å; G125-S145 VanDerWaalsContact O-CB 3.28Å; G125-S145 WeakPolarHBondContact O-CB 3.24Å; G125-S145 PolarHBondContact O-OG 2.96Å; T127-S145 PolarHBondContact OG1-OG 2.83Å; S145-N147 PolarHBondContact O-N 2.92Å; S145-Q355 PolarHBondContact OG-OE1 2.95Å; S145-Q355 VanDerWaalsContact OG-OE1 3.06Å
146	V	88.3	Confident	92.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-64.6	130.1	167.4	174.7	0	0	0	0	109.6	L151 T262 D307 I413	V146-L151 HydrophobicContact CG1-CD2 4.23Å; V146-L151 HydrophobicContact CG1-CG 4.14Å; V146-T262 WeakPolarHBondContact O-CG2 3.5Å; V146-D307 HydrophobicContact CB-CB 4.1Å; V146-D307 HydrophobicContact CG2-CB 3.72Å; V146-D307 WeakPolarHBondContact CG2-OD2 3.4Å; V146-I413 HydrophobicContact CG1-CD1 3.94Å; V146-I413 HydrophobicContact CG1-CG1 4.22Å
147	N	88.8	Confident	92.5	Very high	10 Å²	10	12.6 Å²	12.6	5%	0.053	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-96.2	164.7	178.2	62.8	48.4	0	0	0	112.8	S128 T133 S145 Y149 S150 L151	S128-N147 CarbonylContact O-C 3.51Å; S128-N147 WeakPolarHBondContact O-CA 3.38Å; S128-N147 WeakPolarHBondContact O-CB 3.34Å; T133-N147 WeakPolarHBondContact CG2-ND2 3.44Å; S145-N147 PolarHBondContact O-N 2.92Å; N147-Y149 PolarHBondContact O-N 3.24Å; N147-Y149 WeakPolarHBondContact OD1-CB 3.5Å; N147-Y149 PolarHBondContact OD1-N 3.42Å; N147-S150 WeakPolarHBondContact O-CB 3.47Å; N147-S150 PolarHBondContact O-N 3.4Å; N147-S150 VanDerWaalsContact O-N 3.13Å; N147-S150 WeakPolarHBondContact OD1-CB 3.28Å; N147-S150 PolarHBondContact OD1-N 3.14Å; N147-S150 PolarHBondContact OD1-OG 3.17Å; N147-L151 PolarHBondContact O-N 3.03Å; N147-L151 VanDerWaalsContact O-N 3.14Å
148	S	90.6	Very high	92.6	Very high	5 Å²	5	6.6 Å²	6.6	4%	0.035	4%	0.039	C	C	.	.	H	α-helix	trans	-60.1	-31.7	179.9	45.4	0	0	0	0	113.1	S128 L151 A152 D186	S128-S148 PolarHBondContact O-N 2.75Å; S128-S148 PolarHBondContact O-OG 2.79Å; S148-L151 PolarHBondContact O-N 2.91Å; S148-A152 WeakPolarHBondContact O-CB 3.35Å; S148-A152 PolarHBondContact O-N 2.75Å; S148-D186 WeakPolarHBondContact CB-OD2 3.47Å; S148-D186 PolarHBondContact OG-OD2 3.22Å
149	Y	91.2	Very high	92.7	Very high	20 Å²	20	6.5 Å²	6.5	8%	0.078	4%	0.039	C	C	.	.	H	α-helix	trans	-67.9	-39.6	175.3	-171.6	-104.6	0	0	0	112.4	R130 N147 L151 A152 M153 D186 V190	R130-Y149 HydrophobicContact CG-CG 4.22Å; N147-Y149 PolarHBondContact O-N 3.24Å; N147-Y149 WeakPolarHBondContact OD1-CB 3.5Å; N147-Y149 PolarHBondContact OD1-N 3.42Å; Y149-L151 VanDerWaalsContact C-N 3.33Å; Y149-A152 CarbonylContact O-C 3.59Å; Y149-A152 WeakPolarHBondContact O-CB 3.47Å; Y149-A152 PolarHBondContact O-N 3.28Å; Y149-A152 VanDerWaalsContact O-N 3.16Å; Y149-M153 HydrophobicContact CD1-CG 4.12Å; Y149-M153 HydrophobicContact CE1-CG 3.83Å; Y149-M153 HydrophobicContact CE1-SD 4.26Å; Y149-M153 WeakPolarHBondContact O-CG 3.35Å; Y149-M153 PolarHBondContact O-N 3.2Å; Y149-D186 HydrophobicContact CD2-CB 4.32Å; Y149-D186 PolarHBondContact N-OD2 3.08Å; Y149-V190 HydrophobicContact CD2-CG2 3.88Å; Y149-V190 HydrophobicContact CE2-CG2 3.39Å
150	S	91.6	Very high	92.7	Very high	9 Å²	9	9 Å²	9	6%	0.063	5%	0.046	C	C	.	.	H	α-helix	trans	-66	-38.5	176	-56.7	0	0	0	0	111	N147 M153 A154 I413	N147-S150 WeakPolarHBondContact O-CB 3.47Å; N147-S150 PolarHBondContact O-N 3.4Å; N147-S150 VanDerWaalsContact O-N 3.13Å; N147-S150 WeakPolarHBondContact OD1-CB 3.28Å; N147-S150 PolarHBondContact OD1-N 3.14Å; N147-S150 PolarHBondContact OD1-OG 3.17Å; S150-M153 PolarHBondContact O-N 3.3Å; S150-A154 WeakPolarHBondContact O-CB 3.23Å; S150-A154 PolarHBondContact O-N 3.04Å; S150-I413 WeakPolarHBondContact O-CD1 3.29Å
151	L	92.6	Very high	92.8	Very high	5 Å²	5	11.7 Å²	11.7	3%	0.026	6%	0.058	C	C	.	.	H	α-helix	trans	-63.2	-41.2	169.9	-70.7	179	0	0	0	112.2	V146 N147 S148 Y149 M153 A154 I155 L183 A260 T262 I413	V146-L151 HydrophobicContact CG1-CD2 4.23Å; V146-L151 HydrophobicContact CG1-CG 4.14Å; N147-L151 PolarHBondContact O-N 3.03Å; N147-L151 VanDerWaalsContact O-N 3.14Å; S148-L151 PolarHBondContact O-N 2.91Å; Y149-L151 VanDerWaalsContact C-N 3.33Å; L151-M153 VanDerWaalsContact C-N 3.35Å; L151-A154 WeakPolarHBondContact O-CB 3.42Å; L151-A154 PolarHBondContact O-N 2.96Å; L151-I155 WeakPolarHBondContact O-CG1 3.5Å; L151-I155 PolarHBondContact O-N 3.15Å; L151-L183 HydrophobicContact CB-CD1 3.82Å; L151-L183 HydrophobicContact CD1-CD1 4.48Å; L151-A260 HydrophobicContact CB-CB 4.14Å; L151-A260 HydrophobicContact CD1-CB 4.43Å; L151-A260 HydrophobicContact CD2-CB 4.19Å; L151-T262 HydrophobicContact CD1-CG2 3.56Å; L151-T262 HydrophobicContact CG-CG2 4.33Å; L151-I413 HydrophobicContact CD2-CD1 3.81Å; L151-I413 HydrophobicContact CD2-CG1 4.37Å; L151-I413 HydrophobicContact CG-CD1 4.46Å
152	A	94.2	Very high	92.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-63.4	-39.2	175	0	0	0	0	0	112.2	S148 Y149 I155 L156 D186 V187 V190	S148-A152 WeakPolarHBondContact O-CB 3.35Å; S148-A152 PolarHBondContact O-N 2.75Å; Y149-A152 CarbonylContact O-C 3.59Å; Y149-A152 WeakPolarHBondContact O-CB 3.47Å; Y149-A152 PolarHBondContact O-N 3.28Å; Y149-A152 VanDerWaalsContact O-N 3.16Å; A152-I155 WeakPolarHBondContact O-CB 3.45Å; A152-I155 PolarHBondContact O-N 3.38Å; A152-L156 PolarHBondContact O-N 3.23Å; A152-D186 HydrophobicContact CB-CB 4.03Å; A152-V187 HydrophobicContact CB-CG2 3.8Å; A152-V190 HydrophobicContact CB-CB 4.25Å; A152-V190 HydrophobicContact CB-CG2 3.7Å
153	M	93.4	Very high	92.8	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-66.1	-35.5	172.3	-70.6	-59.4	-63.3	0	0	112.2	Y149 S150 L151 L156 G157 V190 I432 Q435 V437	Y149-M153 HydrophobicContact CD1-CG 4.12Å; Y149-M153 HydrophobicContact CE1-CG 3.83Å; Y149-M153 HydrophobicContact CE1-SD 4.26Å; Y149-M153 WeakPolarHBondContact O-CG 3.35Å; Y149-M153 PolarHBondContact O-N 3.2Å; S150-M153 PolarHBondContact O-N 3.3Å; L151-M153 VanDerWaalsContact C-N 3.35Å; M153-L156 HydrophobicContact CE-CD2 3.71Å; M153-L156 WeakPolarHBondContact O-CB 3.3Å; M153-L156 PolarHBondContact O-N 3.42Å; M153-L156 HydrophobicContact SD-CD2 3.84Å; M153-G157 PolarHBondContact O-N 2.61Å; M153-V190 HydrophobicContact CG-CG2 4.34Å; M153-V190 HydrophobicContact SD-CG1 3.95Å; M153-V190 HydrophobicContact SD-CG2 3.84Å; M153-I432 HydrophobicContact CB-CG1 4.25Å; M153-I432 HydrophobicContact CB-CG2 4.05Å; M153-I432 HydrophobicContact CG-CG2 4.45Å; M153-Q435 VanDerWaalsContact CE-C 3.47Å; M153-Q435 WeakPolarHBondContact CE-O 3.37Å; M153-V437 HydrophobicContact CE-CB 4.44Å; M153-V437 HydrophobicContact CE-CG1 4.35Å
154	A	94.7	Very high	93	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.2	-39.6	173.2	0	0	0	0	0	112.2	S150 L151 L156 G157 T158 L305 I413 L430 I432	S150-A154 WeakPolarHBondContact O-CB 3.23Å; S150-A154 PolarHBondContact O-N 3.04Å; L151-A154 WeakPolarHBondContact O-CB 3.42Å; L151-A154 PolarHBondContact O-N 2.96Å; A154-L156 VanDerWaalsContact C-N 3.33Å; A154-G157 PolarHBondContact O-N 3.36Å; A154-T158 WeakPolarHBondContact O-CB 3.45Å; A154-T158 PolarHBondContact O-N 3.23Å; A154-T158 PolarHBondContact O-OG1 3.33Å; A154-L305 HydrophobicContact CB-CD1 4.23Å; A154-I413 HydrophobicContact CB-CB 4.12Å; A154-I413 HydrophobicContact CB-CD1 3.58Å; A154-I413 HydrophobicContact CB-CG1 4.44Å; A154-I413 HydrophobicContact CB-CG2 3.83Å; A154-L430 HydrophobicContact CB-CB 4.38Å; A154-L430 HydrophobicContact CB-CD2 3.92Å; A154-L430 WeakPolarHBondContact O-CD2 3.22Å; A154-I432 HydrophobicContact CB-CD1 4.33Å
155	I	95.8	Very high	93.2	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-57.3	-50.9	171.3	-70.1	158.9	0	0	0	109.1	L151 A152 G157 T158 L159 L183 V187 V228 A260 L305	L151-I155 WeakPolarHBondContact O-CG1 3.5Å; L151-I155 PolarHBondContact O-N 3.15Å; A152-I155 WeakPolarHBondContact O-CB 3.45Å; A152-I155 PolarHBondContact O-N 3.38Å; I155-G157 PolarHBondContact O-N 3.31Å; I155-T158 WeakPolarHBondContact O-CB 3.48Å; I155-T158 PolarHBondContact O-N 2.69Å; I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 HydrophobicContact CG2-CG 4.23Å; I155-L159 VanDerWaalsContact O-CG 3.29Å; I155-L159 WeakPolarHBondContact O-CG 3.31Å; I155-L159 PolarHBondContact O-N 3.13Å; I155-L183 HydrophobicContact CD1-CD1 4.34Å; I155-V187 HydrophobicContact CD1-CG2 3.68Å; I155-V228 HydrophobicContact CD1-CG1 3.66Å; I155-V228 HydrophobicContact CG1-CG1 4.24Å; I155-V228 HydrophobicContact CG2-CG1 4.43Å; I155-V228 HydrophobicContact CG2-CG2 3.77Å; I155-A260 HydrophobicContact CD1-CB 3.78Å; I155-A260 HydrophobicContact CG1-CB 3.98Å; I155-L305 HydrophobicContact CB-CD1 4.38Å; I155-L305 HydrophobicContact CG1-CD1 3.76Å
156	L	94.3	Very high	93.5	Very high	6 Å²	6	24.4 Å²	24.4	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-53.1	-51	175	163.9	68.6	0	0	0	112.6	A152 M153 A154 T158 L159 K160 V190 H194 L197	A152-L156 PolarHBondContact O-N 3.23Å; M153-L156 HydrophobicContact CE-CD2 3.71Å; M153-L156 WeakPolarHBondContact O-CB 3.3Å; M153-L156 PolarHBondContact O-N 3.42Å; M153-L156 HydrophobicContact SD-CD2 3.84Å; A154-L156 VanDerWaalsContact C-N 3.33Å; L156-T158 VanDerWaalsContact C-N 3.27Å; L156-T158 PolarHBondContact O-N 3.42Å; L156-L159 PolarHBondContact O-N 2.95Å; L156-K160 HydrophobicContact CD1-CD 4.05Å; L156-K160 HydrophobicContact CD1-CG 4.19Å; L156-K160 PolarHBondContact O-N 2.98Å; L156-V190 HydrophobicContact CB-CG1 3.79Å; L156-V190 HydrophobicContact CD2-CG1 3.69Å; L156-V190 HydrophobicContact CG-CG1 4.23Å; L156-H194 HydrophobicContact CD1-CB 4.45Å; L156-H194 WeakPolarHBondContact CD2-CE1 3.41Å; L156-H194 WeakPolarHBondContact CD2-NE2 3.41Å; L156-L197 HydrophobicContact CD1-CD1 3Å; L156-L197 HydrophobicContact CD1-CG 4.5Å; L156-L197 HydrophobicContact CG-CD1 4.43Å
157	G	94.7	Very high	93.9	Very high	5 Å²	5	24.6 Å²	24.6	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-59.1	-39.7	179.3	0	0	0	0	0	112.3	M153 A154 I155 K160 Q161	M153-G157 PolarHBondContact O-N 2.61Å; A154-G157 PolarHBondContact O-N 3.36Å; I155-G157 PolarHBondContact O-N 3.31Å; G157-K160 PolarHBondContact O-N 3.26Å; G157-Q161 WeakPolarHBondContact O-CB 3.19Å; G157-Q161 PolarHBondContact O-N 2.94Å
158	T	95.8	Very high	94.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-46.7	176.1	-55.5	0	0	0	0	111.9	A154 I155 L156 K160 Q161 F162 W164 I258 L305 M415	A154-T158 WeakPolarHBondContact O-CB 3.45Å; A154-T158 PolarHBondContact O-N 3.23Å; A154-T158 PolarHBondContact O-OG1 3.33Å; I155-T158 WeakPolarHBondContact O-CB 3.48Å; I155-T158 PolarHBondContact O-N 2.69Å; L156-T158 VanDerWaalsContact C-N 3.27Å; L156-T158 PolarHBondContact O-N 3.42Å; T158-K160 VanDerWaalsContact C-N 3.3Å; T158-K160 PolarHBondContact O-N 3.35Å; T158-Q161 PolarHBondContact O-N 3Å; T158-F162 HydrophobicContact CG2-CD2 3.88Å; T158-F162 HydrophobicContact CG2-CE2 3.93Å; T158-F162 VanDerWaalsContact O-CD2 3.31Å; T158-F162 WeakPolarHBondContact O-CD2 3.38Å; T158-F162 PolarHBondContact O-N 3.42Å; T158-F162 VanDerWaalsContact O-N 3.11Å; T158-W164 HydrophobicContact CG2-CZ3 4.45Å; T158-I258 HydrophobicContact CG2-CD1 4.15Å; T158-L305 WeakPolarHBondContact OG1-CD2 3.27Å; T158-M415 HydrophobicContact CG2-SD 3.7Å
159	L	96	Very high	94.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-60.1	-41.5	177.1	-65.3	178	0	0	0	111.2	I155 L156 F162 Q163 W164 F167 L197 I226 I258	I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 HydrophobicContact CG2-CG 4.23Å; I155-L159 VanDerWaalsContact O-CG 3.29Å; I155-L159 WeakPolarHBondContact O-CG 3.31Å; I155-L159 PolarHBondContact O-N 3.13Å; L156-L159 PolarHBondContact O-N 2.95Å; L159-F162 CarbonylContact O-C 3.57Å; L159-F162 PolarHBondContact O-N 3.32Å; L159-Q163 PolarHBondContact O-N 2.75Å; L159-W164 HydrophobicContact CD2-CB 4.13Å; L159-W164 HydrophobicContact CD2-CE3 3.77Å; L159-W164 PolarHBondContact O-N 3.38Å; L159-F167 HydrophobicContact CD1-CB 4.49Å; L159-F167 HydrophobicContact CD1-CD1 3.46Å; L159-F167 VanDerWaalsContact CD1-CD1 3.46Å; L159-F167 HydrophobicContact CD1-CD2 4.44Å; L159-F167 HydrophobicContact CD1-CE1 3.66Å; L159-F167 HydrophobicContact CD1-CG 3.89Å; L159-F167 HydrophobicContact CD1-CZ 4.22Å; L159-F167 HydrophobicContact CD2-CB 4.32Å; L159-L197 HydrophobicContact CB-CD2 3.94Å; L159-L197 HydrophobicContact CD1-CD2 3.89Å; L159-I226 HydrophobicContact CD2-CG2 3.7Å; L159-I258 HydrophobicContact CD2-CD1 4.14Å
160	K	93.9	Very high	94.7	Very high	93 Å²	93	23 Å²	23	40%	0.404	12%	0.115	S	C	.	.	H	α-helix	trans	-65.6	-46.1	176.3	-78.3	-172.4	164.9	-172.2	0	112.4	L156 G157 T158 F162 Q163 E196	L156-K160 HydrophobicContact CD1-CD 4.05Å; L156-K160 HydrophobicContact CD1-CG 4.19Å; L156-K160 PolarHBondContact O-N 2.98Å; G157-K160 PolarHBondContact O-N 3.26Å; T158-K160 VanDerWaalsContact C-N 3.3Å; T158-K160 PolarHBondContact O-N 3.35Å; K160-F162 PolarHBondContact O-N 2.74Å; K160-Q163 PolarHBondContact O-N 2.71Å; K160-E196 IonicContact NZ-OE2 3.46Å
161	Q	94.7	Very high	94.9	Very high	56 Å²	56	23.7 Å²	23.7	26%	0.262	12%	0.116	S	C	.	.	H	α-helix	trans	-55	-43.2	177.5	-179.9	64.2	11.9	0	0	111.4	G157 T158 F439 Y443	G157-Q161 WeakPolarHBondContact O-CB 3.19Å; G157-Q161 PolarHBondContact O-N 2.94Å; T158-Q161 PolarHBondContact O-N 3Å; Q161-F439 HydrophobicContact CB-CD1 4.32Å; Q161-F439 HydrophobicContact CB-CD2 4.13Å; Q161-F439 HydrophobicContact CB-CE2 4.34Å; Q161-F439 HydrophobicContact CB-CG 4.14Å; Q161-F439 HydrophobicContact CG-CD1 3.73Å; Q161-F439 HydrophobicContact CG-CD2 4.25Å; Q161-F439 HydrophobicContact CG-CE1 3.63Å; Q161-F439 HydrophobicContact CG-CE2 4.17Å; Q161-F439 HydrophobicContact CG-CG 4.06Å; Q161-F439 HydrophobicContact CG-CZ 3.87Å; Q161-Y443 PolarHBondContact NE2-OH 3.17Å
162	F	94.9	Very high	94.9	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	11.9	179	-62.4	-61.3	0	0	0	114.3	T158 L159 K160 W164 L303 M415 E446 V450 W451 R456	T158-F162 HydrophobicContact CG2-CD2 3.88Å; T158-F162 HydrophobicContact CG2-CE2 3.93Å; T158-F162 VanDerWaalsContact O-CD2 3.31Å; T158-F162 WeakPolarHBondContact O-CD2 3.38Å; T158-F162 PolarHBondContact O-N 3.42Å; T158-F162 VanDerWaalsContact O-N 3.11Å; L159-F162 CarbonylContact O-C 3.57Å; L159-F162 PolarHBondContact O-N 3.32Å; K160-F162 PolarHBondContact O-N 2.74Å; F162-W164 HydrophobicContact CB-CD2 3.62Å; F162-W164 HydrophobicContact CB-CE3 3.69Å; F162-W164 HydrophobicContact CB-CG 4.31Å; F162-W164 HydrophobicContact CB-CH2 3.73Å; F162-W164 HydrophobicContact CB-CZ2 3.67Å; F162-W164 HydrophobicContact CB-CZ3 3.75Å; F162-W164 HydrophobicContact CD2-CE3 4.25Å; F162-W164 AromaticContact CD2-CH2 3.54Å; F162-W164 HydrophobicContact CD2-CH2 3.54Å; F162-W164 HydrophobicContact CD2-CZ2 4.28Å; F162-W164 AromaticContact CD2-CZ3 3.52Å; F162-W164 HydrophobicContact CD2-CZ3 3.52Å; F162-W164 HydrophobicContact CE2-CH2 4.3Å; F162-W164 HydrophobicContact CE2-CZ3 4.46Å; F162-W164 HydrophobicContact CG-CE3 4.4Å; F162-W164 AromaticContact CG-CH2 3.74Å; F162-W164 HydrophobicContact CG-CH2 3.74Å; F162-W164 HydrophobicContact CG-CZ2 4.01Å; F162-W164 AromaticContact CG-CZ3 3.96Å; F162-W164 HydrophobicContact CG-CZ3 3.96Å; F162-W164 PolarHBondContact O-N 3.45Å; F162-W164 VanDerWaalsContact O-N 3.12Å; F162-L303 HydrophobicContact CE2-CD1 4.4Å; F162-M415 HydrophobicContact CE2-CE 3.79Å; F162-M415 HydrophobicContact CE2-SD 3.86Å; F162-M415 HydrophobicContact CZ-CE 3.74Å; F162-M415 HydrophobicContact CZ-SD 4.42Å; F162-E446 HydrophobicContact CE1-CG 3.97Å; F162-V450 HydrophobicContact CE1-CG1 4.29Å; F162-V450 HydrophobicContact CZ-CG1 4.07Å; F162-W451 AromaticContact CD1-CZ2 3.99Å; F162-W451 HydrophobicContact CD1-CZ2 3.99Å; F162-W451 AromaticContact CE1-CZ2 3.98Å; F162-W451 HydrophobicContact CE1-CZ2 3.98Å; F162-W451 HydrophobicContact CG-CZ2 4.36Å; F162-W451 HydrophobicContact CZ-CZ2 4.35Å; F162-R456 WeakPolarHBondContact O-CD 3.29Å; F162-R456 PolarHBondContact O-NE 3.15Å; F162-R456 PolarHBondContact O-NH1 2.95Å
163	Q	94.3	Very high	94.6	Very high	152 Å²	152	23.9 Å²	23.9	71%	0.71	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	35.3	176.9	-55.9	175	-46.5	0	0	113.7	L159 K160	L159-Q163 PolarHBondContact O-N 2.75Å; K160-Q163 PolarHBondContact O-N 2.71Å
164	W	95.5	Very high	94.2	Very high	5 Å²	5	27 Å²	27	2%	0.019	13%	0.134	C	C	.	.			trans	-89.2	113.3	175.2	-64.3	-37.2	0	0	0	109.7	T158 L159 F162 L197 I226 V256 I258 W451 R456 P457 A459	T158-W164 HydrophobicContact CG2-CZ3 4.45Å; L159-W164 HydrophobicContact CD2-CB 4.13Å; L159-W164 HydrophobicContact CD2-CE3 3.77Å; L159-W164 PolarHBondContact O-N 3.38Å; F162-W164 HydrophobicContact CB-CD2 3.62Å; F162-W164 HydrophobicContact CB-CE3 3.69Å; F162-W164 HydrophobicContact CB-CG 4.31Å; F162-W164 HydrophobicContact CB-CH2 3.73Å; F162-W164 HydrophobicContact CB-CZ2 3.67Å; F162-W164 HydrophobicContact CB-CZ3 3.75Å; F162-W164 HydrophobicContact CD2-CE3 4.25Å; F162-W164 AromaticContact CD2-CH2 3.54Å; F162-W164 HydrophobicContact CD2-CH2 3.54Å; F162-W164 HydrophobicContact CD2-CZ2 4.28Å; F162-W164 AromaticContact CD2-CZ3 3.52Å; F162-W164 HydrophobicContact CD2-CZ3 3.52Å; F162-W164 HydrophobicContact CE2-CH2 4.3Å; F162-W164 HydrophobicContact CE2-CZ3 4.46Å; F162-W164 HydrophobicContact CG-CE3 4.4Å; F162-W164 AromaticContact CG-CH2 3.74Å; F162-W164 HydrophobicContact CG-CH2 3.74Å; F162-W164 HydrophobicContact CG-CZ2 4.01Å; F162-W164 AromaticContact CG-CZ3 3.96Å; F162-W164 HydrophobicContact CG-CZ3 3.96Å; F162-W164 PolarHBondContact O-N 3.45Å; F162-W164 VanDerWaalsContact O-N 3.12Å; W164-L197 WeakPolarHBondContact O-CD2 3.39Å; W164-I226 HydrophobicContact CB-CG1 4.08Å; W164-I226 HydrophobicContact CD2-CD1 3.65Å; W164-I226 HydrophobicContact CD2-CG1 3.81Å; W164-I226 HydrophobicContact CD2-CG2 4.04Å; W164-I226 VanDerWaalsContact CE2-CD1 3.44Å; W164-I226 HydrophobicContact CE3-CD1 4.28Å; W164-I226 HydrophobicContact CE3-CG1 4.38Å; W164-I226 HydrophobicContact CE3-CG2 3.73Å; W164-I226 HydrophobicContact CG-CD1 3.89Å; W164-I226 HydrophobicContact CG-CG1 3.67Å; W164-I226 HydrophobicContact CG-CG2 4.45Å; W164-I226 HydrophobicContact CZ2-CD1 3.94Å; W164-I226 HydrophobicContact CZ3-CG2 4.23Å; W164-V256 HydrophobicContact CH2-CB 4.25Å; W164-V256 HydrophobicContact CH2-CG1 3.91Å; W164-V256 HydrophobicContact CH2-CG2 4.05Å; W164-V256 HydrophobicContact CZ2-CB 4.45Å; W164-V256 HydrophobicContact CZ2-CG2 3.88Å; W164-V256 HydrophobicContact CZ3-CG1 4.45Å; W164-I258 HydrophobicContact CE3-CD1 4.42Å; W164-I258 HydrophobicContact CZ3-CD1 3.9Å; W164-W451 AromaticContact CH2-CH2 3.66Å; W164-W451 HydrophobicContact CH2-CH2 3.66Å; W164-W451 AromaticContact CH2-CZ2 3.91Å; W164-W451 HydrophobicContact CH2-CZ2 3.91Å; W164-W451 AromaticContact CZ2-CH2 3.65Å; W164-W451 HydrophobicContact CZ2-CH2 3.65Å; W164-W451 AromaticContact CZ2-CZ2 3.69Å; W164-W451 HydrophobicContact CZ2-CZ2 3.69Å; W164-R456 HydrophobicContact CZ2-CG 4.08Å; W164-P457 PolarHBondContact NE1-O 2.92Å; W164-A459 HydrophobicContact CB-CB 4.5Å
165	T	93.6	Very high	93.4	Very high	86 Å²	86	29.8 Å²	29.8	53%	0.528	16%	0.163	S	C	.	.			trans	-91.9	-11.1	-176.9	58.5	0	0	0	0	113.4	S198	T165-S198 PolarHBondContact O-N 3.33Å
166	E	94.2	Very high	92.5	Very high	50 Å²	50	32 Å²	32	23%	0.234	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	131.4	-175.1	-171.5	177.5	-161.4	0	0	110.5	S198 A200 A459	E166-S198 WeakPolarHBondContact CA-O 3.48Å; E166-A200 HydrophobicContact CG-CB 3.65Å; E166-A200 VanDerWaalsContact OE1-CB 3.29Å; E166-A200 WeakPolarHBondContact OE1-CB 3.27Å; E166-A459 HydrophobicContact CB-CB 4.31Å
167	F	96.3	Very high	91.6	Very high	5 Å²	5	37 Å²	37	2%	0.022	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	163.5	179.8	73.9	-77.9	0	0	0	112.7	L159 V187 A191 S198 L199 A200 I226 V228	L159-F167 HydrophobicContact CD1-CB 4.49Å; L159-F167 HydrophobicContact CD1-CD1 3.46Å; L159-F167 VanDerWaalsContact CD1-CD1 3.46Å; L159-F167 HydrophobicContact CD1-CD2 4.44Å; L159-F167 HydrophobicContact CD1-CE1 3.66Å; L159-F167 HydrophobicContact CD1-CG 3.89Å; L159-F167 HydrophobicContact CD1-CZ 4.22Å; L159-F167 HydrophobicContact CD2-CB 4.32Å; F167-V187 HydrophobicContact CE2-CG1 3.78Å; F167-V187 HydrophobicContact CZ-CG1 3.83Å; F167-A191 HydrophobicContact CE1-CB 4.49Å; F167-A191 HydrophobicContact CZ-CB 4.35Å; F167-S198 PolarHBondContact N-O 3.25Å; F167-L199 HydrophobicContact CD2-CD1 4.09Å; F167-L199 HydrophobicContact CE1-CB 4.25Å; F167-L199 HydrophobicContact CE2-CD1 3.62Å; F167-L199 HydrophobicContact CZ-CB 4.12Å; F167-L199 HydrophobicContact CZ-CD1 3.87Å; F167-A200 PolarHBondContact O-N 2.74Å; F167-I226 CarbonylContact C-O 3.57Å; F167-I226 VanDerWaalsContact CA-O 3.32Å; F167-I226 WeakPolarHBondContact CA-O 3.35Å; F167-I226 HydrophobicContact CB-CB 4.08Å; F167-I226 HydrophobicContact CB-CG2 4.11Å; F167-I226 WeakPolarHBondContact CB-O 3.18Å; F167-V228 HydrophobicContact CD2-CB 4.18Å; F167-V228 HydrophobicContact CD2-CG2 3.55Å; F167-V228 HydrophobicContact CE2-CB 4.45Å; F167-V228 HydrophobicContact CE2-CG2 3.99Å; F167-V228 HydrophobicContact CG-CG2 4.42Å
168	V	96.8	Very high	90.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.8	176.6	170.5	0	0	0	0	109.5	A200 Y201 I220 R223 I226 I227 V228	V168-A200 HydrophobicContact CG2-CB 4.31Å; V168-Y201 WeakPolarHBondContact CA-O 3.44Å; V168-Y201 HydrophobicContact CG1-CD1 4.32Å; V168-I220 HydrophobicContact CG1-CB 4.09Å; V168-I220 HydrophobicContact CG1-CG2 3.88Å; V168-R223 HydrophobicContact CG2-CB 4.32Å; V168-I226 PolarHBondContact N-O 3.29Å; V168-I227 HydrophobicContact CB-CD1 3.84Å; V168-I227 HydrophobicContact CG1-CD1 4.34Å; V168-I227 HydrophobicContact CG2-CD1 4.42Å; V168-I227 CarbonylContact O-C 3.6Å; V168-I227 WeakPolarHBondContact O-CA 3.34Å; V168-V228 PolarHBondContact O-N 3.36Å
169	F	96.4	Very high	90.2	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.9	174.2	-167	-96	0	0	0	110.7	Y171 L183 K184 V187 L199 Y201 T202 F203 V228 C230	F169-Y171 HydrophobicContact CD1-CD1 4.01Å; F169-Y171 HydrophobicContact CD1-CG 4.44Å; F169-Y171 HydrophobicContact CE1-CD1 4.04Å; F169-Y171 HydrophobicContact CE1-CG 4.02Å; F169-L183 HydrophobicContact CE2-CD2 4.41Å; F169-L183 HydrophobicContact CE2-CG 4.24Å; F169-L183 HydrophobicContact CZ-CB 4.47Å; F169-L183 HydrophobicContact CZ-CD2 4.31Å; F169-L183 HydrophobicContact CZ-CG 4.08Å; F169-K184 HydrophobicContact CD1-CB 4.18Å; F169-K184 HydrophobicContact CD1-CG 3.89Å; F169-K184 HydrophobicContact CE1-CB 3.49Å; F169-K184 VanDerWaalsContact CE1-CB 3.49Å; F169-K184 HydrophobicContact CE1-CG 3.72Å; F169-K184 HydrophobicContact CZ-CB 4.12Å; F169-V187 HydrophobicContact CD2-CB 4.26Å; F169-V187 HydrophobicContact CD2-CG1 3.89Å; F169-V187 HydrophobicContact CD2-CG2 4.26Å; F169-V187 HydrophobicContact CE2-CB 4.19Å; F169-V187 HydrophobicContact CE2-CG1 4.3Å; F169-V187 HydrophobicContact CE2-CG2 3.85Å; F169-L199 HydrophobicContact CB-CD1 3.72Å; F169-Y201 PolarHBondContact N-O 3.17Å; F169-T202 HydrophobicContact CD1-CG2 4.24Å; F169-T202 CarbonylContact O-C 3.51Å; F169-T202 VanDerWaalsContact O-CA 3.26Å; F169-T202 WeakPolarHBondContact O-CA 3.47Å; F169-F203 PolarHBondContact O-N 3.28Å; F169-V228 CarbonylContact C-O 3.52Å; F169-V228 WeakPolarHBondContact CA-O 3.46Å; F169-V228 HydrophobicContact CD2-CB 3.89Å; F169-V228 HydrophobicContact CD2-CG1 3.58Å; F169-V228 HydrophobicContact CE2-CB 4.46Å; F169-V228 HydrophobicContact CE2-CG1 3.67Å; F169-C230 HydrophobicContact CZ-CB 4.33Å
170	L	95.8	Very high	89.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127	-179.8	177.9	68.3	0	0	0	109.1	F203 I205 A216 I217 I220 I227 V228 A229 C230 L241	L170-F203 WeakPolarHBondContact CA-O 3.32Å; L170-F203 HydrophobicContact CD1-CB 4.04Å; L170-F203 HydrophobicContact CD1-CD1 3.76Å; L170-F203 HydrophobicContact CD1-CG 4.36Å; L170-I205 HydrophobicContact CD1-CD1 3.91Å; L170-I205 HydrophobicContact CD1-CG1 3.59Å; L170-I205 HydrophobicContact CD2-CD1 4.04Å; L170-I205 HydrophobicContact CG-CD1 3.91Å; L170-I205 HydrophobicContact CG-CG1 4.11Å; L170-A216 HydrophobicContact CD1-CB 3.97Å; L170-I217 HydrophobicContact CD2-CD1 4.23Å; L170-I220 HydrophobicContact CD1-CG2 4.13Å; L170-I220 HydrophobicContact CD2-CD1 3.94Å; L170-I227 HydrophobicContact CB-CG2 4.08Å; L170-I227 HydrophobicContact CD2-CG2 4.44Å; L170-V228 PolarHBondContact N-O 3.38Å; L170-A229 HydrophobicContact CB-CB 4.47Å; L170-A229 CarbonylContact O-C 3.59Å; L170-A229 WeakPolarHBondContact O-CA 3.49Å; L170-C230 PolarHBondContact O-N 2.86Å; L170-L241 HydrophobicContact CD2-CD1 3.91Å; L170-L241 HydrophobicContact CD2-CD2 4.35Å
171	Y	94.6	Very high	89.7	Confident	24 Å²	24	37.9 Å²	37.9	9%	0.094	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.3	-178.2	75.3	-74.1	0	0	0	114.4	F169 N173 C180 K184 T202 F203 R204 I205 C230	F169-Y171 HydrophobicContact CD1-CD1 4.01Å; F169-Y171 HydrophobicContact CD1-CG 4.44Å; F169-Y171 HydrophobicContact CE1-CD1 4.04Å; F169-Y171 HydrophobicContact CE1-CG 4.02Å; Y171-N173 VanDerWaalsContact CD2-OD1 3.3Å; Y171-N173 WeakPolarHBondContact CD2-OD1 3.21Å; Y171-C180 HydrophobicContact CD2-CB 4.31Å; Y171-K184 HydrophobicContact CD1-CG 4.34Å; Y171-K184 HydrophobicContact CE1-CD 3.94Å; Y171-K184 HydrophobicContact CE1-CG 4.21Å; Y171-K184 HydrophobicContact CE2-CD 4.36Å; Y171-T202 HydrophobicContact CD1-CG2 4.14Å; Y171-T202 HydrophobicContact CE1-CG2 3.76Å; Y171-F203 VanDerWaalsContact CD1-O 3.26Å; Y171-F203 WeakPolarHBondContact CD1-O 3.33Å; Y171-F203 PolarHBondContact N-O 2.98Å; Y171-R204 HydrophobicContact CD1-CB 4.38Å; Y171-R204 HydrophobicContact CD2-CG 4.43Å; Y171-R204 HydrophobicContact CE1-CB 3.69Å; Y171-R204 HydrophobicContact CE1-CG 4.28Å; Y171-R204 HydrophobicContact CE2-CB 4.17Å; Y171-R204 HydrophobicContact CE2-CG 3.84Å; Y171-R204 CarbonylContact O-C 3.49Å; Y171-R204 WeakPolarHBondContact O-CA 3.32Å; Y171-I205 PolarHBondContact O-N 3.43Å; Y171-C230 CarbonylContact C-O 3.27Å; Y171-C230 WeakPolarHBondContact CA-O 3.16Å
172	C	92.3	Very high	89.4	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.1	176.2	-168.2	0	0	0	0	110.2	I205 C230 V231	C172-I205 HydrophobicContact CB-CB 3.91Å; C172-I205 HydrophobicContact CB-CD1 4.32Å; C172-I205 HydrophobicContact CB-CG1 4.41Å; C172-C230 PolarHBondContact N-O 2.83Å; C172-V231 HydrophobicContact CB-CB 4.48Å; C172-V231 HydrophobicContact CB-CG1 3.97Å
173	N	89	Confident	89.3	Confident	9 Å²	9	36.5 Å²	36.5	5%	0.048	20%	0.202	C	C	.	.			trans	-93.7	-8.9	176.8	-65.7	-1.3	0	0	0	112.4	Y171 G175 D176 E181	Y171-N173 VanDerWaalsContact CD2-OD1 3.3Å; Y171-N173 WeakPolarHBondContact CD2-OD1 3.21Å; N173-G175 PolarHBondContact O-N 3.19Å; N173-G175 VanDerWaalsContact O-N 3.13Å; N173-D176 WeakPolarHBondContact CA-O 3.31Å; N173-D176 CarbonylContact O-C 3.27Å; N173-D176 VanDerWaalsContact O-C 3.27Å; N173-D176 PolarHBondContact O-N 3.43Å; N173-E181 PolarHBondContact ND2-OE2 3.1Å
174	D	85.4	Confident	89.2	Confident	67 Å²	67	30.5 Å²	30.5	36%	0.358	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	122.9	174.8	-176.9	12.1	0	0	0	108.8	D176 S207 K208	D174-D176 VanDerWaalsContact C-N 3.31Å; D174-D176 PolarHBondContact O-N 3.45Å; D174-S207 WeakPolarHBondContact OD2-CA 3.39Å; D174-S207 WeakPolarHBondContact OD2-CB 3.26Å; D174-K208 HydrophobicContact CB-CG 4.09Å; D174-K208 WeakPolarHBondContact O-CE 3.15Å; D174-K208 WeakPolarHBondContact OD2-CG 3.32Å; D174-K208 PolarHBondContact OD2-N 3.35Å
175	G	77.1	Confident	89.1	Confident	59 Å²	59	33.9 Å²	33.9	61%	0.608	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	2.9	-176.7	0	0	0	0	0	117.4	N173	N173-G175 PolarHBondContact O-N 3.19Å; N173-G175 VanDerWaalsContact O-N 3.13Å
176	D	76.6	Confident	89.1	Confident	50 Å²	50	30.4 Å²	30.4	27%	0.267	17%	0.17	S	C	.	.			trans	-161.7	93.8	169.2	-170.7	-20.8	0	0	0	109.9	N173 D174 E178 K179 A232	N173-D176 WeakPolarHBondContact CA-O 3.31Å; N173-D176 CarbonylContact O-C 3.27Å; N173-D176 VanDerWaalsContact O-C 3.27Å; N173-D176 PolarHBondContact O-N 3.43Å; D174-D176 VanDerWaalsContact C-N 3.31Å; D174-D176 PolarHBondContact O-N 3.45Å; D176-E178 VanDerWaalsContact C-N 3.26Å; D176-E178 PolarHBondContact O-N 2.97Å; D176-E178 PolarHBondContact OD1-N 3.17Å; D176-K179 VanDerWaalsContact CG-CB 3.43Å; D176-K179 WeakPolarHBondContact OD1-CB 3.34Å; D176-K179 PolarHBondContact OD1-N 3.19Å; D176-K179 WeakPolarHBondContact OD2-CB 3.22Å; D176-K179 WeakPolarHBondContact OD2-CE 3.31Å; D176-A232 HydrophobicContact CB-CB 3.91Å
177	D	75.3	Confident	89.1	Confident	111 Å²	111	28.2 Å²	28.2	59%	0.594	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.4	-172	-67.9	-32.3	0	0	0	114.2
178	E	78.3	Confident	89	Confident	43 Å²	43	31.4 Å²	31.4	20%	0.201	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-42.4	-168	-176.2	171.4	-179.1	0	0	113.3	S104 R105 D176 C180 E181 S182	S104-E178 WeakPolarHBondContact CB-OE1 3.16Å; R105-E178 WeakPolarHBondContact CG-OE2 3.33Å; R105-E178 IonicContact CZ-OE2 2.61Å; R105-E178 IonicContact NE-OE2 3.81Å; R105-E178 PolarHBondContact NE-OE2 3.46Å; D176-E178 VanDerWaalsContact C-N 3.26Å; D176-E178 PolarHBondContact O-N 2.97Å; D176-E178 PolarHBondContact OD1-N 3.17Å; E178-C180 PolarHBondContact O-N 3.28Å; E178-E181 PolarHBondContact O-N 2.97Å; E178-S182 WeakPolarHBondContact O-CB 3.37Å; E178-S182 PolarHBondContact O-N 2.87Å; E178-S182 PolarHBondContact O-OG 3.33Å
179	K	84.2	Confident	88.9	Confident	21 Å²	21	34.4 Å²	34.4	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-53.4	-172.8	-179.3	-177.1	66.3	159	0	111.8	D176 L183 V231 S233 E261	D176-K179 VanDerWaalsContact CG-CB 3.43Å; D176-K179 WeakPolarHBondContact OD1-CB 3.34Å; D176-K179 PolarHBondContact OD1-N 3.19Å; D176-K179 WeakPolarHBondContact OD2-CB 3.22Å; D176-K179 WeakPolarHBondContact OD2-CE 3.31Å; K179-L183 WeakPolarHBondContact O-CB 3.39Å; K179-L183 PolarHBondContact O-N 2.93Å; K179-L183 VanDerWaalsContact O-N 3.09Å; K179-V231 PolarHBondContact NZ-O 2.95Å; K179-S233 PolarHBondContact NZ-OG 3.42Å; K179-E261 IonicContact NZ-OE2 3.84Å
180	C	89.4	Confident	88.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-77.3	-30.1	-174.3	-66.8	0	0	0	0	112.8	Y171 E178 K184 C230	Y171-C180 HydrophobicContact CD2-CB 4.31Å; E178-C180 PolarHBondContact O-N 3.28Å; C180-K184 VanDerWaalsContact O-CB 3.27Å; C180-K184 WeakPolarHBondContact O-CB 3.32Å; C180-K184 PolarHBondContact O-N 2.94Å; C180-C230 WeakPolarHBondContact CA-SG 3.19Å; C180-C230 HydrophobicContact CB-CB 3.78Å; C180-C230 WeakPolarHBondContact CB-SG 3.31Å; C180-C230 WeakPolarHBondContact SG-CB 3.2Å; C180-C230 PolarHBondContact SG-O 2.84Å; C180-C230 CovalentContact SG-SG 2.05Å; C180-C230 PolarHBondContact SG-SG 2.96Å
181	E	88.3	Confident	88.6	Confident	54 Å²	54	35.2 Å²	35.2	25%	0.252	20%	0.199	S	C	.	.	H	α-helix	trans	-65.8	-46.1	173.5	-161.9	65.7	-143.7	0	0	110.9	N173 E178 L183 K184 D185	N173-E181 PolarHBondContact ND2-OE2 3.1Å; E178-E181 PolarHBondContact O-N 2.97Å; E181-L183 PolarHBondContact O-N 3.26Å; E181-K184 WeakPolarHBondContact O-CB 3.38Å; E181-K184 PolarHBondContact O-N 2.96Å; E181-K184 IonicContact OE1-NZ 3.97Å; E181-K184 PolarHBondContact OE1-NZ 3.32Å; E181-D185 PolarHBondContact O-N 3.41Å; E181-D185 VanDerWaalsContact O-N 3.12Å
182	S	89	Confident	88.5	Confident	24 Å²	24	38.8 Å²	38.8	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-43.6	177.7	-55.7	0	0	0	0	111.9	E178 K184 D185 D186	E178-S182 WeakPolarHBondContact O-CB 3.37Å; E178-S182 PolarHBondContact O-N 2.87Å; E178-S182 PolarHBondContact O-OG 3.33Å; S182-K184 VanDerWaalsContact C-N 3.34Å; S182-K184 PolarHBondContact O-N 3.12Å; S182-D185 PolarHBondContact O-N 2.84Å; S182-D186 PolarHBondContact O-N 3.46Å; S182-D186 VanDerWaalsContact O-N 3.09Å
183	L	92.1	Very high	88.4	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-38.1	176.5	-176.4	62.2	0	0	0	112	L151 I155 F169 K179 E181 D186 V187 C230 A260	L151-L183 HydrophobicContact CB-CD1 3.82Å; L151-L183 HydrophobicContact CD1-CD1 4.48Å; I155-L183 HydrophobicContact CD1-CD1 4.34Å; F169-L183 HydrophobicContact CE2-CD2 4.41Å; F169-L183 HydrophobicContact CE2-CG 4.24Å; F169-L183 HydrophobicContact CZ-CB 4.47Å; F169-L183 HydrophobicContact CZ-CD2 4.31Å; F169-L183 HydrophobicContact CZ-CG 4.08Å; K179-L183 WeakPolarHBondContact O-CB 3.39Å; K179-L183 PolarHBondContact O-N 2.93Å; K179-L183 VanDerWaalsContact O-N 3.09Å; E181-L183 PolarHBondContact O-N 3.26Å; L183-D186 PolarHBondContact O-N 2.79Å; L183-V187 HydrophobicContact CD1-CG2 4.02Å; L183-V187 HydrophobicContact CG-CG2 4.22Å; L183-V187 WeakPolarHBondContact O-CB 3.28Å; L183-V187 VanDerWaalsContact O-CG2 3.23Å; L183-V187 WeakPolarHBondContact O-CG2 3.05Å; L183-V187 PolarHBondContact O-N 3.48Å; L183-C230 HydrophobicContact CD2-CB 4.1Å; L183-A260 HydrophobicContact CD2-CB 4.31Å
184	K	93.1	Very high	88.5	Confident	25 Å²	25	43.9 Å²	43.9	11%	0.109	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-49	176	-172.8	-141.6	73.9	-161.1	0	111	F169 Y171 C180 E181 S182 V187 Q188 T202	F169-K184 HydrophobicContact CD1-CB 4.18Å; F169-K184 HydrophobicContact CD1-CG 3.89Å; F169-K184 HydrophobicContact CE1-CB 3.49Å; F169-K184 VanDerWaalsContact CE1-CB 3.49Å; F169-K184 HydrophobicContact CE1-CG 3.72Å; F169-K184 HydrophobicContact CZ-CB 4.12Å; Y171-K184 HydrophobicContact CD1-CG 4.34Å; Y171-K184 HydrophobicContact CE1-CD 3.94Å; Y171-K184 HydrophobicContact CE1-CG 4.21Å; Y171-K184 HydrophobicContact CE2-CD 4.36Å; C180-K184 VanDerWaalsContact O-CB 3.27Å; C180-K184 WeakPolarHBondContact O-CB 3.32Å; C180-K184 PolarHBondContact O-N 2.94Å; E181-K184 WeakPolarHBondContact O-CB 3.38Å; E181-K184 PolarHBondContact O-N 2.96Å; E181-K184 IonicContact OE1-NZ 3.97Å; E181-K184 PolarHBondContact OE1-NZ 3.32Å; S182-K184 VanDerWaalsContact C-N 3.34Å; S182-K184 PolarHBondContact O-N 3.12Å; K184-V187 PolarHBondContact O-N 2.88Å; K184-Q188 WeakPolarHBondContact O-CB 3.36Å; K184-Q188 VanDerWaalsContact O-CG 3.3Å; K184-Q188 WeakPolarHBondContact O-CG 3.46Å; K184-Q188 PolarHBondContact O-N 3.32Å; K184-T202 HydrophobicContact CD-CG2 4.24Å; K184-T202 HydrophobicContact CG-CG2 4.04Å
185	D	93.3	Very high	88.6	Confident	76 Å²	76	50.3 Å²	50.3	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-41.7	-179.3	-71.3	-16.4	0	0	0	111.8	E181 S182 Q188 T189	E181-D185 PolarHBondContact O-N 3.41Å; E181-D185 VanDerWaalsContact O-N 3.12Å; S182-D185 PolarHBondContact O-N 2.84Å; D185-Q188 PolarHBondContact O-N 3.09Å; D185-T189 WeakPolarHBondContact O-CB 3.39Å; D185-T189 PolarHBondContact O-N 3.07Å; D185-T189 PolarHBondContact O-OG1 2.91Å
186	D	93.3	Very high	89	Confident	14 Å²	14	54.2 Å²	54.2	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-70.4	-38.1	177.7	-82.6	-37.4	0	0	0	112.7	R130 S148 Y149 A152 S182 L183 T189 V190	R130-D186 WeakPolarHBondContact CD-OD1 3.49Å; R130-D186 IonicContact NH1-OD1 3.97Å; S148-D186 WeakPolarHBondContact CB-OD2 3.47Å; S148-D186 PolarHBondContact OG-OD2 3.22Å; Y149-D186 HydrophobicContact CD2-CB 4.32Å; Y149-D186 PolarHBondContact N-OD2 3.08Å; A152-D186 HydrophobicContact CB-CB 4.03Å; S182-D186 PolarHBondContact O-N 3.46Å; S182-D186 VanDerWaalsContact O-N 3.09Å; L183-D186 PolarHBondContact O-N 2.79Å; D186-T189 WeakPolarHBondContact O-CB 3.27Å; D186-T189 PolarHBondContact O-N 2.91Å; D186-V190 WeakPolarHBondContact O-CG2 3.38Å; D186-V190 PolarHBondContact O-N 3.29Å
187	V	94.5	Very high	89.6	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-41.4	173.3	167.7	0	0	0	0	111.1	A152 I155 F167 F169 L183 K184 T189 V190 A191	A152-V187 HydrophobicContact CB-CG2 3.8Å; I155-V187 HydrophobicContact CD1-CG2 3.68Å; F167-V187 HydrophobicContact CE2-CG1 3.78Å; F167-V187 HydrophobicContact CZ-CG1 3.83Å; F169-V187 HydrophobicContact CD2-CB 4.26Å; F169-V187 HydrophobicContact CD2-CG1 3.89Å; F169-V187 HydrophobicContact CD2-CG2 4.26Å; F169-V187 HydrophobicContact CE2-CB 4.19Å; F169-V187 HydrophobicContact CE2-CG1 4.3Å; F169-V187 HydrophobicContact CE2-CG2 3.85Å; L183-V187 HydrophobicContact CD1-CG2 4.02Å; L183-V187 HydrophobicContact CG-CG2 4.22Å; L183-V187 WeakPolarHBondContact O-CB 3.28Å; L183-V187 VanDerWaalsContact O-CG2 3.23Å; L183-V187 WeakPolarHBondContact O-CG2 3.05Å; L183-V187 PolarHBondContact O-N 3.48Å; K184-V187 PolarHBondContact O-N 2.88Å; V187-T189 VanDerWaalsContact C-N 3.33Å; V187-V190 PolarHBondContact O-N 3.42Å; V187-A191 VanDerWaalsContact O-CB 3.25Å; V187-A191 WeakPolarHBondContact O-CB 3.49Å; V187-A191 PolarHBondContact O-N 2.9Å
188	Q	94.7	Very high	90.5	Very high	72 Å²	72	50.3 Å²	50.3	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-40.8	173.8	-75.4	177.7	-18.6	0	0	111.8	K184 D185 S192 L199	K184-Q188 WeakPolarHBondContact O-CB 3.36Å; K184-Q188 VanDerWaalsContact O-CG 3.3Å; K184-Q188 WeakPolarHBondContact O-CG 3.46Å; K184-Q188 PolarHBondContact O-N 3.32Å; D185-Q188 PolarHBondContact O-N 3.09Å; Q188-S192 WeakPolarHBondContact O-CB 3.42Å; Q188-S192 PolarHBondContact O-N 3.17Å; Q188-S192 PolarHBondContact O-OG 2.89Å; Q188-L199 HydrophobicContact CG-CD2 3.62Å
189	T	93.4	Very high	91.2	Very high	63 Å²	63	50.3 Å²	50.3	39%	0.387	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-45.2	176.5	-58.5	0	0	0	0	111.6	D185 D186 V187 S192 A193	D185-T189 WeakPolarHBondContact O-CB 3.39Å; D185-T189 PolarHBondContact O-N 3.07Å; D185-T189 PolarHBondContact O-OG1 2.91Å; D186-T189 WeakPolarHBondContact O-CB 3.27Å; D186-T189 PolarHBondContact O-N 2.91Å; V187-T189 VanDerWaalsContact C-N 3.33Å; T189-S192 PolarHBondContact O-OG 2.82Å; T189-A193 PolarHBondContact O-N 3.23Å
190	V	93.2	Very high	91.6	Very high	5 Å²	5	51 Å²	51	3%	0.03	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-43.2	178.7	172.3	0	0	0	0	111.4	Y149 A152 M153 L156 D186 V187 A193 H194	Y149-V190 HydrophobicContact CD2-CG2 3.88Å; Y149-V190 HydrophobicContact CE2-CG2 3.39Å; A152-V190 HydrophobicContact CB-CB 4.25Å; A152-V190 HydrophobicContact CB-CG2 3.7Å; M153-V190 HydrophobicContact CG-CG2 4.34Å; M153-V190 HydrophobicContact SD-CG1 3.95Å; M153-V190 HydrophobicContact SD-CG2 3.84Å; L156-V190 HydrophobicContact CB-CG1 3.79Å; L156-V190 HydrophobicContact CD2-CG1 3.69Å; L156-V190 HydrophobicContact CG-CG1 4.23Å; D186-V190 WeakPolarHBondContact O-CG2 3.38Å; D186-V190 PolarHBondContact O-N 3.29Å; V187-V190 PolarHBondContact O-N 3.42Å; V190-A193 PolarHBondContact O-N 3.27Å; V190-H194 PolarHBondContact O-N 3.4Å; V190-H194 PolarHBondContact O-ND1 3.18Å
191	A	92.9	Very high	91.9	Very high	13 Å²	13	54 Å²	54	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-41.7	178.3	0	0	0	0	0	112	F167 V187 A193 H194 L199	F167-A191 HydrophobicContact CE1-CB 4.49Å; F167-A191 HydrophobicContact CZ-CB 4.35Å; V187-A191 VanDerWaalsContact O-CB 3.25Å; V187-A191 WeakPolarHBondContact O-CB 3.49Å; V187-A191 PolarHBondContact O-N 2.9Å; A191-A193 VanDerWaalsContact C-N 3.28Å; A191-A193 PolarHBondContact O-N 3.21Å; A191-H194 PolarHBondContact O-N 3.44Å; A191-L199 HydrophobicContact CB-CB 4.11Å
192	S	92.6	Very high	92.2	Very high	100 Å²	100	53.3 Å²	53.3	70%	0.699	30%	0.3	S	S	*	.	H	α-helix	trans	-68.4	-24.7	177.5	58	0	0	0	0	114	Q188 T189	Q188-S192 WeakPolarHBondContact O-CB 3.42Å; Q188-S192 PolarHBondContact O-N 3.17Å; Q188-S192 PolarHBondContact O-OG 2.89Å; T189-S192 PolarHBondContact O-OG 2.82Å
193	A	91.6	Very high	92.5	Very high	70 Å²	70	54.2 Å²	54.2	58%	0.579	30%	0.301	S	S	*	.	H	α-helix	trans	-81.9	-11	176.6	0	0	0	0	0	114.1	T189 V190 A191	T189-A193 PolarHBondContact O-N 3.23Å; V190-A193 PolarHBondContact O-N 3.27Å; A191-A193 VanDerWaalsContact C-N 3.28Å; A191-A193 PolarHBondContact O-N 3.21Å
194	H	90.3	Very high	92.7	Very high	47 Å²	47	60.4 Å²	60.4	22%	0.218	32%	0.324	C	S	.	.			trans	-124.4	97.5	-175.9	-66.6	85.2	0	0	0	111.2	L156 V190 A191 E196 L197	L156-H194 HydrophobicContact CD1-CB 4.45Å; L156-H194 WeakPolarHBondContact CD2-CE1 3.41Å; L156-H194 WeakPolarHBondContact CD2-NE2 3.41Å; V190-H194 PolarHBondContact O-N 3.4Å; V190-H194 PolarHBondContact O-ND1 3.18Å; A191-H194 PolarHBondContact O-N 3.44Å; H194-E196 PolarHBondContact O-N 2.78Å; H194-L197 HydrophobicContact CB-CD1 4.37Å; H194-L197 PolarHBondContact O-N 3.04Å
195	E	86.8	Confident	92.7	Very high	202 Å²	202	59.2 Å²	59.2	94%	0.944	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.4	-173	-62.7	-175.3	172.9	0	0	115.1	L197	E195-L197 PolarHBondContact O-N 3.25Å
196	E	86.1	Confident	92.6	Very high	141 Å²	141	63.4 Å²	63.4	66%	0.659	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.7	179.7	-60.8	171.7	172.4	0	0	113.5	K160 H194	K160-E196 IonicContact NZ-OE2 3.46Å; H194-E196 PolarHBondContact O-N 2.78Å
197	L	90.1	Very high	92.5	Very high	19 Å²	19	63.5 Å²	63.5	10%	0.099	34%	0.337	C	S	.	.			trans	-119.1	131	-173.4	-76.8	159.7	0	0	0	112.2	L156 L159 W164 H194 E195	L156-L197 HydrophobicContact CD1-CD1 3Å; L156-L197 HydrophobicContact CD1-CG 4.5Å; L156-L197 HydrophobicContact CG-CD1 4.43Å; L159-L197 HydrophobicContact CB-CD2 3.94Å; L159-L197 HydrophobicContact CD1-CD2 3.89Å; W164-L197 WeakPolarHBondContact O-CD2 3.39Å; H194-L197 HydrophobicContact CB-CD1 4.37Å; H194-L197 PolarHBondContact O-N 3.04Å; E195-L197 PolarHBondContact O-N 3.25Å
198	S	92.7	Very high	92.2	Very high	60 Å²	60	65 Å²	65	42%	0.42	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.8	177.9	-176.2	0	0	0	0	110.9	T165 E166 F167 A200	T165-S198 PolarHBondContact O-N 3.33Å; E166-S198 WeakPolarHBondContact CA-O 3.48Å; F167-S198 PolarHBondContact N-O 3.25Å; S198-A200 PolarHBondContact O-N 3.13Å
199	L	95	Very high	91.9	Very high	42 Å²	42	68 Å²	68	22%	0.22	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	93.5	162.9	175.4	60.1	0	0	0	108.5	F167 F169 Q188 A191 Y201	F167-L199 HydrophobicContact CD2-CD1 4.09Å; F167-L199 HydrophobicContact CE1-CB 4.25Å; F167-L199 HydrophobicContact CE2-CD1 3.62Å; F167-L199 HydrophobicContact CZ-CB 4.12Å; F167-L199 HydrophobicContact CZ-CD1 3.87Å; F169-L199 HydrophobicContact CB-CD1 3.72Å; Q188-L199 HydrophobicContact CG-CD2 3.62Å; A191-L199 HydrophobicContact CB-CB 4.11Å; L199-Y201 PolarHBondContact O-N 3.46Å
200	A	92.1	Very high	91.7	Very high	37 Å²	37	67.7 Å²	67.7	31%	0.306	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	-35.4	-171.9	0	0	0	0	0	113.6	E166 F167 V168 S198	E166-A200 HydrophobicContact CG-CB 3.65Å; E166-A200 VanDerWaalsContact OE1-CB 3.29Å; E166-A200 WeakPolarHBondContact OE1-CB 3.27Å; F167-A200 PolarHBondContact O-N 2.74Å; V168-A200 HydrophobicContact CG2-CB 4.31Å; S198-A200 PolarHBondContact O-N 3.13Å
201	Y	94.4	Very high	91.6	Very high	61 Å²	61	74.9 Å²	74.9	24%	0.239	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	147.5	-178	-166.9	-126.6	0	0	0	111.6	V168 F169 L199 F203 R223	V168-Y201 WeakPolarHBondContact CA-O 3.44Å; V168-Y201 HydrophobicContact CG1-CD1 4.32Å; F169-Y201 PolarHBondContact N-O 3.17Å; L199-Y201 PolarHBondContact O-N 3.46Å; Y201-F203 HydrophobicContact CD1-CB 4.09Å; Y201-F203 HydrophobicContact CE1-CB 3.72Å; Y201-F203 AromaticContact CE1-CD2 3.53Å; Y201-F203 HydrophobicContact CE1-CD2 3.53Å; Y201-F203 HydrophobicContact CE1-CG 4.05Å; Y201-F203 AromaticContact CZ-CD2 3.88Å; Y201-R223 VanDerWaalsContact CD1-CD 3.41Å; Y201-R223 PolarHBondContact OH-NH1 2.91Å
202	T	95.5	Very high	91.7	Very high	40 Å²	40	76.3 Å²	76.3	25%	0.245	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.1	170.8	-61.4	0	0	0	0	108.4	F169 Y171 K184	F169-T202 HydrophobicContact CD1-CG2 4.24Å; F169-T202 CarbonylContact O-C 3.51Å; F169-T202 VanDerWaalsContact O-CA 3.26Å; F169-T202 WeakPolarHBondContact O-CA 3.47Å; Y171-T202 HydrophobicContact CD1-CG2 4.14Å; Y171-T202 HydrophobicContact CE1-CG2 3.76Å; K184-T202 HydrophobicContact CD-CG2 4.24Å; K184-T202 HydrophobicContact CG-CG2 4.04Å
203	F	95.4	Very high	91.7	Very high	44 Å²	44	71.6 Å²	71.6	19%	0.193	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.9	-178.9	-166.4	-93.9	0	0	0	112	F169 L170 Y171 Y201 A216 E219 I220	F169-F203 PolarHBondContact O-N 3.28Å; L170-F203 WeakPolarHBondContact CA-O 3.32Å; L170-F203 HydrophobicContact CD1-CB 4.04Å; L170-F203 HydrophobicContact CD1-CD1 3.76Å; L170-F203 HydrophobicContact CD1-CG 4.36Å; Y171-F203 VanDerWaalsContact CD1-O 3.26Å; Y171-F203 WeakPolarHBondContact CD1-O 3.33Å; Y171-F203 PolarHBondContact N-O 2.98Å; Y201-F203 HydrophobicContact CD1-CB 4.09Å; Y201-F203 HydrophobicContact CE1-CB 3.72Å; Y201-F203 AromaticContact CE1-CD2 3.53Å; Y201-F203 HydrophobicContact CE1-CD2 3.53Å; Y201-F203 HydrophobicContact CE1-CG 4.05Å; Y201-F203 AromaticContact CZ-CD2 3.88Å; F203-A216 HydrophobicContact CD1-CB 3.67Å; F203-A216 HydrophobicContact CE1-CB 3.39Å; F203-A216 HydrophobicContact CZ-CB 4.42Å; F203-E219 HydrophobicContact CD2-CB 4.41Å; F203-E219 HydrophobicContact CE2-CB 4.04Å; F203-E219 HydrophobicContact CE2-CG 4.16Å; F203-E219 HydrophobicContact CZ-CB 4.37Å; F203-E219 HydrophobicContact CZ-CG 4.4Å; F203-I220 HydrophobicContact CB-CG2 4.09Å
204	R	95	Very high	91.9	Very high	133 Å²	133	73 Å²	73	50%	0.502	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.6	174.9	-174.2	175.1	165.6	169.9	-1.9	110.5	Y171	Y171-R204 HydrophobicContact CD1-CB 4.38Å; Y171-R204 HydrophobicContact CD2-CG 4.43Å; Y171-R204 HydrophobicContact CE1-CB 3.69Å; Y171-R204 HydrophobicContact CE1-CG 4.28Å; Y171-R204 HydrophobicContact CE2-CB 4.17Å; Y171-R204 HydrophobicContact CE2-CG 3.84Å; Y171-R204 CarbonylContact O-C 3.49Å; Y171-R204 WeakPolarHBondContact O-CA 3.32Å
205	I	94	Very high	92.1	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	133.2	169.8	-47.9	179.6	0	0	0	108.6	L170 Y171 C172 S207 D212 M213 A216 V231 L241	L170-I205 HydrophobicContact CD1-CD1 3.91Å; L170-I205 HydrophobicContact CD1-CG1 3.59Å; L170-I205 HydrophobicContact CD2-CD1 4.04Å; L170-I205 HydrophobicContact CG-CD1 3.91Å; L170-I205 HydrophobicContact CG-CG1 4.11Å; Y171-I205 PolarHBondContact O-N 3.43Å; C172-I205 HydrophobicContact CB-CB 3.91Å; C172-I205 HydrophobicContact CB-CD1 4.32Å; C172-I205 HydrophobicContact CB-CG1 4.41Å; I205-S207 VanDerWaalsContact CG2-O 3.24Å; I205-S207 WeakPolarHBondContact CG2-O 3.24Å; I205-D212 HydrophobicContact CG2-CB 4.2Å; I205-M213 HydrophobicContact CD1-CG 4.36Å; I205-M213 HydrophobicContact CG2-CG 4.05Å; I205-A216 HydrophobicContact CD1-CB 4.35Å; I205-A216 HydrophobicContact CG1-CB 3.82Å; I205-V231 HydrophobicContact CD1-CG1 4.46Å; I205-L241 HydrophobicContact CD1-CD1 4.14Å
206	Q	91.1	Very high	92.5	Very high	163 Å²	163	63.7 Å²	63.7	76%	0.762	31%	0.313	S	S	*	.	S	Bend	trans	-71.2	-44.5	-175.6	-65	-173.3	4.6	0	0	113
207	S	90.8	Very high	93	Very high	16 Å²	16	57 Å²	57	11%	0.112	28%	0.282	C	S	.	.			trans	-145.3	170.4	178.2	86.2	0	0	0	0	112.4	D174 I205 K209 D212	D174-S207 WeakPolarHBondContact OD2-CA 3.39Å; D174-S207 WeakPolarHBondContact OD2-CB 3.26Å; I205-S207 VanDerWaalsContact CG2-O 3.24Å; I205-S207 WeakPolarHBondContact CG2-O 3.24Å; S207-K209 PolarHBondContact O-N 3.5Å; S207-K209 VanDerWaalsContact OG-CB 3.31Å; S207-K209 WeakPolarHBondContact OG-CB 3.39Å; S207-K209 VanDerWaalsContact OG-CG 3.3Å; S207-K209 WeakPolarHBondContact OG-CG 3.38Å; S207-K209 PolarHBondContact OG-N 3.44Å; S207-K209 VanDerWaalsContact OG-N 3.12Å; S207-D212 VanDerWaalsContact CB-OD2 3.31Å; S207-D212 WeakPolarHBondContact CB-OD2 3.44Å; S207-D212 PolarHBondContact OG-OD2 2.96Å
208	K	87.7	Confident	93.2	Very high	36 Å²	36	58.8 Å²	58.8	16%	0.157	29%	0.294	C	S	.	.	S	Bend	trans	-70.5	-4.3	173.9	-66.9	171.4	-177.9	-159.1	0	114	D174 M213 S237 F284	D174-K208 HydrophobicContact CB-CG 4.09Å; D174-K208 WeakPolarHBondContact O-CE 3.15Å; D174-K208 WeakPolarHBondContact OD2-CG 3.32Å; D174-K208 PolarHBondContact OD2-N 3.35Å; K208-M213 HydrophobicContact CB-CE 4.33Å; K208-S237 VanDerWaalsContact CD-OG 3.25Å; K208-S237 WeakPolarHBondContact CD-OG 3.4Å; K208-F284 HydrophobicContact CB-CZ 4.2Å; K208-F284 HydrophobicContact CD-CE2 4.23Å; K208-F284 HydrophobicContact CD-CZ 4.42Å
209	K	88.9	Confident	93.3	Very high	135 Å²	135	58.6 Å²	58.6	59%	0.587	29%	0.286	S	S	*	.	S	Bend	trans	-66.8	143.5	-178.9	-65.3	176.4	-178.7	179.9	0	110.8	S207 E211 D212 M213	S207-K209 PolarHBondContact O-N 3.5Å; S207-K209 VanDerWaalsContact OG-CB 3.31Å; S207-K209 WeakPolarHBondContact OG-CB 3.39Å; S207-K209 VanDerWaalsContact OG-CG 3.3Å; S207-K209 WeakPolarHBondContact OG-CG 3.38Å; S207-K209 PolarHBondContact OG-N 3.44Å; S207-K209 VanDerWaalsContact OG-N 3.12Å; K209-E211 PolarHBondContact O-N 3.1Å; K209-D212 PolarHBondContact O-N 3.26Å; K209-M213 WeakPolarHBondContact O-CG 3.27Å; K209-M213 PolarHBondContact O-N 3.36Å; K209-M213 VanDerWaalsContact O-N 3.11Å
210	L	89.4	Confident	93.2	Very high	57 Å²	57	56.6 Å²	56.6	30%	0.298	28%	0.276	S	S	.	.	H	α-helix	trans	-55.3	-39	180	-177	64.7	0	0	0	112.5	M213 R214 T240 Q243 A244 L247	L210-M213 PolarHBondContact O-N 3.32Å; L210-R214 HydrophobicContact CD1-CG 4.35Å; L210-R214 HydrophobicContact CG-CG 4.36Å; L210-R214 WeakPolarHBondContact O-CB 3.48Å; L210-R214 VanDerWaalsContact O-CG 3.24Å; L210-R214 WeakPolarHBondContact O-CG 3.45Å; L210-R214 PolarHBondContact O-N 3.45Å; L210-T240 HydrophobicContact CB-CG2 3.87Å; L210-T240 HydrophobicContact CD1-CG2 3.83Å; L210-T240 HydrophobicContact CG-CG2 4.48Å; L210-Q243 HydrophobicContact CD1-CB 4.18Å; L210-A244 HydrophobicContact CD1-CB 4.03Å; L210-L247 HydrophobicContact CD1-CD1 4.2Å; L210-L247 HydrophobicContact CD2-CD1 3.95Å; L210-L247 HydrophobicContact CG-CD1 4.37Å
211	E	92.4	Very high	93.2	Very high	156 Å²	156	57.3 Å²	57.3	73%	0.729	27%	0.272	S	S	*	.	H	α-helix	trans	-59.6	-47.1	179.5	-63.9	178.1	172.2	0	0	112.4	K209 R214 A215	K209-E211 PolarHBondContact O-N 3.1Å; E211-R214 PolarHBondContact O-N 2.85Å; E211-A215 PolarHBondContact O-N 3.03Å
212	D	93.5	Very high	93.1	Very high	43 Å²	43	60 Å²	60	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-38.1	179.5	-67.7	-35.8	0	0	0	111.6	I205 S207 K209 A215 A216	I205-D212 HydrophobicContact CG2-CB 4.2Å; S207-D212 VanDerWaalsContact CB-OD2 3.31Å; S207-D212 WeakPolarHBondContact CB-OD2 3.44Å; S207-D212 PolarHBondContact OG-OD2 2.96Å; K209-D212 PolarHBondContact O-N 3.26Å; D212-A215 PolarHBondContact O-N 2.87Å; D212-A216 WeakPolarHBondContact O-CB 3.44Å; D212-A216 PolarHBondContact O-N 3.5Å
213	M	93.2	Very high	92.9	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-42.7	173.9	-66.3	-162.6	177.8	0	0	111.3	I205 K208 K209 L210 A216 I217 S237 T240 L241 A244	I205-M213 HydrophobicContact CD1-CG 4.36Å; I205-M213 HydrophobicContact CG2-CG 4.05Å; K208-M213 HydrophobicContact CB-CE 4.33Å; K209-M213 WeakPolarHBondContact O-CG 3.27Å; K209-M213 PolarHBondContact O-N 3.36Å; K209-M213 VanDerWaalsContact O-N 3.11Å; L210-M213 PolarHBondContact O-N 3.32Å; M213-A216 WeakPolarHBondContact O-CB 3.16Å; M213-A216 PolarHBondContact O-N 3.14Å; M213-I217 WeakPolarHBondContact O-CG1 3.47Å; M213-I217 PolarHBondContact O-N 3Å; M213-S237 WeakPolarHBondContact CE-O 3.41Å; M213-T240 HydrophobicContact CE-CG2 4.49Å; M213-T240 VanDerWaalsContact SD-C 3.53Å; M213-T240 HydrophobicContact SD-CG2 3.74Å; M213-L241 HydrophobicContact CB-CD1 4.43Å; M213-L241 HydrophobicContact CE-CB 4.43Å; M213-L241 WeakPolarHBondContact SD-CA 3.41Å; M213-L241 HydrophobicContact SD-CB 3.61Å; M213-L241 HydrophobicContact SD-CD1 4.25Å; M213-L241 PolarHBondContact SD-N 2.81Å; M213-A244 HydrophobicContact CB-CB 3.77Å
214	R	94.7	Very high	92.7	Very high	101 Å²	101	60 Å²	60	38%	0.381	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-45.6	175.4	-73.9	177.7	69.4	-176.2	0.7	111.9	L210 E211 A216 I217 V218 A244 L247 E248	L210-R214 HydrophobicContact CD1-CG 4.35Å; L210-R214 HydrophobicContact CG-CG 4.36Å; L210-R214 WeakPolarHBondContact O-CB 3.48Å; L210-R214 VanDerWaalsContact O-CG 3.24Å; L210-R214 WeakPolarHBondContact O-CG 3.45Å; L210-R214 PolarHBondContact O-N 3.45Å; E211-R214 PolarHBondContact O-N 2.85Å; R214-A216 PolarHBondContact O-N 3.44Å; R214-I217 PolarHBondContact O-N 3.15Å; R214-I217 VanDerWaalsContact O-N 3.11Å; R214-V218 WeakPolarHBondContact O-CG2 3.35Å; R214-V218 PolarHBondContact O-N 3.41Å; R214-A244 HydrophobicContact CB-CB 4.44Å; R214-A244 HydrophobicContact CG-CB 3.68Å; R214-L247 HydrophobicContact CG-CD1 4.5Å; R214-E248 HydrophobicContact CB-CG 4.38Å; R214-E248 HydrophobicContact CG-CG 4.46Å; R214-E248 IonicContact CZ-OE1 3.01Å; R214-E248 VanDerWaalsContact CZ-OE1 3.26Å; R214-E248 IonicContact NE-OE1 2.56Å; R214-E248 PolarHBondContact NE-OE1 3.21Å; R214-E248 IonicContact NH2-OE1 2.73Å; R214-E248 PolarHBondContact NH2-OE1 2.98Å
215	A	95.5	Very high	92.7	Very high	53 Å²	53	54.7 Å²	54.7	44%	0.438	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-40.7	175.4	0	0	0	0	0	111.6	E211 D212 V218 E219	E211-A215 PolarHBondContact O-N 3.03Å; D212-A215 PolarHBondContact O-N 2.87Å; A215-V218 PolarHBondContact O-N 3.23Å; A215-E219 PolarHBondContact O-N 3.02Å
216	A	95.6	Very high	92.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-44.8	174.5	0	0	0	0	0	112.4	L170 F203 I205 D212 M213 R214 V218 E219 I220	L170-A216 HydrophobicContact CD1-CB 3.97Å; F203-A216 HydrophobicContact CD1-CB 3.67Å; F203-A216 HydrophobicContact CE1-CB 3.39Å; F203-A216 HydrophobicContact CZ-CB 4.42Å; I205-A216 HydrophobicContact CD1-CB 4.35Å; I205-A216 HydrophobicContact CG1-CB 3.82Å; D212-A216 WeakPolarHBondContact O-CB 3.44Å; D212-A216 PolarHBondContact O-N 3.5Å; M213-A216 WeakPolarHBondContact O-CB 3.16Å; M213-A216 PolarHBondContact O-N 3.14Å; R214-A216 PolarHBondContact O-N 3.44Å; A216-V218 VanDerWaalsContact C-N 3.33Å; A216-V218 PolarHBondContact O-N 3.26Å; A216-E219 PolarHBondContact O-N 3.29Å; A216-E219 VanDerWaalsContact O-N 3.14Å; A216-I220 WeakPolarHBondContact O-CG2 3.37Å; A216-I220 PolarHBondContact O-N 2.81Å
217	I	95.9	Very high	93.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-42.7	176.9	-62.6	-49.9	0	0	0	111.1	L170 M213 R214 E219 I220 K221 L241 A244 V245 E248 A250	L170-I217 HydrophobicContact CD2-CD1 4.23Å; M213-I217 WeakPolarHBondContact O-CG1 3.47Å; M213-I217 PolarHBondContact O-N 3Å; R214-I217 PolarHBondContact O-N 3.15Å; R214-I217 VanDerWaalsContact O-N 3.11Å; I217-E219 VanDerWaalsContact C-N 3.26Å; I217-E219 PolarHBondContact O-N 2.79Å; I217-I220 HydrophobicContact CD1-CD1 3.58Å; I217-I220 HydrophobicContact CD1-CG1 4.47Å; I217-I220 WeakPolarHBondContact O-CG1 3.49Å; I217-I220 PolarHBondContact O-N 2.87Å; I217-K221 HydrophobicContact CG2-CD 3.82Å; I217-K221 HydrophobicContact CG2-CG 4.08Å; I217-K221 WeakPolarHBondContact O-CB 3.16Å; I217-K221 WeakPolarHBondContact O-CD 3.49Å; I217-K221 WeakPolarHBondContact O-CG 3.32Å; I217-K221 PolarHBondContact O-N 3.36Å; I217-K221 VanDerWaalsContact O-N 3.12Å; I217-L241 HydrophobicContact CD1-CD1 3.92Å; I217-A244 HydrophobicContact CG1-CB 4.06Å; I217-V245 HydrophobicContact CD1-CG2 3.55Å; I217-V245 HydrophobicContact CG1-CG2 4.02Å; I217-E248 HydrophobicContact CB-CB 4.29Å; I217-E248 HydrophobicContact CB-CG 4.11Å; I217-E248 HydrophobicContact CG2-CB 3.57Å; I217-E248 HydrophobicContact CG2-CG 3.96Å; I217-A250 HydrophobicContact CG2-CB 3.91Å
218	V	94.9	Very high	93.5	Very high	57 Å²	57	46.1 Å²	46.1	35%	0.345	22%	0.218	S	C	.	.	H	α-helix	trans	-57.7	-39.2	175.9	171.4	0	0	0	0	111.8	R214 A215 A216 E248	R214-V218 WeakPolarHBondContact O-CG2 3.35Å; R214-V218 PolarHBondContact O-N 3.41Å; A215-V218 PolarHBondContact O-N 3.23Å; A216-V218 VanDerWaalsContact C-N 3.33Å; A216-V218 PolarHBondContact O-N 3.26Å; V218-E248 HydrophobicContact CG2-CG 4.16Å; V218-E248 WeakPolarHBondContact CG2-OE2 3.29Å
219	E	94.1	Very high	93.8	Very high	55 Å²	55	44.5 Å²	44.5	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-75.5	-40.2	-179.6	-77.4	-57	117.9	0	0	114	F203 A215 A216 I217 K222 R223	F203-E219 HydrophobicContact CD2-CB 4.41Å; F203-E219 HydrophobicContact CE2-CB 4.04Å; F203-E219 HydrophobicContact CE2-CG 4.16Å; F203-E219 HydrophobicContact CZ-CB 4.37Å; F203-E219 HydrophobicContact CZ-CG 4.4Å; A215-E219 PolarHBondContact O-N 3.02Å; A216-E219 PolarHBondContact O-N 3.29Å; A216-E219 VanDerWaalsContact O-N 3.14Å; I217-E219 VanDerWaalsContact C-N 3.26Å; I217-E219 PolarHBondContact O-N 2.79Å; E219-K222 IonicContact OE1-NZ 2.63Å; E219-K222 PolarHBondContact OE1-NZ 2.93Å; E219-R223 PolarHBondContact O-NH1 2.97Å; E219-R223 IonicContact OE2-NH1 2.74Å; E219-R223 PolarHBondContact OE2-NH1 2.78Å; E219-R223 VanDerWaalsContact OE2-NH1 3.16Å
220	I	93.6	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-74.1	-32.3	-178.4	68.4	-176.6	0	0	0	112.5	V168 L170 F203 A216 I217 K222 R223 G224 I227	V168-I220 HydrophobicContact CG1-CB 4.09Å; V168-I220 HydrophobicContact CG1-CG2 3.88Å; L170-I220 HydrophobicContact CD1-CG2 4.13Å; L170-I220 HydrophobicContact CD2-CD1 3.94Å; F203-I220 HydrophobicContact CB-CG2 4.09Å; A216-I220 WeakPolarHBondContact O-CG2 3.37Å; A216-I220 PolarHBondContact O-N 2.81Å; I217-I220 HydrophobicContact CD1-CD1 3.58Å; I217-I220 HydrophobicContact CD1-CG1 4.47Å; I217-I220 WeakPolarHBondContact O-CG1 3.49Å; I217-I220 PolarHBondContact O-N 2.87Å; I220-K222 PolarHBondContact O-N 2.71Å; I220-K222 VanDerWaalsContact O-N 3.09Å; I220-R223 PolarHBondContact O-N 3.28Å; I220-G224 PolarHBondContact O-N 2.86Å; I220-I227 HydrophobicContact CB-CD1 4.36Å; I220-I227 HydrophobicContact CD1-CD1 4.08Å; I220-I227 HydrophobicContact CD1-CG1 4.18Å; I220-I227 HydrophobicContact CD1-CG2 3.92Å; I220-I227 HydrophobicContact CG1-CD1 4.3Å
221	K	91.1	Very high	94	Very high	53 Å²	53	35.5 Å²	35.5	23%	0.23	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25	178.9	-75.2	172.9	77.1	-169.6	0	113	I217 R223 R225 E248 A250 Y255	I217-K221 HydrophobicContact CG2-CD 3.82Å; I217-K221 HydrophobicContact CG2-CG 4.08Å; I217-K221 WeakPolarHBondContact O-CB 3.16Å; I217-K221 WeakPolarHBondContact O-CD 3.49Å; I217-K221 WeakPolarHBondContact O-CG 3.32Å; I217-K221 PolarHBondContact O-N 3.36Å; I217-K221 VanDerWaalsContact O-N 3.12Å; K221-R223 VanDerWaalsContact C-N 3.27Å; K221-R225 PolarHBondContact O-NH1 3.03Å; K221-E248 HydrophobicContact CD-CB 4.4Å; K221-E248 WeakPolarHBondContact CE-O 3.18Å; K221-E248 PolarHBondContact NZ-O 2.84Å; K221-A250 HydrophobicContact CD-CB 3.79Å; K221-A250 HydrophobicContact CG-CB 3.98Å; K221-Y255 HydrophobicContact CB-CE1 4.43Å; K221-Y255 WeakPolarHBondContact CE-OH 3.45Å; K221-Y255 HydrophobicContact CG-CE1 3.88Å
222	K	91.8	Very high	93.5	Very high	116 Å²	116	28.2 Å²	28.2	50%	0.504	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.9	176.5	-60.7	171.5	-173.2	170.5	0	113.1	E219 I220 F465	E219-K222 IonicContact OE1-NZ 2.63Å; E219-K222 PolarHBondContact OE1-NZ 2.93Å; I220-K222 PolarHBondContact O-N 2.71Å; I220-K222 VanDerWaalsContact O-N 3.09Å; K222-F465 WeakPolarHBondContact O-CB 3.21Å
223	R	91.5	Very high	92.6	Very high	83 Å²	83	28 Å²	28	31%	0.313	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-20.1	-168.1	-62.7	-179.5	177	106.6	-12.5	114.5	V168 Y201 E219 I220 K221 F465	V168-R223 HydrophobicContact CG2-CB 4.32Å; Y201-R223 VanDerWaalsContact CD1-CD 3.41Å; Y201-R223 PolarHBondContact OH-NH1 2.91Å; E219-R223 PolarHBondContact O-NH1 2.97Å; E219-R223 IonicContact OE2-NH1 2.74Å; E219-R223 PolarHBondContact OE2-NH1 2.78Å; E219-R223 VanDerWaalsContact OE2-NH1 3.16Å; I220-R223 PolarHBondContact O-N 3.28Å; K221-R223 VanDerWaalsContact C-N 3.27Å; R223-F465 VanDerWaalsContact C-CE1 3.49Å; R223-F465 WeakPolarHBondContact O-CE1 3.26Å; R223-F465 VanDerWaalsContact O-CZ 3.31Å; R223-F465 WeakPolarHBondContact O-CZ 3.42Å
224	G	92.8	Very high	91.4	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.021	16%	0.156	C	C	.	.			trans	-152.4	163.8	-176.5	0	0	0	0	0	114.9	I220	I220-G224 PolarHBondContact O-N 2.86Å
225	R	95.2	Very high	90.1	Very high	22 Å²	22	28.5 Å²	28.5	8%	0.083	16%	0.157	C	C	.	.	S	Bend	trans	-122.1	-31.4	171.9	-72.9	-57	178	-84.5	1.7	112.6	K221 E254 Y255 V256 K458 F465	K221-R225 PolarHBondContact O-NH1 3.03Å; R225-E254 VanDerWaalsContact CB-O 3.31Å; R225-E254 WeakPolarHBondContact CB-O 3.27Å; R225-E254 WeakPolarHBondContact CD-O 3.37Å; R225-E254 IonicContact CZ-OE2 2.68Å; R225-E254 IonicContact NE-OE2 2.69Å; R225-E254 PolarHBondContact NE-OE2 3.09Å; R225-E254 IonicContact NH2-OE2 3.97Å; R225-E254 PolarHBondContact NH2-OE2 2.83Å; R225-Y255 VanDerWaalsContact CD-CE1 3.46Å; R225-Y255 PolarHBondContact NE-OH 3.25Å; R225-Y255 PolarHBondContact NH1-OH 2.87Å; R225-Y255 PolarHBondContact NH2-OH 2.72Å; R225-Y255 WeakPolarHBondContact O-CA 3.45Å; R225-V256 PolarHBondContact O-N 3.39Å; R225-K458 WeakPolarHBondContact CB-O 3.3Å; R225-F465 HydrophobicContact CG-CE1 4.46Å
226	I	96.8	Very high	89.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.4	171.1	-47.8	-53.7	0	0	0	107.7	L159 W164 F167 V168 V256 I258 P457 A459	L159-I226 HydrophobicContact CD2-CG2 3.7Å; W164-I226 HydrophobicContact CB-CG1 4.08Å; W164-I226 HydrophobicContact CD2-CD1 3.65Å; W164-I226 HydrophobicContact CD2-CG1 3.81Å; W164-I226 HydrophobicContact CD2-CG2 4.04Å; W164-I226 VanDerWaalsContact CE2-CD1 3.44Å; W164-I226 HydrophobicContact CE3-CD1 4.28Å; W164-I226 HydrophobicContact CE3-CG1 4.38Å; W164-I226 HydrophobicContact CE3-CG2 3.73Å; W164-I226 HydrophobicContact CG-CD1 3.89Å; W164-I226 HydrophobicContact CG-CG1 3.67Å; W164-I226 HydrophobicContact CG-CG2 4.45Å; W164-I226 HydrophobicContact CZ2-CD1 3.94Å; W164-I226 HydrophobicContact CZ3-CG2 4.23Å; F167-I226 CarbonylContact C-O 3.57Å; F167-I226 VanDerWaalsContact CA-O 3.32Å; F167-I226 WeakPolarHBondContact CA-O 3.35Å; F167-I226 HydrophobicContact CB-CB 4.08Å; F167-I226 HydrophobicContact CB-CG2 4.11Å; F167-I226 WeakPolarHBondContact CB-O 3.18Å; V168-I226 PolarHBondContact N-O 3.29Å; I226-V256 HydrophobicContact CD1-CB 4.13Å; I226-V256 HydrophobicContact CD1-CG2 4.18Å; I226-I258 HydrophobicContact CG2-CD1 4.21Å; I226-P457 HydrophobicContact CD1-CB 4.49Å; I226-A459 HydrophobicContact CG1-CB 4.44Å
227	I	97.1	Very high	88.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.8	-173.2	-49.8	-57.1	0	0	0	108.7	V168 L170 I220 V256 Y257 I258	V168-I227 HydrophobicContact CB-CD1 3.84Å; V168-I227 HydrophobicContact CG1-CD1 4.34Å; V168-I227 HydrophobicContact CG2-CD1 4.42Å; V168-I227 CarbonylContact O-C 3.6Å; V168-I227 WeakPolarHBondContact O-CA 3.34Å; L170-I227 HydrophobicContact CB-CG2 4.08Å; L170-I227 HydrophobicContact CD2-CG2 4.44Å; I220-I227 HydrophobicContact CB-CD1 4.36Å; I220-I227 HydrophobicContact CD1-CD1 4.08Å; I220-I227 HydrophobicContact CD1-CG1 4.18Å; I220-I227 HydrophobicContact CD1-CG2 3.92Å; I220-I227 HydrophobicContact CG1-CD1 4.3Å; I227-V256 PolarHBondContact N-O 3.24Å; I227-Y257 HydrophobicContact CB-CD1 3.73Å; I227-Y257 HydrophobicContact CB-CE1 3.84Å; I227-Y257 HydrophobicContact CG1-CD1 4.22Å; I227-Y257 HydrophobicContact CG1-CE1 3.84Å; I227-Y257 HydrophobicContact CG2-CD1 3.93Å; I227-Y257 HydrophobicContact CG2-CE1 3.99Å; I227-Y257 CarbonylContact O-C 3.55Å; I227-Y257 VanDerWaalsContact O-CA 3.28Å; I227-Y257 WeakPolarHBondContact O-CA 3.5Å; I227-I258 PolarHBondContact O-N 3.42Å
228	V	96.9	Very high	88.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.5	168.1	179	0	0	0	0	107.4	I155 F167 V168 F169 L170 I258	I155-V228 HydrophobicContact CD1-CG1 3.66Å; I155-V228 HydrophobicContact CG1-CG1 4.24Å; I155-V228 HydrophobicContact CG2-CG1 4.43Å; I155-V228 HydrophobicContact CG2-CG2 3.77Å; F167-V228 HydrophobicContact CD2-CB 4.18Å; F167-V228 HydrophobicContact CD2-CG2 3.55Å; F167-V228 HydrophobicContact CE2-CB 4.45Å; F167-V228 HydrophobicContact CE2-CG2 3.99Å; F167-V228 HydrophobicContact CG-CG2 4.42Å; V168-V228 PolarHBondContact O-N 3.36Å; F169-V228 CarbonylContact C-O 3.52Å; F169-V228 WeakPolarHBondContact CA-O 3.46Å; F169-V228 HydrophobicContact CD2-CB 3.89Å; F169-V228 HydrophobicContact CD2-CG1 3.58Å; F169-V228 HydrophobicContact CE2-CB 4.46Å; F169-V228 HydrophobicContact CE2-CG1 3.67Å; L170-V228 PolarHBondContact N-O 3.38Å; V228-I258 CarbonylContact C-O 3.49Å; V228-I258 VanDerWaalsContact CA-O 3.32Å; V228-I258 WeakPolarHBondContact CA-O 3.28Å; V228-I258 HydrophobicContact CG2-CB 4.34Å
229	A	94.9	Very high	88.3	Confident	2 Å²	2	23.8 Å²	23.8	2%	0.017	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.9	-174.3	0	0	0	0	0	112.4	L170 L241 I258 M259	L170-A229 HydrophobicContact CB-CB 4.47Å; L170-A229 CarbonylContact O-C 3.59Å; L170-A229 WeakPolarHBondContact O-CA 3.49Å; A229-L241 HydrophobicContact CB-CD2 4.05Å; A229-I258 PolarHBondContact N-O 3.46Å; A229-M259 HydrophobicContact CB-CE 4.26Å; A229-M259 HydrophobicContact CB-CG 4.07Å; A229-M259 WeakPolarHBondContact O-CA 3.29Å
230	C	93.4	Very high	88.1	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.3	169.3	-174.6	0	0	0	0	110.7	F169 L170 Y171 C172 C180 L183	F169-C230 HydrophobicContact CZ-CB 4.33Å; L170-C230 PolarHBondContact O-N 2.86Å; Y171-C230 CarbonylContact C-O 3.27Å; Y171-C230 WeakPolarHBondContact CA-O 3.16Å; C172-C230 PolarHBondContact N-O 2.83Å; C180-C230 WeakPolarHBondContact CA-SG 3.19Å; C180-C230 HydrophobicContact CB-CB 3.78Å; C180-C230 WeakPolarHBondContact CB-SG 3.31Å; C180-C230 WeakPolarHBondContact SG-CB 3.2Å; C180-C230 PolarHBondContact SG-O 2.84Å; C180-C230 CovalentContact SG-SG 2.05Å; C180-C230 PolarHBondContact SG-SG 2.96Å; L183-C230 HydrophobicContact CD2-CB 4.1Å
231	V	90.1	Very high	88.1	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.012	11%	0.113	C	C	.	.			trans	-133.8	159	172.3	-62.9	0	0	0	0	109.3	C172 K179 I205 S233 K238 L241	C172-V231 HydrophobicContact CB-CB 4.48Å; C172-V231 HydrophobicContact CB-CG1 3.97Å; K179-V231 PolarHBondContact NZ-O 2.95Å; I205-V231 HydrophobicContact CD1-CG1 4.46Å; V231-S233 PolarHBondContact O-N 3Å; V231-K238 HydrophobicContact CG2-CB 4.21Å; V231-K238 HydrophobicContact CG2-CG 3.52Å; V231-L241 HydrophobicContact CG1-CD2 3.89Å
232	A	81.6	Confident	88.2	Confident	2 Å²	2	19.1 Å²	19.1	2%	0.017	10%	0.102	C	C	.	.			trans	-51.8	140	177.4	0	0	0	0	0	112	D176	D176-A232 HydrophobicContact CB-CB 3.91Å
233	S	74	Confident	88.2	Confident	38 Å²	38	14 Å²	14	27%	0.266	8%	0.08	S	C	.	.			trans	-77.8	145.5	175.3	-53	0	0	0	0	109	K179 V231 E261	K179-S233 PolarHBondContact NZ-OG 3.42Å; V231-S233 PolarHBondContact O-N 3Å; S233-E261 PolarHBondContact OG-OE2 2.99Å
234	G	68.5	Low	88.2	Confident	37 Å²	37	10 Å²	10	38%	0.381	7%	0.065	S	C	.	.	S	Bend	trans	131.7	179.8	-178.2	0	0	0	0	0	113.6	G236	G234-G236 PolarHBondContact O-N 3.16Å
235	N	66.5	Low	88.3	Confident	76 Å²	76	10 Å²	10	41%	0.406	6%	0.064	S	C	.	.	S	Bend	trans	-69.7	95.3	-168.7	-75.5	7.1	0	0	0	111.4	V269 E271 H277 F284	N235-V269 WeakPolarHBondContact OD1-CG1 3.46Å; N235-E271 PolarHBondContact ND2-OE1 3.13Å; N235-H277 PolarHBondContact OD1-CE1 3.36Å; N235-F284 WeakPolarHBondContact O-CD2 3.24Å
236	G	78.7	Confident	88.2	Confident	2 Å²	2	9.6 Å²	9.6	2%	0.021	7%	0.066	C	C	.	.	S	Bend	trans	121.7	-27.7	156.9	0	0	0	0	0	116.6	G234 K238 R239 T240	G234-G236 PolarHBondContact O-N 3.16Å; G236-K238 PolarHBondContact O-N 3.21Å; G236-R239 CarbonylContact O-C 3.55Å; G236-R239 WeakPolarHBondContact O-CA 3.46Å; G236-R239 WeakPolarHBondContact O-CB 3.06Å; G236-R239 PolarHBondContact O-N 3.1Å; G236-T240 PolarHBondContact O-N 3.27Å; G236-T240 PolarHBondContact O-OG1 3.04Å
237	S	87	Confident	88.1	Confident	3 Å²	3	12.7 Å²	12.7	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-60.3	-43.2	-171.8	-56.1	0	0	0	0	114.2	K208 M213 R239 T240 L241	K208-S237 VanDerWaalsContact CD-OG 3.25Å; K208-S237 WeakPolarHBondContact CD-OG 3.4Å; M213-S237 WeakPolarHBondContact CE-O 3.41Å; S237-R239 VanDerWaalsContact C-N 3.35Å; S237-T240 PolarHBondContact O-N 3.21Å; S237-L241 PolarHBondContact O-N 3.41Å
238	K	89.6	Confident	88	Confident	4 Å²	4	14.3 Å²	14.3	2%	0.017	9%	0.09	C	C	.	.	H	α-helix	trans	-67.5	-37.9	175.7	-51	175.7	-157.3	-175.4	0	111.4	V231 G236 L241 M242 M259 E261 S264 L279 F304	V231-K238 HydrophobicContact CG2-CB 4.21Å; V231-K238 HydrophobicContact CG2-CG 3.52Å; G236-K238 PolarHBondContact O-N 3.21Å; K238-L241 WeakPolarHBondContact O-CB 3.08Å; K238-L241 PolarHBondContact O-N 3.09Å; K238-M242 WeakPolarHBondContact O-CG 3.29Å; K238-M242 PolarHBondContact O-N 2.78Å; K238-M259 HydrophobicContact CB-SD 4.27Å; K238-M259 HydrophobicContact CD-SD 4.2Å; K238-M259 HydrophobicContact CG-SD 4.19Å; K238-E261 WeakPolarHBondContact CD-OE1 3.43Å; K238-E261 VanDerWaalsContact CE-CD 3.45Å; K238-E261 WeakPolarHBondContact CE-OE1 3.35Å; K238-E261 VanDerWaalsContact CE-OE2 3.24Å; K238-E261 WeakPolarHBondContact CE-OE2 3.33Å; K238-E261 IonicContact NZ-OE1 3.44Å; K238-E261 PolarHBondContact NZ-OE1 2.93Å; K238-E261 IonicContact NZ-OE2 3.91Å; K238-E261 PolarHBondContact NZ-OE2 2.99Å; K238-S264 PolarHBondContact NZ-OG 3.28Å; K238-L279 HydrophobicContact CB-CD1 4.02Å; K238-L279 HydrophobicContact CB-CD2 3.77Å; K238-L279 HydrophobicContact CB-CG 4.29Å; K238-L279 HydrophobicContact CD-CD1 3.94Å; K238-L279 HydrophobicContact CD-CD2 3.92Å; K238-L279 HydrophobicContact CG-CD1 4.42Å; K238-F304 HydrophobicContact CD-CE1 4.16Å; K238-F304 HydrophobicContact CD-CZ 4.03Å
239	R	89.8	Confident	87.8	Confident	2 Å²	2	20 Å²	20	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-49.2	174.5	174.6	-171	174.5	106.5	4.7	110.5	G236 S237 L241 M242 Q243 W280 G282 D288 F290 S295 M299	G236-R239 CarbonylContact O-C 3.55Å; G236-R239 WeakPolarHBondContact O-CA 3.46Å; G236-R239 WeakPolarHBondContact O-CB 3.06Å; G236-R239 PolarHBondContact O-N 3.1Å; S237-R239 VanDerWaalsContact C-N 3.35Å; R239-L241 PolarHBondContact O-N 3.2Å; R239-M242 CarbonylContact O-C 3.48Å; R239-M242 PolarHBondContact O-N 3.34Å; R239-M242 VanDerWaalsContact O-N 3.11Å; R239-Q243 HydrophobicContact CG-CG 4.3Å; R239-Q243 WeakPolarHBondContact O-CB 3.14Å; R239-Q243 VanDerWaalsContact O-CG 3.27Å; R239-Q243 WeakPolarHBondContact O-CG 3.33Å; R239-Q243 PolarHBondContact O-N 3.11Å; R239-W280 PolarHBondContact NH1-O 3.28Å; R239-G282 WeakPolarHBondContact CD-O 3.49Å; R239-D288 IonicContact CZ-OD2 2.98Å; R239-D288 IonicContact NE-OD2 3.37Å; R239-D288 PolarHBondContact NE-OD2 2.81Å; R239-D288 IonicContact NH2-OD1 2.73Å; R239-D288 IonicContact NH2-OD2 3.5Å; R239-D288 PolarHBondContact NH2-OD2 3.21Å; R239-F290 PolarHBondContact NH2-O 3.22Å; R239-F290 VanDerWaalsContact NH2-O 3.14Å; R239-S295 PolarHBondContact NH2-OG 3.26Å; R239-M299 HydrophobicContact CB-CE 4.09Å; R239-M299 HydrophobicContact CG-CE 4.34Å
240	T	90.2	Very high	87.7	Confident	8 Å²	8	19.9 Å²	19.9	5%	0.049	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-38.4	176.3	-53.3	0	0	0	0	111.4	L210 M213 G236 S237 Q243 A244	L210-T240 HydrophobicContact CB-CG2 3.87Å; L210-T240 HydrophobicContact CD1-CG2 3.83Å; L210-T240 HydrophobicContact CG-CG2 4.48Å; M213-T240 HydrophobicContact CE-CG2 4.49Å; M213-T240 VanDerWaalsContact SD-C 3.53Å; M213-T240 HydrophobicContact SD-CG2 3.74Å; G236-T240 PolarHBondContact O-N 3.27Å; G236-T240 PolarHBondContact O-OG1 3.04Å; S237-T240 PolarHBondContact O-N 3.21Å; T240-Q243 PolarHBondContact O-N 3.38Å; T240-A244 PolarHBondContact O-N 3.16Å
241	L	92.2	Very high	87.6	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-47.4	175.3	179.4	59.1	0	0	0	111.2	L170 I205 M213 I217 A229 V231 S237 K238 R239 Q243 A244 V245 M259	L170-L241 HydrophobicContact CD2-CD1 3.91Å; L170-L241 HydrophobicContact CD2-CD2 4.35Å; I205-L241 HydrophobicContact CD1-CD1 4.14Å; M213-L241 HydrophobicContact CB-CD1 4.43Å; M213-L241 HydrophobicContact CE-CB 4.43Å; M213-L241 WeakPolarHBondContact SD-CA 3.41Å; M213-L241 HydrophobicContact SD-CB 3.61Å; M213-L241 HydrophobicContact SD-CD1 4.25Å; M213-L241 PolarHBondContact SD-N 2.81Å; I217-L241 HydrophobicContact CD1-CD1 3.92Å; A229-L241 HydrophobicContact CB-CD2 4.05Å; V231-L241 HydrophobicContact CG1-CD2 3.89Å; S237-L241 PolarHBondContact O-N 3.41Å; K238-L241 WeakPolarHBondContact O-CB 3.08Å; K238-L241 PolarHBondContact O-N 3.09Å; R239-L241 PolarHBondContact O-N 3.2Å; L241-Q243 VanDerWaalsContact C-N 3.32Å; L241-Q243 PolarHBondContact O-N 3.26Å; L241-A244 WeakPolarHBondContact O-CB 3.32Å; L241-A244 PolarHBondContact O-N 2.97Å; L241-A244 VanDerWaalsContact O-N 3.17Å; L241-V245 WeakPolarHBondContact O-CG2 3.39Å; L241-V245 PolarHBondContact O-N 3.35Å; L241-M259 HydrophobicContact CD2-CE 3.72Å; L241-M259 HydrophobicContact CG-CE 4.49Å
242	M	93.1	Very high	87.7	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-70.3	-28.9	179.6	-60.9	-50.2	-58.2	0	0	112.5	K238 R239 V245 A246 Y257 M259 S298 M299 L302	K238-M242 WeakPolarHBondContact O-CG 3.29Å; K238-M242 PolarHBondContact O-N 2.78Å; R239-M242 CarbonylContact O-C 3.48Å; R239-M242 PolarHBondContact O-N 3.34Å; R239-M242 VanDerWaalsContact O-N 3.11Å; M242-V245 HydrophobicContact CE-CB 4.28Å; M242-V245 HydrophobicContact CE-CG1 4.15Å; M242-V245 HydrophobicContact CE-CG2 4.31Å; M242-V245 WeakPolarHBondContact O-CB 3.14Å; M242-V245 PolarHBondContact O-N 3.07Å; M242-V245 HydrophobicContact SD-CG2 4.26Å; M242-A246 PolarHBondContact O-N 3.46Å; M242-Y257 HydrophobicContact CE-CD2 3.94Å; M242-Y257 HydrophobicContact CE-CE2 4.46Å; M242-Y257 HydrophobicContact CE-CG 4.13Å; M242-Y257 HydrophobicContact SD-CG 4.34Å; M242-M259 HydrophobicContact CG-CE 4.34Å; M242-M259 HydrophobicContact SD-CE 3.83Å; M242-S298 WeakPolarHBondContact CE-O 3.49Å; M242-S298 VanDerWaalsContact O-CB 3.29Å; M242-S298 WeakPolarHBondContact O-CB 3.1Å; M242-S298 PolarHBondContact O-OG 2.74Å; M242-M299 HydrophobicContact CB-CE 4.27Å; M242-M299 HydrophobicContact CB-CG 3.91Å; M242-M299 HydrophobicContact CG-CE 4.46Å; M242-M299 HydrophobicContact CG-CG 3.91Å; M242-L302 HydrophobicContact CE-CB 4.38Å; M242-L302 HydrophobicContact CG-CD2 4.2Å; M242-L302 HydrophobicContact SD-CD1 4.49Å; M242-L302 HydrophobicContact SD-CD2 4.39Å
243	Q	91.8	Very high	88.1	Confident	9 Å²	9	27.8 Å²	27.8	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-45.1	167.7	-71.8	172.6	-15.9	0	0	111.5	L210 R239 T240 L241 V245 A246 L247 D288 F290	L210-Q243 HydrophobicContact CD1-CB 4.18Å; R239-Q243 HydrophobicContact CG-CG 4.3Å; R239-Q243 WeakPolarHBondContact O-CB 3.14Å; R239-Q243 VanDerWaalsContact O-CG 3.27Å; R239-Q243 WeakPolarHBondContact O-CG 3.33Å; R239-Q243 PolarHBondContact O-N 3.11Å; T240-Q243 PolarHBondContact O-N 3.38Å; L241-Q243 VanDerWaalsContact C-N 3.32Å; L241-Q243 PolarHBondContact O-N 3.26Å; Q243-V245 VanDerWaalsContact C-N 3.27Å; Q243-V245 PolarHBondContact O-N 2.89Å; Q243-A246 PolarHBondContact O-N 3.11Å; Q243-A246 VanDerWaalsContact O-N 3.16Å; Q243-L247 WeakPolarHBondContact O-CB 3.28Å; Q243-L247 WeakPolarHBondContact O-CG 3.47Å; Q243-L247 PolarHBondContact O-N 3.35Å; Q243-D288 VanDerWaalsContact NE2-CG 3.3Å; Q243-D288 PolarHBondContact NE2-OD1 2.97Å; Q243-D288 PolarHBondContact NE2-OD2 2.99Å; Q243-D288 VanDerWaalsContact NE2-OD2 3.12Å; Q243-F290 HydrophobicContact CB-CD2 4.47Å; Q243-F290 HydrophobicContact CB-CE2 4.43Å; Q243-F290 HydrophobicContact CB-CZ 4.47Å; Q243-F290 HydrophobicContact CG-CB 4.24Å; Q243-F290 HydrophobicContact CG-CD1 3.92Å; Q243-F290 HydrophobicContact CG-CD2 4.15Å; Q243-F290 HydrophobicContact CG-CE1 4.34Å; Q243-F290 HydrophobicContact CG-CG 3.84Å
244	A	93.1	Very high	88.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-40.6	173.5	0	0	0	0	0	111.5	L210 M213 R214 I217 T240 L241 A246 L247 E248	L210-A244 HydrophobicContact CD1-CB 4.03Å; M213-A244 HydrophobicContact CB-CB 3.77Å; R214-A244 HydrophobicContact CB-CB 4.44Å; R214-A244 HydrophobicContact CG-CB 3.68Å; I217-A244 HydrophobicContact CG1-CB 4.06Å; T240-A244 PolarHBondContact O-N 3.16Å; L241-A244 WeakPolarHBondContact O-CB 3.32Å; L241-A244 PolarHBondContact O-N 2.97Å; L241-A244 VanDerWaalsContact O-N 3.17Å; A244-A246 PolarHBondContact O-N 3.47Å; A244-L247 PolarHBondContact O-N 2.91Å; A244-E248 WeakPolarHBondContact O-CB 3.37Å; A244-E248 WeakPolarHBondContact O-CG 3.45Å; A244-E248 PolarHBondContact O-N 2.96Å
245	V	94.8	Very high	90.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-46.3	173.8	168.8	0	0	0	0	111.5	I217 L241 M242 Q243 N249 A250 N251 Y257	I217-V245 HydrophobicContact CD1-CG2 3.55Å; I217-V245 HydrophobicContact CG1-CG2 4.02Å; L241-V245 WeakPolarHBondContact O-CG2 3.39Å; L241-V245 PolarHBondContact O-N 3.35Å; M242-V245 HydrophobicContact CE-CB 4.28Å; M242-V245 HydrophobicContact CE-CG1 4.15Å; M242-V245 HydrophobicContact CE-CG2 4.31Å; M242-V245 WeakPolarHBondContact O-CB 3.14Å; M242-V245 PolarHBondContact O-N 3.07Å; M242-V245 HydrophobicContact SD-CG2 4.26Å; Q243-V245 VanDerWaalsContact C-N 3.27Å; Q243-V245 PolarHBondContact O-N 2.89Å; V245-N249 PolarHBondContact O-N 2.86Å; V245-A250 VanDerWaalsContact CG1-C 3.45Å; V245-A250 HydrophobicContact CG1-CB 4.04Å; V245-A250 WeakPolarHBondContact CG1-O 3.39Å; V245-A250 PolarHBondContact O-N 3.34Å; V245-N251 HydrophobicContact CG1-CB 3.93Å; V245-Y257 HydrophobicContact CB-CE2 4.47Å; V245-Y257 HydrophobicContact CG1-CD2 4.38Å; V245-Y257 HydrophobicContact CG1-CE1 4.41Å; V245-Y257 HydrophobicContact CG1-CE2 3.48Å; V245-Y257 VanDerWaalsContact CG1-CE2 3.48Å; V245-Y257 WeakPolarHBondContact CG1-OH 3.37Å; V245-Y257 HydrophobicContact CG2-CD1 4.28Å; V245-Y257 HydrophobicContact CG2-CE1 3.54Å; V245-Y257 HydrophobicContact CG2-CE2 4.11Å; V245-Y257 VanDerWaalsContact CG2-CZ 3.45Å
246	A	93.3	Very high	91.6	Very high	15 Å²	15	24.4 Å²	24.4	12%	0.124	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-44.7	177.9	0	0	0	0	0	112.8	M242 Q243 A244 E248 N249 F290	M242-A246 PolarHBondContact O-N 3.46Å; Q243-A246 PolarHBondContact O-N 3.11Å; Q243-A246 VanDerWaalsContact O-N 3.16Å; A244-A246 PolarHBondContact O-N 3.47Å; A246-E248 PolarHBondContact O-N 3.33Å; A246-N249 PolarHBondContact O-N 2.96Å; A246-F290 HydrophobicContact CB-CE1 3.84Å; A246-F290 HydrophobicContact CB-CZ 4.07Å
247	L	93.6	Very high	92.5	Very high	65 Å²	65	24.3 Å²	24.3	34%	0.34	13%	0.133	S	C	.	.	H	α-helix	trans	-60.2	-33.3	178.4	-74.9	173.7	0	0	0	112.5	L210 R214 Q243 A244 N249 F290	L210-L247 HydrophobicContact CD1-CD1 4.2Å; L210-L247 HydrophobicContact CD2-CD1 3.95Å; L210-L247 HydrophobicContact CG-CD1 4.37Å; R214-L247 HydrophobicContact CG-CD1 4.5Å; Q243-L247 WeakPolarHBondContact O-CB 3.28Å; Q243-L247 WeakPolarHBondContact O-CG 3.47Å; Q243-L247 PolarHBondContact O-N 3.35Å; A244-L247 PolarHBondContact O-N 2.91Å; L247-N249 VanDerWaalsContact C-N 3.32Å; L247-F290 HydrophobicContact CD1-CE2 4.18Å; L247-F290 HydrophobicContact CD2-CE2 3.78Å; L247-F290 HydrophobicContact CD2-CZ 3.96Å; L247-F290 HydrophobicContact CG-CE2 3.81Å; L247-F290 HydrophobicContact CG-CZ 3.84Å
248	E	94.4	Very high	92.9	Very high	34 Å²	34	24.1 Å²	24.1	16%	0.159	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	13	176	-59.5	-53.2	138	0	0	112.9	R214 I217 V218 K221 A244 A246 A250	R214-E248 HydrophobicContact CB-CG 4.38Å; R214-E248 HydrophobicContact CG-CG 4.46Å; R214-E248 IonicContact CZ-OE1 3.01Å; R214-E248 VanDerWaalsContact CZ-OE1 3.26Å; R214-E248 IonicContact NE-OE1 2.56Å; R214-E248 PolarHBondContact NE-OE1 3.21Å; R214-E248 IonicContact NH2-OE1 2.73Å; R214-E248 PolarHBondContact NH2-OE1 2.98Å; I217-E248 HydrophobicContact CB-CB 4.29Å; I217-E248 HydrophobicContact CB-CG 4.11Å; I217-E248 HydrophobicContact CG2-CB 3.57Å; I217-E248 HydrophobicContact CG2-CG 3.96Å; V218-E248 HydrophobicContact CG2-CG 4.16Å; V218-E248 WeakPolarHBondContact CG2-OE2 3.29Å; K221-E248 HydrophobicContact CD-CB 4.4Å; K221-E248 WeakPolarHBondContact CE-O 3.18Å; K221-E248 PolarHBondContact NZ-O 2.84Å; A244-E248 WeakPolarHBondContact O-CB 3.37Å; A244-E248 WeakPolarHBondContact O-CG 3.45Å; A244-E248 PolarHBondContact O-N 2.96Å; A246-E248 PolarHBondContact O-N 3.33Å; E248-A250 PolarHBondContact O-N 3.35Å
249	N	92.9	Very high	93.2	Very high	118 Å²	118	24 Å²	24	63%	0.631	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	34.1	-179.9	-65.1	-60.5	0	0	0	114.2	V245 A246 L247 N252	V245-N249 PolarHBondContact O-N 2.86Å; A246-N249 PolarHBondContact O-N 2.96Å; L247-N249 VanDerWaalsContact C-N 3.32Å; N249-N252 PolarHBondContact O-ND2 3.34Å
250	A	93.4	Very high	93.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.			trans	-102.6	10.6	179.3	0	0	0	0	0	113.3	I217 K221 V245 E248 Y255 Y257	I217-A250 HydrophobicContact CG2-CB 3.91Å; K221-A250 HydrophobicContact CD-CB 3.79Å; K221-A250 HydrophobicContact CG-CB 3.98Å; V245-A250 VanDerWaalsContact CG1-C 3.45Å; V245-A250 HydrophobicContact CG1-CB 4.04Å; V245-A250 WeakPolarHBondContact CG1-O 3.39Å; V245-A250 PolarHBondContact O-N 3.34Å; E248-A250 PolarHBondContact O-N 3.35Å; A250-Y255 HydrophobicContact CB-CD1 4.42Å; A250-Y255 HydrophobicContact CB-CD2 4.42Å; A250-Y255 HydrophobicContact CB-CE1 4.35Å; A250-Y255 HydrophobicContact CB-CE2 4.38Å; A250-Y255 HydrophobicContact CB-CG 4.46Å; A250-Y255 WeakPolarHBondContact O-CB 3.28Å; A250-Y255 WeakPolarHBondContact O-CD2 3.2Å; A250-Y255 VanDerWaalsContact O-CG 3.23Å; A250-Y257 WeakPolarHBondContact CB-OH 3.49Å; A250-Y257 WeakPolarHBondContact O-CE2 3.21Å; A250-Y257 PolarHBondContact O-OH 3.47Å
251	N	91.8	Very high	93.1	Very high	42 Å²	42	23.7 Å²	23.7	23%	0.225	13%	0.129	C	C	.	.	S	Bend	trans	-94	12.1	171.7	62.8	-28.9	0	0	0	113.3	V245 N301	V245-N251 HydrophobicContact CG1-CB 3.93Å; N251-N301 PolarHBondContact O-ND2 3.3Å; N251-N301 VanDerWaalsContact O-ND2 3.12Å
252	N	91.2	Very high	92.6	Very high	63 Å²	63	24.2 Å²	24.2	34%	0.337	13%	0.133	S	C	.	.	S	Bend	trans	-77.9	175.5	179.2	70.7	46.8	0	0	0	112	N249 E254 Y255 N301	N249-N252 PolarHBondContact O-ND2 3.34Å; N252-E254 PolarHBondContact O-N 2.88Å; N252-E254 VanDerWaalsContact OD1-CB 3.27Å; N252-E254 WeakPolarHBondContact OD1-CB 3.47Å; N252-E254 WeakPolarHBondContact OD1-CG 3.35Å; N252-E254 PolarHBondContact OD1-N 2.94Å; N252-Y255 PolarHBondContact O-N 3.03Å; N252-Y255 VanDerWaalsContact O-N 3.15Å; N252-Y255 WeakPolarHBondContact OD1-CD2 3.15Å; N252-N301 PolarHBondContact O-ND2 3.2Å
253	S	90.4	Very high	91.9	Very high	66 Å²	66	25.8 Å²	25.8	46%	0.462	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-3.9	-175.9	59.5	0	0	0	0	115.6	P457	S253-P457 WeakPolarHBondContact O-CG 3.33Å
254	E	91.9	Very high	91.2	Very high	73 Å²	73	25.6 Å²	25.6	34%	0.341	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.5	174.1	-58.4	-162.1	136	0	0	113.3	R225 N252	R225-E254 VanDerWaalsContact CB-O 3.31Å; R225-E254 WeakPolarHBondContact CB-O 3.27Å; R225-E254 WeakPolarHBondContact CD-O 3.37Å; R225-E254 IonicContact CZ-OE2 2.68Å; R225-E254 IonicContact NE-OE2 2.69Å; R225-E254 PolarHBondContact NE-OE2 3.09Å; R225-E254 IonicContact NH2-OE2 3.97Å; R225-E254 PolarHBondContact NH2-OE2 2.83Å; N252-E254 PolarHBondContact O-N 2.88Å; N252-E254 VanDerWaalsContact OD1-CB 3.27Å; N252-E254 WeakPolarHBondContact OD1-CB 3.47Å; N252-E254 WeakPolarHBondContact OD1-CG 3.35Å; N252-E254 PolarHBondContact OD1-N 2.94Å
255	Y	94.8	Very high	90.5	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.027	15%	0.152	C	C	.	.			trans	-115.3	144.4	-169.8	-63.6	-97.1	0	0	0	112.7	K221 R225 A250 N252 N301	K221-Y255 HydrophobicContact CB-CE1 4.43Å; K221-Y255 WeakPolarHBondContact CE-OH 3.45Å; K221-Y255 HydrophobicContact CG-CE1 3.88Å; R225-Y255 VanDerWaalsContact CD-CE1 3.46Å; R225-Y255 PolarHBondContact NE-OH 3.25Å; R225-Y255 PolarHBondContact NH1-OH 2.87Å; R225-Y255 PolarHBondContact NH2-OH 2.72Å; R225-Y255 WeakPolarHBondContact O-CA 3.45Å; A250-Y255 HydrophobicContact CB-CD1 4.42Å; A250-Y255 HydrophobicContact CB-CD2 4.42Å; A250-Y255 HydrophobicContact CB-CE1 4.35Å; A250-Y255 HydrophobicContact CB-CE2 4.38Å; A250-Y255 HydrophobicContact CB-CG 4.46Å; A250-Y255 WeakPolarHBondContact O-CB 3.28Å; A250-Y255 WeakPolarHBondContact O-CD2 3.2Å; A250-Y255 VanDerWaalsContact O-CG 3.23Å; N252-Y255 PolarHBondContact O-N 3.03Å; N252-Y255 VanDerWaalsContact O-N 3.15Å; N252-Y255 WeakPolarHBondContact OD1-CD2 3.15Å; Y255-N301 VanDerWaalsContact O-CB 3.25Å; Y255-N301 WeakPolarHBondContact O-CB 3.33Å; Y255-N301 PolarHBondContact O-ND2 3.44Å
256	V	95.9	Very high	90.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.2	167.2	-178.6	0	0	0	0	108.7	W164 R225 I226 I227 I258 L303 W451 P457	W164-V256 HydrophobicContact CH2-CB 4.25Å; W164-V256 HydrophobicContact CH2-CG1 3.91Å; W164-V256 HydrophobicContact CH2-CG2 4.05Å; W164-V256 HydrophobicContact CZ2-CB 4.45Å; W164-V256 HydrophobicContact CZ2-CG2 3.88Å; W164-V256 HydrophobicContact CZ3-CG1 4.45Å; R225-V256 PolarHBondContact O-N 3.39Å; I226-V256 HydrophobicContact CD1-CB 4.13Å; I226-V256 HydrophobicContact CD1-CG2 4.18Å; I227-V256 PolarHBondContact N-O 3.24Å; V256-I258 HydrophobicContact CG1-CG1 4.17Å; V256-L303 HydrophobicContact CG1-CD1 3.9Å; V256-L303 HydrophobicContact CG1-CG 4.22Å; V256-W451 HydrophobicContact CG1-CH2 4.33Å; V256-W451 HydrophobicContact CG2-CH2 3.66Å; V256-W451 HydrophobicContact CG2-CZ3 3.67Å; V256-P457 HydrophobicContact CG2-CB 3.75Å; V256-P457 HydrophobicContact CG2-CG 3.42Å; V256-P457 VanDerWaalsContact CG2-CG 3.42Å
257	Y	96.8	Very high	90	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.5	174.2	-64.4	-92.1	0	0	0	108.9	I227 M242 V245 A250 N301 L302 L303	I227-Y257 HydrophobicContact CB-CD1 3.73Å; I227-Y257 HydrophobicContact CB-CE1 3.84Å; I227-Y257 HydrophobicContact CG1-CD1 4.22Å; I227-Y257 HydrophobicContact CG1-CE1 3.84Å; I227-Y257 HydrophobicContact CG2-CD1 3.93Å; I227-Y257 HydrophobicContact CG2-CE1 3.99Å; I227-Y257 CarbonylContact O-C 3.55Å; I227-Y257 VanDerWaalsContact O-CA 3.28Å; I227-Y257 WeakPolarHBondContact O-CA 3.5Å; M242-Y257 HydrophobicContact CE-CD2 3.94Å; M242-Y257 HydrophobicContact CE-CE2 4.46Å; M242-Y257 HydrophobicContact CE-CG 4.13Å; M242-Y257 HydrophobicContact SD-CG 4.34Å; V245-Y257 HydrophobicContact CB-CE2 4.47Å; V245-Y257 HydrophobicContact CG1-CD2 4.38Å; V245-Y257 HydrophobicContact CG1-CE1 4.41Å; V245-Y257 HydrophobicContact CG1-CE2 3.48Å; V245-Y257 VanDerWaalsContact CG1-CE2 3.48Å; V245-Y257 WeakPolarHBondContact CG1-OH 3.37Å; V245-Y257 HydrophobicContact CG2-CD1 4.28Å; V245-Y257 HydrophobicContact CG2-CE1 3.54Å; V245-Y257 HydrophobicContact CG2-CE2 4.11Å; V245-Y257 VanDerWaalsContact CG2-CZ 3.45Å; A250-Y257 WeakPolarHBondContact CB-OH 3.49Å; A250-Y257 WeakPolarHBondContact O-CE2 3.21Å; A250-Y257 PolarHBondContact O-OH 3.47Å; Y257-N301 PolarHBondContact N-O 2.77Å; Y257-L302 CarbonylContact O-C 3.53Å; Y257-L302 WeakPolarHBondContact O-CA 3.39Å; Y257-L303 PolarHBondContact O-N 3.1Å
258	I	96.9	Very high	89.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.9	177.8	-54.7	174.2	0	0	0	107.6	T158 L159 W164 I226 I227 V228 A229 V256 L303 L305	T158-I258 HydrophobicContact CG2-CD1 4.15Å; L159-I258 HydrophobicContact CD2-CD1 4.14Å; W164-I258 HydrophobicContact CE3-CD1 4.42Å; W164-I258 HydrophobicContact CZ3-CD1 3.9Å; I226-I258 HydrophobicContact CG2-CD1 4.21Å; I227-I258 PolarHBondContact O-N 3.42Å; V228-I258 CarbonylContact C-O 3.49Å; V228-I258 VanDerWaalsContact CA-O 3.32Å; V228-I258 WeakPolarHBondContact CA-O 3.28Å; V228-I258 HydrophobicContact CG2-CB 4.34Å; A229-I258 PolarHBondContact N-O 3.46Å; V256-I258 HydrophobicContact CG1-CG1 4.17Å; I258-L303 CarbonylContact C-O 3.56Å; I258-L303 WeakPolarHBondContact CA-O 3.37Å; I258-L305 HydrophobicContact CG2-CD1 3.67Å; I258-L305 HydrophobicContact CG2-CG 3.9Å
259	M	95.1	Very high	89.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.9	174.2	-70.3	-177.9	-166.1	0	0	109.5	A229 K238 L241 M242 L302 L303 F304 L305	A229-M259 HydrophobicContact CB-CE 4.26Å; A229-M259 HydrophobicContact CB-CG 4.07Å; A229-M259 WeakPolarHBondContact O-CA 3.29Å; K238-M259 HydrophobicContact CB-SD 4.27Å; K238-M259 HydrophobicContact CD-SD 4.2Å; K238-M259 HydrophobicContact CG-SD 4.19Å; L241-M259 HydrophobicContact CD2-CE 3.72Å; L241-M259 HydrophobicContact CG-CE 4.49Å; M242-M259 HydrophobicContact CG-CE 4.34Å; M242-M259 HydrophobicContact SD-CE 3.83Å; M259-L302 HydrophobicContact CB-CD1 4.27Å; M259-L302 HydrophobicContact CE-CD1 3.79Å; M259-L302 HydrophobicContact CE-CD2 4.31Å; M259-L302 HydrophobicContact CG-CD1 3.75Å; M259-L302 HydrophobicContact SD-CD1 3.85Å; M259-L302 HydrophobicContact SD-CD2 4.25Å; M259-L303 PolarHBondContact N-O 3.47Å; M259-F304 HydrophobicContact CB-CD1 3.69Å; M259-F304 HydrophobicContact CB-CE1 3.53Å; M259-F304 HydrophobicContact CB-CZ 4.4Å; M259-F304 HydrophobicContact CG-CE1 4.3Å; M259-F304 CarbonylContact O-C 3.47Å; M259-F304 WeakPolarHBondContact O-CA 3.49Å; M259-F304 HydrophobicContact SD-CE1 3.92Å; M259-F304 HydrophobicContact SD-CZ 4.02Å; M259-L305 PolarHBondContact O-N 3.24Å
260	A	91.7	Very high	88.8	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.4	177.7	0	0	0	0	0	109.9	L151 I155 L183 L305	L151-A260 HydrophobicContact CB-CB 4.14Å; L151-A260 HydrophobicContact CD1-CB 4.43Å; L151-A260 HydrophobicContact CD2-CB 4.19Å; I155-A260 HydrophobicContact CD1-CB 3.78Å; I155-A260 HydrophobicContact CG1-CB 3.98Å; L183-A260 HydrophobicContact CD2-CB 4.31Å; A260-L305 CarbonylContact C-O 3.5Å; A260-L305 VanDerWaalsContact CA-O 3.28Å; A260-L305 WeakPolarHBondContact CA-O 3.3Å; A260-L305 HydrophobicContact CB-CB 4.05Å; A260-L305 HydrophobicContact CB-CD1 4.45Å
261	E	86.1	Confident	88.3	Confident	3 Å²	3	25.5 Å²	25.5	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132	-172.2	-70.2	-170.9	-136.1	0	0	112.9	K179 S233 K238 S264 L305 V306	K179-E261 IonicContact NZ-OE2 3.84Å; S233-E261 PolarHBondContact OG-OE2 2.99Å; K238-E261 WeakPolarHBondContact CD-OE1 3.43Å; K238-E261 VanDerWaalsContact CE-CD 3.45Å; K238-E261 WeakPolarHBondContact CE-OE1 3.35Å; K238-E261 VanDerWaalsContact CE-OE2 3.24Å; K238-E261 WeakPolarHBondContact CE-OE2 3.33Å; K238-E261 IonicContact NZ-OE1 3.44Å; K238-E261 PolarHBondContact NZ-OE1 2.93Å; K238-E261 IonicContact NZ-OE2 3.91Å; K238-E261 PolarHBondContact NZ-OE2 2.99Å; E261-S264 WeakPolarHBondContact OE2-CB 3.46Å; E261-L305 PolarHBondContact N-O 3.17Å; E261-V306 HydrophobicContact CB-CG1 4.33Å; E261-V306 WeakPolarHBondContact O-CA 3.47Å
262	T	80.8	Confident	88	Confident	11 Å²	11	26.7 Å²	26.7	7%	0.067	14%	0.141	C	C	.	.	S	Bend	trans	-73.5	-38.5	171.5	51.7	0	0	0	0	111.2	V146 L151 M309 Y352	V146-T262 WeakPolarHBondContact O-CG2 3.5Å; L151-T262 HydrophobicContact CD1-CG2 3.56Å; L151-T262 HydrophobicContact CG-CG2 4.33Å; T262-M309 WeakPolarHBondContact O-CE 3.37Å; T262-Y352 PolarHBondContact O-OH 3.17Å
263	N	78.7	Confident	87.7	Confident	34 Å²	34	24.3 Å²	24.3	18%	0.182	13%	0.132	C	C	.	.	S	Bend	trans	-109.7	49.7	-170.9	-169.5	17.7	0	0	0	113.4	L126 Y352	L126-N263 HydrophobicContact CD2-CB 3.63Å; N263-Y352 VanDerWaalsContact CA-OH 3.27Å; N263-Y352 WeakPolarHBondContact CA-OH 3.42Å; N263-Y352 PolarHBondContact N-OH 3.3Å
264	S	77.2	Confident	87.3	Confident	5 Å²	5	23 Å²	23	4%	0.035	13%	0.129	C	C	.	.			trans	-148.2	146.2	177	-161.4	0	0	0	0	111.4	K238 E261 G266 V306 M309	K238-S264 PolarHBondContact NZ-OG 3.28Å; E261-S264 WeakPolarHBondContact OE2-CB 3.46Å; S264-G266 PolarHBondContact O-N 3.34Å; S264-G266 PolarHBondContact OG-O 2.83Å; S264-G266 VanDerWaalsContact OG-O 3.13Å; S264-V306 VanDerWaalsContact O-CB 3.25Å; S264-V306 WeakPolarHBondContact O-CB 3.29Å; S264-V306 WeakPolarHBondContact O-CG1 3.41Å; S264-M309 WeakPolarHBondContact O-CE 3.25Å
265	R	79.6	Confident	87.1	Confident	65 Å²	65	24.4 Å²	24.4	25%	0.245	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-98.3	46.3	166.5	-68.2	-174.4	177.9	176.1	-3.9	110.2	F267 V268 E270 M309 M311 Y319	R265-F267 PolarHBondContact O-N 2.8Å; R265-V268 HydrophobicContact CB-CB 4.27Å; R265-V268 PolarHBondContact O-N 3.17Å; R265-E270 WeakPolarHBondContact CD-OE1 3.35Å; R265-E270 IonicContact CZ-OE1 3.68Å; R265-E270 IonicContact NE-OE1 2.95Å; R265-E270 PolarHBondContact NE-OE1 2.78Å; R265-E270 IonicContact NE-OE2 2.72Å; R265-E270 IonicContact NH1-OE1 3Å; R265-E270 PolarHBondContact NH1-OE1 3.15Å; R265-E270 IonicContact NH2-OE1 2.94Å; R265-M309 HydrophobicContact CG-CE 4.38Å; R265-M309 HydrophobicContact CG-SD 4.11Å; R265-M311 PolarHBondContact NH2-SD 3.3Å; R265-Y319 PolarHBondContact NH2-OH 3Å
266	G	86.7	Confident	86.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-113.8	-173.9	0	0	0	0	0	112.8	S264 V268 F304	S264-G266 PolarHBondContact O-N 3.34Å; S264-G266 PolarHBondContact OG-O 2.83Å; S264-G266 VanDerWaalsContact OG-O 3.13Å; G266-V268 VanDerWaalsContact C-N 3.27Å; G266-V268 PolarHBondContact O-N 2.72Å; G266-F304 VanDerWaalsContact CA-CG 3.5Å
267	F	89.5	Confident	86.3	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.2	-177.8	-65.8	-81.8	0	0	0	114.5	R265 Y278 L279 W280 M299 L302 F304 I416 L418 P424	R265-F267 PolarHBondContact O-N 2.8Å; F267-Y278 CarbonylContact O-C 3.47Å; F267-Y278 WeakPolarHBondContact O-CA 3.48Å; F267-L279 PolarHBondContact O-N 2.97Å; F267-W280 HydrophobicContact CB-CH2 4.38Å; F267-W280 HydrophobicContact CB-CZ3 3.89Å; F267-W280 HydrophobicContact CD1-CE3 4.19Å; F267-W280 AromaticContact CD1-CZ3 3.66Å; F267-W280 HydrophobicContact CD1-CZ3 3.66Å; F267-W280 HydrophobicContact CE1-CZ3 4.49Å; F267-W280 AromaticContact CG-CZ3 3.98Å; F267-W280 HydrophobicContact CG-CZ3 3.98Å; F267-M299 HydrophobicContact CD1-SD 4.47Å; F267-M299 HydrophobicContact CE1-CB 4.18Å; F267-L302 HydrophobicContact CE1-CB 4.24Å; F267-L302 HydrophobicContact CE1-CD2 3.9Å; F267-L302 HydrophobicContact CE1-CG 4.18Å; F267-L302 HydrophobicContact CZ-CB 4.18Å; F267-L302 HydrophobicContact CZ-CD2 4.41Å; F267-L302 HydrophobicContact CZ-CG 4.2Å; F267-L302 WeakPolarHBondContact CZ-O 3.28Å; F267-F304 HydrophobicContact CD1-CD2 4.21Å; F267-F304 AromaticContact CD1-CE2 3.79Å; F267-F304 HydrophobicContact CD1-CE2 3.79Å; F267-F304 AromaticContact CD2-CD2 3.88Å; F267-F304 HydrophobicContact CD2-CD2 3.88Å; F267-F304 HydrophobicContact CD2-CE2 4.27Å; F267-F304 HydrophobicContact CE1-CD2 4.09Å; F267-F304 AromaticContact CE1-CE2 3.8Å; F267-F304 HydrophobicContact CE1-CE2 3.8Å; F267-F304 AromaticContact CE2-CD2 3.74Å; F267-F304 HydrophobicContact CE2-CD2 3.74Å; F267-F304 HydrophobicContact CE2-CE2 4.28Å; F267-F304 HydrophobicContact CG-CD2 4.11Å; F267-F304 HydrophobicContact CG-CE2 4.04Å; F267-F304 AromaticContact CZ-CD2 3.85Å; F267-F304 HydrophobicContact CZ-CD2 3.85Å; F267-F304 HydrophobicContact CZ-CE2 4.05Å; F267-I416 HydrophobicContact CD2-CG2 3.95Å; F267-I416 HydrophobicContact CE2-CG2 4.11Å; F267-L418 HydrophobicContact CD1-CD2 4.12Å; F267-L418 HydrophobicContact CD1-CG 4.47Å; F267-L418 HydrophobicContact CD2-CD2 3.97Å; F267-L418 HydrophobicContact CE1-CD1 4.09Å; F267-L418 HydrophobicContact CE1-CD2 4Å; F267-L418 HydrophobicContact CE1-CG 3.88Å; F267-L418 HydrophobicContact CE2-CD2 3.87Å; F267-L418 HydrophobicContact CE2-CG 4.04Å; F267-L418 HydrophobicContact CG-CD2 4.09Å; F267-L418 HydrophobicContact CZ-CD1 4.31Å; F267-L418 HydrophobicContact CZ-CD2 3.89Å; F267-L418 HydrophobicContact CZ-CG 3.64Å; F267-P424 HydrophobicContact CB-CB 4.37Å; F267-P424 HydrophobicContact CB-CG 3.7Å; F267-P424 HydrophobicContact CD2-CB 3.97Å; F267-P424 HydrophobicContact CD2-CG 4.04Å; F267-P424 HydrophobicContact CG-CG 4.12Å
268	V	87	Confident	86	Confident	35 Å²	35	34.2 Å²	34.2	21%	0.212	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.9	178.5	-179.7	0	0	0	0	109.9	R265 G266 E270 W276 Y278	R265-V268 HydrophobicContact CB-CB 4.27Å; R265-V268 PolarHBondContact O-N 3.17Å; G266-V268 VanDerWaalsContact C-N 3.27Å; G266-V268 PolarHBondContact O-N 2.72Å; V268-E270 HydrophobicContact CG1-CG 4.32Å; V268-W276 HydrophobicContact CG1-CB 3.96Å; V268-W276 HydrophobicContact CG1-CD2 4.35Å; V268-W276 HydrophobicContact CG1-CE3 4.07Å; V268-W276 HydrophobicContact CG1-CG 4.33Å; V268-Y278 HydrophobicContact CG2-CD1 4.29Å; V268-Y278 HydrophobicContact CG2-CE1 4.16Å
269	V	86.2	Confident	85.6	Confident	19 Å²	19	34.4 Å²	34.4	12%	0.115	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116	171.5	-176.7	0	0	0	0	107.9	N235 W276 H277 L279	N235-V269 WeakPolarHBondContact OD1-CG1 3.46Å; V269-W276 VanDerWaalsContact O-CA 3.24Å; V269-W276 WeakPolarHBondContact O-CA 3.46Å; V269-H277 PolarHBondContact N-O 3.08Å; V269-H277 PolarHBondContact O-N 3.36Å; V269-L279 HydrophobicContact CG2-CB 4.32Å; V269-L279 HydrophobicContact CG2-CD1 3.66Å
270	E	82.9	Confident	85.3	Confident	40 Å²	40	34.4 Å²	34.4	19%	0.187	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.7	177.2	-65.3	167.2	129.8	0	0	109.8	V39 R265 V268 W276 K351	V39-E270 HydrophobicContact CG1-CB 4.05Å; R265-E270 WeakPolarHBondContact CD-OE1 3.35Å; R265-E270 IonicContact CZ-OE1 3.68Å; R265-E270 IonicContact NE-OE1 2.95Å; R265-E270 PolarHBondContact NE-OE1 2.78Å; R265-E270 IonicContact NE-OE2 2.72Å; R265-E270 IonicContact NH1-OE1 3Å; R265-E270 PolarHBondContact NH1-OE1 3.15Å; R265-E270 IonicContact NH2-OE1 2.94Å; V268-E270 HydrophobicContact CG1-CG 4.32Å; E270-W276 HydrophobicContact CG-CB 4.46Å; E270-K351 WeakPolarHBondContact OE2-CD 3.45Å; E270-K351 WeakPolarHBondContact OE2-CE 3.46Å; E270-K351 WeakPolarHBondContact OE2-CG 3.41Å; E270-K351 IonicContact OE2-NZ 2.82Å; E270-K351 PolarHBondContact OE2-NZ 3.16Å
271	E	83.9	Confident	85.1	Confident	71 Å²	71	37.9 Å²	37.9	33%	0.332	19%	0.189	S	C	.	.			trans	-109.5	174.5	177.9	-60.6	-167.3	154.6	0	0	110.4	N235 G274 K275 H277	N235-E271 PolarHBondContact ND2-OE1 3.13Å; E271-G274 PolarHBondContact O-N 2.97Å; E271-K275 HydrophobicContact CB-CB 4.11Å; E271-K275 PolarHBondContact N-O 3.09Å; E271-H277 IonicContact OE1-CE1 3.5Å; E271-H277 PolarHBondContact OE1-CE1 3.48Å; E271-H277 IonicContact OE1-ND1 3.11Å; E271-H277 PolarHBondContact OE1-ND1 2.89Å
272	V	84.8	Confident	84.7	Confident	66 Å²	66	38.1 Å²	38.1	40%	0.4	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-64.5	142.5	-179.5	-147.7	0	0	0	0	110.1	Q38 V39 E345	Q38-V272 HydrophobicContact CG-CG1 4.44Å; V39-V272 HydrophobicContact CG2-CG2 4.11Å; V272-E345 HydrophobicContact CB-CB 4.21Å; V272-E345 HydrophobicContact CG1-CB 3.25Å; V272-E345 WeakPolarHBondContact CG1-O 3.31Å
273	G	85	Confident	84.2	Confident	14 Å²	14	43.3 Å²	43.3	14%	0.144	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	73.2	22.1	-177.7	0	0	0	0	0	115.6	K275 E344 E345 S347	G273-K275 PolarHBondContact O-N 3.42Å; G273-E344 WeakPolarHBondContact CA-O 3.21Å; G273-E345 PolarHBondContact N-O 3.43Å; G273-S347 WeakPolarHBondContact CA-OG 3.43Å; G273-S347 PolarHBondContact O-OG 3.37Å
274	G	82.8	Confident	83.7	Confident	38 Å²	38	46.8 Å²	46.8	39%	0.392	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	76.3	4.5	174.6	0	0	0	0	0	114.7	E271 S348	E271-G274 PolarHBondContact O-N 2.97Å; G274-S348 VanDerWaalsContact CA-CB 3.41Å; G274-S348 VanDerWaalsContact N-CB 3.34Å
275	K	86.9	Confident	83.2	Confident	102 Å²	102	50.6 Å²	50.6	44%	0.443	25%	0.248	S	C	.	.			trans	-64.8	149.5	167.7	-69.4	171.6	-174.6	160.9	0	109	E271 G273 E344	E271-K275 HydrophobicContact CB-CB 4.11Å; E271-K275 PolarHBondContact N-O 3.09Å; G273-K275 PolarHBondContact O-N 3.42Å; K275-E344 WeakPolarHBondContact CE-OE1 3.41Å; K275-E344 IonicContact NZ-OE1 2.88Å; K275-E344 PolarHBondContact NZ-OE1 2.99Å; K275-E344 IonicContact NZ-OE2 3.86Å
276	W	86.1	Confident	82.5	Confident	142 Å²	142	55.1 Å²	55.1	54%	0.538	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	155.7	175	64.3	-91.4	0	0	0	109.6	V268 V269 E270 Y278	V268-W276 HydrophobicContact CG1-CB 3.96Å; V268-W276 HydrophobicContact CG1-CD2 4.35Å; V268-W276 HydrophobicContact CG1-CE3 4.07Å; V268-W276 HydrophobicContact CG1-CG 4.33Å; V269-W276 VanDerWaalsContact O-CA 3.24Å; V269-W276 WeakPolarHBondContact O-CA 3.46Å; E270-W276 HydrophobicContact CG-CB 4.46Å; W276-Y278 HydrophobicContact CH2-CE2 4.07Å; W276-Y278 HydrophobicContact CZ3-CD1 4.4Å; W276-Y278 AromaticContact CZ3-CD2 3.97Å; W276-Y278 HydrophobicContact CZ3-CD2 3.97Å; W276-Y278 HydrophobicContact CZ3-CE1 4.14Å; W276-Y278 AromaticContact CZ3-CE2 3.71Å; W276-Y278 HydrophobicContact CZ3-CE2 3.71Å; W276-Y278 HydrophobicContact CZ3-CG 4.32Å; W276-Y278 AromaticContact CZ3-CZ 3.8Å
277	H	88.7	Confident	81.5	Confident	22 Å²	22	59 Å²	59	10%	0.102	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	163.2	171.8	63.4	-86.7	0	0	0	108.7	N235 V269 E271 E281 G282	N235-H277 PolarHBondContact OD1-CE1 3.36Å; V269-H277 PolarHBondContact N-O 3.08Å; V269-H277 PolarHBondContact O-N 3.36Å; E271-H277 IonicContact OE1-CE1 3.5Å; E271-H277 PolarHBondContact OE1-CE1 3.48Å; E271-H277 IonicContact OE1-ND1 3.11Å; E271-H277 PolarHBondContact OE1-ND1 2.89Å; H277-E281 HydrophobicContact CB-CB 4.28Å; H277-G282 PolarHBondContact CD2-N 3.02Å; H277-G282 WeakPolarHBondContact NE2-CA 3.46Å
278	Y	89.5	Confident	80.7	Confident	49 Å²	49	60.3 Å²	60.3	19%	0.192	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	151.9	173.3	-70.7	-69.5	0	0	0	111.4	F267 V268 W276 W280 E281 P424	F267-Y278 CarbonylContact O-C 3.47Å; F267-Y278 WeakPolarHBondContact O-CA 3.48Å; V268-Y278 HydrophobicContact CG2-CD1 4.29Å; V268-Y278 HydrophobicContact CG2-CE1 4.16Å; W276-Y278 HydrophobicContact CH2-CE2 4.07Å; W276-Y278 HydrophobicContact CZ3-CD1 4.4Å; W276-Y278 AromaticContact CZ3-CD2 3.97Å; W276-Y278 HydrophobicContact CZ3-CD2 3.97Å; W276-Y278 HydrophobicContact CZ3-CE1 4.14Å; W276-Y278 AromaticContact CZ3-CE2 3.71Å; W276-Y278 HydrophobicContact CZ3-CE2 3.71Å; W276-Y278 HydrophobicContact CZ3-CG 4.32Å; W276-Y278 AromaticContact CZ3-CZ 3.8Å; Y278-W280 VanDerWaalsContact CB-NE1 3.34Å; Y278-W280 AromaticContact CD1-CH2 3.49Å; Y278-W280 HydrophobicContact CD1-CH2 3.49Å; Y278-W280 VanDerWaalsContact CD1-CH2 3.49Å; Y278-W280 AromaticContact CD1-CZ2 3.47Å; Y278-W280 HydrophobicContact CD1-CZ2 3.47Å; Y278-W280 VanDerWaalsContact CD1-CZ2 3.47Å; Y278-W280 HydrophobicContact CD1-CZ3 4.29Å; Y278-W280 AromaticContact CD2-CE2 3.91Å; Y278-W280 HydrophobicContact CD2-CH2 4.34Å; Y278-W280 AromaticContact CD2-CZ2 3.47Å; Y278-W280 HydrophobicContact CD2-CZ2 3.47Å; Y278-W280 VanDerWaalsContact CD2-CZ2 3.47Å; Y278-W280 AromaticContact CD2-NE1 3.96Å; Y278-W280 HydrophobicContact CE1-CH2 4.03Å; Y278-W280 HydrophobicContact CE1-CZ2 4.07Å; Y278-W280 HydrophobicContact CE2-CZ2 4.04Å; Y278-W280 HydrophobicContact CG-CD2 4.44Å; Y278-W280 AromaticContact CG-CE2 3.55Å; Y278-W280 AromaticContact CG-CH2 3.67Å; Y278-W280 HydrophobicContact CG-CH2 3.67Å; Y278-W280 AromaticContact CG-CZ2 3.12Å; Y278-W280 HydrophobicContact CG-CZ2 3.12Å; Y278-W280 HydrophobicContact CG-CZ3 4.48Å; Y278-W280 AromaticContact CG-NE1 3.9Å; Y278-W280 PolarHBondContact O-N 2.67Å; Y278-E281 PolarHBondContact N-OE2 2.93Å; Y278-E281 WeakPolarHBondContact O-CA 3.29Å; Y278-E281 WeakPolarHBondContact O-CB 3.48Å; Y278-E281 PolarHBondContact O-N 3.25Å; Y278-P424 HydrophobicContact CD1-CG 4.27Å; Y278-P424 HydrophobicContact CE1-CG 3.77Å
279	L	89.4	Confident	80.3	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.7	-177.8	-171.5	66.9	0	0	0	113.9	K238 F267 V269 E281 M299 F304	K238-L279 HydrophobicContact CB-CD1 4.02Å; K238-L279 HydrophobicContact CB-CD2 3.77Å; K238-L279 HydrophobicContact CB-CG 4.29Å; K238-L279 HydrophobicContact CD-CD1 3.94Å; K238-L279 HydrophobicContact CD-CD2 3.92Å; K238-L279 HydrophobicContact CG-CD1 4.42Å; F267-L279 PolarHBondContact O-N 2.97Å; V269-L279 HydrophobicContact CG2-CB 4.32Å; V269-L279 HydrophobicContact CG2-CD1 3.66Å; L279-E281 PolarHBondContact O-N 2.95Å; L279-M299 HydrophobicContact CB-CE 4.36Å; L279-M299 HydrophobicContact CB-SD 4.28Å; L279-M299 HydrophobicContact CD2-CE 3.94Å; L279-M299 HydrophobicContact CD2-SD 3.99Å; L279-M299 HydrophobicContact CG-CE 3.89Å; L279-M299 HydrophobicContact CG-SD 4.27Å; L279-F304 HydrophobicContact CD2-CE2 4.19Å; L279-F304 HydrophobicContact CD2-CZ 3.86Å
280	W	88.9	Confident	80.2	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	9.3	175.6	59.1	71.3	0	0	0	114.1	R239 F267 Y278 T292 R296 M299 L418 P424	R239-W280 PolarHBondContact NH1-O 3.28Å; F267-W280 HydrophobicContact CB-CH2 4.38Å; F267-W280 HydrophobicContact CB-CZ3 3.89Å; F267-W280 HydrophobicContact CD1-CE3 4.19Å; F267-W280 AromaticContact CD1-CZ3 3.66Å; F267-W280 HydrophobicContact CD1-CZ3 3.66Å; F267-W280 HydrophobicContact CE1-CZ3 4.49Å; F267-W280 AromaticContact CG-CZ3 3.98Å; F267-W280 HydrophobicContact CG-CZ3 3.98Å; Y278-W280 VanDerWaalsContact CB-NE1 3.34Å; Y278-W280 AromaticContact CD1-CH2 3.49Å; Y278-W280 HydrophobicContact CD1-CH2 3.49Å; Y278-W280 VanDerWaalsContact CD1-CH2 3.49Å; Y278-W280 AromaticContact CD1-CZ2 3.47Å; Y278-W280 HydrophobicContact CD1-CZ2 3.47Å; Y278-W280 VanDerWaalsContact CD1-CZ2 3.47Å; Y278-W280 HydrophobicContact CD1-CZ3 4.29Å; Y278-W280 AromaticContact CD2-CE2 3.91Å; Y278-W280 HydrophobicContact CD2-CH2 4.34Å; Y278-W280 AromaticContact CD2-CZ2 3.47Å; Y278-W280 HydrophobicContact CD2-CZ2 3.47Å; Y278-W280 VanDerWaalsContact CD2-CZ2 3.47Å; Y278-W280 AromaticContact CD2-NE1 3.96Å; Y278-W280 HydrophobicContact CE1-CH2 4.03Å; Y278-W280 HydrophobicContact CE1-CZ2 4.07Å; Y278-W280 HydrophobicContact CE2-CZ2 4.04Å; Y278-W280 HydrophobicContact CG-CD2 4.44Å; Y278-W280 AromaticContact CG-CE2 3.55Å; Y278-W280 AromaticContact CG-CH2 3.67Å; Y278-W280 HydrophobicContact CG-CH2 3.67Å; Y278-W280 AromaticContact CG-CZ2 3.12Å; Y278-W280 HydrophobicContact CG-CZ2 3.12Å; Y278-W280 HydrophobicContact CG-CZ3 4.48Å; Y278-W280 AromaticContact CG-NE1 3.9Å; Y278-W280 PolarHBondContact O-N 2.67Å; W280-T292 WeakPolarHBondContact O-CG2 3.48Å; W280-R296 HydrophobicContact CB-CB 4.11Å; W280-R296 HydrophobicContact CD2-CB 4.02Å; W280-R296 HydrophobicContact CD2-CG 3.91Å; W280-R296 HydrophobicContact CE3-CG 4.16Å; W280-R296 HydrophobicContact CG-CB 3.8Å; W280-R296 HydrophobicContact CG-CG 4.23Å; W280-R296 HydrophobicContact CZ2-CG 4.49Å; W280-M299 HydrophobicContact CB-CE 4.16Å; W280-M299 HydrophobicContact CB-SD 4.04Å; W280-M299 HydrophobicContact CE3-SD 3.94Å; W280-L418 HydrophobicContact CH2-CD2 4.12Å; W280-L418 HydrophobicContact CZ3-CD1 4.34Å; W280-L418 HydrophobicContact CZ3-CD2 3.87Å; W280-P424 HydrophobicContact CH2-CG 4.12Å
281	E	86.7	Confident	80.5	Confident	74 Å²	74	66.3 Å²	66.3	35%	0.346	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-30	172.3	-71.9	153.7	-165.3	0	0	111.4	H277 Y278 L279 K283 T292	H277-E281 HydrophobicContact CB-CB 4.28Å; Y278-E281 PolarHBondContact N-OE2 2.93Å; Y278-E281 WeakPolarHBondContact O-CA 3.29Å; Y278-E281 WeakPolarHBondContact O-CB 3.48Å; Y278-E281 PolarHBondContact O-N 3.25Å; L279-E281 PolarHBondContact O-N 2.95Å; E281-K283 PolarHBondContact O-N 3.35Å; E281-T292 HydrophobicContact CG-CG2 3.7Å
282	G	77.7	Confident	80.7	Confident	8 Å²	8	65.9 Å²	65.9	8%	0.082	35%	0.352	C	S	.	.			trans	-72.6	123.9	-176.6	0	0	0	0	0	112.6	R239 H277	R239-G282 WeakPolarHBondContact CD-O 3.49Å; H277-G282 PolarHBondContact CD2-N 3.02Å; H277-G282 WeakPolarHBondContact NE2-CA 3.46Å
283	K	70.9	Confident	80.9	Confident	121 Å²	121	66.3 Å²	66.3	53%	0.526	35%	0.35	S	S	.	.			trans	-96	138.8	178.8	-62.3	-175.3	179.8	-173.2	0	111.1	E281	E281-K283 PolarHBondContact O-N 3.35Å
284	F	67.1	Low	81.1	Confident	106 Å²	106	69.5 Å²	69.5	47%	0.465	36%	0.363	S	S	.	.	S	Bend	trans	-83.1	-40.7	172.4	-172.8	-105.8	0	0	0	112	K208 N235	K208-F284 HydrophobicContact CB-CZ 4.2Å; K208-F284 HydrophobicContact CD-CE2 4.23Å; K208-F284 HydrophobicContact CD-CZ 4.42Å; N235-F284 WeakPolarHBondContact O-CD2 3.24Å
285	D	66.7	Low	81.5	Confident	85 Å²	85	67.7 Å²	67.7	46%	0.455	35%	0.345	S	S	.	.			trans	-142.1	147.2	-174.6	-175.1	-1.1	0	0	0	108.1	S287 D288	D285-S287 PolarHBondContact O-N 3.48Å; D285-S287 PolarHBondContact OD1-N 3.19Å; D285-S287 PolarHBondContact OD2-OG 2.83Å; D285-D288 VanDerWaalsContact O-CB 3.32Å; D285-D288 WeakPolarHBondContact O-CB 3.41Å; D285-D288 PolarHBondContact O-N 3.19Å; D285-D288 VanDerWaalsContact O-N 3.1Å
286	D	65.1	Low	81.7	Confident	160 Å²	160	65.4 Å²	65.4	86%	0.856	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.9	174.5	-71.8	-32.5	0	0	0	111.9	D288	D286-D288 PolarHBondContact O-N 3.37Å
287	S	65.9	Low	81.8	Confident	81 Å²	81	60.7 Å²	60.7	57%	0.566	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	0.2	173.3	75.9	0	0	0	0	115	D285 T289	D285-S287 PolarHBondContact O-N 3.48Å; D285-S287 PolarHBondContact OD1-N 3.19Å; D285-S287 PolarHBondContact OD2-OG 2.83Å; S287-T289 PolarHBondContact O-N 2.67Å; S287-T289 VanDerWaalsContact O-N 3.14Å
288	D	73.5	Confident	81.9	Confident	30 Å²	30	59.7 Å²	59.7	16%	0.16	32%	0.316	C	S	.	.			trans	-63.5	111.7	179	-174.4	2.2	0	0	0	112.4	R239 Q243 D285 D286 F290	R239-D288 IonicContact CZ-OD2 2.98Å; R239-D288 IonicContact NE-OD2 3.37Å; R239-D288 PolarHBondContact NE-OD2 2.81Å; R239-D288 IonicContact NH2-OD1 2.73Å; R239-D288 IonicContact NH2-OD2 3.5Å; R239-D288 PolarHBondContact NH2-OD2 3.21Å; Q243-D288 VanDerWaalsContact NE2-CG 3.3Å; Q243-D288 PolarHBondContact NE2-OD1 2.97Å; Q243-D288 PolarHBondContact NE2-OD2 2.99Å; Q243-D288 VanDerWaalsContact NE2-OD2 3.12Å; D285-D288 VanDerWaalsContact O-CB 3.32Å; D285-D288 WeakPolarHBondContact O-CB 3.41Å; D285-D288 PolarHBondContact O-N 3.19Å; D285-D288 VanDerWaalsContact O-N 3.1Å; D286-D288 PolarHBondContact O-N 3.37Å; D288-F290 PolarHBondContact OD1-N 2.61Å
289	T	78.3	Confident	82.1	Confident	127 Å²	127	57.4 Å²	57.4	78%	0.779	31%	0.307	S	S	*	.			trans	-88.7	-13.4	-177	51.2	0	0	0	0	114.1	S287	S287-T289 PolarHBondContact O-N 2.67Å; S287-T289 VanDerWaalsContact O-N 3.14Å
290	F	83.8	Confident	82.1	Confident	38 Å²	38	58.6 Å²	58.6	17%	0.167	32%	0.318	C	S	.	.	S	Bend	trans	-78	133.9	-179.2	-89.6	-122.1	0	0	0	110.6	R239 Q243 A246 L247 D288 D294 S295	R239-F290 PolarHBondContact NH2-O 3.22Å; R239-F290 VanDerWaalsContact NH2-O 3.14Å; Q243-F290 HydrophobicContact CB-CD2 4.47Å; Q243-F290 HydrophobicContact CB-CE2 4.43Å; Q243-F290 HydrophobicContact CB-CZ 4.47Å; Q243-F290 HydrophobicContact CG-CB 4.24Å; Q243-F290 HydrophobicContact CG-CD1 3.92Å; Q243-F290 HydrophobicContact CG-CD2 4.15Å; Q243-F290 HydrophobicContact CG-CE1 4.34Å; Q243-F290 HydrophobicContact CG-CG 3.84Å; A246-F290 HydrophobicContact CB-CE1 3.84Å; A246-F290 HydrophobicContact CB-CZ 4.07Å; L247-F290 HydrophobicContact CD1-CE2 4.18Å; L247-F290 HydrophobicContact CD2-CE2 3.78Å; L247-F290 HydrophobicContact CD2-CZ 3.96Å; L247-F290 HydrophobicContact CG-CE2 3.81Å; L247-F290 HydrophobicContact CG-CZ 3.84Å; D288-F290 PolarHBondContact OD1-N 2.61Å; F290-D294 HydrophobicContact CB-CB 4.37Å; F290-D294 HydrophobicContact CD1-CB 3.57Å; F290-D294 HydrophobicContact CE1-CB 4.19Å; F290-D294 HydrophobicContact CG-CB 4.26Å; F290-S295 WeakPolarHBondContact CB-OG 3.39Å
291	S	88.8	Confident	82.3	Confident	54 Å²	54	58.9 Å²	58.9	38%	0.378	32%	0.319	S	S	.	.			trans	-64.4	160.8	167.5	76.8	0	0	0	0	110.8	E293 D294 S295	S291-E293 PolarHBondContact O-N 3.33Å; S291-E293 PolarHBondContact OG-N 3.36Å; S291-D294 VanDerWaalsContact CB-OD2 3.31Å; S291-D294 WeakPolarHBondContact CB-OD2 3.42Å; S291-D294 PolarHBondContact N-OD2 3.45Å; S291-D294 PolarHBondContact O-N 3.46Å; S291-D294 PolarHBondContact OG-N 3.44Å; S291-D294 PolarHBondContact OG-OD2 3.26Å; S291-S295 WeakPolarHBondContact O-CB 3.46Å; S291-S295 PolarHBondContact O-N 2.99Å; S291-S295 PolarHBondContact O-OG 3.02Å; S291-S295 VanDerWaalsContact O-OG 3.1Å
292	T	87.9	Confident	82.7	Confident	63 Å²	63	55.4 Å²	55.4	39%	0.387	30%	0.303	S	S	.	.	H	α-helix	trans	-54.3	-39.7	172.4	-56.2	0	0	0	0	111.1	W280 E281 S295 R296	W280-T292 WeakPolarHBondContact O-CG2 3.48Å; E281-T292 HydrophobicContact CG-CG2 3.7Å; T292-S295 PolarHBondContact O-N 3.43Å; T292-R296 WeakPolarHBondContact O-CB 3.36Å; T292-R296 PolarHBondContact O-N 3.15Å
293	E	89.4	Confident	83.5	Confident	75 Å²	75	55.3 Å²	55.3	35%	0.35	30%	0.301	S	S	.	.	H	α-helix	trans	-74.8	-36.2	-179.3	-167.5	56.5	-147.1	0	0	112.7	S291 S295 R296 T297 R422	S291-E293 PolarHBondContact O-N 3.33Å; S291-E293 PolarHBondContact OG-N 3.36Å; E293-S295 VanDerWaalsContact C-N 3.27Å; E293-S295 PolarHBondContact O-N 2.85Å; E293-R296 PolarHBondContact O-N 2.87Å; E293-R296 IonicContact OE2-CZ 2.9Å; E293-R296 IonicContact OE2-NE 3.26Å; E293-R296 IonicContact OE2-NH1 2.73Å; E293-R296 PolarHBondContact OE2-NH1 2.89Å; E293-T297 WeakPolarHBondContact O-CB 3.47Å; E293-T297 PolarHBondContact O-N 2.77Å; E293-T297 PolarHBondContact O-OG1 2.97Å; E293-R422 IonicContact OE1-CZ 3.06Å; E293-R422 IonicContact OE1-NH1 3.05Å; E293-R422 PolarHBondContact OE1-NH1 3.08Å
294	D	90.2	Very high	84.7	Confident	80 Å²	80	49.6 Å²	49.6	43%	0.428	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-38.8	173.6	-61.5	-41.9	0	0	0	110.4	F290 S291 T297 S298	F290-D294 HydrophobicContact CB-CB 4.37Å; F290-D294 HydrophobicContact CD1-CB 3.57Å; F290-D294 HydrophobicContact CE1-CB 4.19Å; F290-D294 HydrophobicContact CG-CB 4.26Å; S291-D294 VanDerWaalsContact CB-OD2 3.31Å; S291-D294 WeakPolarHBondContact CB-OD2 3.42Å; S291-D294 PolarHBondContact N-OD2 3.45Å; S291-D294 PolarHBondContact O-N 3.46Å; S291-D294 PolarHBondContact OG-N 3.44Å; S291-D294 PolarHBondContact OG-OD2 3.26Å; D294-T297 PolarHBondContact O-N 3.3Å; D294-S298 PolarHBondContact O-N 2.79Å
295	S	89.7	Confident	86	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-36.8	176.1	-62.1	0	0	0	0	112.1	R239 F290 S291 T292 E293 S298 M299	R239-S295 PolarHBondContact NH2-OG 3.26Å; F290-S295 WeakPolarHBondContact CB-OG 3.39Å; S291-S295 WeakPolarHBondContact O-CB 3.46Å; S291-S295 PolarHBondContact O-N 2.99Å; S291-S295 PolarHBondContact O-OG 3.02Å; S291-S295 VanDerWaalsContact O-OG 3.1Å; T292-S295 PolarHBondContact O-N 3.43Å; E293-S295 VanDerWaalsContact C-N 3.27Å; E293-S295 PolarHBondContact O-N 2.85Å; S295-S298 PolarHBondContact O-N 3.35Å; S295-S298 PolarHBondContact O-OG 2.9Å; S295-M299 WeakPolarHBondContact O-CG 3.33Å
296	R	91.3	Very high	87.1	Confident	54 Å²	54	40.5 Å²	40.5	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-41.4	171.7	-172.1	-177.5	-68.2	155.2	-12	111	W280 T292 E293 S298 M299 R422	W280-R296 HydrophobicContact CB-CB 4.11Å; W280-R296 HydrophobicContact CD2-CB 4.02Å; W280-R296 HydrophobicContact CD2-CG 3.91Å; W280-R296 HydrophobicContact CE3-CG 4.16Å; W280-R296 HydrophobicContact CG-CB 3.8Å; W280-R296 HydrophobicContact CG-CG 4.23Å; W280-R296 HydrophobicContact CZ2-CG 4.49Å; T292-R296 WeakPolarHBondContact O-CB 3.36Å; T292-R296 PolarHBondContact O-N 3.15Å; E293-R296 PolarHBondContact O-N 2.87Å; E293-R296 IonicContact OE2-CZ 2.9Å; E293-R296 IonicContact OE2-NE 3.26Å; E293-R296 IonicContact OE2-NH1 2.73Å; E293-R296 PolarHBondContact OE2-NH1 2.89Å; R296-S298 VanDerWaalsContact C-N 3.35Å; R296-S298 PolarHBondContact O-N 3.12Å; R296-M299 PolarHBondContact O-N 3.19Å; R296-R422 HydrophobicContact CG-CB 4.13Å
297	T	89.7	Confident	88.1	Confident	44 Å²	44	33.1 Å²	33.1	27%	0.27	19%	0.193	S	C	.	.	H	α-helix	trans	-64.5	-38.3	178.1	-54.2	0	0	0	0	111.9	E293 D294 M299 A300 R422	E293-T297 WeakPolarHBondContact O-CB 3.47Å; E293-T297 PolarHBondContact O-N 2.77Å; E293-T297 PolarHBondContact O-OG1 2.97Å; D294-T297 PolarHBondContact O-N 3.3Å; T297-M299 PolarHBondContact O-N 3.05Å; T297-A300 WeakPolarHBondContact O-CB 3.45Å; T297-A300 PolarHBondContact O-N 2.76Å; T297-R422 PolarHBondContact OG1-NH1 2.91Å
298	S	90.8	Very high	88.6	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-64.9	-22.3	177.9	74.9	0	0	0	0	113.1	M242 D294 S295 R296	M242-S298 WeakPolarHBondContact CE-O 3.49Å; M242-S298 VanDerWaalsContact O-CB 3.29Å; M242-S298 WeakPolarHBondContact O-CB 3.1Å; M242-S298 PolarHBondContact O-OG 2.74Å; D294-S298 PolarHBondContact O-N 2.79Å; S295-S298 PolarHBondContact O-N 3.35Å; S295-S298 PolarHBondContact O-OG 2.9Å; R296-S298 VanDerWaalsContact C-N 3.35Å; R296-S298 PolarHBondContact O-N 3.12Å
299	M	92.4	Very high	88.7	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.9	179.5	-64.9	177.9	-169.5	0	0	114.4	R239 M242 F267 L279 W280 S295 R296 T297 N301 L302 L418	R239-M299 HydrophobicContact CB-CE 4.09Å; R239-M299 HydrophobicContact CG-CE 4.34Å; M242-M299 HydrophobicContact CB-CE 4.27Å; M242-M299 HydrophobicContact CB-CG 3.91Å; M242-M299 HydrophobicContact CG-CE 4.46Å; M242-M299 HydrophobicContact CG-CG 3.91Å; F267-M299 HydrophobicContact CD1-SD 4.47Å; F267-M299 HydrophobicContact CE1-CB 4.18Å; L279-M299 HydrophobicContact CB-CE 4.36Å; L279-M299 HydrophobicContact CB-SD 4.28Å; L279-M299 HydrophobicContact CD2-CE 3.94Å; L279-M299 HydrophobicContact CD2-SD 3.99Å; L279-M299 HydrophobicContact CG-CE 3.89Å; L279-M299 HydrophobicContact CG-SD 4.27Å; W280-M299 HydrophobicContact CB-CE 4.16Å; W280-M299 HydrophobicContact CB-SD 4.04Å; W280-M299 HydrophobicContact CE3-SD 3.94Å; S295-M299 WeakPolarHBondContact O-CG 3.33Å; R296-M299 PolarHBondContact O-N 3.19Å; T297-M299 PolarHBondContact O-N 3.05Å; M299-N301 PolarHBondContact O-N 2.81Å; M299-L302 HydrophobicContact CB-CB 4.41Å; M299-L302 HydrophobicContact CB-CD2 4.49Å; M299-L302 HydrophobicContact CG-CD2 4.33Å; M299-L302 VanDerWaalsContact O-CB 3.27Å; M299-L302 WeakPolarHBondContact O-CB 3.03Å; M299-L302 PolarHBondContact O-N 3.48Å; M299-L418 HydrophobicContact CB-CD1 4.16Å
300	A	90.4	Very high	87.9	Confident	30 Å²	30	23.4 Å²	23.4	25%	0.248	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.1	-174.2	0	0	0	0	0	115.3	T297	T297-A300 WeakPolarHBondContact O-CB 3.45Å; T297-A300 PolarHBondContact O-N 2.76Å
301	N	92.5	Very high	87.1	Confident	6 Å²	6	22.4 Å²	22.4	3%	0.032	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	20.2	176.4	-54.1	-15.6	0	0	0	112.5	N251 N252 Y255 Y257 M299 R454	N251-N301 PolarHBondContact O-ND2 3.3Å; N251-N301 VanDerWaalsContact O-ND2 3.12Å; N252-N301 PolarHBondContact O-ND2 3.2Å; Y255-N301 VanDerWaalsContact O-CB 3.25Å; Y255-N301 WeakPolarHBondContact O-CB 3.33Å; Y255-N301 PolarHBondContact O-ND2 3.44Å; Y257-N301 PolarHBondContact N-O 2.77Å; M299-N301 PolarHBondContact O-N 2.81Å; N301-R454 VanDerWaalsContact OD1-CZ 3.28Å; N301-R454 PolarHBondContact OD1-NH1 2.98Å; N301-R454 PolarHBondContact OD1-NH2 3.34Å
302	L	95	Very high	85.9	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130	175.6	-179.1	57.1	0	0	0	109.7	M242 Y257 M259 F267 M299 F304	M242-L302 HydrophobicContact CE-CB 4.38Å; M242-L302 HydrophobicContact CG-CD2 4.2Å; M242-L302 HydrophobicContact SD-CD1 4.49Å; M242-L302 HydrophobicContact SD-CD2 4.39Å; Y257-L302 CarbonylContact O-C 3.53Å; Y257-L302 WeakPolarHBondContact O-CA 3.39Å; M259-L302 HydrophobicContact CB-CD1 4.27Å; M259-L302 HydrophobicContact CE-CD1 3.79Å; M259-L302 HydrophobicContact CE-CD2 4.31Å; M259-L302 HydrophobicContact CG-CD1 3.75Å; M259-L302 HydrophobicContact SD-CD1 3.85Å; M259-L302 HydrophobicContact SD-CD2 4.25Å; F267-L302 HydrophobicContact CE1-CB 4.24Å; F267-L302 HydrophobicContact CE1-CD2 3.9Å; F267-L302 HydrophobicContact CE1-CG 4.18Å; F267-L302 HydrophobicContact CZ-CB 4.18Å; F267-L302 HydrophobicContact CZ-CD2 4.41Å; F267-L302 HydrophobicContact CZ-CG 4.2Å; F267-L302 WeakPolarHBondContact CZ-O 3.28Å; M299-L302 HydrophobicContact CB-CB 4.41Å; M299-L302 HydrophobicContact CB-CD2 4.49Å; M299-L302 HydrophobicContact CG-CD2 4.33Å; M299-L302 VanDerWaalsContact O-CB 3.27Å; M299-L302 WeakPolarHBondContact O-CB 3.03Å; M299-L302 PolarHBondContact O-N 3.48Å; L302-F304 HydrophobicContact CD2-CD2 4.32Å; L302-F304 HydrophobicContact CD2-CE2 3.49Å; L302-F304 VanDerWaalsContact CD2-CE2 3.49Å; L302-F304 HydrophobicContact CD2-CZ 3.75Å; L302-F304 HydrophobicContact CG-CD2 4.26Å; L302-F304 HydrophobicContact CG-CE2 3.92Å; L302-F304 HydrophobicContact CG-CZ 4.35Å
303	L	95.6	Very high	84.6	Confident	6 Å²	6	23.1 Å²	23.1	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.8	169.6	-60.6	178.6	0	0	0	108.6	F162 V256 Y257 I258 M259 M415 I416 Y427 W451	F162-L303 HydrophobicContact CE2-CD1 4.4Å; V256-L303 HydrophobicContact CG1-CD1 3.9Å; V256-L303 HydrophobicContact CG1-CG 4.22Å; Y257-L303 PolarHBondContact O-N 3.1Å; I258-L303 CarbonylContact C-O 3.56Å; I258-L303 WeakPolarHBondContact CA-O 3.37Å; M259-L303 PolarHBondContact N-O 3.47Å; L303-M415 HydrophobicContact CD1-SD 4.41Å; L303-I416 CarbonylContact C-O 3.09Å; L303-I416 WeakPolarHBondContact CA-O 3.48Å; L303-Y427 HydrophobicContact CD2-CD2 4.08Å; L303-Y427 HydrophobicContact CD2-CE2 4.08Å; L303-W451 HydrophobicContact CD1-CH2 4.41Å
304	F	94.7	Very high	83.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.4	173.1	-84.5	-72.4	0	0	0	110.3	K238 M259 G266 F267 L279 L302 V306 M415 I416	K238-F304 HydrophobicContact CD-CE1 4.16Å; K238-F304 HydrophobicContact CD-CZ 4.03Å; M259-F304 HydrophobicContact CB-CD1 3.69Å; M259-F304 HydrophobicContact CB-CE1 3.53Å; M259-F304 HydrophobicContact CB-CZ 4.4Å; M259-F304 HydrophobicContact CG-CE1 4.3Å; M259-F304 CarbonylContact O-C 3.47Å; M259-F304 WeakPolarHBondContact O-CA 3.49Å; M259-F304 HydrophobicContact SD-CE1 3.92Å; M259-F304 HydrophobicContact SD-CZ 4.02Å; G266-F304 VanDerWaalsContact CA-CG 3.5Å; F267-F304 HydrophobicContact CD1-CD2 4.21Å; F267-F304 AromaticContact CD1-CE2 3.79Å; F267-F304 HydrophobicContact CD1-CE2 3.79Å; F267-F304 AromaticContact CD2-CD2 3.88Å; F267-F304 HydrophobicContact CD2-CD2 3.88Å; F267-F304 HydrophobicContact CD2-CE2 4.27Å; F267-F304 HydrophobicContact CE1-CD2 4.09Å; F267-F304 AromaticContact CE1-CE2 3.8Å; F267-F304 HydrophobicContact CE1-CE2 3.8Å; F267-F304 AromaticContact CE2-CD2 3.74Å; F267-F304 HydrophobicContact CE2-CD2 3.74Å; F267-F304 HydrophobicContact CE2-CE2 4.28Å; F267-F304 HydrophobicContact CG-CD2 4.11Å; F267-F304 HydrophobicContact CG-CE2 4.04Å; F267-F304 AromaticContact CZ-CD2 3.85Å; F267-F304 HydrophobicContact CZ-CD2 3.85Å; F267-F304 HydrophobicContact CZ-CE2 4.05Å; L279-F304 HydrophobicContact CD2-CE2 4.19Å; L279-F304 HydrophobicContact CD2-CZ 3.86Å; L302-F304 HydrophobicContact CD2-CD2 4.32Å; L302-F304 HydrophobicContact CD2-CE2 3.49Å; L302-F304 VanDerWaalsContact CD2-CE2 3.49Å; L302-F304 HydrophobicContact CD2-CZ 3.75Å; L302-F304 HydrophobicContact CG-CD2 4.26Å; L302-F304 HydrophobicContact CG-CE2 3.92Å; L302-F304 HydrophobicContact CG-CZ 4.35Å; F304-V306 HydrophobicContact CB-CG1 4.12Å; F304-V306 HydrophobicContact CD1-CG1 4.34Å; F304-M415 CarbonylContact O-C 3.59Å; F304-M415 VanDerWaalsContact O-CA 3.26Å; F304-M415 WeakPolarHBondContact O-CA 3.27Å; F304-I416 HydrophobicContact CB-CB 4.39Å; F304-I416 PolarHBondContact N-O 3.4Å; F304-I416 PolarHBondContact O-N 3.13Å
305	L	94.7	Very high	83	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.8	166.2	-59.6	177.4	0	0	0	107.2	A154 I155 T158 I258 M259 A260 E261 I413 I414 M415 L430	A154-L305 HydrophobicContact CB-CD1 4.23Å; I155-L305 HydrophobicContact CB-CD1 4.38Å; I155-L305 HydrophobicContact CG1-CD1 3.76Å; T158-L305 WeakPolarHBondContact OG1-CD2 3.27Å; I258-L305 HydrophobicContact CG2-CD1 3.67Å; I258-L305 HydrophobicContact CG2-CG 3.9Å; M259-L305 PolarHBondContact O-N 3.24Å; A260-L305 CarbonylContact C-O 3.5Å; A260-L305 VanDerWaalsContact CA-O 3.28Å; A260-L305 WeakPolarHBondContact CA-O 3.3Å; A260-L305 HydrophobicContact CB-CB 4.05Å; A260-L305 HydrophobicContact CB-CD1 4.45Å; E261-L305 PolarHBondContact N-O 3.17Å; L305-I413 HydrophobicContact CB-CG2 3.86Å; L305-I414 WeakPolarHBondContact CA-O 3.14Å; L305-M415 HydrophobicContact CD2-CB 3.75Å; L305-M415 HydrophobicContact CD2-CG 3.73Å; L305-M415 HydrophobicContact CD2-SD 4.33Å; L305-L430 HydrophobicContact CD2-CD1 4.01Å
306	V	90.8	Very high	82.8	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.5	-171.6	-65.2	0	0	0	0	113	E261 S264 F304 I413 I414 I416	E261-V306 HydrophobicContact CB-CG1 4.33Å; E261-V306 WeakPolarHBondContact O-CA 3.47Å; S264-V306 VanDerWaalsContact O-CB 3.25Å; S264-V306 WeakPolarHBondContact O-CB 3.29Å; S264-V306 WeakPolarHBondContact O-CG1 3.41Å; F304-V306 HydrophobicContact CB-CG1 4.12Å; F304-V306 HydrophobicContact CD1-CG1 4.34Å; V306-I413 CarbonylContact O-C 3.58Å; V306-I413 WeakPolarHBondContact O-CA 3.39Å; V306-I414 HydrophobicContact CG2-CD1 3.95Å; V306-I414 HydrophobicContact CG2-CG1 3.52Å; V306-I414 PolarHBondContact N-O 3.06Å; V306-I414 WeakPolarHBondContact O-CG1 3.42Å; V306-I414 PolarHBondContact O-N 3.35Å; V306-I416 HydrophobicContact CG2-CD1 3.78Å; V306-I416 HydrophobicContact CG2-CG1 4.47Å
307	D	85.6	Confident	82.6	Confident	5 Å²	5	28.4 Å²	28.4	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.8	166.5	-177.6	3.4	0	0	0	108.8	V146 M309 Q355 R409	V146-D307 HydrophobicContact CB-CB 4.1Å; V146-D307 HydrophobicContact CG2-CB 3.72Å; V146-D307 WeakPolarHBondContact CG2-OD2 3.4Å; D307-M309 PolarHBondContact O-N 3.41Å; D307-M309 PolarHBondContact OD1-N 3.32Å; D307-Q355 PolarHBondContact OD2-NE2 2.78Å; D307-R409 IonicContact OD1-NH2 2.79Å; D307-R409 IonicContact OD2-NH2 2.67Å
308	N	75.5	Confident	82.5	Confident	23 Å²	23	29.6 Å²	29.6	12%	0.123	18%	0.176	C	C	.	.			trans	-74.2	0.2	173.4	-147.5	0	0	0	0	112.5	G310 M311 N312 N313 I414	N308-G310 PolarHBondContact O-N 2.88Å; N308-G310 VanDerWaalsContact O-N 3.11Å; N308-M311 WeakPolarHBondContact CB-O 3.3Å; N308-M311 PolarHBondContact ND2-O 2.92Å; N308-M311 WeakPolarHBondContact O-CB 3.26Å; N308-M311 PolarHBondContact O-N 3.5Å; N308-N312 VanDerWaalsContact ND2-C 3.26Å; N308-N313 PolarHBondContact ND2-N 3.28Å; N308-N313 PolarHBondContact ND2-OD1 3.35Å; N308-I414 HydrophobicContact CB-CD1 4.49Å
309	M	75.9	Confident	82.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	29.7	173.2	-56.9	172.6	-179.3	0	0	113.5	T262 S264 R265 D307 M311 K351 Y352	T262-M309 WeakPolarHBondContact O-CE 3.37Å; S264-M309 WeakPolarHBondContact O-CE 3.25Å; R265-M309 HydrophobicContact CG-CE 4.38Å; R265-M309 HydrophobicContact CG-SD 4.11Å; D307-M309 PolarHBondContact O-N 3.41Å; D307-M309 PolarHBondContact OD1-N 3.32Å; M309-M311 VanDerWaalsContact C-N 3.3Å; M309-K351 HydrophobicContact CE-CD 4.16Å; M309-K351 HydrophobicContact SD-CB 3.77Å; M309-K351 HydrophobicContact SD-CD 3.86Å; M309-K351 HydrophobicContact SD-CG 4.2Å; M309-Y352 HydrophobicContact CG-CD1 4.49Å; M309-Y352 HydrophobicContact CG-CE1 4.07Å
310	G	61.2	Low	82.3	Confident	11 Å²	11	35.1 Å²	35.1	11%	0.113	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	6.7	-176.5	0	0	0	0	0	114.6	N308 G397	N308-G310 PolarHBondContact O-N 2.88Å; N308-G310 VanDerWaalsContact O-N 3.11Å; G310-G397 WeakPolarHBondContact O-CA 3.45Å; G310-G397 PolarHBondContact O-N 2.92Å; G310-G397 VanDerWaalsContact O-N 3.14Å
311	M	66.7	Low	82.4	Confident	16 Å²	16	38 Å²	38	8%	0.079	22%	0.215	C	C	.	.			trans	-88.9	156.9	166	-65	-175.3	65.8	0	0	110.4	R265 N308 M309 V315 Y319	R265-M311 PolarHBondContact NH2-SD 3.3Å; N308-M311 WeakPolarHBondContact CB-O 3.3Å; N308-M311 PolarHBondContact ND2-O 2.92Å; N308-M311 WeakPolarHBondContact O-CB 3.26Å; N308-M311 PolarHBondContact O-N 3.5Å; M309-M311 VanDerWaalsContact C-N 3.3Å; M311-V315 HydrophobicContact CE-CB 4Å; M311-V315 HydrophobicContact CE-CG1 3.8Å; M311-V315 HydrophobicContact CE-CG2 3.57Å; M311-Y319 HydrophobicContact CE-CD1 3.57Å; M311-Y319 HydrophobicContact CE-CE1 3.57Å; M311-Y319 HydrophobicContact CE-CG 4.24Å; M311-Y319 HydrophobicContact CG-CD1 4.1Å; M311-Y319 HydrophobicContact CG-CD2 3.81Å; M311-Y319 HydrophobicContact CG-CE1 3.8Å; M311-Y319 HydrophobicContact CG-CE2 3.49Å; M311-Y319 VanDerWaalsContact CG-CE2 3.49Å; M311-Y319 HydrophobicContact CG-CG 4.09Å; M311-Y319 VanDerWaalsContact CG-CZ 3.47Å; M311-Y319 HydrophobicContact SD-CD1 3.94Å; M311-Y319 HydrophobicContact SD-CE1 3.37Å; M311-Y319 WeakPolarHBondContact SD-CE1 3.45Å; M311-Y319 HydrophobicContact SD-CE2 4.15Å
312	N	63.3	Low	82.4	Confident	50 Å²	50	38.2 Å²	38.2	27%	0.267	22%	0.216	S	C	.	.			trans	-82.2	166.7	162	-80.7	-18.7	0	0	0	109.8	N308 V314 T316 G397 G398 G399	N308-N312 VanDerWaalsContact ND2-C 3.26Å; N312-V314 CarbonylContact O-C 3.51Å; N312-V314 PolarHBondContact O-N 3.15Å; N312-T316 HydrophobicContact CB-CG2 4.33Å; N312-G397 PolarHBondContact ND2-O 3.35Å; N312-G397 VanDerWaalsContact ND2-O 3.16Å; N312-G398 PolarHBondContact ND2-O 3.44Å; N312-G399 WeakPolarHBondContact ND2-CA 3.36Å; N312-G399 PolarHBondContact ND2-N 3.45Å; N312-G399 VanDerWaalsContact ND2-N 3.15Å; N312-G399 WeakPolarHBondContact OD1-CA 3.37Å
313	N	62.4	Low	82.3	Confident	82 Å²	82	39.1 Å²	39.1	44%	0.439	22%	0.222	S	C	.	.	S	Bend	trans	-52	-24.7	174.4	-69.1	-12.9	0	0	0	113.4	N308	N308-N313 PolarHBondContact ND2-N 3.28Å; N308-N313 PolarHBondContact ND2-OD1 3.35Å
314	V	68.9	Low	82.2	Confident	108 Å²	108	44.5 Å²	44.5	66%	0.655	25%	0.245	S	C	*	.	S	Bend	trans	-115	133.3	173.5	-174.4	0	0	0	0	108.1	N312 T316	N312-V314 CarbonylContact O-C 3.51Å; N312-V314 PolarHBondContact O-N 3.15Å; V314-T316 PolarHBondContact O-N 2.94Å
315	V	76.8	Confident	82.2	Confident	78 Å²	78	46.6 Å²	46.6	47%	0.473	26%	0.256	S	S	.	.			trans	-61.2	110	171.9	-170.3	0	0	0	0	108.7	M311 Y319 L320	M311-V315 HydrophobicContact CE-CB 4Å; M311-V315 HydrophobicContact CE-CG1 3.8Å; M311-V315 HydrophobicContact CE-CG2 3.57Å; V315-Y319 HydrophobicContact CG1-CD1 4.22Å; V315-L320 HydrophobicContact CG1-CD1 4.35Å; V315-L320 HydrophobicContact CG1-CD2 3.66Å; V315-L320 HydrophobicContact CG1-CG 3.77Å
316	T	83.9	Confident	82.3	Confident	25 Å²	25	46.6 Å²	46.6	15%	0.153	26%	0.256	C	S	.	.			trans	-81.5	151.2	-177.8	58.1	0	0	0	0	111.1	N312 V314 Q318 Y319 L320 G397	N312-T316 HydrophobicContact CB-CG2 4.33Å; V314-T316 PolarHBondContact O-N 2.94Å; T316-Q318 PolarHBondContact O-N 3.37Å; T316-Y319 PolarHBondContact O-N 3.33Å; T316-Y319 VanDerWaalsContact O-N 3.1Å; T316-Y319 PolarHBondContact OG1-N 2.94Å; T316-L320 PolarHBondContact O-N 3.32Å; T316-L320 VanDerWaalsContact O-N 3.07Å; T316-G397 WeakPolarHBondContact CB-O 3.41Å; T316-G397 WeakPolarHBondContact CG2-O 3.29Å; T316-G397 PolarHBondContact OG1-O 3.34Å
317	P	87.6	Confident	82.5	Confident	110 Å²	110	48.7 Å²	48.7	71%	0.714	27%	0.267	S	S	*	.	H	α-helix	trans	-54.4	-33.2	171.5	-26.3	35	0	0	0	112.8	L320 N321	P317-L320 PolarHBondContact O-N 3.34Å; P317-N321 WeakPolarHBondContact O-CB 3.49Å; P317-N321 PolarHBondContact O-N 3.2Å
318	Q	87.7	Confident	82.9	Confident	69 Å²	69	52.7 Å²	52.7	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-48.8	174.9	-178.8	176.5	10	0	0	112.1	T316 L320 N321 F322 E394	T316-Q318 PolarHBondContact O-N 3.37Å; Q318-L320 VanDerWaalsContact C-N 3.33Å; Q318-L320 PolarHBondContact O-N 3.06Å; Q318-N321 PolarHBondContact O-N 3.06Å; Q318-F322 WeakPolarHBondContact O-CB 3.48Å; Q318-F322 PolarHBondContact O-N 3.22Å; Q318-E394 PolarHBondContact NE2-OE1 3.46Å; Q318-E394 PolarHBondContact OE1-OE1 3.32Å
319	Y	88.6	Confident	83.8	Confident	12 Å²	12	53 Å²	53	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-37.9	177	-175.1	-95.6	0	0	0	112.2	R265 M311 V315 T316 F322 S323 V396	R265-Y319 PolarHBondContact NH2-OH 3Å; M311-Y319 HydrophobicContact CE-CD1 3.57Å; M311-Y319 HydrophobicContact CE-CE1 3.57Å; M311-Y319 HydrophobicContact CE-CG 4.24Å; M311-Y319 HydrophobicContact CG-CD1 4.1Å; M311-Y319 HydrophobicContact CG-CD2 3.81Å; M311-Y319 HydrophobicContact CG-CE1 3.8Å; M311-Y319 HydrophobicContact CG-CE2 3.49Å; M311-Y319 VanDerWaalsContact CG-CE2 3.49Å; M311-Y319 HydrophobicContact CG-CG 4.09Å; M311-Y319 VanDerWaalsContact CG-CZ 3.47Å; M311-Y319 HydrophobicContact SD-CD1 3.94Å; M311-Y319 HydrophobicContact SD-CE1 3.37Å; M311-Y319 WeakPolarHBondContact SD-CE1 3.45Å; M311-Y319 HydrophobicContact SD-CE2 4.15Å; V315-Y319 HydrophobicContact CG1-CD1 4.22Å; T316-Y319 PolarHBondContact O-N 3.33Å; T316-Y319 VanDerWaalsContact O-N 3.1Å; T316-Y319 PolarHBondContact OG1-N 2.94Å; Y319-F322 HydrophobicContact CD2-CD1 4.44Å; Y319-F322 HydrophobicContact CE2-CD1 4.41Å; Y319-F322 PolarHBondContact O-N 3.19Å; Y319-S323 WeakPolarHBondContact CE1-OG 3.27Å; Y319-S323 WeakPolarHBondContact O-CB 3.41Å; Y319-S323 PolarHBondContact O-N 2.68Å; Y319-S323 PolarHBondContact O-OG 3.33Å; Y319-V396 HydrophobicContact CD2-CG2 4.35Å
320	L	90	Very high	84.8	Confident	104 Å²	104	53.2 Å²	53.2	55%	0.545	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-43.1	174.8	-69.2	174.2	0	0	0	111.8	V315 T316 P317 Q318 S323 K324	V315-L320 HydrophobicContact CG1-CD1 4.35Å; V315-L320 HydrophobicContact CG1-CD2 3.66Å; V315-L320 HydrophobicContact CG1-CG 3.77Å; T316-L320 PolarHBondContact O-N 3.32Å; T316-L320 VanDerWaalsContact O-N 3.07Å; P317-L320 PolarHBondContact O-N 3.34Å; Q318-L320 VanDerWaalsContact C-N 3.33Å; Q318-L320 PolarHBondContact O-N 3.06Å; L320-S323 PolarHBondContact O-N 3.43Å; L320-K324 WeakPolarHBondContact O-CB 3.23Å; L320-K324 PolarHBondContact O-N 3.37Å
321	N	92.5	Very high	86.4	Confident	91 Å²	91	58.3 Å²	58.3	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-66.1	-44.1	176.9	-166.9	22.5	0	0	0	111.3	P317 Q318 S323 K324 N325	P317-N321 WeakPolarHBondContact O-CB 3.49Å; P317-N321 PolarHBondContact O-N 3.2Å; Q318-N321 PolarHBondContact O-N 3.06Å; N321-S323 PolarHBondContact O-N 3.48Å; N321-K324 PolarHBondContact O-N 3.2Å; N321-N325 WeakPolarHBondContact O-CB 3.16Å; N321-N325 PolarHBondContact O-N 2.95Å; N321-N325 PolarHBondContact O-ND2 2.67Å; N321-N325 PolarHBondContact OD1-ND2 3.41Å
322	F	93.8	Very high	87.7	Confident	11 Å²	11	60.6 Å²	60.6	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-54.6	-53.3	172.6	169.5	-98.1	0	0	0	111.1	A49 V52 Q318 Y319 K324 N325 V326 V349 A353 A357 V396	A49-F322 HydrophobicContact CB-CE2 4.21Å; A49-F322 HydrophobicContact CB-CZ 3.87Å; V52-F322 HydrophobicContact CB-CD2 4.29Å; V52-F322 HydrophobicContact CB-CE2 4.31Å; V52-F322 HydrophobicContact CG1-CD2 3.77Å; V52-F322 HydrophobicContact CG1-CE2 4.27Å; Q318-F322 WeakPolarHBondContact O-CB 3.48Å; Q318-F322 PolarHBondContact O-N 3.22Å; Y319-F322 HydrophobicContact CD2-CD1 4.44Å; Y319-F322 HydrophobicContact CE2-CD1 4.41Å; Y319-F322 PolarHBondContact O-N 3.19Å; F322-K324 VanDerWaalsContact C-N 3.3Å; F322-K324 PolarHBondContact O-N 2.93Å; F322-N325 PolarHBondContact O-N 2.89Å; F322-N325 VanDerWaalsContact O-N 3.12Å; F322-V326 HydrophobicContact CD1-CG2 4.34Å; F322-V326 HydrophobicContact CD2-CG2 4.16Å; F322-V326 HydrophobicContact CE1-CG2 3.9Å; F322-V326 HydrophobicContact CE2-CG2 3.68Å; F322-V326 HydrophobicContact CG-CG2 4.46Å; F322-V326 HydrophobicContact CZ-CG2 3.55Å; F322-V326 WeakPolarHBondContact O-CG2 3.38Å; F322-V326 PolarHBondContact O-N 3.5Å; F322-V349 HydrophobicContact CE1-CG2 4.32Å; F322-A353 HydrophobicContact CE1-CB 4.42Å; F322-A353 HydrophobicContact CZ-CB 4.45Å; F322-A357 HydrophobicContact CE2-CB 3.59Å; F322-A357 HydrophobicContact CZ-CB 3.82Å; F322-V396 HydrophobicContact CD1-CB 4.4Å; F322-V396 HydrophobicContact CD2-CB 4.35Å; F322-V396 HydrophobicContact CD2-CG1 3.85Å; F322-V396 HydrophobicContact CE2-CG1 3.91Å; F322-V396 HydrophobicContact CG-CB 4.23Å; F322-V396 HydrophobicContact CG-CG1 4.23Å; F322-V396 HydrophobicContact CZ-CG1 4.33Å
323	S	92.1	Very high	89.1	Confident	19 Å²	19	66 Å²	66	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-56.7	-44.6	-178.1	-59.2	0	0	0	0	111.8	Y319 L320 N321 I327 V349	Y319-S323 WeakPolarHBondContact CE1-OG 3.27Å; Y319-S323 WeakPolarHBondContact O-CB 3.41Å; Y319-S323 PolarHBondContact O-N 2.68Å; Y319-S323 PolarHBondContact O-OG 3.33Å; L320-S323 PolarHBondContact O-N 3.43Å; N321-S323 PolarHBondContact O-N 3.48Å; S323-I327 PolarHBondContact O-N 3.01Å; S323-V349 WeakPolarHBondContact OG-CG1 3.39Å
324	K	93.6	Very high	90.7	Very high	120 Å²	120	63.8 Å²	63.8	52%	0.522	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-48.8	176.2	-178.2	-177.5	171.4	-173.6	0	111.6	L320 N321 F322 V326 I327 E328	L320-K324 WeakPolarHBondContact O-CB 3.23Å; L320-K324 PolarHBondContact O-N 3.37Å; N321-K324 PolarHBondContact O-N 3.2Å; F322-K324 VanDerWaalsContact C-N 3.3Å; F322-K324 PolarHBondContact O-N 2.93Å; K324-V326 VanDerWaalsContact C-N 3.34Å; K324-V326 PolarHBondContact O-N 3.04Å; K324-I327 PolarHBondContact O-N 3.25Å; K324-E328 WeakPolarHBondContact CE-OE1 3.18Å; K324-E328 HydrophobicContact CG-CG 4.42Å; K324-E328 IonicContact NZ-OE1 2.79Å; K324-E328 PolarHBondContact O-N 3.4Å
325	N	95.6	Very high	91.9	Very high	43 Å²	43	59.1 Å²	59.1	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-36.3	-177.1	-67.5	-22.2	0	0	0	112.1	V52 N321 F322 I327 E328 M329	V52-N325 HydrophobicContact CG1-CB 4.36Å; V52-N325 HydrophobicContact CG2-CB 3.74Å; N321-N325 WeakPolarHBondContact O-CB 3.16Å; N321-N325 PolarHBondContact O-N 2.95Å; N321-N325 PolarHBondContact O-ND2 2.67Å; N321-N325 PolarHBondContact OD1-ND2 3.41Å; F322-N325 PolarHBondContact O-N 2.89Å; F322-N325 VanDerWaalsContact O-N 3.12Å; N325-I327 VanDerWaalsContact C-N 3.34Å; N325-I327 PolarHBondContact O-N 3.4Å; N325-E328 PolarHBondContact O-N 2.79Å; N325-M329 HydrophobicContact CB-SD 4.47Å; N325-M329 WeakPolarHBondContact O-CB 3.37Å; N325-M329 WeakPolarHBondContact O-CG 3.27Å; N325-M329 PolarHBondContact O-N 3.33Å
326	V	95.5	Very high	92.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-49.4	174.9	174.1	0	0	0	0	110.4	A48 A49 V52 F322 K324 M329 M330 V349	A48-V326 HydrophobicContact CB-CG1 4.19Å; A48-V326 WeakPolarHBondContact CB-O 3.43Å; A49-V326 HydrophobicContact CB-CG2 4.16Å; V52-V326 HydrophobicContact CG2-CG2 3.89Å; F322-V326 HydrophobicContact CD1-CG2 4.34Å; F322-V326 HydrophobicContact CD2-CG2 4.16Å; F322-V326 HydrophobicContact CE1-CG2 3.9Å; F322-V326 HydrophobicContact CE2-CG2 3.68Å; F322-V326 HydrophobicContact CG-CG2 4.46Å; F322-V326 HydrophobicContact CZ-CG2 3.55Å; F322-V326 WeakPolarHBondContact O-CG2 3.38Å; F322-V326 PolarHBondContact O-N 3.5Å; K324-V326 VanDerWaalsContact C-N 3.34Å; K324-V326 PolarHBondContact O-N 3.04Å; V326-M329 PolarHBondContact O-N 2.73Å; V326-M330 WeakPolarHBondContact O-CG 3.3Å; V326-M330 PolarHBondContact O-N 2.79Å; V326-V349 HydrophobicContact CB-CG2 4.03Å; V326-V349 HydrophobicContact CG1-CG2 3.91Å; V326-V349 HydrophobicContact CG2-CG2 4.27Å
327	I	94.9	Very high	93	Very high	46 Å²	46	59.4 Å²	59.4	24%	0.236	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-43	-179.9	-60.7	-49.7	0	0	0	111.5	T45 S323 K324 N325 M329 M330 Y346	T45-I327 HydrophobicContact CG2-CD1 4.37Å; S323-I327 PolarHBondContact O-N 3.01Å; K324-I327 PolarHBondContact O-N 3.25Å; N325-I327 VanDerWaalsContact C-N 3.34Å; N325-I327 PolarHBondContact O-N 3.4Å; I327-M329 VanDerWaalsContact C-N 3.35Å; I327-M329 PolarHBondContact O-N 3.42Å; I327-M330 PolarHBondContact O-N 3.48Å; I327-Y346 WeakPolarHBondContact CD1-O 3.47Å
328	E	94	Very high	93.1	Very high	89 Å²	89	58.5 Å²	58.5	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-65.6	-35.4	-179.8	-74	-173.9	173.9	0	0	113.3	K324 N325 K331	K324-E328 WeakPolarHBondContact CE-OE1 3.18Å; K324-E328 HydrophobicContact CG-CG 4.42Å; K324-E328 IonicContact NZ-OE1 2.79Å; K324-E328 PolarHBondContact O-N 3.4Å; N325-E328 PolarHBondContact O-N 2.79Å; E328-K331 VanDerWaalsContact O-CD 3.31Å; E328-K331 WeakPolarHBondContact O-CD 3.16Å; E328-K331 WeakPolarHBondContact O-CE 3.41Å; E328-K331 VanDerWaalsContact O-CG 3.31Å; E328-K331 WeakPolarHBondContact O-CG 3.46Å
329	M	95.9	Very high	93.1	Very high	29 Å²	29	63.7 Å²	63.7	14%	0.143	32%	0.319	C	S	.	.	H	α-helix	trans	-85.7	-4.5	-176.3	-66.3	-179.3	78.6	0	0	113.8	A48 L51 V52 N325 V326 I327 K331 D332	A48-M329 HydrophobicContact CB-CB 4.04Å; L51-M329 HydrophobicContact CB-CE 3.57Å; L51-M329 HydrophobicContact CB-SD 4.37Å; L51-M329 HydrophobicContact CD1-CB 4.45Å; V52-M329 HydrophobicContact CG2-SD 3.68Å; N325-M329 HydrophobicContact CB-SD 4.47Å; N325-M329 WeakPolarHBondContact O-CB 3.37Å; N325-M329 WeakPolarHBondContact O-CG 3.27Å; N325-M329 PolarHBondContact O-N 3.33Å; V326-M329 PolarHBondContact O-N 2.73Å; I327-M329 VanDerWaalsContact C-N 3.35Å; I327-M329 PolarHBondContact O-N 3.42Å; M329-K331 PolarHBondContact O-N 3.35Å; M329-D332 WeakPolarHBondContact O-CB 3.38Å; M329-D332 PolarHBondContact O-N 3.45Å
330	M	95.6	Very high	92.9	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.02	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26	173.3	-79.2	-58.2	-55.9	0	0	113	Y43 A47 A48 V326 I327 D332 F335 C337	Y43-M330 HydrophobicContact CE1-CE 4.29Å; A47-M330 HydrophobicContact CB-CE 4.16Å; A47-M330 HydrophobicContact CB-SD 3.96Å; A48-M330 HydrophobicContact CB-CG 3.94Å; A48-M330 HydrophobicContact CB-SD 3.52Å; A48-M330 VanDerWaalsContact CB-SD 3.52Å; A48-M330 PolarHBondContact N-SD 3.47Å; A48-M330 VanDerWaalsContact N-SD 3.38Å; V326-M330 WeakPolarHBondContact O-CG 3.3Å; V326-M330 PolarHBondContact O-N 2.79Å; I327-M330 PolarHBondContact O-N 3.48Å; M330-D332 VanDerWaalsContact C-N 3.31Å; M330-F335 HydrophobicContact CE-CB 4.26Å; M330-C337 HydrophobicContact CB-CB 4.36Å; M330-C337 HydrophobicContact CE-CB 3.75Å; M330-C337 WeakPolarHBondContact O-CB 3.45Å; M330-C337 PolarHBondContact O-N 3.18Å
331	K	94.4	Very high	92.9	Very high	118 Å²	118	63.7 Å²	63.7	51%	0.513	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.5	176	76.2	-162.3	176.6	-167.8	0	113.6	E328 M329 V338	E328-K331 VanDerWaalsContact O-CD 3.31Å; E328-K331 WeakPolarHBondContact O-CD 3.16Å; E328-K331 WeakPolarHBondContact O-CE 3.41Å; E328-K331 VanDerWaalsContact O-CG 3.31Å; E328-K331 WeakPolarHBondContact O-CG 3.46Å; M329-K331 PolarHBondContact O-N 3.35Å; K331-V338 HydrophobicContact CB-CG2 4.3Å
332	D	95.3	Very high	92.6	Very high	64 Å²	64	64.8 Å²	64.8	34%	0.342	33%	0.332	S	S	.	.	S	Bend	trans	-84.3	162.1	-175.6	-60.8	-17.9	0	0	0	111	L51 M329 M330 F335 N336	L51-D332 HydrophobicContact CD1-CB 4.49Å; M329-D332 WeakPolarHBondContact O-CB 3.38Å; M329-D332 PolarHBondContact O-N 3.45Å; M330-D332 VanDerWaalsContact C-N 3.31Å; D332-F335 PolarHBondContact O-N 2.65Å; D332-F335 VanDerWaalsContact O-N 3.07Å; D332-N336 PolarHBondContact O-N 3.42Å
333	E	92.9	Very high	92.2	Very high	165 Å²	165	65.5 Å²	65.5	77%	0.771	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	134.5	174.6	-168.4	-178.7	169.1	0	0	110.2
334	P	94.7	Very high	92	Very high	34 Å²	34	70.1 Å²	70.1	22%	0.221	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.9	-10	11.8	36	-33.8	0	0	0	115.7	F70 W72 N336	F70-P334 HydrophobicContact CB-CG 4.08Å; F70-P334 HydrophobicContact CD2-CG 4.43Å; W72-P334 HydrophobicContact CH2-CB 4.02Å; W72-P334 HydrophobicContact CH2-CG 4.34Å; W72-P334 WeakPolarHBondContact CH2-O 2.95Å; W72-P334 HydrophobicContact CZ3-CB 3.81Å; W72-P334 HydrophobicContact CZ3-CG 3.77Å; P334-N336 PolarHBondContact O-N 2.96Å; P334-N336 PolarHBondContact O-ND2 3.49Å; P334-N336 VanDerWaalsContact O-ND2 3.09Å
335	F	94.8	Very high	91.6	Very high	11 Å²	11	68.5 Å²	68.5	5%	0.048	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-35.8	-169.7	-60.7	-58.2	0	0	0	113.4	L28 Y43 A47 A48 V50 L51 W72 M330 D332 C337	L28-F335 HydrophobicContact CD1-CE1 4.28Å; L28-F335 HydrophobicContact CD1-CZ 4.05Å; Y43-F335 AromaticContact CE2-CD1 3.89Å; Y43-F335 HydrophobicContact CE2-CD1 3.89Å; Y43-F335 HydrophobicContact CE2-CE1 4.2Å; Y43-F335 WeakPolarHBondContact OH-CD1 3.5Å; A47-F335 HydrophobicContact CB-CD1 4.03Å; A47-F335 HydrophobicContact CB-CD2 4.37Å; A47-F335 HydrophobicContact CB-CE1 3.69Å; A47-F335 HydrophobicContact CB-CE2 4.05Å; A47-F335 HydrophobicContact CB-CG 4.36Å; A47-F335 HydrophobicContact CB-CZ 3.71Å; A47-F335 WeakPolarHBondContact O-CE2 2.9Å; A47-F335 WeakPolarHBondContact O-CZ 3.48Å; A48-F335 HydrophobicContact CB-CD2 4.43Å; V50-F335 HydrophobicContact CG2-CE2 4.21Å; V50-F335 HydrophobicContact CG2-CZ 4.05Å; L51-F335 HydrophobicContact CD1-CD2 3.73Å; L51-F335 HydrophobicContact CD1-CE2 3.85Å; L51-F335 HydrophobicContact CD2-CE2 4.45Å; L51-F335 HydrophobicContact CG-CD2 4.28Å; L51-F335 HydrophobicContact CG-CE2 3.87Å; W72-F335 HydrophobicContact CD2-CD1 4.16Å; W72-F335 HydrophobicContact CD2-CE1 4.03Å; W72-F335 HydrophobicContact CE3-CD1 4.04Å; W72-F335 AromaticContact CE3-CE1 3.77Å; W72-F335 HydrophobicContact CE3-CE1 3.77Å; W72-F335 HydrophobicContact CH2-CD1 4.07Å; W72-F335 HydrophobicContact CZ2-CD1 4.14Å; W72-F335 HydrophobicContact CZ3-CD1 4.01Å; W72-F335 HydrophobicContact CZ3-CE1 4.08Å; M330-F335 HydrophobicContact CE-CB 4.26Å; D332-F335 PolarHBondContact O-N 2.65Å; D332-F335 VanDerWaalsContact O-N 3.07Å; F335-C337 PolarHBondContact O-N 3.41Å
336	N	93.6	Very high	91.3	Very high	98 Å²	98	68.4 Å²	68.4	52%	0.524	35%	0.352	S	S	.	.			trans	45.1	34.3	177.2	-63	-65.9	0	0	0	113.2	D332 P334 V338	D332-N336 PolarHBondContact O-N 3.42Å; P334-N336 PolarHBondContact O-N 2.96Å; P334-N336 PolarHBondContact O-ND2 3.49Å; P334-N336 VanDerWaalsContact O-ND2 3.09Å; N336-V338 VanDerWaalsContact C-N 3.26Å; N336-V338 PolarHBondContact O-N 3.1Å
337	C	90.9	Very high	91.1	Very high	11 Å²	11	71.5 Å²	71.5	7%	0.074	37%	0.374	C	S	.	.			trans	-80.3	80.4	-176.4	-165.3	0	0	0	0	108.5	M330 F335 C341	M330-C337 HydrophobicContact CB-CB 4.36Å; M330-C337 HydrophobicContact CE-CB 3.75Å; M330-C337 WeakPolarHBondContact O-CB 3.45Å; M330-C337 PolarHBondContact O-N 3.18Å; F335-C337 PolarHBondContact O-N 3.41Å; C337-C341 HydrophobicContact CB-CB 3.91Å; C337-C341 WeakPolarHBondContact CB-SG 3.5Å; C337-C341 WeakPolarHBondContact O-CB 3.47Å; C337-C341 WeakPolarHBondContact SG-CB 3.35Å; C337-C341 PolarHBondContact SG-N 2.71Å; C337-C341 CovalentContact SG-SG 2.03Å; C337-C341 PolarHBondContact SG-SG 3.13Å
338	V	89.2	Confident	90.9	Very high	91 Å²	91	71.6 Å²	71.6	55%	0.552	38%	0.379	S	S	*	.	S	Bend	trans	-92.7	-65.8	179.5	-175.3	0	0	0	0	109.2	K331 N336 V342	K331-V338 HydrophobicContact CB-CG2 4.3Å; N336-V338 VanDerWaalsContact C-N 3.26Å; N336-V338 PolarHBondContact O-N 3.1Å; V338-V342 WeakPolarHBondContact O-CG2 3.44Å
339	E	87.7	Confident	90.8	Very high	177 Å²	177	68.1 Å²	68.1	83%	0.827	36%	0.364	S	S	*	.	S	Bend	trans	-72.8	-40.9	-175.3	-62.1	-176.2	173.6	0	0	112.5	C341	E339-C341 VanDerWaalsContact C-N 3.25Å; E339-C341 PolarHBondContact O-N 3.07Å
340	D	84.8	Confident	90.5	Very high	94 Å²	94	66.8 Å²	66.8	50%	0.503	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.1	-176.9	-79.2	-7.6	0	0	0	114	R44 Y346	R44-D340 WeakPolarHBondContact CD-O 3.41Å; R44-D340 PolarHBondContact NE-O 3.04Å; D340-Y346 WeakPolarHBondContact O-CE2 3.42Å
341	C	88.9	Confident	90.2	Very high	23 Å²	23	67.4 Å²	67.4	16%	0.155	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	13.3	-175.1	-70.6	0	0	0	0	114	C337 E339	C337-C341 HydrophobicContact CB-CB 3.91Å; C337-C341 WeakPolarHBondContact CB-SG 3.5Å; C337-C341 WeakPolarHBondContact O-CB 3.47Å; C337-C341 WeakPolarHBondContact SG-CB 3.35Å; C337-C341 PolarHBondContact SG-N 2.71Å; C337-C341 CovalentContact SG-SG 2.03Å; C337-C341 PolarHBondContact SG-SG 3.13Å; E339-C341 VanDerWaalsContact C-N 3.25Å; E339-C341 PolarHBondContact O-N 3.07Å
342	V	85.6	Confident	90	Very high	114 Å²	114	61.9 Å²	61.9	69%	0.691	34%	0.336	S	S	*	.			trans	-77.1	-25.3	-177.2	-171.5	0	0	0	0	113.7	V338	V338-V342 WeakPolarHBondContact O-CG2 3.44Å
343	G	86	Confident	89.9	Confident	25 Å²	25	58.8 Å²	58.8	26%	0.258	32%	0.319	S	S	.	.	S	Bend	trans	-57.8	148.1	-172.5	0	0	0	0	0	114	E345 Y346	G343-E345 PolarHBondContact O-N 3.5Å; G343-E345 VanDerWaalsContact O-N 3.16Å; G343-Y346 PolarHBondContact O-N 3.44Å
344	E	87.4	Confident	89.8	Confident	116 Å²	116	51 Å²	51	54%	0.542	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-56.6	-31.8	174.6	-168.1	-171.8	168.2	0	0	110.2	G273 K275 Y346 S347	G273-E344 WeakPolarHBondContact CA-O 3.21Å; K275-E344 WeakPolarHBondContact CE-OE1 3.41Å; K275-E344 IonicContact NZ-OE1 2.88Å; K275-E344 PolarHBondContact NZ-OE1 2.99Å; K275-E344 IonicContact NZ-OE2 3.86Å; E344-Y346 PolarHBondContact O-N 2.66Å; E344-Y346 VanDerWaalsContact O-N 3.12Å; E344-S347 WeakPolarHBondContact O-CB 3.4Å; E344-S347 PolarHBondContact O-N 3.31Å; E344-S347 VanDerWaalsContact O-N 3.16Å; E344-S347 PolarHBondContact O-OG 3.2Å
345	E	86	Confident	89.7	Confident	86 Å²	86	49.3 Å²	49.3	40%	0.402	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-53.5	-26.7	172.2	51.8	-98.2	-132.1	0	0	115.1	V272 G273 G343	V272-E345 HydrophobicContact CB-CB 4.21Å; V272-E345 HydrophobicContact CG1-CB 3.25Å; V272-E345 WeakPolarHBondContact CG1-O 3.31Å; G273-E345 PolarHBondContact N-O 3.43Å; G343-E345 PolarHBondContact O-N 3.5Å; G343-E345 VanDerWaalsContact O-N 3.16Å
346	Y	90.2	Very high	89.7	Confident	41 Å²	41	48.8 Å²	48.8	16%	0.161	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-103.9	8.8	-175.7	-48.1	-46.7	0	0	0	113.2	Q38 R44 T45 I327 D340 G343 E344 S348	Q38-Y346 HydrophobicContact CG-CE1 4.23Å; Q38-Y346 VanDerWaalsContact NE2-CD1 3.25Å; R44-Y346 HydrophobicContact CB-CD1 3.89Å; R44-Y346 HydrophobicContact CB-CE1 4.24Å; R44-Y346 HydrophobicContact CB-CG 4.13Å; R44-Y346 VanDerWaalsContact CD-CE1 3.43Å; R44-Y346 VanDerWaalsContact CD-CE2 3.5Å; R44-Y346 HydrophobicContact CG-CE1 4.45Å; T45-Y346 HydrophobicContact CG2-CD1 4.25Å; I327-Y346 WeakPolarHBondContact CD1-O 3.47Å; D340-Y346 WeakPolarHBondContact O-CE2 3.42Å; G343-Y346 PolarHBondContact O-N 3.44Å; E344-Y346 PolarHBondContact O-N 2.66Å; E344-Y346 VanDerWaalsContact O-N 3.12Å; Y346-S348 PolarHBondContact O-N 3.44Å
347	S	89.8	Confident	89.8	Confident	66 Å²	66	44.2 Å²	44.2	46%	0.462	25%	0.245	S	C	.	.	S	Bend	trans	-76.1	-6.5	-177.6	63	0	0	0	0	114.9	G273 E344	G273-S347 WeakPolarHBondContact CA-OG 3.43Å; G273-S347 PolarHBondContact O-OG 3.37Å; E344-S347 WeakPolarHBondContact O-CB 3.4Å; E344-S347 PolarHBondContact O-N 3.31Å; E344-S347 VanDerWaalsContact O-N 3.16Å; E344-S347 PolarHBondContact O-OG 3.2Å
348	S	90.4	Very high	90	Very high	47 Å²	47	43.9 Å²	43.9	33%	0.329	24%	0.243	S	C	.	.	S	Bend	trans	-126.8	140.7	-179.9	-178.7	0	0	0	0	111.3	T45 G274 Y346	T45-S348 WeakPolarHBondContact CB-O 3.5Å; T45-S348 WeakPolarHBondContact CG2-O 3.24Å; G274-S348 VanDerWaalsContact CA-CB 3.41Å; G274-S348 VanDerWaalsContact N-CB 3.34Å; Y346-S348 PolarHBondContact O-N 3.44Å
349	V	91.9	Very high	90.2	Very high	16 Å²	16	39.5 Å²	39.5	10%	0.097	22%	0.216	C	C	.	.			trans	-60.6	145.1	176.4	72.2	0	0	0	0	111.1	T45 F322 S323 V326 A353	T45-V349 WeakPolarHBondContact O-CG2 3.33Å; F322-V349 HydrophobicContact CE1-CG2 4.32Å; S323-V349 WeakPolarHBondContact OG-CG1 3.39Å; V326-V349 HydrophobicContact CB-CG2 4.03Å; V326-V349 HydrophobicContact CG1-CG2 3.91Å; V326-V349 HydrophobicContact CG2-CG2 4.27Å; V349-A353 HydrophobicContact CG2-CB 3.44Å; V349-A353 VanDerWaalsContact CG2-CB 3.44Å
350	A	91.1	Very high	90.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	18%	0.177	C	C	.	.			trans	-66.9	144.8	175.1	0	0	0	0	0	110.8	V39 G40 T45 Y352 A353	V39-A350 WeakPolarHBondContact O-CA 3.45Å; G40-A350 WeakPolarHBondContact O-CB 3.37Å; T45-A350 PolarHBondContact O-N 3.48Å; T45-A350 WeakPolarHBondContact OG1-CB 3.45Å; A350-Y352 PolarHBondContact O-N 3.4Å; A350-Y352 VanDerWaalsContact O-N 3.07Å; A350-A353 HydrophobicContact CB-CB 4.4Å; A350-A353 WeakPolarHBondContact O-CB 3.22Å; A350-A353 PolarHBondContact O-N 2.75Å
351	K	88	Confident	91.2	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.078	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-40.1	-175.7	-62.8	-176.9	-162.6	-141.8	0	113.9	V39 G40 E270 M309	V39-K351 VanDerWaalsContact CG1-CE 3.48Å; V39-K351 HydrophobicContact CG1-CG 4.43Å; V39-K351 WeakPolarHBondContact O-CG 3.44Å; V39-K351 PolarHBondContact O-N 3.31Å; G40-K351 PolarHBondContact O-N 3.04Å; E270-K351 WeakPolarHBondContact OE2-CD 3.45Å; E270-K351 WeakPolarHBondContact OE2-CE 3.46Å; E270-K351 WeakPolarHBondContact OE2-CG 3.41Å; E270-K351 IonicContact OE2-NZ 2.82Å; E270-K351 PolarHBondContact OE2-NZ 3.16Å; M309-K351 HydrophobicContact CE-CD 4.16Å; M309-K351 HydrophobicContact SD-CB 3.77Å; M309-K351 HydrophobicContact SD-CD 3.86Å; M309-K351 HydrophobicContact SD-CG 4.2Å
352	Y	91	Very high	91.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	4.4	-175.2	-64.3	-74.2	0	0	0	114.4	G40 I41 L126 T262 N263 M309 A350 G354 Q355 L356	G40-Y352 WeakPolarHBondContact O-CD2 3.05Å; G40-Y352 PolarHBondContact O-N 2.98Å; G40-Y352 VanDerWaalsContact O-N 3.11Å; I41-Y352 HydrophobicContact CG2-CD2 3.78Å; I41-Y352 HydrophobicContact CG2-CG 4.36Å; L126-Y352 HydrophobicContact CD2-CD2 4.41Å; 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 3.17Å; N263-Y352 VanDerWaalsContact CA-OH 3.27Å; N263-Y352 WeakPolarHBondContact CA-OH 3.42Å; N263-Y352 PolarHBondContact N-OH 3.3Å; M309-Y352 HydrophobicContact CG-CD1 4.49Å; M309-Y352 HydrophobicContact CG-CE1 4.07Å; A350-Y352 PolarHBondContact O-N 3.4Å; A350-Y352 VanDerWaalsContact O-N 3.07Å; Y352-G354 PolarHBondContact O-N 3.24Å; Y352-G354 VanDerWaalsContact O-N 3.12Å; Y352-Q355 HydrophobicContact CD1-CG 4.32Å; Y352-Q355 VanDerWaalsContact CD1-NE2 3.34Å; Y352-Q355 VanDerWaalsContact CD1-OE1 3.25Å; Y352-Q355 WeakPolarHBondContact O-CB 3.39Å; Y352-Q355 PolarHBondContact O-N 2.97Å; Y352-L356 PolarHBondContact O-N 2.9Å
353	A	93	Very high	92	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-29	178.6	0	0	0	0	0	112.3	A49 F322 V349 A350 L356 A357	A49-A353 HydrophobicContact CB-CB 4.36Å; A49-A353 WeakPolarHBondContact CB-O 3.24Å; F322-A353 HydrophobicContact CE1-CB 4.42Å; F322-A353 HydrophobicContact CZ-CB 4.45Å; V349-A353 HydrophobicContact CG2-CB 3.44Å; V349-A353 VanDerWaalsContact CG2-CB 3.44Å; A350-A353 HydrophobicContact CB-CB 4.4Å; A350-A353 WeakPolarHBondContact O-CB 3.22Å; A350-A353 PolarHBondContact O-N 2.75Å; A353-L356 WeakPolarHBondContact O-CB 3.16Å; A353-L356 PolarHBondContact O-N 3.34Å; A353-A357 PolarHBondContact O-N 3.26Å; A353-A357 VanDerWaalsContact O-N 3.15Å
354	G	91.9	Very high	92.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.1	-40.1	173	0	0	0	0	0	113.3	Y352 L356 A357 D358 V396	Y352-G354 PolarHBondContact O-N 3.24Å; Y352-G354 VanDerWaalsContact O-N 3.12Å; G354-L356 VanDerWaalsContact C-N 3.31Å; G354-L356 PolarHBondContact O-N 3.36Å; G354-A357 WeakPolarHBondContact O-CB 3.43Å; G354-A357 PolarHBondContact O-N 3.07Å; G354-D358 PolarHBondContact O-N 3.23Å; G354-V396 VanDerWaalsContact CA-CG2 3.45Å
355	Q	92.3	Very high	92.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-37	176.2	-67	179.1	-10	0	0	112.1	W124 F144 S145 D307 Y352 D358 A359	W124-Q355 HydrophobicContact CB-CB 4.1Å; F144-Q355 HydrophobicContact CB-CB 4.44Å; S145-Q355 PolarHBondContact OG-OE1 2.95Å; S145-Q355 VanDerWaalsContact OG-OE1 3.06Å; D307-Q355 PolarHBondContact OD2-NE2 2.78Å; Y352-Q355 HydrophobicContact CD1-CG 4.32Å; Y352-Q355 VanDerWaalsContact CD1-NE2 3.34Å; Y352-Q355 VanDerWaalsContact CD1-OE1 3.25Å; Y352-Q355 WeakPolarHBondContact O-CB 3.39Å; Y352-Q355 PolarHBondContact O-N 2.97Å; Q355-D358 PolarHBondContact O-N 3.49Å; Q355-A359 WeakPolarHBondContact O-CB 3.37Å; Q355-A359 PolarHBondContact O-N 3.23Å
356	L	95.3	Very high	93.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.2	-44.7	173.9	174.8	57.4	0	0	0	111.3	L28 F30 A49 V50 F99 W124 Y352 A353 G354 F360	L28-L356 HydrophobicContact CD2-CD1 4.41Å; F30-L356 HydrophobicContact CE1-CD2 3.79Å; F30-L356 HydrophobicContact CZ-CD2 3.96Å; A49-L356 HydrophobicContact CB-CB 4.46Å; A49-L356 HydrophobicContact CB-CD2 4.18Å; A49-L356 HydrophobicContact CB-CG 4.32Å; V50-L356 HydrophobicContact CG1-CD1 3.95Å; V50-L356 HydrophobicContact CG1-CD2 4.01Å; V50-L356 HydrophobicContact CG1-CG 3.88Å; F99-L356 HydrophobicContact CB-CD1 3.79Å; F99-L356 HydrophobicContact CD1-CD1 4.18Å; F99-L356 HydrophobicContact CG-CD1 4.15Å; W124-L356 HydrophobicContact CD2-CB 3.72Å; W124-L356 HydrophobicContact CD2-CD1 4.39Å; W124-L356 HydrophobicContact CD2-CG 4.45Å; W124-L356 HydrophobicContact CE3-CB 3.83Å; W124-L356 HydrophobicContact CG-CB 4.15Å; W124-L356 HydrophobicContact CG-CD1 4.42Å; W124-L356 HydrophobicContact CH2-CD2 4.15Å; W124-L356 HydrophobicContact CZ2-CB 4.41Å; W124-L356 HydrophobicContact CZ2-CD2 3.84Å; W124-L356 HydrophobicContact CZ3-CB 4.23Å; Y352-L356 PolarHBondContact O-N 2.9Å; A353-L356 WeakPolarHBondContact O-CB 3.16Å; A353-L356 PolarHBondContact O-N 3.34Å; G354-L356 VanDerWaalsContact C-N 3.31Å; G354-L356 PolarHBondContact O-N 3.36Å; L356-F360 WeakPolarHBondContact O-CB 3.43Å; L356-F360 PolarHBondContact O-N 3.23Å
357	A	95.4	Very high	93.5	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-61.3	-50	176.2	0	0	0	0	0	111.9	A49 T53 F322 A353 G354 A359 F360 Y361 V396	A49-A357 HydrophobicContact CB-CB 4.29Å; T53-A357 WeakPolarHBondContact CG2-O 3.48Å; T53-A357 VanDerWaalsContact OG1-CA 3.27Å; T53-A357 WeakPolarHBondContact OG1-CA 3.21Å; T53-A357 WeakPolarHBondContact OG1-CB 3.24Å; F322-A357 HydrophobicContact CE2-CB 3.59Å; F322-A357 HydrophobicContact CZ-CB 3.82Å; A353-A357 PolarHBondContact O-N 3.26Å; A353-A357 VanDerWaalsContact O-N 3.15Å; G354-A357 WeakPolarHBondContact O-CB 3.43Å; G354-A357 PolarHBondContact O-N 3.07Å; A357-A359 VanDerWaalsContact C-N 3.34Å; A357-A359 PolarHBondContact O-N 3.47Å; A357-F360 PolarHBondContact O-N 3.37Å; A357-Y361 PolarHBondContact O-N 3.49Å; A357-V396 HydrophobicContact CB-CG1 3.62Å
358	D	93.8	Very high	93.7	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-61.9	-41.6	179.8	-64.1	-32.9	0	0	0	111.6	F144 G354 Q355 Y361 A362 F393 G395 V396 L401	F144-D358 HydrophobicContact CD1-CB 4.21Å; F144-D358 HydrophobicContact CE1-CB 4.13Å; G354-D358 PolarHBondContact O-N 3.23Å; Q355-D358 PolarHBondContact O-N 3.49Å; D358-Y361 PolarHBondContact O-N 3.47Å; D358-A362 WeakPolarHBondContact O-CB 3.48Å; D358-A362 PolarHBondContact O-N 3.19Å; D358-F393 HydrophobicContact CB-CE2 4.2Å; D358-F393 HydrophobicContact CB-CZ 4.06Å; D358-F393 WeakPolarHBondContact O-CZ 3.29Å; D358-G395 VanDerWaalsContact OD1-CA 3.26Å; D358-G395 WeakPolarHBondContact OD1-CA 3.39Å; D358-V396 PolarHBondContact OD1-N 3.02Å; D358-L401 HydrophobicContact CB-CD1 3.81Å; D358-L401 WeakPolarHBondContact OD2-CD1 3.27Å
359	A	94.5	Very high	93.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.4	-44.9	176.4	0	0	0	0	0	111.9	F99 F122 F144 Q355 A357 A362 Y363	F99-A359 HydrophobicContact CD1-CB 3.99Å; F99-A359 HydrophobicContact CE1-CB 3.91Å; F122-A359 HydrophobicContact CB-CB 4.26Å; F122-A359 HydrophobicContact CD1-CB 4.39Å; F144-A359 HydrophobicContact CB-CB 4.48Å; F144-A359 HydrophobicContact CD1-CB 3.98Å; F144-A359 HydrophobicContact CD2-CB 3.7Å; F144-A359 HydrophobicContact CE1-CB 4.16Å; F144-A359 HydrophobicContact CE2-CB 3.89Å; F144-A359 HydrophobicContact CG-CB 3.77Å; F144-A359 HydrophobicContact CZ-CB 4.14Å; Q355-A359 WeakPolarHBondContact O-CB 3.37Å; Q355-A359 PolarHBondContact O-N 3.23Å; A357-A359 VanDerWaalsContact C-N 3.34Å; A357-A359 PolarHBondContact O-N 3.47Å; A359-A362 PolarHBondContact O-N 3.13Å; A359-Y363 PolarHBondContact O-N 3.49Å
360	F	97.1	Very high	93.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67.6	-38	-179.9	-177.9	-133	0	0	0	112.2	V26 V50 T53 K54 I57 F68 F70 F99 L356 A357 Y363 A364	V26-F360 HydrophobicContact CG2-CE2 4.02Å; V50-F360 HydrophobicContact CB-CD1 3.94Å; V50-F360 HydrophobicContact CB-CE1 4.21Å; V50-F360 HydrophobicContact CG1-CD1 4.34Å; V50-F360 WeakPolarHBondContact O-CE1 3.33Å; T53-F360 HydrophobicContact CG2-CB 4.31Å; T53-F360 HydrophobicContact CG2-CD1 3.69Å; T53-F360 HydrophobicContact CG2-CE1 4.45Å; T53-F360 HydrophobicContact CG2-CG 4.36Å; K54-F360 HydrophobicContact CB-CE1 4.32Å; I57-F360 HydrophobicContact CD1-CD1 4.18Å; I57-F360 HydrophobicContact CD1-CE1 3.85Å; I57-F360 HydrophobicContact CD1-CZ 4.14Å; F68-F360 HydrophobicContact CB-CZ 4.44Å; F68-F360 AromaticContact CD1-CE2 3.93Å; F68-F360 HydrophobicContact CD1-CE2 3.93Å; F68-F360 AromaticContact CD1-CZ 3.7Å; F68-F360 HydrophobicContact CD1-CZ 3.7Å; F68-F360 HydrophobicContact CD2-CZ 4.13Å; F68-F360 AromaticContact CE1-CE2 3.93Å; F68-F360 HydrophobicContact CE1-CE2 3.93Å; F68-F360 AromaticContact CE1-CZ 3.86Å; F68-F360 HydrophobicContact CE1-CZ 3.86Å; F68-F360 HydrophobicContact CE2-CZ 4.28Å; F68-F360 AromaticContact CG-CZ 3.83Å; F68-F360 HydrophobicContact CG-CZ 3.83Å; F68-F360 HydrophobicContact CZ-CZ 4.15Å; F70-F360 AromaticContact CE1-CE1 3.87Å; F70-F360 HydrophobicContact CE1-CE1 3.87Å; F70-F360 HydrophobicContact CE1-CE2 4.25Å; F70-F360 AromaticContact CE1-CZ 3.65Å; F70-F360 HydrophobicContact CE1-CZ 3.65Å; F70-F360 AromaticContact CZ-CE1 3.81Å; F70-F360 HydrophobicContact CZ-CE1 3.81Å; F70-F360 AromaticContact CZ-CZ 3.79Å; F70-F360 HydrophobicContact CZ-CZ 3.79Å; F99-F360 VanDerWaalsContact CE1-CA 3.49Å; F99-F360 HydrophobicContact CE1-CB 4.01Å; F99-F360 HydrophobicContact CE1-CD2 4.46Å; F99-F360 AromaticContact CE2-CD2 3.77Å; F99-F360 HydrophobicContact CE2-CD2 3.77Å; F99-F360 HydrophobicContact CE2-CE2 4.5Å; F99-F360 HydrophobicContact CZ-CB 4.05Å; F99-F360 AromaticContact CZ-CD2 3.65Å; F99-F360 HydrophobicContact CZ-CD2 3.65Å; F99-F360 HydrophobicContact CZ-CG 4.32Å; L356-F360 WeakPolarHBondContact O-CB 3.43Å; L356-F360 PolarHBondContact O-N 3.23Å; A357-F360 PolarHBondContact O-N 3.37Å; F360-Y363 HydrophobicContact CD2-CD1 4.22Å; F360-Y363 HydrophobicContact CE2-CD1 4.25Å; F360-Y363 PolarHBondContact O-N 3.47Å; F360-A364 PolarHBondContact O-N 3.48Å
361	Y	96.3	Very high	94.1	Very high	32 Å²	32	12.2 Å²	12.2	13%	0.125	6%	0.055	C	C	.	.	H	α-helix	trans	-63	-47.1	173.1	-173.5	-98	0	0	0	111.7	T53 K56 I57 D60 A357 D358 Y363 A364 V365 F393	T53-Y361 HydrophobicContact CG2-CD2 4.43Å; K56-Y361 HydrophobicContact CD-CD2 4.27Å; K56-Y361 HydrophobicContact CD-CE2 4.25Å; K56-Y361 HydrophobicContact CG-CD2 4.28Å; K56-Y361 HydrophobicContact CG-CE2 4.07Å; I57-Y361 HydrophobicContact CG1-CD2 3.94Å; I57-Y361 HydrophobicContact CG1-CE2 4.42Å; D60-Y361 WeakPolarHBondContact OD2-CE2 3.47Å; D60-Y361 PolarHBondContact OD2-OH 2.96Å; A357-Y361 PolarHBondContact O-N 3.49Å; D358-Y361 PolarHBondContact O-N 3.47Å; Y361-Y363 VanDerWaalsContact C-N 3.33Å; Y361-Y363 PolarHBondContact O-N 3.37Å; Y361-A364 PolarHBondContact O-N 3.33Å; Y361-A364 VanDerWaalsContact O-N 3.13Å; Y361-V365 HydrophobicContact CD1-CG2 4.05Å; Y361-V365 HydrophobicContact CE1-CG2 3.64Å; Y361-V365 HydrophobicContact CE2-CG2 4.49Å; Y361-V365 WeakPolarHBondContact O-CG2 3.2Å; Y361-V365 PolarHBondContact O-N 3.46Å; Y361-F393 AromaticContact CD1-CD2 3.46Å; Y361-F393 HydrophobicContact CD1-CD2 3.46Å; Y361-F393 VanDerWaalsContact CD1-CD2 3.46Å; Y361-F393 AromaticContact CD1-CE2 3.72Å; Y361-F393 HydrophobicContact CD1-CE2 3.72Å; Y361-F393 AromaticContact CD1-CG 3.97Å; Y361-F393 HydrophobicContact CD1-CG 3.97Å; Y361-F393 HydrophobicContact CD1-CZ 4.39Å; Y361-F393 HydrophobicContact CE1-CB 4.04Å; Y361-F393 AromaticContact CE1-CD2 3.76Å; Y361-F393 HydrophobicContact CE1-CD2 3.76Å; Y361-F393 HydrophobicContact CE1-CE2 4.47Å; Y361-F393 HydrophobicContact CE1-CG 4Å
362	A	94.7	Very high	94.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.5	-42.2	178	0	0	0	0	0	112.3	F144 D358 A359 V365 A366 I389 M391 F393	F144-A362 HydrophobicContact CE1-CB 4.37Å; F144-A362 HydrophobicContact CZ-CB 3.66Å; D358-A362 WeakPolarHBondContact O-CB 3.48Å; D358-A362 PolarHBondContact O-N 3.19Å; A359-A362 PolarHBondContact O-N 3.13Å; A362-V365 PolarHBondContact O-N 3.27Å; A362-A366 WeakPolarHBondContact O-CB 3.36Å; A362-A366 PolarHBondContact O-N 3.17Å; A362-I389 HydrophobicContact CB-CD1 4.31Å; A362-M391 HydrophobicContact CB-CE 4.39Å; A362-M391 HydrophobicContact CB-SD 4.1Å; A362-M391 VanDerWaalsContact O-CE 3.3Å; A362-M391 WeakPolarHBondContact O-CE 2.96Å; A362-F393 HydrophobicContact CB-CE1 3.91Å; A362-F393 HydrophobicContact CB-CZ 4.12Å
363	Y	95.5	Very high	94.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.8	-50.8	172.2	167.1	-102.3	0	0	0	111.8	I24 V97 F99 P120 F122 A359 F360 Y361 V365 A366 V367 I385	I24-Y363 HydrophobicContact CG2-CE1 4.34Å; I24-Y363 WeakPolarHBondContact CG2-OH 3.4Å; V97-Y363 HydrophobicContact CB-CD2 4.36Å; V97-Y363 HydrophobicContact CB-CE1 4.42Å; V97-Y363 HydrophobicContact CB-CE2 3.74Å; V97-Y363 HydrophobicContact CG1-CD1 4.45Å; V97-Y363 HydrophobicContact CG1-CE1 3.84Å; V97-Y363 HydrophobicContact CG1-CE2 4.08Å; V97-Y363 HydrophobicContact CG2-CD2 3.86Å; V97-Y363 HydrophobicContact CG2-CE2 3.74Å; V97-Y363 HydrophobicContact CG2-CG 4.34Å; F99-Y363 HydrophobicContact CZ-CD1 4.21Å; F99-Y363 HydrophobicContact CZ-CG 4Å; P120-Y363 HydrophobicContact CG-CE2 4.19Å; F122-Y363 AromaticContact CE2-CD2 3.59Å; F122-Y363 HydrophobicContact CE2-CD2 3.59Å; F122-Y363 HydrophobicContact CE2-CG 4.11Å; F122-Y363 AromaticContact CZ-CD2 3.95Å; F122-Y363 HydrophobicContact CZ-CD2 3.95Å; F122-Y363 HydrophobicContact CZ-CG 4.34Å; A359-Y363 PolarHBondContact O-N 3.49Å; F360-Y363 HydrophobicContact CD2-CD1 4.22Å; F360-Y363 HydrophobicContact CE2-CD1 4.25Å; F360-Y363 PolarHBondContact O-N 3.47Å; Y361-Y363 VanDerWaalsContact C-N 3.33Å; Y361-Y363 PolarHBondContact O-N 3.37Å; Y363-V365 VanDerWaalsContact C-N 3.32Å; Y363-V365 PolarHBondContact O-N 2.84Å; Y363-A366 PolarHBondContact O-N 3.19Å; Y363-V367 HydrophobicContact CD2-CG2 3.93Å; Y363-V367 HydrophobicContact CE1-CG2 4.14Å; Y363-V367 HydrophobicContact CE2-CG2 3.48Å; Y363-V367 VanDerWaalsContact CE2-CG2 3.48Å; Y363-V367 HydrophobicContact CG-CG2 4.46Å; Y363-V367 WeakPolarHBondContact O-CG2 3.35Å; Y363-V367 PolarHBondContact O-N 3.12Å; Y363-I385 HydrophobicContact CD2-CG2 4.28Å; Y363-I385 HydrophobicContact CE2-CD1 4.11Å; Y363-I385 HydrophobicContact CE2-CG2 4.48Å
364	A	96.4	Very high	94.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-42.7	-178.8	0	0	0	0	0	111.9	I57 V62 L63 F360 Y361 V367 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 4.35Å; V62-A364 HydrophobicContact CG1-CB 4.2Å; L63-A364 HydrophobicContact CD1-CB 4.03Å; L63-A364 WeakPolarHBondContact CD1-O 3.45Å; F360-A364 PolarHBondContact O-N 3.48Å; Y361-A364 PolarHBondContact O-N 3.33Å; Y361-A364 VanDerWaalsContact O-N 3.13Å; A364-V367 PolarHBondContact O-N 3.44Å; A364-N368 VanDerWaalsContact O-CB 3.32Å; A364-N368 WeakPolarHBondContact O-CB 3.41Å; A364-N368 PolarHBondContact O-N 3.44Å
365	V	94.9	Very high	94.1	Very high	20 Å²	20	27.8 Å²	27.8	12%	0.121	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-43.4	175.8	173.7	0	0	0	0	111.5	V62 Y361 A362 Y363 N368 R369 M391	V62-V365 HydrophobicContact CG1-CG2 4.31Å; Y361-V365 HydrophobicContact CD1-CG2 4.05Å; Y361-V365 HydrophobicContact CE1-CG2 3.64Å; Y361-V365 HydrophobicContact CE2-CG2 4.49Å; Y361-V365 WeakPolarHBondContact O-CG2 3.2Å; Y361-V365 PolarHBondContact O-N 3.46Å; A362-V365 PolarHBondContact O-N 3.27Å; Y363-V365 VanDerWaalsContact C-N 3.32Å; Y363-V365 PolarHBondContact O-N 2.84Å; V365-N368 PolarHBondContact O-N 2.96Å; V365-R369 WeakPolarHBondContact O-CG 3.47Å; V365-R369 PolarHBondContact O-N 3.25Å; V365-M391 HydrophobicContact CB-CE 3.98Å; V365-M391 HydrophobicContact CB-SD 3.92Å; V365-M391 HydrophobicContact CG1-CE 3.83Å; V365-M391 HydrophobicContact CG1-SD 3.77Å
366	A	94.3	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-42.1	178.9	0	0	0	0	0	112.6	A362 Y363 N368 R369 L370 I385 I389 M391	A362-A366 WeakPolarHBondContact O-CB 3.36Å; A362-A366 PolarHBondContact O-N 3.17Å; Y363-A366 PolarHBondContact O-N 3.19Å; A366-N368 VanDerWaalsContact C-N 3.35Å; A366-R369 PolarHBondContact O-N 3.36Å; A366-L370 WeakPolarHBondContact O-CB 3.21Å; A366-L370 PolarHBondContact O-N 3.26Å; A366-I385 HydrophobicContact CB-CG2 4.12Å; A366-I389 HydrophobicContact CB-CD1 3.47Å; A366-I389 VanDerWaalsContact CB-CD1 3.47Å; A366-M391 HydrophobicContact CB-CE 4.11Å
367	V	95.4	Very high	93.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-40.5	174.4	177.5	0	0	0	0	110.7	L63 Y363 A364 R369 L370 L371 I379 I385	L63-V367 HydrophobicContact CD1-CB 4.24Å; L63-V367 HydrophobicContact CD1-CG1 4.26Å; L63-V367 HydrophobicContact CD2-CB 4.38Å; L63-V367 HydrophobicContact CD2-CG1 3.94Å; Y363-V367 HydrophobicContact CD2-CG2 3.93Å; Y363-V367 HydrophobicContact CE1-CG2 4.14Å; Y363-V367 HydrophobicContact CE2-CG2 3.48Å; Y363-V367 VanDerWaalsContact CE2-CG2 3.48Å; Y363-V367 HydrophobicContact CG-CG2 4.46Å; Y363-V367 WeakPolarHBondContact O-CG2 3.35Å; Y363-V367 PolarHBondContact O-N 3.12Å; A364-V367 PolarHBondContact O-N 3.44Å; V367-R369 PolarHBondContact O-N 3.33Å; V367-L370 PolarHBondContact O-N 3.47Å; V367-L371 HydrophobicContact CG1-CD1 3.84Å; V367-L371 HydrophobicContact CG1-CG 4.27Å; V367-L371 WeakPolarHBondContact O-CB 3.4Å; V367-L371 WeakPolarHBondContact O-CG 3.43Å; V367-L371 PolarHBondContact O-N 3.39Å; V367-I379 HydrophobicContact CG1-CG2 3.93Å; V367-I385 HydrophobicContact CG2-CD1 3.91Å; V367-I385 HydrophobicContact CG2-CG1 4.21Å; V367-I385 HydrophobicContact CG2-CG2 4.3Å
368	N	94.8	Very high	93.4	Very high	47 Å²	47	42.2 Å²	42.2	25%	0.251	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-44.5	177	-165.4	54.3	0	0	0	111.8	V62 L63 A364 V365 A366 L371 T372	V62-N368 HydrophobicContact CG1-CB 3.74Å; L63-N368 HydrophobicContact CD2-CB 3.85Å; L63-N368 HydrophobicContact CG-CB 3.98Å; L63-N368 PolarHBondContact N-OD1 3.42Å; A364-N368 VanDerWaalsContact O-CB 3.32Å; A364-N368 WeakPolarHBondContact O-CB 3.41Å; A364-N368 PolarHBondContact O-N 3.44Å; V365-N368 PolarHBondContact O-N 2.96Å; A366-N368 VanDerWaalsContact C-N 3.35Å; N368-L371 PolarHBondContact O-N 3.33Å; N368-T372 VanDerWaalsContact O-CB 3.3Å; N368-T372 WeakPolarHBondContact O-CB 3.43Å; N368-T372 PolarHBondContact O-N 3.28Å; N368-T372 PolarHBondContact O-OG1 3.15Å
369	R	93.9	Very high	93.2	Very high	103 Å²	103	43.5 Å²	43.5	39%	0.389	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-45.8	174.6	-73.8	174.2	178.9	-174.4	-0.2	111.6	V365 A366 V367 T372 A373 G390	V365-R369 WeakPolarHBondContact O-CG 3.47Å; V365-R369 PolarHBondContact O-N 3.25Å; A366-R369 PolarHBondContact O-N 3.36Å; V367-R369 PolarHBondContact O-N 3.33Å; R369-T372 PolarHBondContact O-N 3.46Å; R369-A373 WeakPolarHBondContact O-CB 3.5Å; R369-A373 PolarHBondContact O-N 3.37Å; R369-G390 PolarHBondContact NH1-O 3.39Å
370	L	93.6	Very high	93	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-48.5	178.2	175.9	60.5	0	0	0	111.7	A366 V367 A373 N374 A377 M384 I385	A366-L370 WeakPolarHBondContact O-CB 3.21Å; A366-L370 PolarHBondContact O-N 3.26Å; V367-L370 PolarHBondContact O-N 3.47Å; L370-A373 PolarHBondContact O-N 3.39Å; L370-N374 PolarHBondContact O-N 3.28Å; L370-A377 HydrophobicContact CD1-CB 3.7Å; L370-A377 HydrophobicContact CD2-CB 3.96Å; L370-A377 HydrophobicContact CG-CB 3.58Å; L370-M384 HydrophobicContact CD1-CE 4.26Å; L370-M384 HydrophobicContact CD1-CG 3.69Å; L370-M384 HydrophobicContact CD1-SD 3.85Å; L370-M384 HydrophobicContact CD2-CG 4.11Å; L370-M384 HydrophobicContact CD2-SD 4.36Å; L370-I385 HydrophobicContact CD2-CG1 3.86Å
371	L	93.6	Very high	92.9	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.131	26%	0.257	C	S	.	.	H	α-helix	trans	-71	-30.3	-179.6	-69	174.4	0	0	0	113	L63 F66 V367 N368 N374 P375 I379	L63-L371 HydrophobicContact CD2-CD1 3.95Å; F66-L371 HydrophobicContact CD2-CD1 4.37Å; F66-L371 HydrophobicContact CE1-CD1 4.35Å; F66-L371 HydrophobicContact CE2-CD1 3.43Å; F66-L371 VanDerWaalsContact CE2-CD1 3.43Å; F66-L371 HydrophobicContact CZ-CD1 3.41Å; F66-L371 VanDerWaalsContact CZ-CD1 3.41Å; V367-L371 HydrophobicContact CG1-CD1 3.84Å; V367-L371 HydrophobicContact CG1-CG 4.27Å; V367-L371 WeakPolarHBondContact O-CB 3.4Å; V367-L371 WeakPolarHBondContact O-CG 3.43Å; V367-L371 PolarHBondContact O-N 3.39Å; N368-L371 PolarHBondContact O-N 3.33Å; L371-N374 CarbonylContact O-C 3.49Å; L371-N374 VanDerWaalsContact O-C 3.27Å; L371-P375 VanDerWaalsContact O-CA 3.31Å; L371-P375 WeakPolarHBondContact O-CA 3.5Å; L371-P375 VanDerWaalsContact O-N 3.14Å; L371-I379 HydrophobicContact CD1-CG2 4.14Å; L371-I379 HydrophobicContact CD2-CG2 4.06Å; L371-I379 HydrophobicContact CG-CG2 4.35Å
372	T	92.2	Very high	92.7	Very high	106 Å²	106	46.9 Å²	46.9	65%	0.65	25%	0.252	S	S	*	.	H	α-helix	trans	-67.1	-41.4	173	-58.7	0	0	0	0	110.9	N368 R369	N368-T372 VanDerWaalsContact O-CB 3.3Å; N368-T372 WeakPolarHBondContact O-CB 3.43Å; N368-T372 PolarHBondContact O-N 3.28Å; N368-T372 PolarHBondContact O-OG1 3.15Å; R369-T372 PolarHBondContact O-N 3.46Å
373	A	92.1	Very high	92.6	Very high	82 Å²	82	48.7 Å²	48.7	68%	0.678	26%	0.263	S	S	*	.	H	α-helix	trans	-74.2	-36.6	177.2	0	0	0	0	0	112.7	R369 L370	R369-A373 WeakPolarHBondContact O-CB 3.5Å; R369-A373 PolarHBondContact O-N 3.37Å; L370-A373 PolarHBondContact O-N 3.39Å
374	N	91.8	Very high	92.4	Very high	67 Å²	67	51.8 Å²	51.8	36%	0.358	28%	0.278	S	S	.	.			trans	-144.3	98.5	178.3	179.4	5.1	0	0	0	110.7	L370 L371 Q376 A377	L370-N374 PolarHBondContact O-N 3.28Å; L371-N374 CarbonylContact O-C 3.49Å; L371-N374 VanDerWaalsContact O-C 3.27Å; N374-Q376 PolarHBondContact O-N 3.45Å; N374-Q376 PolarHBondContact OD1-N 3.39Å; N374-Q376 VanDerWaalsContact OD1-N 3.09Å; N374-A377 HydrophobicContact CB-CB 4.13Å; N374-A377 VanDerWaalsContact O-CB 3.24Å; N374-A377 WeakPolarHBondContact O-CB 3.36Å; N374-A377 PolarHBondContact O-N 3.11Å
375	P	88.9	Confident	92.3	Very high	92 Å²	92	51.8 Å²	51.8	60%	0.597	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.1	-179.9	-27.1	35.5	0	0	0	115.5	L371	L371-P375 VanDerWaalsContact O-CA 3.31Å; L371-P375 WeakPolarHBondContact O-CA 3.5Å; L371-P375 VanDerWaalsContact O-N 3.14Å
376	Q	88.6	Confident	92.1	Very high	169 Å²	169	51.7 Å²	51.7	79%	0.79	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	5.9	177.6	-59.2	-63.8	-22.8	0	0	112.8	N374	N374-Q376 PolarHBondContact O-N 3.45Å; N374-Q376 PolarHBondContact OD1-N 3.39Å; N374-Q376 VanDerWaalsContact OD1-N 3.09Å
377	A	89.3	Confident	91.9	Very high	13 Å²	13	61.1 Å²	61.1	11%	0.107	31%	0.312	C	S	.	.			trans	-63.4	143	178.9	0	0	0	0	0	112.1	L370 N374 I379 M384	L370-A377 HydrophobicContact CD1-CB 3.7Å; L370-A377 HydrophobicContact CD2-CB 3.96Å; L370-A377 HydrophobicContact CG-CB 3.58Å; N374-A377 HydrophobicContact CB-CB 4.13Å; N374-A377 VanDerWaalsContact O-CB 3.24Å; N374-A377 WeakPolarHBondContact O-CB 3.36Å; N374-A377 PolarHBondContact O-N 3.11Å; A377-I379 PolarHBondContact O-N 3.3Å; A377-M384 HydrophobicContact CB-SD 4.26Å
378	E	90	Very high	91.7	Very high	121 Å²	121	63.6 Å²	63.6	57%	0.565	33%	0.325	S	S	*	.			trans	-82.1	112.7	179.4	-173.1	178.7	-160.1	0	0	110.4	R380 N381	E378-R380 HydrophobicContact CG-CB 4.22Å; E378-R380 PolarHBondContact O-N 3.32Å; E378-R380 VanDerWaalsContact O-N 3.16Å; E378-N381 HydrophobicContact CB-CB 4.25Å; E378-N381 WeakPolarHBondContact O-CB 3.39Å; E378-N381 PolarHBondContact O-N 3.16Å; E378-N381 VanDerWaalsContact O-N 3.11Å
379	I	89.2	Confident	91.6	Very high	32 Å²	32	61.4 Å²	61.4	16%	0.164	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.7	-178.8	63.3	167.6	0	0	0	114.2	I24 V367 L371 A377 I385	I24-I379 HydrophobicContact CD1-CD1 4.36Å; I24-I379 HydrophobicContact CG1-CD1 3.94Å; V367-I379 HydrophobicContact CG1-CG2 3.93Å; L371-I379 HydrophobicContact CD1-CG2 4.14Å; L371-I379 HydrophobicContact CD2-CG2 4.06Å; L371-I379 HydrophobicContact CG-CG2 4.35Å; A377-I379 PolarHBondContact O-N 3.3Å; I379-I385 WeakPolarHBondContact O-CD1 3.48Å
380	R	91.3	Very high	91.5	Very high	62 Å²	62	57.8 Å²	57.8	23%	0.234	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-12.1	175.5	-164.3	172.3	175.9	120.9	-0.5	112.1	L90 K94 V95 I119 E378 G382	L90-R380 PolarHBondContact O-NH2 3.03Å; K94-R380 PolarHBondContact O-NH1 3.14Å; V95-R380 PolarHBondContact O-NH1 3.3Å; V95-R380 VanDerWaalsContact O-NH1 3.14Å; I119-R380 HydrophobicContact CD1-CG 4.2Å; I119-R380 HydrophobicContact CG1-CG 3.71Å; E378-R380 HydrophobicContact CG-CB 4.22Å; E378-R380 PolarHBondContact O-N 3.32Å; E378-R380 VanDerWaalsContact O-N 3.16Å; R380-G382 PolarHBondContact O-N 2.99Å; R380-G382 VanDerWaalsContact O-N 3.11Å
381	N	93.6	Very high	91.4	Very high	41 Å²	41	58.1 Å²	58.1	22%	0.219	31%	0.31	C	S	.	.			trans	-81.1	90.8	-177	-169.9	-34.5	0	0	0	111	N118 E378 T383 M384 I385	N118-N381 VanDerWaalsContact ND2-CG 3.25Å; N118-N381 PolarHBondContact ND2-OD1 3.36Å; E378-N381 HydrophobicContact CB-CB 4.25Å; E378-N381 WeakPolarHBondContact O-CB 3.39Å; E378-N381 PolarHBondContact O-N 3.16Å; E378-N381 VanDerWaalsContact O-N 3.11Å; N381-T383 VanDerWaalsContact C-N 3.33Å; N381-T383 PolarHBondContact O-N 3.46Å; N381-M384 HydrophobicContact CB-CB 4.05Å; N381-M384 WeakPolarHBondContact O-CB 3.37Å; N381-M384 PolarHBondContact O-N 3.43Å; N381-M384 PolarHBondContact OD1-N 3.39Å; N381-I385 PolarHBondContact O-N 3.08Å; N381-I385 VanDerWaalsContact O-N 3.1Å
382	G	92.8	Very high	91.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.4	-41.6	-175.2	0	0	0	0	0	113.7	N118 P120 R380 M384 I385 L386	N118-G382 PolarHBondContact O-N 2.95Å; P120-G382 VanDerWaalsContact CD-CA 3.44Å; R380-G382 PolarHBondContact O-N 2.99Å; R380-G382 VanDerWaalsContact O-N 3.11Å; G382-M384 PolarHBondContact O-N 3.28Å; G382-I385 PolarHBondContact O-N 2.92Å; G382-L386 PolarHBondContact O-N 3.45Å
383	T	92.8	Very high	91.3	Very high	38 Å²	38	56.7 Å²	56.7	23%	0.233	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-36.9	178.3	-55	0	0	0	0	111.3	N118 N381 R387	N118-T383 WeakPolarHBondContact OD1-CB 3.36Å; N118-T383 PolarHBondContact OD1-N 3.36Å; N118-T383 PolarHBondContact OD1-OG1 3.33Å; N381-T383 VanDerWaalsContact C-N 3.33Å; N381-T383 PolarHBondContact O-N 3.46Å; T383-R387 VanDerWaalsContact O-CG 3.29Å; T383-R387 WeakPolarHBondContact O-CG 3.5Å; T383-R387 PolarHBondContact O-N 3.14Å
384	M	91.8	Very high	91.2	Very high	64 Å²	64	57.3 Å²	57.3	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-72.7	-36.9	178.8	-165.8	173.5	-140.6	0	0	112.2	L370 A377 N381 G382 N388	L370-M384 HydrophobicContact CD1-CE 4.26Å; L370-M384 HydrophobicContact CD1-CG 3.69Å; L370-M384 HydrophobicContact CD1-SD 3.85Å; L370-M384 HydrophobicContact CD2-CG 4.11Å; L370-M384 HydrophobicContact CD2-SD 4.36Å; A377-M384 HydrophobicContact CB-SD 4.26Å; N381-M384 HydrophobicContact CB-CB 4.05Å; N381-M384 WeakPolarHBondContact O-CB 3.37Å; N381-M384 PolarHBondContact O-N 3.43Å; N381-M384 PolarHBondContact OD1-N 3.39Å; G382-M384 PolarHBondContact O-N 3.28Å; M384-N388 PolarHBondContact O-ND2 3.41Å
385	I	93	Very high	91.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-47.6	175.7	-69	168.8	0	0	0	110.3	P120 Y363 A366 V367 L370 I379 N381 G382 R387 N388 I389	P120-I385 HydrophobicContact CG-CD1 3.98Å; Y363-I385 HydrophobicContact CD2-CG2 4.28Å; Y363-I385 HydrophobicContact CE2-CD1 4.11Å; Y363-I385 HydrophobicContact CE2-CG2 4.48Å; A366-I385 HydrophobicContact CB-CG2 4.12Å; V367-I385 HydrophobicContact CG2-CD1 3.91Å; V367-I385 HydrophobicContact CG2-CG1 4.21Å; V367-I385 HydrophobicContact CG2-CG2 4.3Å; L370-I385 HydrophobicContact CD2-CG1 3.86Å; I379-I385 WeakPolarHBondContact O-CD1 3.48Å; N381-I385 PolarHBondContact O-N 3.08Å; N381-I385 VanDerWaalsContact O-N 3.1Å; G382-I385 PolarHBondContact O-N 2.92Å; I385-R387 VanDerWaalsContact C-N 3.27Å; I385-R387 PolarHBondContact O-N 3.29Å; I385-N388 CarbonylContact O-C 3.6Å; I385-N388 WeakPolarHBondContact O-CA 3.37Å; I385-N388 PolarHBondContact O-N 3.41Å; I385-I389 PolarHBondContact O-N 3.01Å
386	L	92.1	Very high	91.1	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.099	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-29.3	-179.4	-69	-157.3	0	0	0	113	F122 L142 G382 N388 I389	F122-L386 HydrophobicContact CE1-CD2 4.4Å; F122-L386 HydrophobicContact CZ-CD2 4.02Å; L142-L386 HydrophobicContact CB-CD1 4.28Å; L142-L386 HydrophobicContact CB-CD2 4.2Å; L142-L386 HydrophobicContact CD2-CD2 4.5Å; G382-L386 PolarHBondContact O-N 3.45Å; L386-N388 PolarHBondContact O-N 3.41Å; L386-N388 VanDerWaalsContact O-N 3.12Å; L386-I389 HydrophobicContact CD2-CB 4.38Å; L386-I389 HydrophobicContact CD2-CG1 4.32Å; L386-I389 WeakPolarHBondContact O-CB 3.43Å; L386-I389 WeakPolarHBondContact O-CG2 3.46Å; L386-I389 PolarHBondContact O-N 3.12Å; L386-I389 VanDerWaalsContact O-N 3.15Å
387	R	90.3	Very high	90.8	Very high	197 Å²	197	42.8 Å²	42.8	74%	0.743	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.3	169.7	-76.1	173.6	-177.2	179.2	2.3	114.4	T383 I385	T383-R387 VanDerWaalsContact O-CG 3.29Å; T383-R387 WeakPolarHBondContact O-CG 3.5Å; T383-R387 PolarHBondContact O-N 3.14Å; I385-R387 VanDerWaalsContact C-N 3.27Å; I385-R387 PolarHBondContact O-N 3.29Å
388	N	90.6	Very high	90.5	Very high	52 Å²	52	43.3 Å²	43.3	28%	0.278	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	9	179.5	-69.3	-86.1	0	0	0	112.8	M384 I385 L386	M384-N388 PolarHBondContact O-ND2 3.41Å; I385-N388 CarbonylContact O-C 3.6Å; I385-N388 WeakPolarHBondContact O-CA 3.37Å; I385-N388 PolarHBondContact O-N 3.41Å; L386-N388 PolarHBondContact O-N 3.41Å; L386-N388 VanDerWaalsContact O-N 3.12Å
389	I	92.3	Very high	90.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.202	C	C	.	.			trans	-78.9	-18.4	-174.7	-152.6	60.2	0	0	0	113.6	F122 L142 A362 A366 I385 L386 M391 V403	F122-I389 HydrophobicContact CE1-CD1 3.98Å; F122-I389 HydrophobicContact CZ-CD1 4.1Å; L142-I389 HydrophobicContact CD2-CD1 4.44Å; L142-I389 HydrophobicContact CD2-CG1 3.59Å; L142-I389 HydrophobicContact CD2-CG2 4.34Å; A362-I389 HydrophobicContact CB-CD1 4.31Å; A366-I389 HydrophobicContact CB-CD1 3.47Å; A366-I389 VanDerWaalsContact CB-CD1 3.47Å; I385-I389 PolarHBondContact O-N 3.01Å; L386-I389 HydrophobicContact CD2-CB 4.38Å; L386-I389 HydrophobicContact CD2-CG1 4.32Å; L386-I389 WeakPolarHBondContact O-CB 3.43Å; L386-I389 WeakPolarHBondContact O-CG2 3.46Å; L386-I389 PolarHBondContact O-N 3.12Å; L386-I389 VanDerWaalsContact O-N 3.15Å; I389-M391 HydrophobicContact CD1-CE 3.99Å; I389-M391 HydrophobicContact CG1-CE 4.48Å; I389-M391 WeakPolarHBondContact O-CE 3.36Å; I389-M391 WeakPolarHBondContact O-CG 3.48Å; I389-M391 PolarHBondContact O-N 2.99Å; I389-V403 HydrophobicContact CG1-CG1 4.04Å; I389-V403 HydrophobicContact CG2-CG1 4.09Å
390	G	91.1	Very high	89.9	Confident	27 Å²	27	42.8 Å²	42.8	28%	0.278	23%	0.226	S	C	.	.			trans	-56.6	110.1	-178.5	0	0	0	0	0	112.6	R369 V403	R369-G390 PolarHBondContact NH1-O 3.39Å; G390-V403 WeakPolarHBondContact CA-O 3.39Å
391	M	91.7	Very high	89.7	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.059	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	160.6	-176	67.4	-175.2	80.2	0	0	113	A362 V365 A366 I389 F393 T402 V403	A362-M391 HydrophobicContact CB-CE 4.39Å; A362-M391 HydrophobicContact CB-SD 4.1Å; A362-M391 VanDerWaalsContact O-CE 3.3Å; A362-M391 WeakPolarHBondContact O-CE 2.96Å; V365-M391 HydrophobicContact CB-CE 3.98Å; V365-M391 HydrophobicContact CB-SD 3.92Å; V365-M391 HydrophobicContact CG1-CE 3.83Å; V365-M391 HydrophobicContact CG1-SD 3.77Å; A366-M391 HydrophobicContact CB-CE 4.11Å; I389-M391 HydrophobicContact CD1-CE 3.99Å; I389-M391 HydrophobicContact CG1-CE 4.48Å; I389-M391 WeakPolarHBondContact O-CE 3.36Å; I389-M391 WeakPolarHBondContact O-CG 3.48Å; I389-M391 PolarHBondContact O-N 2.99Å; M391-F393 HydrophobicContact CG-CD1 3.85Å; M391-F393 HydrophobicContact CG-CE1 4.29Å; M391-F393 HydrophobicContact SD-CD1 3.86Å; M391-F393 HydrophobicContact SD-CE1 4.22Å; M391-T402 WeakPolarHBondContact O-CA 3.24Å; M391-V403 HydrophobicContact CG-CB 4.43Å; M391-V403 PolarHBondContact N-O 3.41Å; M391-V403 VanDerWaalsContact N-O 3.16Å; M391-V403 PolarHBondContact O-N 3.28Å
392	T	92.8	Very high	89.5	Confident	81 Å²	81	41.8 Å²	41.8	50%	0.497	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.7	162.3	-56.4	0	0	0	0	107.8	D400 L401 T402	T392-D400 HydrophobicContact CG2-CB 3.91Å; T392-L401 CarbonylContact C-O 3.56Å; T392-L401 VanDerWaalsContact CA-O 3.25Å; T392-L401 WeakPolarHBondContact CA-O 3.28Å; T392-T402 WeakPolarHBondContact CG2-OG1 3.25Å; T392-T402 PolarHBondContact OG1-OG1 2.95Å
393	F	91.5	Very high	89.3	Confident	19 Å²	19	41.9 Å²	41.9	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.3	178	67.6	-83.6	0	0	0	110.8	F144 D358 Y361 A362 M391 G395 L401 V403	F144-F393 HydrophobicContact CE1-CZ 4.48Å; D358-F393 HydrophobicContact CB-CE2 4.2Å; D358-F393 HydrophobicContact CB-CZ 4.06Å; D358-F393 WeakPolarHBondContact O-CZ 3.29Å; Y361-F393 AromaticContact CD1-CD2 3.46Å; Y361-F393 HydrophobicContact CD1-CD2 3.46Å; Y361-F393 VanDerWaalsContact CD1-CD2 3.46Å; Y361-F393 AromaticContact CD1-CE2 3.72Å; Y361-F393 HydrophobicContact CD1-CE2 3.72Å; Y361-F393 AromaticContact CD1-CG 3.97Å; Y361-F393 HydrophobicContact CD1-CG 3.97Å; Y361-F393 HydrophobicContact CD1-CZ 4.39Å; Y361-F393 HydrophobicContact CE1-CB 4.04Å; Y361-F393 AromaticContact CE1-CD2 3.76Å; Y361-F393 HydrophobicContact CE1-CD2 3.76Å; Y361-F393 HydrophobicContact CE1-CE2 4.47Å; Y361-F393 HydrophobicContact CE1-CG 4Å; A362-F393 HydrophobicContact CB-CE1 3.91Å; A362-F393 HydrophobicContact CB-CZ 4.12Å; M391-F393 HydrophobicContact CG-CD1 3.85Å; M391-F393 HydrophobicContact CG-CE1 4.29Å; M391-F393 HydrophobicContact SD-CD1 3.86Å; M391-F393 HydrophobicContact SD-CE1 4.22Å; F393-G395 PolarHBondContact O-N 3.41Å; F393-L401 HydrophobicContact CE1-CB 4.35Å; F393-L401 HydrophobicContact CE2-CD1 4.29Å; F393-L401 HydrophobicContact CZ-CB 4.3Å; F393-L401 HydrophobicContact CZ-CD1 4.27Å; F393-L401 PolarHBondContact N-O 2.93Å; F393-L401 PolarHBondContact O-N 3.33Å; F393-V403 HydrophobicContact CE1-CG2 4.13Å
394	E	90.4	Very high	88.7	Confident	96 Å²	96	42 Å²	42	45%	0.449	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114	175.9	-167.9	-170.3	123.9	0	0	110.3	Q318	Q318-E394 PolarHBondContact NE2-OE1 3.46Å; Q318-E394 PolarHBondContact OE1-OE1 3.32Å
395	G	88.7	Confident	87.7	Confident	3 Å²	3	42.4 Å²	42.4	3%	0.031	24%	0.235	C	C	.	.			trans	-77	174.6	178.3	0	0	0	0	0	113.4	D358 F393 G397 G398 G399	D358-G395 VanDerWaalsContact OD1-CA 3.26Å; D358-G395 WeakPolarHBondContact OD1-CA 3.39Å; F393-G395 PolarHBondContact O-N 3.41Å; G395-G397 PolarHBondContact O-N 2.9Å; G395-G398 PolarHBondContact O-N 3.32Å; G395-G399 PolarHBondContact N-O 3.15Å
396	V	89.6	Confident	86.6	Confident	17 Å²	17	48.3 Å²	48.3	10%	0.103	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.8	-179.7	-63.6	0	0	0	0	114.5	Y319 F322 G354 A357 D358 G398	Y319-V396 HydrophobicContact CD2-CG2 4.35Å; F322-V396 HydrophobicContact CD1-CB 4.4Å; F322-V396 HydrophobicContact CD2-CB 4.35Å; F322-V396 HydrophobicContact CD2-CG1 3.85Å; F322-V396 HydrophobicContact CE2-CG1 3.91Å; F322-V396 HydrophobicContact CG-CB 4.23Å; F322-V396 HydrophobicContact CG-CG1 4.23Å; F322-V396 HydrophobicContact CZ-CG1 4.33Å; G354-V396 VanDerWaalsContact CA-CG2 3.45Å; A357-V396 HydrophobicContact CB-CG1 3.62Å; D358-V396 PolarHBondContact OD1-N 3.02Å; V396-G398 VanDerWaalsContact C-N 3.25Å; V396-G398 PolarHBondContact O-N 3.48Å
397	G	82.8	Confident	85.1	Confident	2 Å²	2	48.5 Å²	48.5	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.6	174.5	0	0	0	0	0	114.4	G310 N312 T316 G395	G310-G397 WeakPolarHBondContact O-CA 3.45Å; G310-G397 PolarHBondContact O-N 2.92Å; G310-G397 VanDerWaalsContact O-N 3.14Å; N312-G397 PolarHBondContact ND2-O 3.35Å; N312-G397 VanDerWaalsContact ND2-O 3.16Å; T316-G397 WeakPolarHBondContact CB-O 3.41Å; T316-G397 WeakPolarHBondContact CG2-O 3.29Å; T316-G397 PolarHBondContact OG1-O 3.34Å; G395-G397 PolarHBondContact O-N 2.9Å
398	G	82	Confident	84.5	Confident	25 Å²	25	39.5 Å²	39.5	26%	0.258	24%	0.237	S	C	.	.	S	Bend	trans	81.7	16.5	-174.5	0	0	0	0	0	114.5	N312 G395 V396	N312-G398 PolarHBondContact ND2-O 3.44Å; G395-G398 PolarHBondContact O-N 3.32Å; V396-G398 VanDerWaalsContact C-N 3.25Å; V396-G398 PolarHBondContact O-N 3.48Å
399	G	81.7	Confident	84.1	Confident	17 Å²	17	37.5 Å²	37.5	18%	0.175	23%	0.226	C	C	.	.	S	Bend	trans	-114	160.3	174.7	0	0	0	0	0	111.3	N312 G395 L401	N312-G399 WeakPolarHBondContact ND2-CA 3.36Å; N312-G399 PolarHBondContact ND2-N 3.45Å; N312-G399 VanDerWaalsContact ND2-N 3.15Å; N312-G399 WeakPolarHBondContact OD1-CA 3.37Å; G395-G399 PolarHBondContact N-O 3.15Å; G399-L401 PolarHBondContact O-N 3.45Å
400	D	85.9	Confident	83.8	Confident	125 Å²	125	39 Å²	39	67%	0.668	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71	119.9	177.7	-72	-25	0	0	0	111	T392	T392-D400 HydrophobicContact CG2-CB 3.91Å
401	L	86.8	Confident	83.5	Confident	27 Å²	27	38 Å²	38	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.1	171.2	-69.8	177.3	0	0	0	109.6	D358 T392 F393 G399	D358-L401 HydrophobicContact CB-CD1 3.81Å; D358-L401 WeakPolarHBondContact OD2-CD1 3.27Å; T392-L401 CarbonylContact C-O 3.56Å; T392-L401 VanDerWaalsContact CA-O 3.25Å; T392-L401 WeakPolarHBondContact CA-O 3.28Å; F393-L401 HydrophobicContact CE1-CB 4.35Å; F393-L401 HydrophobicContact CE2-CD1 4.29Å; F393-L401 HydrophobicContact CZ-CB 4.3Å; F393-L401 HydrophobicContact CZ-CD1 4.27Å; F393-L401 PolarHBondContact N-O 2.93Å; F393-L401 PolarHBondContact O-N 3.33Å; G399-L401 PolarHBondContact O-N 3.45Å
402	T	89.2	Confident	83.3	Confident	55 Å²	55	39.6 Å²	39.6	34%	0.337	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.9	176	-60.5	0	0	0	0	110.1	M391 T392 R409 T410	M391-T402 WeakPolarHBondContact O-CA 3.24Å; T392-T402 WeakPolarHBondContact CG2-OG1 3.25Å; T392-T402 PolarHBondContact OG1-OG1 2.95Å; T402-R409 WeakPolarHBondContact O-CA 3.3Å; T402-T410 PolarHBondContact O-N 2.95Å; T402-T410 PolarHBondContact O-OG1 3.29Å
403	V	88.8	Confident	83.3	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.2	172.7	-175.6	0	0	0	0	107.5	L142 F144 I389 G390 M391 F393	L142-V403 HydrophobicContact CD1-CG1 4.35Å; L142-V403 HydrophobicContact CD2-CG1 3.65Å; F144-V403 HydrophobicContact CE1-CG2 4.24Å; F144-V403 HydrophobicContact CZ-CG2 3.85Å; I389-V403 HydrophobicContact CG1-CG1 4.04Å; I389-V403 HydrophobicContact CG2-CG1 4.09Å; G390-V403 WeakPolarHBondContact CA-O 3.39Å; M391-V403 HydrophobicContact CG-CB 4.43Å; M391-V403 PolarHBondContact N-O 3.41Å; M391-V403 VanDerWaalsContact N-O 3.16Å; M391-V403 PolarHBondContact O-N 3.28Å; F393-V403 HydrophobicContact CE1-CG2 4.13Å
404	D	80.6	Confident	83.3	Confident	40 Å²	40	35.3 Å²	35.3	21%	0.214	21%	0.206	C	C	.	.			trans	-81.6	134.7	178.2	-168.1	-54.5	0	0	0	109.7	D406 A408	D404-D406 PolarHBondContact O-N 3.21Å; D404-D406 VanDerWaalsContact O-N 3.15Å; D404-D406 PolarHBondContact OD1-N 3.48Å; D404-A408 PolarHBondContact N-O 3.08Å; D404-A408 VanDerWaalsContact N-O 3.13Å
405	P	71	Confident	83.5	Confident	73 Å²	73	30.8 Å²	30.8	47%	0.474	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.1	175.3	-24.6	30.8	0	0	0	115.4
406	D	70	Confident	83.7	Confident	124 Å²	124	31.3 Å²	31.3	66%	0.663	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111	-1.1	-164.1	-73.3	-29	0	0	0	115	V135 D404	V135-D406 VanDerWaalsContact CG2-O 3.24Å; V135-D406 WeakPolarHBondContact CG2-O 3.46Å; D404-D406 PolarHBondContact O-N 3.21Å; D404-D406 VanDerWaalsContact O-N 3.15Å; D404-D406 PolarHBondContact OD1-N 3.48Å
407	S	59.8	Low	83.8	Confident	23 Å²	23	30.5 Å²	30.5	16%	0.161	18%	0.182	C	C	.	.	S	Bend	trans	-145.5	-61.3	-170.2	62.9	0	0	0	0	116.7	T133	T133-S407 WeakPolarHBondContact CB-O 3.42Å
408	A	77.1	Confident	84.3	Confident	8 Å²	8	30.7 Å²	30.7	7%	0.066	18%	0.182	C	C	.	.	S	Bend	trans	177.4	-176.3	-178.4	0	0	0	0	0	109	T133 P143 D404 T410	T133-A408 HydrophobicContact CG2-CB 4.17Å; P143-A408 HydrophobicContact CG-CB 4.23Å; D404-A408 PolarHBondContact N-O 3.08Å; D404-A408 VanDerWaalsContact N-O 3.13Å; A408-T410 PolarHBondContact O-N 2.68Å
409	R	83.2	Confident	84.7	Confident	10 Å²	10	31 Å²	31	4%	0.038	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-56.3	131.3	156.7	-171.9	-173.8	75.1	161.9	0.2	109.7	F144 D307 T402 S411	F144-R409 PolarHBondContact O-NE 3.11Å; F144-R409 PolarHBondContact O-NH2 2.72Å; F144-R409 VanDerWaalsContact O-NH2 3.1Å; D307-R409 IonicContact OD1-NH2 2.79Å; D307-R409 IonicContact OD2-NH2 2.67Å; T402-R409 WeakPolarHBondContact O-CA 3.3Å; R409-S411 PolarHBondContact O-N 3.01Å
410	T	84.4	Confident	85	Confident	34 Å²	34	34.8 Å²	34.8	21%	0.209	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-54	126.9	171.7	-55.2	0	0	0	0	109	T402 A408 I431 I432	T402-T410 PolarHBondContact O-N 2.95Å; T402-T410 PolarHBondContact O-OG1 3.29Å; A408-T410 PolarHBondContact O-N 2.68Å; T410-I431 HydrophobicContact CG2-CG2 3.84Å; T410-I432 WeakPolarHBondContact CG2-O 3.49Å
411	S	86.6	Confident	85.1	Confident	4 Å²	4	33 Å²	33	3%	0.028	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.5	-176.1	-69.6	0	0	0	0	110	R409 I432	R409-S411 PolarHBondContact O-N 3.01Å; S411-I432 PolarHBondContact N-O 3.06Å; S411-I432 WeakPolarHBondContact O-CD1 3.44Å; S411-I432 PolarHBondContact O-N 3.27Å
412	E	87.4	Confident	85.1	Confident	47 Å²	47	35.9 Å²	35.9	22%	0.22	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.7	172.4	177.1	172.4	164.2	0	0	108.8	K429	E412-K429 HydrophobicContact CG-CD 4.02Å; E412-K429 HydrophobicContact CG-CG 3.95Å; E412-K429 WeakPolarHBondContact OE1-CD 3.47Å; E412-K429 WeakPolarHBondContact OE1-CE 3.27Å; E412-K429 IonicContact OE1-NZ 3.88Å; E412-K429 PolarHBondContact OE1-NZ 3.43Å; E412-K429 WeakPolarHBondContact OE2-CE 3.23Å; E412-K429 IonicContact OE2-NZ 2.95Å; E412-K429 PolarHBondContact OE2-NZ 3.3Å
413	I	91.4	Very high	85.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.1	-178.8	-67.7	166.8	0	0	0	108.2	V146 S150 L151 A154 L305 V306 L430 I432	V146-I413 HydrophobicContact CG1-CD1 3.94Å; V146-I413 HydrophobicContact CG1-CG1 4.22Å; S150-I413 WeakPolarHBondContact O-CD1 3.29Å; L151-I413 HydrophobicContact CD2-CD1 3.81Å; L151-I413 HydrophobicContact CD2-CG1 4.37Å; L151-I413 HydrophobicContact CG-CD1 4.46Å; A154-I413 HydrophobicContact CB-CB 4.12Å; A154-I413 HydrophobicContact CB-CD1 3.58Å; A154-I413 HydrophobicContact CB-CG1 4.44Å; A154-I413 HydrophobicContact CB-CG2 3.83Å; L305-I413 HydrophobicContact CB-CG2 3.86Å; V306-I413 CarbonylContact O-C 3.58Å; V306-I413 WeakPolarHBondContact O-CA 3.39Å; I413-L430 HydrophobicContact CB-CB 4.35Å; I413-L430 PolarHBondContact N-O 3.07Å; I413-L430 WeakPolarHBondContact O-CD1 3.43Å; I413-L430 PolarHBondContact O-N 2.88Å; I413-I432 HydrophobicContact CB-CD1 4.13Å; I413-I432 HydrophobicContact CD1-CD1 3.69Å; I413-I432 HydrophobicContact CD1-CG1 4.33Å; I413-I432 HydrophobicContact CG1-CD1 4.05Å
414	I	91.8	Very high	85.2	Confident	10 Å²	10	39.1 Å²	39.1	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.3	179	59.5	177.3	0	0	0	110.5	L305 V306 N308 I416 T426	L305-I414 WeakPolarHBondContact CA-O 3.14Å; V306-I414 HydrophobicContact CG2-CD1 3.95Å; V306-I414 HydrophobicContact CG2-CG1 3.52Å; V306-I414 PolarHBondContact N-O 3.06Å; V306-I414 WeakPolarHBondContact O-CG1 3.42Å; V306-I414 PolarHBondContact O-N 3.35Å; N308-I414 HydrophobicContact CB-CD1 4.49Å; I414-I416 HydrophobicContact CD1-CD1 3.77Å; I414-I416 HydrophobicContact CD1-CG1 4.19Å; I414-I416 HydrophobicContact CG1-CD1 4.14Å; I414-I416 HydrophobicContact CG1-CG1 4.19Å; I414-T426 HydrophobicContact CB-CG2 4.15Å
415	M	94.1	Very high	85.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.2	174.8	-174.1	176.9	76.9	0	0	110.1	T158 F162 L303 F304 L305 T426 Y427 G428 L430 F439	T158-M415 HydrophobicContact CG2-SD 3.7Å; F162-M415 HydrophobicContact CE2-CE 3.79Å; F162-M415 HydrophobicContact CE2-SD 3.86Å; F162-M415 HydrophobicContact CZ-CE 3.74Å; F162-M415 HydrophobicContact CZ-SD 4.42Å; L303-M415 HydrophobicContact CD1-SD 4.41Å; F304-M415 CarbonylContact O-C 3.59Å; F304-M415 VanDerWaalsContact O-CA 3.26Å; F304-M415 WeakPolarHBondContact O-CA 3.27Å; L305-M415 HydrophobicContact CD2-CB 3.75Å; L305-M415 HydrophobicContact CD2-CG 3.73Å; L305-M415 HydrophobicContact CD2-SD 4.33Å; M415-T426 CarbonylContact O-C 3.48Å; M415-T426 WeakPolarHBondContact O-CA 3.39Å; M415-Y427 HydrophobicContact CE-CD2 4.46Å; M415-Y427 PolarHBondContact O-N 2.87Å; M415-G428 PolarHBondContact N-O 3.25Å; M415-L430 HydrophobicContact CB-CD1 4.02Å; M415-F439 HydrophobicContact CE-CE2 3.95Å; M415-F439 HydrophobicContact CE-CZ 3.61Å; M415-F439 HydrophobicContact SD-CE2 4.05Å; M415-F439 HydrophobicContact SD-CZ 4.33Å
416	I	92.8	Very high	86.6	Confident	15 Å²	15	40.1 Å²	40.1	8%	0.077	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.6	-176.3	-51.6	174.2	0	0	0	109.7	F267 L303 F304 V306 I414 P424 E425	F267-I416 HydrophobicContact CD2-CG2 3.95Å; F267-I416 HydrophobicContact CE2-CG2 4.11Å; L303-I416 CarbonylContact C-O 3.09Å; L303-I416 WeakPolarHBondContact CA-O 3.48Å; F304-I416 HydrophobicContact CB-CB 4.39Å; F304-I416 PolarHBondContact N-O 3.4Å; F304-I416 PolarHBondContact O-N 3.13Å; V306-I416 HydrophobicContact CG2-CD1 3.78Å; V306-I416 HydrophobicContact CG2-CG1 4.47Å; I414-I416 HydrophobicContact CD1-CD1 3.77Å; I414-I416 HydrophobicContact CD1-CG1 4.19Å; I414-I416 HydrophobicContact CG1-CD1 4.14Å; I414-I416 HydrophobicContact CG1-CG1 4.19Å; I416-P424 HydrophobicContact CG2-CB 3.99Å; I416-E425 WeakPolarHBondContact CA-O 3.44Å
417	G	93.5	Very high	87.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-168.7	170.2	0	0	0	0	0	112.1	P424 E425	G417-P424 CarbonylContact O-C 3.55Å; G417-P424 VanDerWaalsContact O-CA 3.31Å; G417-P424 WeakPolarHBondContact O-CA 3.3Å; G417-E425 PolarHBondContact N-O 3.13Å; G417-E425 PolarHBondContact O-N 3.3Å
418	L	92.8	Very high	89.3	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.2	173.8	-64.7	-177.3	0	0	0	110.9	F267 W280 M299 L423 P424 Y427 N452	F267-L418 HydrophobicContact CD1-CD2 4.12Å; F267-L418 HydrophobicContact CD1-CG 4.47Å; F267-L418 HydrophobicContact CD2-CD2 3.97Å; F267-L418 HydrophobicContact CE1-CD1 4.09Å; F267-L418 HydrophobicContact CE1-CD2 4Å; F267-L418 HydrophobicContact CE1-CG 3.88Å; F267-L418 HydrophobicContact CE2-CD2 3.87Å; F267-L418 HydrophobicContact CE2-CG 4.04Å; F267-L418 HydrophobicContact CG-CD2 4.09Å; F267-L418 HydrophobicContact CZ-CD1 4.31Å; F267-L418 HydrophobicContact CZ-CD2 3.89Å; F267-L418 HydrophobicContact CZ-CG 3.64Å; W280-L418 HydrophobicContact CH2-CD2 4.12Å; W280-L418 HydrophobicContact CZ3-CD1 4.34Å; W280-L418 HydrophobicContact CZ3-CD2 3.87Å; M299-L418 HydrophobicContact CB-CD1 4.16Å; L418-L423 WeakPolarHBondContact CA-O 3.42Å; L418-P424 HydrophobicContact CD2-CG 4.14Å; L418-Y427 PolarHBondContact O-OH 3.25Å; L418-N452 PolarHBondContact O-ND2 2.9Å; L418-N452 VanDerWaalsContact O-ND2 3.15Å
419	N	90.7	Very high	90	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.16	19%	0.192	C	C	.	.			trans	-75.8	-175	178.7	71.6	13.7	0	0	0	112.7	S421 R422 L423 E425 Y427 N452	N419-S421 PolarHBondContact O-N 3.03Å; N419-S421 WeakPolarHBondContact OD1-CA 3.19Å; N419-S421 WeakPolarHBondContact OD1-CB 3.17Å; N419-S421 PolarHBondContact OD1-N 2.93Å; N419-R422 WeakPolarHBondContact O-CA 3.29Å; N419-R422 PolarHBondContact O-N 3.34Å; N419-R422 PolarHBondContact OD1-N 3.05Å; N419-L423 PolarHBondContact N-O 3.38Å; N419-L423 PolarHBondContact OD1-N 3.26Å; N419-L423 PolarHBondContact OD1-O 3.08Å; N419-E425 HydrophobicContact CB-CB 4.16Å; N419-E425 WeakPolarHBondContact CB-OE2 3.44Å; N419-E425 PolarHBondContact ND2-OE2 3.22Å; N419-Y427 PolarHBondContact N-OH 3.17Å; N419-N452 VanDerWaalsContact C-OD1 3.3Å
420	S	87.4	Confident	90.5	Very high	97 Å²	97	34.4 Å²	34.4	68%	0.678	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.9	-178.5	60.6	0	0	0	0	113.6	R422 N452	S420-R422 VanDerWaalsContact C-N 3.28Å; S420-N452 WeakPolarHBondContact CA-OD1 3.34Å; S420-N452 PolarHBondContact N-OD1 3.08Å
421	S	88.1	Confident	90.8	Very high	87 Å²	87	35.5 Å²	35.5	61%	0.608	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	4.9	173.6	-60.4	0	0	0	0	113.2	N419 L423	N419-S421 PolarHBondContact O-N 3.03Å; N419-S421 WeakPolarHBondContact OD1-CA 3.19Å; N419-S421 WeakPolarHBondContact OD1-CB 3.17Å; N419-S421 PolarHBondContact OD1-N 2.93Å; S421-L423 PolarHBondContact O-N 3.33Å
422	R	87.3	Confident	90.9	Very high	88 Å²	88	35.5 Å²	35.5	33%	0.332	19%	0.194	S	C	.	.	S	Bend	trans	58.7	32.1	-177.2	-53.8	178.3	179.4	-169	-9.8	113.5	E293 R296 T297 N419 S420	E293-R422 IonicContact OE1-CZ 3.06Å; E293-R422 IonicContact OE1-NH1 3.05Å; E293-R422 PolarHBondContact OE1-NH1 3.08Å; R296-R422 HydrophobicContact CG-CB 4.13Å; T297-R422 PolarHBondContact OG1-NH1 2.91Å; N419-R422 WeakPolarHBondContact O-CA 3.29Å; N419-R422 PolarHBondContact O-N 3.34Å; N419-R422 PolarHBondContact OD1-N 3.05Å; S420-R422 VanDerWaalsContact C-N 3.28Å
423	L	89.4	Confident	90.6	Very high	83 Å²	83	36.5 Å²	36.5	44%	0.435	20%	0.201	S	C	.	.			trans	-102.2	147.2	172.4	-65.2	175.8	0	0	0	109.8	L418 N419 S421 E425	L418-L423 WeakPolarHBondContact CA-O 3.42Å; N419-L423 PolarHBondContact N-O 3.38Å; N419-L423 PolarHBondContact OD1-N 3.26Å; N419-L423 PolarHBondContact OD1-O 3.08Å; S421-L423 PolarHBondContact O-N 3.33Å; L423-E425 PolarHBondContact O-N 2.86Å
424	P	90.5	Very high	89.8	Confident	43 Å²	43	40.9 Å²	40.9	28%	0.279	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	131.5	176.5	-25.5	38	0	0	0	111.6	F267 Y278 W280 I416 G417 L418	F267-P424 HydrophobicContact CB-CB 4.37Å; F267-P424 HydrophobicContact CB-CG 3.7Å; F267-P424 HydrophobicContact CD2-CB 3.97Å; F267-P424 HydrophobicContact CD2-CG 4.04Å; F267-P424 HydrophobicContact CG-CG 4.12Å; Y278-P424 HydrophobicContact CD1-CG 4.27Å; Y278-P424 HydrophobicContact CE1-CG 3.77Å; W280-P424 HydrophobicContact CH2-CG 4.12Å; I416-P424 HydrophobicContact CG2-CB 3.99Å; G417-P424 CarbonylContact O-C 3.55Å; G417-P424 VanDerWaalsContact O-CA 3.31Å; G417-P424 WeakPolarHBondContact O-CA 3.3Å; L418-P424 HydrophobicContact CD2-CG 4.14Å
425	E	90.3	Very high	89.2	Confident	88 Å²	88	46.7 Å²	46.7	41%	0.411	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.7	178.5	-175.1	161.7	-172.3	0	0	110.4	I416 G417 N419 L423 Y427	I416-E425 WeakPolarHBondContact CA-O 3.44Å; G417-E425 PolarHBondContact N-O 3.13Å; G417-E425 PolarHBondContact O-N 3.3Å; N419-E425 HydrophobicContact CB-CB 4.16Å; N419-E425 WeakPolarHBondContact CB-OE2 3.44Å; N419-E425 PolarHBondContact ND2-OE2 3.22Å; L423-E425 PolarHBondContact O-N 2.86Å; E425-Y427 HydrophobicContact CB-CD1 4.48Å; E425-Y427 HydrophobicContact CB-CE1 3.94Å; E425-Y427 HydrophobicContact CG-CD1 4.27Å; E425-Y427 HydrophobicContact CG-CE1 4.02Å
426	T	91.1	Very high	88.9	Confident	45 Å²	45	50 Å²	50	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.6	179.3	-53.3	0	0	0	0	109.6	I414 M415 L442	I414-T426 HydrophobicContact CB-CG2 4.15Å; M415-T426 CarbonylContact O-C 3.48Å; M415-T426 WeakPolarHBondContact O-CA 3.39Å; T426-L442 HydrophobicContact CG2-CD1 3.92Å
427	Y	92.9	Very high	88.8	Confident	3 Å²	3	51 Å²	51	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-23.7	-178.3	-64.8	-25.8	0	0	0	113.2	L303 M415 L418 N419 E425 L442 Y443 D449 V450	L303-Y427 HydrophobicContact CD2-CD2 4.08Å; L303-Y427 HydrophobicContact CD2-CE2 4.08Å; M415-Y427 HydrophobicContact CE-CD2 4.46Å; M415-Y427 PolarHBondContact O-N 2.87Å; L418-Y427 PolarHBondContact O-OH 3.25Å; N419-Y427 PolarHBondContact N-OH 3.17Å; E425-Y427 HydrophobicContact CB-CD1 4.48Å; E425-Y427 HydrophobicContact CB-CE1 3.94Å; E425-Y427 HydrophobicContact CG-CD1 4.27Å; E425-Y427 HydrophobicContact CG-CE1 4.02Å; Y427-L442 PolarHBondContact O-N 3.38Å; Y427-Y443 WeakPolarHBondContact O-CD1 3.24Å; Y427-Y443 PolarHBondContact O-N 3Å; Y427-D449 PolarHBondContact OH-O 2.9Å; Y427-V450 HydrophobicContact CD1-CG2 4.38Å; Y427-V450 HydrophobicContact CD2-CB 4.31Å; Y427-V450 HydrophobicContact CD2-CG1 3.88Å; Y427-V450 HydrophobicContact CD2-CG2 4.06Å; Y427-V450 HydrophobicContact CE2-CB 4.29Å; Y427-V450 HydrophobicContact CE2-CG1 3.93Å; Y427-V450 HydrophobicContact CE2-CG2 4.44Å; Y427-V450 HydrophobicContact CG-CG2 4.02Å
428	G	92.5	Very high	88.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	166.9	179.5	0	0	0	0	0	113.3	M415 E440	M415-G428 PolarHBondContact N-O 3.25Å; G428-E440 CarbonylContact C-O 3.57Å; G428-E440 WeakPolarHBondContact CA-O 3.07Å
429	K	91.8	Very high	88.8	Confident	42 Å²	42	57.6 Å²	57.6	18%	0.183	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.3	176.4	168.3	176.6	165.5	157.3	0	109	E412 I431 E440	E412-K429 HydrophobicContact CG-CD 4.02Å; E412-K429 HydrophobicContact CG-CG 3.95Å; E412-K429 WeakPolarHBondContact OE1-CD 3.47Å; E412-K429 WeakPolarHBondContact OE1-CE 3.27Å; E412-K429 IonicContact OE1-NZ 3.88Å; E412-K429 PolarHBondContact OE1-NZ 3.43Å; E412-K429 WeakPolarHBondContact OE2-CE 3.23Å; E412-K429 IonicContact OE2-NZ 2.95Å; E412-K429 PolarHBondContact OE2-NZ 3.3Å; K429-I431 HydrophobicContact CG-CG1 4.23Å; K429-E440 HydrophobicContact CB-CB 4.22Å; K429-E440 PolarHBondContact N-O 3.42Å; K429-E440 PolarHBondContact O-N 2.93Å
430	L	93.5	Very high	89	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.2	178.4	-60.7	94.4	0	0	0	108	A154 L305 I413 M415 I432 V437 H438 F439	A154-L430 HydrophobicContact CB-CB 4.38Å; A154-L430 HydrophobicContact CB-CD2 3.92Å; A154-L430 WeakPolarHBondContact O-CD2 3.22Å; L305-L430 HydrophobicContact CD2-CD1 4.01Å; I413-L430 HydrophobicContact CB-CB 4.35Å; I413-L430 PolarHBondContact N-O 3.07Å; I413-L430 WeakPolarHBondContact O-CD1 3.43Å; I413-L430 PolarHBondContact O-N 2.88Å; M415-L430 HydrophobicContact CB-CD1 4.02Å; L430-I432 HydrophobicContact CB-CD1 3.93Å; L430-I432 WeakPolarHBondContact O-CD1 3.32Å; L430-V437 HydrophobicContact CB-CG2 4.26Å; L430-V437 HydrophobicContact CD2-CG2 4.1Å; L430-H438 WeakPolarHBondContact CA-O 3.37Å; L430-F439 HydrophobicContact CD1-CD2 4.15Å; L430-F439 HydrophobicContact CD1-CE2 4.12Å; L430-F439 HydrophobicContact CD2-CD2 3.86Å; L430-F439 HydrophobicContact CD2-CE2 4.44Å; L430-F439 HydrophobicContact CG-CD2 3.73Å; L430-F439 HydrophobicContact CG-CE2 4.21Å
431	I	90.5	Very high	89.2	Confident	58 Å²	58	59.6 Å²	59.6	30%	0.297	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.2	176.8	-54.7	173.3	0	0	0	107.4	T410 K429 H438	T410-I431 HydrophobicContact CG2-CG2 3.84Å; K429-I431 HydrophobicContact CG-CG1 4.23Å; I431-H438 HydrophobicContact CB-CB 4.49Å; I431-H438 PolarHBondContact N-O 3.35Å; I431-H438 PolarHBondContact O-N 3.24Å
432	I	89.2	Confident	89.5	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.4	-175.7	-60	68.5	0	0	0	107.5	M153 A154 T410 S411 I413 L430 V437	M153-I432 HydrophobicContact CB-CG1 4.25Å; M153-I432 HydrophobicContact CB-CG2 4.05Å; M153-I432 HydrophobicContact CG-CG2 4.45Å; A154-I432 HydrophobicContact CB-CD1 4.33Å; T410-I432 WeakPolarHBondContact CG2-O 3.49Å; S411-I432 PolarHBondContact N-O 3.06Å; S411-I432 WeakPolarHBondContact O-CD1 3.44Å; S411-I432 PolarHBondContact O-N 3.27Å; I413-I432 HydrophobicContact CB-CD1 4.13Å; I413-I432 HydrophobicContact CD1-CD1 3.69Å; I413-I432 HydrophobicContact CD1-CG1 4.33Å; I413-I432 HydrophobicContact CG1-CD1 4.05Å; L430-I432 HydrophobicContact CB-CD1 3.93Å; L430-I432 WeakPolarHBondContact O-CD1 3.32Å; I432-V437 HydrophobicContact CG1-CG2 4.42Å
433	N	81	Confident	89.7	Confident	68 Å²	68	55.7 Å²	55.7	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	98.9	170.5	-168.8	-4.2	0	0	0	109.2	Q435 S436	N433-Q435 PolarHBondContact O-N 3.04Å; N433-S436 PolarHBondContact N-O 3.08Å; N433-S436 PolarHBondContact O-N 3.14Å; N433-S436 PolarHBondContact O-OG 3.15Å
434	N	74.9	Confident	89.8	Confident	91 Å²	91	57.2 Å²	57.2	49%	0.487	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	-94.8	-178.5	-167.1	3.9	0	0	0	113.2
435	Q	80	Confident	89.8	Confident	133 Å²	133	58.8 Å²	58.8	62%	0.621	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	4.1	-179.3	-63.5	-177.8	-6	0	0	113.4	M153 N433	M153-Q435 VanDerWaalsContact CE-C 3.47Å; M153-Q435 WeakPolarHBondContact CE-O 3.37Å; N433-Q435 PolarHBondContact O-N 3.04Å
436	S	86.1	Confident	89.9	Confident	68 Å²	68	56.3 Å²	56.3	48%	0.476	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.8	176.7	66.7	0	0	0	0	110.7	N433	N433-S436 PolarHBondContact N-O 3.08Å; N433-S436 PolarHBondContact O-N 3.14Å; N433-S436 PolarHBondContact O-OG 3.15Å
437	V	91	Very high	89.9	Confident	38 Å²	38	57.1 Å²	57.1	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.8	174.1	59.8	0	0	0	0	108.5	M153 L430 I432	M153-V437 HydrophobicContact CE-CB 4.44Å; M153-V437 HydrophobicContact CE-CG1 4.35Å; L430-V437 HydrophobicContact CB-CG2 4.26Å; L430-V437 HydrophobicContact CD2-CG2 4.1Å; I432-V437 HydrophobicContact CG1-CG2 4.42Å
438	H	93.4	Very high	89.8	Confident	116 Å²	116	62.3 Å²	62.3	54%	0.537	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.9	172.2	177.8	-83.8	0	0	0	109	L430 I431	L430-H438 WeakPolarHBondContact CA-O 3.37Å; I431-H438 HydrophobicContact CB-CB 4.49Å; I431-H438 PolarHBondContact N-O 3.35Å; I431-H438 PolarHBondContact O-N 3.24Å
439	F	94.4	Very high	89.7	Confident	28 Å²	28	65 Å²	65	12%	0.123	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.3	175.5	-172.1	-80.2	0	0	0	109.6	Q161 M415 L430 Q441 Y443	Q161-F439 HydrophobicContact CB-CD1 4.32Å; Q161-F439 HydrophobicContact CB-CD2 4.13Å; Q161-F439 HydrophobicContact CB-CE2 4.34Å; Q161-F439 HydrophobicContact CB-CG 4.14Å; Q161-F439 HydrophobicContact CG-CD1 3.73Å; Q161-F439 HydrophobicContact CG-CD2 4.25Å; Q161-F439 HydrophobicContact CG-CE1 3.63Å; Q161-F439 HydrophobicContact CG-CE2 4.17Å; Q161-F439 HydrophobicContact CG-CG 4.06Å; Q161-F439 HydrophobicContact CG-CZ 3.87Å; M415-F439 HydrophobicContact CE-CE2 3.95Å; M415-F439 HydrophobicContact CE-CZ 3.61Å; M415-F439 HydrophobicContact SD-CE2 4.05Å; M415-F439 HydrophobicContact SD-CZ 4.33Å; L430-F439 HydrophobicContact CD1-CD2 4.15Å; L430-F439 HydrophobicContact CD1-CE2 4.12Å; L430-F439 HydrophobicContact CD2-CD2 3.86Å; L430-F439 HydrophobicContact CD2-CE2 4.44Å; L430-F439 HydrophobicContact CG-CD2 3.73Å; L430-F439 HydrophobicContact CG-CE2 4.21Å; F439-Q441 HydrophobicContact CD1-CB 4.41Å; F439-Q441 HydrophobicContact CE1-CB 4.08Å; F439-Y443 HydrophobicContact CE1-CE1 4.38Å
440	E	93.7	Very high	89.7	Confident	78 Å²	78	63.2 Å²	63.2	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.2	170.5	-175.8	-176.9	167.4	0	0	109.1	G428 K429 L442	G428-E440 CarbonylContact C-O 3.57Å; G428-E440 WeakPolarHBondContact CA-O 3.07Å; K429-E440 HydrophobicContact CB-CB 4.22Å; K429-E440 PolarHBondContact N-O 3.42Å; K429-E440 PolarHBondContact O-N 2.93Å; E440-L442 HydrophobicContact CG-CD2 4.35Å
441	Q	92.5	Very high	89.7	Confident	91 Å²	91	63.5 Å²	63.5	43%	0.425	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.5	178.2	176.1	179.5	-42.5	0	0	110.6	F439 Y443	F439-Q441 HydrophobicContact CD1-CB 4.41Å; F439-Q441 HydrophobicContact CE1-CB 4.08Å; Q441-Y443 HydrophobicContact CG-CD1 3.86Å; Q441-Y443 HydrophobicContact CG-CD2 3.81Å; Q441-Y443 HydrophobicContact CG-CE1 3.75Å; Q441-Y443 HydrophobicContact CG-CE2 3.7Å; Q441-Y443 HydrophobicContact CG-CG 3.89Å; Q441-Y443 VanDerWaalsContact CG-O 3.31Å; Q441-Y443 WeakPolarHBondContact CG-O 3.35Å; Q441-Y443 VanDerWaalsContact NE2-CE2 3.34Å; Q441-Y443 PolarHBondContact NE2-O 3.47Å
442	L	93.1	Very high	89.6	Confident	77 Å²	77	63.1 Å²	63.1	40%	0.403	34%	0.336	S	S	.	.			trans	-108.5	-9	176.5	-59.6	178.4	0	0	0	113.3	T426 Y427 E440	T426-L442 HydrophobicContact CG2-CD1 3.92Å; Y427-L442 PolarHBondContact O-N 3.38Å; E440-L442 HydrophobicContact CG-CD2 4.35Å
443	Y	91.8	Very high	89.5	Confident	15 Å²	15	65.1 Å²	65.1	6%	0.059	36%	0.357	C	S	.	.			trans	-87.4	156.6	170.6	60.4	-98.6	0	0	0	112.2	Q161 Y427 F439 Q441 E446 V450	Q161-Y443 PolarHBondContact NE2-OH 3.17Å; Y427-Y443 WeakPolarHBondContact O-CD1 3.24Å; Y427-Y443 PolarHBondContact O-N 3Å; F439-Y443 HydrophobicContact CE1-CE1 4.38Å; Q441-Y443 HydrophobicContact CG-CD1 3.86Å; Q441-Y443 HydrophobicContact CG-CD2 3.81Å; Q441-Y443 HydrophobicContact CG-CE1 3.75Å; Q441-Y443 HydrophobicContact CG-CE2 3.7Å; Q441-Y443 HydrophobicContact CG-CG 3.89Å; Q441-Y443 VanDerWaalsContact CG-O 3.31Å; Q441-Y443 WeakPolarHBondContact CG-O 3.35Å; Q441-Y443 VanDerWaalsContact NE2-CE2 3.34Å; Q441-Y443 PolarHBondContact NE2-O 3.47Å; Y443-E446 HydrophobicContact CD2-CB 4.19Å; Y443-E446 HydrophobicContact CE2-CB 3.63Å; Y443-E446 HydrophobicContact CE2-CG 4.01Å; Y443-V450 HydrophobicContact CD1-CG2 3.42Å; Y443-V450 VanDerWaalsContact CD1-CG2 3.42Å; Y443-V450 HydrophobicContact CD2-CG2 4.13Å; Y443-V450 HydrophobicContact CE1-CG2 3.76Å; Y443-V450 HydrophobicContact CE2-CG2 4.41Å; Y443-V450 HydrophobicContact CG-CG2 3.65Å
444	S	91.1	Very high	89.8	Confident	116 Å²	116	65.5 Å²	65.5	81%	0.811	35%	0.353	S	S	*	.	S	Bend	trans	-97.2	-44.2	178.3	-64.4	0	0	0	0	112.4	D449	S444-D449 PolarHBondContact N-OD2 2.91Å
445	D	91.5	Very high	90.5	Very high	76 Å²	76	68.6 Å²	68.6	41%	0.406	37%	0.365	S	S	.	.			trans	-127.1	112.3	177.4	-180	-13	0	0	0	109.4	V447 M448 D449	D445-V447 VanDerWaalsContact C-N 3.29Å; D445-V447 PolarHBondContact O-N 2.9Å; D445-V447 PolarHBondContact OD1-N 3.49Å; D445-M448 HydrophobicContact CB-CB 4.19Å; D445-M448 PolarHBondContact O-N 3.47Å; D445-M448 PolarHBondContact OD1-N 2.74Å; D445-M448 WeakPolarHBondContact OD2-CG 3.4Å; D445-D449 PolarHBondContact N-OD2 3.26Å; D445-D449 WeakPolarHBondContact O-CB 3.47Å; D445-D449 PolarHBondContact O-N 2.78Å
446	E	92.1	Very high	91.1	Very high	35 Å²	35	65.2 Å²	65.2	16%	0.164	35%	0.347	C	S	.	.	I	π-helix	trans	-57.1	-40.6	-178.8	-167.4	-169.4	132.6	0	0	113.5	F162 Y443 V450 W451 R456	F162-E446 HydrophobicContact CE1-CG 3.97Å; Y443-E446 HydrophobicContact CD2-CB 4.19Å; Y443-E446 HydrophobicContact CE2-CB 3.63Å; Y443-E446 HydrophobicContact CE2-CG 4.01Å; E446-V450 HydrophobicContact CG-CB 4.23Å; E446-V450 HydrophobicContact CG-CG2 4.27Å; E446-V450 WeakPolarHBondContact O-CB 3.34Å; E446-V450 PolarHBondContact O-N 3.37Å; E446-V450 VanDerWaalsContact O-N 3.1Å; E446-W451 VanDerWaalsContact O-CD1 3.28Å; E446-W451 PolarHBondContact O-N 2.67Å; E446-W451 VanDerWaalsContact O-N 3.1Å; E446-W451 PolarHBondContact OE1-NE1 2.51Å; E446-R456 IonicContact OE1-CZ 3.96Å; E446-R456 VanDerWaalsContact OE1-CZ 3.27Å; E446-R456 IonicContact OE1-NE 2.8Å; E446-R456 PolarHBondContact OE1-NE 2.98Å; E446-R456 IonicContact OE1-NH2 3.67Å; E446-R456 PolarHBondContact OE1-NH2 3.25Å; E446-R456 IonicContact OE2-CZ 3.6Å; E446-R456 IonicContact OE2-NE 3.67Å; E446-R456 IonicContact OE2-NH2 2.72Å; E446-R456 PolarHBondContact OE2-NH2 2.88Å
447	V	91.7	Very high	91.5	Very high	63 Å²	63	62.3 Å²	62.3	38%	0.382	33%	0.326	S	S	.	.	I	π-helix	trans	-66.8	-43.9	-176.1	174.3	0	0	0	0	109.6	D445 W451 N452 G453	D445-V447 VanDerWaalsContact C-N 3.29Å; D445-V447 PolarHBondContact O-N 2.9Å; D445-V447 PolarHBondContact OD1-N 3.49Å; V447-W451 CarbonylContact O-C 3.53Å; V447-N452 PolarHBondContact O-N 3.08Å; V447-G453 WeakPolarHBondContact O-CA 3.34Å; V447-G453 PolarHBondContact O-N 3.26Å
448	M	91.2	Very high	91.5	Very high	112 Å²	112	66.2 Å²	66.2	55%	0.552	34%	0.34	S	S	*	.	I	π-helix	trans	-81.6	-44.5	-176.5	-64.7	-58.2	-65.7	0	0	112.6	D445 N452	D445-M448 HydrophobicContact CB-CB 4.19Å; D445-M448 PolarHBondContact O-N 3.47Å; D445-M448 PolarHBondContact OD1-N 2.74Å; D445-M448 WeakPolarHBondContact OD2-CG 3.4Å; M448-N452 WeakPolarHBondContact O-CA 3.2Å; M448-N452 PolarHBondContact O-N 2.76Å
449	D	90.4	Very high	91.4	Very high	55 Å²	55	61.3 Å²	61.3	29%	0.294	32%	0.32	S	S	.	.	I	π-helix	trans	-84.8	-45.7	-170.5	-57.7	-23	0	0	0	111.9	Y427 S444 D445	Y427-D449 PolarHBondContact OH-O 2.9Å; S444-D449 PolarHBondContact N-OD2 2.91Å; D445-D449 PolarHBondContact N-OD2 3.26Å; D445-D449 WeakPolarHBondContact O-CB 3.47Å; D445-D449 PolarHBondContact O-N 2.78Å
450	V	91.5	Very high	91.2	Very high	6 Å²	6	64.6 Å²	64.6	4%	0.036	33%	0.334	C	S	.	.	I	π-helix	trans	-88.5	-44.6	-176	-178.2	0	0	0	0	111.1	F162 Y427 Y443 E446	F162-V450 HydrophobicContact CE1-CG1 4.29Å; F162-V450 HydrophobicContact CZ-CG1 4.07Å; Y427-V450 HydrophobicContact CD1-CG2 4.38Å; Y427-V450 HydrophobicContact CD2-CB 4.31Å; Y427-V450 HydrophobicContact CD2-CG1 3.88Å; Y427-V450 HydrophobicContact CD2-CG2 4.06Å; Y427-V450 HydrophobicContact CE2-CB 4.29Å; Y427-V450 HydrophobicContact CE2-CG1 3.93Å; Y427-V450 HydrophobicContact CE2-CG2 4.44Å; Y427-V450 HydrophobicContact CG-CG2 4.02Å; Y443-V450 HydrophobicContact CD1-CG2 3.42Å; Y443-V450 VanDerWaalsContact CD1-CG2 3.42Å; Y443-V450 HydrophobicContact CD2-CG2 4.13Å; Y443-V450 HydrophobicContact CE1-CG2 3.76Å; Y443-V450 HydrophobicContact CE2-CG2 4.41Å; Y443-V450 HydrophobicContact CG-CG2 3.65Å; E446-V450 HydrophobicContact CG-CB 4.23Å; E446-V450 HydrophobicContact CG-CG2 4.27Å; E446-V450 WeakPolarHBondContact O-CB 3.34Å; E446-V450 PolarHBondContact O-N 3.37Å; E446-V450 VanDerWaalsContact O-N 3.1Å
451	W	92.3	Very high	91	Very high	5 Å²	5	61.4 Å²	61.4	2%	0.019	32%	0.32	C	S	.	.	S	Bend	trans	-100	1.6	-172.7	-56.5	118.9	0	0	0	114.6	F162 W164 V256 L303 E446 V447 G453 R454 R456 P457	F162-W451 AromaticContact CD1-CZ2 3.99Å; F162-W451 HydrophobicContact CD1-CZ2 3.99Å; F162-W451 AromaticContact CE1-CZ2 3.98Å; F162-W451 HydrophobicContact CE1-CZ2 3.98Å; F162-W451 HydrophobicContact CG-CZ2 4.36Å; F162-W451 HydrophobicContact CZ-CZ2 4.35Å; W164-W451 AromaticContact CH2-CH2 3.66Å; W164-W451 HydrophobicContact CH2-CH2 3.66Å; W164-W451 AromaticContact CH2-CZ2 3.91Å; W164-W451 HydrophobicContact CH2-CZ2 3.91Å; W164-W451 AromaticContact CZ2-CH2 3.65Å; W164-W451 HydrophobicContact CZ2-CH2 3.65Å; W164-W451 AromaticContact CZ2-CZ2 3.69Å; W164-W451 HydrophobicContact CZ2-CZ2 3.69Å; V256-W451 HydrophobicContact CG1-CH2 4.33Å; V256-W451 HydrophobicContact CG2-CH2 3.66Å; V256-W451 HydrophobicContact CG2-CZ3 3.67Å; L303-W451 HydrophobicContact CD1-CH2 4.41Å; E446-W451 VanDerWaalsContact O-CD1 3.28Å; E446-W451 PolarHBondContact O-N 2.67Å; E446-W451 VanDerWaalsContact O-N 3.1Å; E446-W451 PolarHBondContact OE1-NE1 2.51Å; V447-W451 CarbonylContact O-C 3.53Å; W451-G453 VanDerWaalsContact C-N 3.34Å; W451-G453 PolarHBondContact O-N 3.18Å; W451-R454 HydrophobicContact CB-CB 4.4Å; W451-R454 WeakPolarHBondContact CB-O 3.47Å; W451-R454 WeakPolarHBondContact O-CB 3.31Å; W451-R454 PolarHBondContact O-N 3.12Å; W451-R454 VanDerWaalsContact O-N 3.15Å; W451-R454 PolarHBondContact O-NE 2.73Å; W451-R454 VanDerWaalsContact O-NE 3.1Å; W451-R456 HydrophobicContact CZ2-CG 3.88Å; W451-P457 HydrophobicContact CE3-CG 4.38Å; W451-P457 HydrophobicContact CZ3-CG 4.2Å
452	N	88.6	Confident	90.7	Very high	51 Å²	51	61.3 Å²	61.3	27%	0.273	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	46	178	-63.2	-42.7	0	0	0	112.8	L418 N419 S420 V447 M448 R454	L418-N452 PolarHBondContact O-ND2 2.9Å; L418-N452 VanDerWaalsContact O-ND2 3.15Å; N419-N452 VanDerWaalsContact C-OD1 3.3Å; S420-N452 WeakPolarHBondContact CA-OD1 3.34Å; S420-N452 PolarHBondContact N-OD1 3.08Å; V447-N452 PolarHBondContact O-N 3.08Å; M448-N452 WeakPolarHBondContact O-CA 3.2Å; M448-N452 PolarHBondContact O-N 2.76Å; N452-R454 VanDerWaalsContact C-N 3.31Å; N452-R454 PolarHBondContact O-N 3.11Å
453	G	86.9	Confident	90.4	Very high	46 Å²	46	59.3 Å²	59.3	47%	0.474	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-0.9	-179.5	0	0	0	0	0	115.1	V447 W451	V447-G453 WeakPolarHBondContact O-CA 3.34Å; V447-G453 PolarHBondContact O-N 3.26Å; W451-G453 VanDerWaalsContact C-N 3.34Å; W451-G453 PolarHBondContact O-N 3.18Å
454	R	88.3	Confident	90.2	Very high	76 Å²	76	58.9 Å²	58.9	29%	0.287	32%	0.318	S	S	.	.	S	Bend	trans	-89.5	160	175.5	-59.1	175.2	-68.2	167.5	2.2	110.3	N301 W451 N452	N301-R454 VanDerWaalsContact OD1-CZ 3.28Å; N301-R454 PolarHBondContact OD1-NH1 2.98Å; N301-R454 PolarHBondContact OD1-NH2 3.34Å; W451-R454 HydrophobicContact CB-CB 4.4Å; W451-R454 WeakPolarHBondContact CB-O 3.47Å; W451-R454 WeakPolarHBondContact O-CB 3.31Å; W451-R454 PolarHBondContact O-N 3.12Å; W451-R454 VanDerWaalsContact O-N 3.15Å; W451-R454 PolarHBondContact O-NE 2.73Å; W451-R454 VanDerWaalsContact O-NE 3.1Å; N452-R454 VanDerWaalsContact C-N 3.31Å; N452-R454 PolarHBondContact O-N 3.11Å
455	Q	88.6	Confident	90	Very high	156 Å²	156	55.9 Å²	55.9	73%	0.729	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-73.6	147.4	170	-68.1	-175.2	5.9	0	0	110.6
456	R	93.1	Very high	89.6	Confident	62 Å²	62	57 Å²	57	23%	0.234	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-48.5	128.4	169.3	-175	-166.5	-65.9	170.4	0.1	109.8	F162 W164 E446 W451	F162-R456 WeakPolarHBondContact O-CD 3.29Å; F162-R456 PolarHBondContact O-NE 3.15Å; F162-R456 PolarHBondContact O-NH1 2.95Å; W164-R456 HydrophobicContact CZ2-CG 4.08Å; E446-R456 IonicContact OE1-CZ 3.96Å; E446-R456 VanDerWaalsContact OE1-CZ 3.27Å; E446-R456 IonicContact OE1-NE 2.8Å; E446-R456 PolarHBondContact OE1-NE 2.98Å; E446-R456 IonicContact OE1-NH2 3.67Å; E446-R456 PolarHBondContact OE1-NH2 3.25Å; E446-R456 IonicContact OE2-CZ 3.6Å; E446-R456 IonicContact OE2-NE 3.67Å; E446-R456 IonicContact OE2-NH2 2.72Å; E446-R456 PolarHBondContact OE2-NH2 2.88Å; W451-R456 HydrophobicContact CZ2-CG 3.88Å
457	P	93.6	Very high	89.1	Confident	7 Å²	7	57.3 Å²	57.3	5%	0.045	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-60.7	141.1	176	-28.5	40.7	0	0	0	111.4	W164 I226 S253 V256 W451	W164-P457 PolarHBondContact NE1-O 2.92Å; I226-P457 HydrophobicContact CD1-CB 4.49Å; S253-P457 WeakPolarHBondContact O-CG 3.33Å; V256-P457 HydrophobicContact CG2-CB 3.75Å; V256-P457 HydrophobicContact CG2-CG 3.42Å; V256-P457 VanDerWaalsContact CG2-CG 3.42Å; W451-P457 HydrophobicContact CE3-CG 4.38Å; W451-P457 HydrophobicContact CZ3-CG 4.2Å
458	K	92.3	Very high	88.7	Confident	120 Å²	120	59.8 Å²	59.8	52%	0.522	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-86	142	-179.3	-63.9	-178.3	-179.9	179.5	0	110.3	R225 K460 T462	R225-K458 WeakPolarHBondContact CB-O 3.3Å; K458-K460 VanDerWaalsContact CB-O 3.29Å; K458-K460 WeakPolarHBondContact CB-O 3.39Å; K458-K460 PolarHBondContact O-N 2.89Å; K458-T462 HydrophobicContact CD-CG2 4.49Å
459	A	91.7	Very high	88	Confident	13 Å²	13	59.5 Å²	59.5	11%	0.107	33%	0.325	C	S	.	.	S	Bend	trans	-57.4	-38.3	174.2	0	0	0	0	0	112.2	W164 E166 I226	W164-A459 HydrophobicContact CB-CB 4.5Å; E166-A459 HydrophobicContact CB-CB 4.31Å; I226-A459 HydrophobicContact CG1-CB 4.44Å
460	K	90.1	Very high	87.5	Confident	96 Å²	96	60 Å²	60	42%	0.417	33%	0.332	S	S	.	.	S	Bend	trans	-117.6	131.8	173.9	-173.2	177.5	176.3	-177.2	0	110.7	K458 F465	K458-K460 VanDerWaalsContact CB-O 3.29Å; K458-K460 WeakPolarHBondContact CB-O 3.39Å; K458-K460 PolarHBondContact O-N 2.89Å; K460-F465 HydrophobicContact CG-CD2 4.5Å; K460-F465 HydrophobicContact CG-CE2 4.07Å; K460-F465 HydrophobicContact CG-CZ 4.43Å
461	P	88.5	Confident	86.6	Confident	12 Å²	12	64.3 Å²	64.3	8%	0.078	36%	0.361	C	S	.	.			trans	-65	155.6	177.1	27.8	-35.3	0	0	0	111.4	C463 G464 F465	P461-C463 VanDerWaalsContact C-N 3.25Å; P461-C463 PolarHBondContact O-N 3.43Å; P461-G464 WeakPolarHBondContact CG-O 3.43Å; P461-G464 PolarHBondContact O-N 2.88Å; P461-F465 HydrophobicContact CG-CD1 4.05Å; P461-F465 HydrophobicContact CG-CE1 4.31Å
462	T	86.1	Confident	85.2	Confident	88 Å²	88	68.4 Å²	68.4	54%	0.54	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.8	-174.5	48.5	0	0	0	0	113.7	K458	K458-T462 HydrophobicContact CD-CG2 4.49Å
463	C	87.7	Confident	84.1	Confident	35 Å²	35	71.3 Å²	71.3	24%	0.236	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	12.9	177	-71.2	0	0	0	0	114.3	P461 G467 T468 Q469 C470	P461-C463 VanDerWaalsContact C-N 3.25Å; P461-C463 PolarHBondContact O-N 3.43Å; C463-G467 CarbonylContact O-C 3.52Å; C463-G467 VanDerWaalsContact O-C 3.25Å; C463-G467 VanDerWaalsContact O-CA 3.27Å; C463-G467 WeakPolarHBondContact O-CA 3.35Å; C463-G467 PolarHBondContact O-N 3.33Å; C463-T468 PolarHBondContact O-N 3.15Å; C463-Q469 CarbonylContact O-C 3.53Å; C463-Q469 WeakPolarHBondContact O-CA 3.34Å; C463-Q469 PolarHBondContact O-N 2.63Å; C463-C470 HydrophobicContact CB-CB 4Å; C463-C470 WeakPolarHBondContact CB-SG 3.31Å; C463-C470 WeakPolarHBondContact SG-CA 3.39Å; C463-C470 WeakPolarHBondContact SG-CB 3.45Å; C463-C470 CovalentContact SG-SG 2.03Å; C463-C470 PolarHBondContact SG-SG 3.1Å
464	G	86.1	Confident	82.8	Confident	6 Å²	6	76.7 Å²	76.7	6%	0.062	41%	0.414	C	S	.	.			trans	66.3	169.2	-170.8	0	0	0	0	0	113.2	P461 T466 G467	P461-G464 WeakPolarHBondContact CG-O 3.43Å; P461-G464 PolarHBondContact O-N 2.88Å; G464-T466 PolarHBondContact O-N 3.32Å; G464-G467 PolarHBondContact O-N 2.92Å; G464-G467 VanDerWaalsContact O-N 3.11Å
465	F	86.9	Confident	81.4	Confident	53 Å²	53	78.2 Å²	78.2	23%	0.232	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27	-174.9	-65	-70.4	0	0	0	113.8	K222 R223 R225 K460 P461	K222-F465 WeakPolarHBondContact O-CB 3.21Å; R223-F465 VanDerWaalsContact C-CE1 3.49Å; R223-F465 WeakPolarHBondContact O-CE1 3.26Å; R223-F465 VanDerWaalsContact O-CZ 3.31Å; R223-F465 WeakPolarHBondContact O-CZ 3.42Å; R225-F465 HydrophobicContact CG-CE1 4.46Å; K460-F465 HydrophobicContact CG-CD2 4.5Å; K460-F465 HydrophobicContact CG-CE2 4.07Å; K460-F465 HydrophobicContact CG-CZ 4.43Å; P461-F465 HydrophobicContact CG-CD1 4.05Å; P461-F465 HydrophobicContact CG-CE1 4.31Å
466	T	84.4	Confident	80.3	Confident	100 Å²	100	80.3 Å²	80.3	61%	0.613	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.7	176.8	53.2	0	0	0	0	113.5	G464 T468	G464-T466 PolarHBondContact O-N 3.32Å; T466-T468 PolarHBondContact O-N 3Å; T466-T468 PolarHBondContact OG1-OG1 3.41Å
467	G	82.1	Confident	78.8	Confident	42 Å²	42	82.4 Å²	82.4	43%	0.433	45%	0.448	S	S	.	.	S	Bend	trans	71.3	-0	-172.5	0	0	0	0	0	114.8	C463 G464 C470	C463-G467 CarbonylContact O-C 3.52Å; C463-G467 VanDerWaalsContact O-C 3.25Å; C463-G467 VanDerWaalsContact O-CA 3.27Å; C463-G467 WeakPolarHBondContact O-CA 3.35Å; C463-G467 PolarHBondContact O-N 3.33Å; G464-G467 PolarHBondContact O-N 2.92Å; G464-G467 VanDerWaalsContact O-N 3.11Å; G467-C470 PolarHBondContact O-SG 2.85Å
468	T	81.5	Confident	77.5	Confident	115 Å²	115	86.9 Å²	86.9	71%	0.706	47%	0.465	S	S	*	.			trans	-92.5	-7.2	-175.9	58.8	0	0	0	0	113.9	C463 T466	C463-T468 PolarHBondContact O-N 3.15Å; T466-T468 PolarHBondContact O-N 3Å; T466-T468 PolarHBondContact OG1-OG1 3.41Å
469	Q	78.3	Confident	76.3	Confident	106 Å²	106	86 Å²	86	50%	0.495	47%	0.465	S	S	.	.			trans	-103.3	28.5	-177.1	-57.6	176.9	12.6	0	0	111.3	C463	C463-Q469 CarbonylContact O-C 3.53Å; C463-Q469 WeakPolarHBondContact O-CA 3.34Å; C463-Q469 PolarHBondContact O-N 2.63Å
470	C	78.8	Confident	75.2	Confident	64 Å²	64	90.3 Å²	90.3	43%	0.432	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-60.6	137.2	173.4	-62.3	0	0	0	0	109.4	C463 G467	C463-C470 HydrophobicContact CB-CB 4Å; C463-C470 WeakPolarHBondContact CB-SG 3.31Å; C463-C470 WeakPolarHBondContact SG-CA 3.39Å; C463-C470 WeakPolarHBondContact SG-CB 3.45Å; C463-C470 CovalentContact SG-SG 2.03Å; C463-C470 PolarHBondContact SG-SG 3.1Å; G467-C470 PolarHBondContact O-SG 2.85Å
471	P	72.6	Confident	74.1	Confident	98 Å²	98	89.7 Å²	89.7	64%	0.636	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-55.4	133.5	166.2	23.1	-30.4	0	0	0	108.6	D473	P471-D473 PolarHBondContact O-N 3.14Å
472	P	63.3	Low	73.1	Confident	90 Å²	90	92.9 Å²	92.9	58%	0.584	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-61.1	135.8	-172	22.1	-32.2	0	0	0	111.5	F474	P472-F474 PolarHBondContact O-N 3.05Å
473	D	64.6	Low	72.7	Confident	113 Å²	113	93.5 Å²	93.5	60%	0.604	51%	0.508	S	S	*	.			trans	-77.6	103.9	177.7	-165.1	-2.2	0	0	0	108.8	P471 V475 R476	P471-D473 PolarHBondContact O-N 3.14Å; D473-V475 PolarHBondContact O-N 3.2Å; D473-R476 PolarHBondContact O-N 3.33Å; D473-R476 VanDerWaalsContact O-N 3.1Å
474	F	59.9	Low	72.3	Confident	159 Å²	159	96.7 Å²	96.7	70%	0.697	52%	0.522	S	S	*	.	H	α-helix	trans	-50.5	-30.3	-166.1	-177.3	-96	0	0	0	114.2	P472 Y478	P472-F474 PolarHBondContact O-N 3.05Å; F474-Y478 WeakPolarHBondContact O-CD2 3.34Å
475	V	59.7	Low	72	Confident	107 Å²	107	100.7 Å²	100.7	65%	0.648	54%	0.541	S	S	*	.	H	α-helix	trans	-84.3	-33.3	-174.7	-176.5	0	0	0	0	112.9	D473	D473-V475 PolarHBondContact O-N 3.2Å
476	R	64	Low	71.6	Confident	201 Å²	201	102 Å²	102	76%	0.758	55%	0.553	S	S	*	*	H	α-helix	trans	-83.3	-39.6	-171.3	-177.7	176	147.3	-170.8	-7.3	112.8	D473	D473-R476 PolarHBondContact O-N 3.33Å; D473-R476 VanDerWaalsContact O-N 3.1Å
477	D	62.9	Low	71.5	Confident	106 Å²	106	103.5 Å²	103.5	57%	0.567	56%	0.555	S	S	*	*	H	α-helix	trans	-82.6	-18.5	-176.2	-69.4	-19.2	0	0	0	113
478	Y	65.9	Low	71.6	Confident	101 Å²	101	108.2 Å²	108.2	40%	0.396	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.6	8.8	-176.1	-64.9	-89.8	0	0	0	114	F474 V480 I481 V482	F474-Y478 WeakPolarHBondContact O-CD2 3.34Å; Y478-V480 VanDerWaalsContact C-N 3.31Å; Y478-V480 PolarHBondContact O-N 2.8Å; Y478-I481 HydrophobicContact CD1-CB 4.3Å; Y478-I481 HydrophobicContact CD1-CD1 3.39Å; Y478-I481 HydrophobicContact CD1-CG1 4.4Å; Y478-I481 HydrophobicContact CD1-CG2 4.45Å; Y478-I481 HydrophobicContact CE1-CD1 3.87Å; Y478-I481 HydrophobicContact CG-CD1 4.4Å; Y478-I481 CarbonylContact O-C 3.58Å; Y478-I481 WeakPolarHBondContact O-CA 3.34Å; Y478-I481 WeakPolarHBondContact O-CB 3.3Å; Y478-I481 PolarHBondContact O-N 2.81Å; Y478-V482 WeakPolarHBondContact O-CG2 3.27Å; Y478-V482 PolarHBondContact O-N 3.38Å
479	L	66.3	Low	71.5	Confident	101 Å²	101	107.6 Å²	107.6	53%	0.529	56%	0.556	S	S	.	*	H	α-helix	trans	-58.3	-39.9	-176.7	-169.6	148.3	0	0	0	113.1	I481 V482 I483	L479-I481 VanDerWaalsContact C-N 3.34Å; L479-V482 PolarHBondContact O-N 3.32Å; L479-I483 HydrophobicContact CD2-CD1 3.73Å; L479-I483 HydrophobicContact CD2-CG1 4.44Å; L479-I483 WeakPolarHBondContact O-CG1 3.43Å; L479-I483 PolarHBondContact O-N 3.31Å
480	V	68.8	Low	71.7	Confident	103 Å²	103	108.2 Å²	108.2	62%	0.624	56%	0.561	S	S	*	*	H	α-helix	trans	-65.1	-39.5	173.8	177.8	0	0	0	0	111	Y478 V482 I483 I484	Y478-V480 VanDerWaalsContact C-N 3.31Å; Y478-V480 PolarHBondContact O-N 2.8Å; V480-V482 VanDerWaalsContact C-N 3.34Å; V480-I483 PolarHBondContact O-N 2.97Å; V480-I484 HydrophobicContact CG1-CD1 3.94Å; V480-I484 VanDerWaalsContact O-CG1 3.27Å; V480-I484 WeakPolarHBondContact O-CG1 3.47Å; V480-I484 PolarHBondContact O-N 2.94Å
481	I	67.7	Low	71.9	Confident	84 Å²	84	111.9 Å²	111.9	43%	0.431	57%	0.57	S	S	.	*	H	α-helix	trans	-65.9	-38.3	177	-68.5	166.7	0	0	0	110.4	Y478 L479 I484 I485	Y478-I481 HydrophobicContact CD1-CB 4.3Å; Y478-I481 HydrophobicContact CD1-CD1 3.39Å; Y478-I481 HydrophobicContact CD1-CG1 4.4Å; Y478-I481 HydrophobicContact CD1-CG2 4.45Å; Y478-I481 HydrophobicContact CE1-CD1 3.87Å; Y478-I481 HydrophobicContact CG-CD1 4.4Å; Y478-I481 CarbonylContact O-C 3.58Å; Y478-I481 WeakPolarHBondContact O-CA 3.34Å; Y478-I481 WeakPolarHBondContact O-CB 3.3Å; Y478-I481 PolarHBondContact O-N 2.81Å; L479-I481 VanDerWaalsContact C-N 3.34Å; I481-I484 PolarHBondContact O-N 2.85Å; I481-I485 HydrophobicContact CG2-CD1 3.91Å; I481-I485 HydrophobicContact CG2-CG1 4.5Å; I481-I485 VanDerWaalsContact O-CG1 3.24Å; I481-I485 WeakPolarHBondContact O-CG1 3.35Å; I481-I485 PolarHBondContact O-N 2.79Å
482	V	66.9	Low	72.3	Confident	79 Å²	79	109.2 Å²	109.2	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-44.1	175	175	0	0	0	0	111.4	Y478 L479 V480 I484 I485 V486	Y478-V482 WeakPolarHBondContact O-CG2 3.27Å; Y478-V482 PolarHBondContact O-N 3.38Å; L479-V482 PolarHBondContact O-N 3.32Å; V480-V482 VanDerWaalsContact C-N 3.34Å; V482-I484 VanDerWaalsContact C-N 3.34Å; V482-I484 PolarHBondContact O-N 2.85Å; V482-I485 PolarHBondContact O-N 3.08Å; V482-V486 WeakPolarHBondContact O-CG2 3.34Å; V482-V486 PolarHBondContact O-N 3.46Å; V482-V486 VanDerWaalsContact O-N 3.08Å
483	I	78.3	Confident	73.2	Confident	100 Å²	100	109.8 Å²	109.8	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-62.7	-41.4	175.9	-66.9	172.8	0	0	0	111.1	L479 V480 I485 V486 M487	L479-I483 HydrophobicContact CD2-CD1 3.73Å; L479-I483 HydrophobicContact CD2-CG1 4.44Å; L479-I483 WeakPolarHBondContact O-CG1 3.43Å; L479-I483 PolarHBondContact O-N 3.31Å; V480-I483 PolarHBondContact O-N 2.97Å; I483-I485 PolarHBondContact O-N 3.08Å; I483-V486 PolarHBondContact O-N 3.32Å; I483-M487 PolarHBondContact O-N 3.45Å; I483-M487 VanDerWaalsContact O-N 3.08Å
484	I	79.3	Confident	73.9	Confident	103 Å²	103	108 Å²	108	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-41.7	176.4	-69.3	167.7	0	0	0	111	V480 I481 V482 V486 M487 F488	V480-I484 HydrophobicContact CG1-CD1 3.94Å; V480-I484 VanDerWaalsContact O-CG1 3.27Å; V480-I484 WeakPolarHBondContact O-CG1 3.47Å; V480-I484 PolarHBondContact O-N 2.94Å; I481-I484 PolarHBondContact O-N 2.85Å; V482-I484 VanDerWaalsContact C-N 3.34Å; V482-I484 PolarHBondContact O-N 2.85Å; I484-V486 VanDerWaalsContact C-N 3.34Å; I484-V486 PolarHBondContact O-N 3.08Å; I484-M487 PolarHBondContact O-N 2.91Å; I484-F488 WeakPolarHBondContact O-CB 3.16Å; I484-F488 PolarHBondContact O-N 3.26Å
485	I	78.9	Confident	74.8	Confident	90 Å²	90	102.9 Å²	102.9	46%	0.462	54%	0.541	S	S	.	.	H	α-helix	trans	-61.9	-41.2	176.9	-70.8	164.9	0	0	0	111.2	I481 V482 I483 F488 L489	I481-I485 HydrophobicContact CG2-CD1 3.91Å; I481-I485 HydrophobicContact CG2-CG1 4.5Å; I481-I485 VanDerWaalsContact O-CG1 3.24Å; I481-I485 WeakPolarHBondContact O-CG1 3.35Å; I481-I485 PolarHBondContact O-N 2.79Å; V482-I485 PolarHBondContact O-N 3.08Å; I483-I485 PolarHBondContact O-N 3.08Å; I485-F488 WeakPolarHBondContact O-CB 3.49Å; I485-F488 PolarHBondContact O-N 3.31Å; I485-L489 HydrophobicContact CG2-CD1 4.2Å; I485-L489 WeakPolarHBondContact O-CG 3.39Å; I485-L489 PolarHBondContact O-N 3.45Å
486	V	79.7	Confident	75.7	Confident	80 Å²	80	100.4 Å²	100.4	49%	0.485	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-43.7	178.4	174.6	0	0	0	0	111.7	V482 I483 I484 F488 L489 I490	V482-V486 WeakPolarHBondContact O-CG2 3.34Å; V482-V486 PolarHBondContact O-N 3.46Å; V482-V486 VanDerWaalsContact O-N 3.08Å; I483-V486 PolarHBondContact O-N 3.32Å; I484-V486 VanDerWaalsContact C-N 3.34Å; I484-V486 PolarHBondContact O-N 3.08Å; V486-F488 VanDerWaalsContact C-N 3.31Å; V486-F488 PolarHBondContact O-N 3.38Å; V486-L489 PolarHBondContact O-N 2.89Å; V486-I490 PolarHBondContact O-N 3.07Å
487	M	82.8	Confident	76.5	Confident	132 Å²	132	95.9 Å²	95.9	65%	0.65	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-38.5	174.4	-75.2	-72.2	-70	0	0	111.9	I483 I484 I490 F491	I483-M487 PolarHBondContact O-N 3.45Å; I483-M487 VanDerWaalsContact O-N 3.08Å; I484-M487 PolarHBondContact O-N 2.91Å; M487-I490 PolarHBondContact O-N 3.34Å; M487-F491 PolarHBondContact O-N 2.97Å
488	F	82.9	Confident	77.3	Confident	140 Å²	140	93 Å²	93	61%	0.614	52%	0.523	S	S	*	.	H	α-helix	trans	-64.3	-39	175.5	-174.3	-96.6	0	0	0	112.1	I484 I485 V486 F491 A492	I484-F488 WeakPolarHBondContact O-CB 3.16Å; I484-F488 PolarHBondContact O-N 3.26Å; I485-F488 WeakPolarHBondContact O-CB 3.49Å; I485-F488 PolarHBondContact O-N 3.31Å; V486-F488 VanDerWaalsContact C-N 3.31Å; V486-F488 PolarHBondContact O-N 3.38Å; F488-F491 PolarHBondContact O-N 3Å; F488-A492 WeakPolarHBondContact O-CB 3.4Å; F488-A492 PolarHBondContact O-N 3.27Å
489	L	80.5	Confident	77.7	Confident	103 Å²	103	90.9 Å²	90.9	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-40.9	176.7	-77.4	167.2	0	0	0	112.6	I485 V486 A492 V493	I485-L489 HydrophobicContact CG2-CD1 4.2Å; I485-L489 WeakPolarHBondContact O-CG 3.39Å; I485-L489 PolarHBondContact O-N 3.45Å; V486-L489 PolarHBondContact O-N 2.89Å; L489-A492 PolarHBondContact O-N 2.94Å; L489-V493 WeakPolarHBondContact O-CG2 3.16Å; L489-V493 PolarHBondContact O-N 3.47Å; L489-V493 VanDerWaalsContact O-N 3.14Å
490	I	82.4	Confident	78.4	Confident	118 Å²	118	90.7 Å²	90.7	61%	0.605	53%	0.529	S	S	*	.	H	α-helix	trans	-64.6	-41.8	177	-65.2	173.9	0	0	0	110.9	V486 M487 V493 S494	V486-I490 PolarHBondContact O-N 3.07Å; M487-I490 PolarHBondContact O-N 3.34Å; I490-V493 PolarHBondContact O-N 3.47Å; I490-S494 PolarHBondContact O-N 3.01Å
491	F	82.3	Confident	78.7	Confident	141 Å²	141	93.3 Å²	93.3	62%	0.618	53%	0.532	S	S	*	.	H	α-helix	trans	-65.6	-38.8	175.3	-177	-100.2	0	0	0	112.2	M487 F488 V493 S494 A495	M487-F491 PolarHBondContact O-N 2.97Å; F488-F491 PolarHBondContact O-N 3Å; F491-V493 VanDerWaalsContact C-N 3.33Å; F491-V493 PolarHBondContact O-N 3.38Å; F491-S494 PolarHBondContact O-N 2.76Å; F491-S494 PolarHBondContact O-OG 3.34Å; F491-S494 VanDerWaalsContact O-OG 3.07Å; F491-A495 WeakPolarHBondContact O-CB 3.35Å; F491-A495 PolarHBondContact O-N 3.46Å; F491-A495 VanDerWaalsContact O-N 3.12Å
492	A	81.4	Confident	79.2	Confident	42 Å²	42	97 Å²	97	35%	0.347	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-37.9	177.2	0	0	0	0	0	112.7	F488 L489 A496	F488-A492 WeakPolarHBondContact O-CB 3.4Å; F488-A492 PolarHBondContact O-N 3.27Å; L489-A492 PolarHBondContact O-N 2.94Å; A492-A496 PolarHBondContact O-N 2.92Å
493	V	81.6	Confident	79.6	Confident	102 Å²	102	95.4 Å²	95.4	62%	0.618	54%	0.536	S	S	*	.	H	α-helix	trans	-67.5	-43	178.9	173.8	0	0	0	0	112	L489 I490 F491 A496 V497	L489-V493 WeakPolarHBondContact O-CG2 3.16Å; L489-V493 PolarHBondContact O-N 3.47Å; L489-V493 VanDerWaalsContact O-N 3.14Å; I490-V493 PolarHBondContact O-N 3.47Å; F491-V493 VanDerWaalsContact C-N 3.33Å; F491-V493 PolarHBondContact O-N 3.38Å; V493-A496 PolarHBondContact O-N 3.13Å; V493-V497 PolarHBondContact O-N 3.02Å
494	S	79.1	Confident	79.5	Confident	76 Å²	76	96.2 Å²	96.2	53%	0.531	54%	0.54	S	S	.	.	H	α-helix	trans	-67.7	-36.5	178	65.2	0	0	0	0	112.2	I490 F491 V497 G498	I490-S494 PolarHBondContact O-N 3.01Å; F491-S494 PolarHBondContact O-N 2.76Å; F491-S494 PolarHBondContact O-OG 3.34Å; F491-S494 VanDerWaalsContact O-OG 3.07Å; S494-V497 PolarHBondContact O-N 3.04Å; S494-G498 PolarHBondContact O-N 2.98Å
495	A	78.8	Confident	79.5	Confident	51 Å²	51	100.9 Å²	100.9	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-63.5	-38.3	172.4	0	0	0	0	0	112.7	F491 V497 G498 A499	F491-A495 WeakPolarHBondContact O-CB 3.35Å; F491-A495 PolarHBondContact O-N 3.46Å; F491-A495 VanDerWaalsContact O-N 3.12Å; A495-V497 PolarHBondContact O-N 2.81Å; A495-G498 PolarHBondContact O-N 2.78Å; A495-A499 WeakPolarHBondContact O-CB 3.05Å; A495-A499 PolarHBondContact O-N 3.37Å
496	A	79.8	Confident	79.3	Confident	55 Å²	55	101.3 Å²	101.3	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-61.7	-40.6	178.5	0	0	0	0	0	112.7	A492 V493 A499 V500	A492-A496 PolarHBondContact O-N 2.92Å; V493-A496 PolarHBondContact O-N 3.13Å; A496-A499 WeakPolarHBondContact O-CB 3.12Å; A496-A499 PolarHBondContact O-N 3.06Å; A496-V500 WeakPolarHBondContact O-CG2 3.2Å; A496-V500 PolarHBondContact O-N 2.99Å; A496-V500 VanDerWaalsContact O-N 3.12Å
497	V	80.1	Confident	79.1	Confident	106 Å²	106	104.9 Å²	104.9	64%	0.642	56%	0.561	S	S	*	*	H	α-helix	trans	-65	-43.4	177.5	177.5	0	0	0	0	111.4	V493 S494 A495 A499 V500	V493-V497 PolarHBondContact O-N 3.02Å; S494-V497 PolarHBondContact O-N 3.04Å; A495-V497 PolarHBondContact O-N 2.81Å; V497-A499 VanDerWaalsContact C-N 3.31Å; V497-A499 PolarHBondContact O-N 2.97Å; V497-V500 PolarHBondContact O-N 3.11Å
498	G	80.1	Confident	78.6	Confident	47 Å²	47	108.4 Å²	108.4	49%	0.485	57%	0.567	S	S	.	*	H	α-helix	trans	-61.3	-38.4	173.8	0	0	0	0	0	112.9	S494 A495 V500 F501 Y502	S494-G498 PolarHBondContact O-N 2.98Å; A495-G498 PolarHBondContact O-N 2.78Å; G498-V500 PolarHBondContact O-N 3.22Å; G498-F501 PolarHBondContact O-N 3.35Å; G498-Y502 PolarHBondContact O-N 3.14Å
499	A	74.3	Confident	78.4	Confident	56 Å²	56	109.4 Å²	109.4	46%	0.463	57%	0.571	S	S	.	*	H	α-helix	trans	-64.5	-36.7	177.6	0	0	0	0	0	113	A495 A496 V497 Y502 A503	A495-A499 WeakPolarHBondContact O-CB 3.05Å; A495-A499 PolarHBondContact O-N 3.37Å; A496-A499 WeakPolarHBondContact O-CB 3.12Å; A496-A499 PolarHBondContact O-N 3.06Å; V497-A499 VanDerWaalsContact C-N 3.31Å; V497-A499 PolarHBondContact O-N 2.97Å; A499-Y502 PolarHBondContact O-N 3.02Å; A499-A503 WeakPolarHBondContact O-CB 3.19Å; A499-A503 PolarHBondContact O-N 2.86Å
500	V	79.7	Confident	78.1	Confident	97 Å²	97	107.4 Å²	107.4	59%	0.588	56%	0.559	S	S	*	*	H	α-helix	trans	-63.3	-45.2	177.9	172.5	0	0	0	0	111.8	A496 V497 G498 Y502 A503 I504	A496-V500 WeakPolarHBondContact O-CG2 3.2Å; A496-V500 PolarHBondContact O-N 2.99Å; A496-V500 VanDerWaalsContact O-N 3.12Å; V497-V500 PolarHBondContact O-N 3.11Å; G498-V500 PolarHBondContact O-N 3.22Å; V500-Y502 VanDerWaalsContact C-N 3.33Å; V500-Y502 PolarHBondContact O-N 2.83Å; V500-A503 WeakPolarHBondContact O-CB 3.16Å; V500-A503 PolarHBondContact O-N 2.91Å; V500-I504 PolarHBondContact O-N 2.86Å
501	F	76.6	Confident	77.8	Confident	157 Å²	157	106 Å²	106	69%	0.689	55%	0.551	S	S	*	*	H	α-helix	trans	-64.4	-40.4	178.2	-175.5	-99.2	0	0	0	111.6	G498 A503 I504	G498-F501 PolarHBondContact O-N 3.35Å; F501-A503 VanDerWaalsContact C-N 3.34Å; F501-A503 PolarHBondContact O-N 2.82Å; F501-I504 PolarHBondContact O-N 3.37Å
502	Y	77.1	Confident	77.6	Confident	162 Å²	162	105.9 Å²	105.9	64%	0.635	55%	0.553	S	S	*	*	H	α-helix	trans	-61	-41.4	173.9	-175	-97.7	0	0	0	112	G498 A499 V500 I504 R505 Q506	G498-Y502 PolarHBondContact O-N 3.14Å; A499-Y502 PolarHBondContact O-N 3.02Å; V500-Y502 VanDerWaalsContact C-N 3.33Å; V500-Y502 PolarHBondContact O-N 2.83Å; Y502-I504 VanDerWaalsContact C-N 3.34Å; Y502-I504 PolarHBondContact O-N 2.94Å; Y502-R505 PolarHBondContact O-N 3.33Å; Y502-Q506 VanDerWaalsContact CE1-OE1 3.24Å; Y502-Q506 WeakPolarHBondContact O-CB 3.25Å; Y502-Q506 PolarHBondContact O-N 3.15Å
503	A	76.2	Confident	77.5	Confident	45 Å²	45	111.4 Å²	111.4	37%	0.372	57%	0.565	S	S	.	*	H	α-helix	trans	-60.8	-34.3	-179.4	0	0	0	0	0	114.1	A499 V500 F501 Q506 K507	A499-A503 WeakPolarHBondContact O-CB 3.19Å; A499-A503 PolarHBondContact O-N 2.86Å; V500-A503 WeakPolarHBondContact O-CB 3.16Å; V500-A503 PolarHBondContact O-N 2.91Å; F501-A503 VanDerWaalsContact C-N 3.34Å; F501-A503 PolarHBondContact O-N 2.82Å; A503-Q506 WeakPolarHBondContact O-CB 3.5Å; A503-Q506 PolarHBondContact O-N 3.23Å; A503-K507 PolarHBondContact O-N 3.11Å
504	I	76.4	Confident	77.3	Confident	117 Å²	117	110.2 Å²	110.2	60%	0.6	55%	0.552	S	S	*	*	H	α-helix	trans	-68.6	-44.7	178.9	-64	174.1	0	0	0	111.3	V500 F501 Y502 Q506 K507	V500-I504 PolarHBondContact O-N 2.86Å; F501-I504 PolarHBondContact O-N 3.37Å; Y502-I504 VanDerWaalsContact C-N 3.34Å; Y502-I504 PolarHBondContact O-N 2.94Å; I504-Q506 PolarHBondContact O-N 3.09Å; I504-K507 WeakPolarHBondContact O-CB 3.44Å; I504-K507 PolarHBondContact O-N 3Å
505	R	78.3	Confident	77.3	Confident	202 Å²	202	108.3 Å²	108.3	76%	0.762	54%	0.536	S	S	*	.	H	α-helix	trans	-66.2	-34.4	177.2	-121.2	-176.1	172.8	171	-0.5	111.3	Y502	Y502-R505 PolarHBondContact O-N 3.33Å
506	Q	74.1	Confident	77.5	Confident	98 Å²	98	112.9 Å²	112.9	46%	0.458	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-40	173.2	-163.3	175.1	-11.3	0	0	111.5	Y502 A503 I504 R508 K509 E510	Y502-Q506 VanDerWaalsContact CE1-OE1 3.24Å; Y502-Q506 WeakPolarHBondContact O-CB 3.25Å; Y502-Q506 PolarHBondContact O-N 3.15Å; A503-Q506 WeakPolarHBondContact O-CB 3.5Å; A503-Q506 PolarHBondContact O-N 3.23Å; I504-Q506 PolarHBondContact O-N 3.09Å; Q506-R508 PolarHBondContact O-N 2.98Å; Q506-K509 PolarHBondContact O-N 3.4Å; Q506-E510 VanDerWaalsContact O-CB 3.28Å; Q506-E510 WeakPolarHBondContact O-CB 3.39Å; Q506-E510 PolarHBondContact O-N 3.08Å
507	K	75.5	Confident	77.7	Confident	156 Å²	156	113.9 Å²	113.9	68%	0.678	55%	0.546	S	S	*	.	H	α-helix	trans	-57.9	-37.9	179.3	-87	-166.8	174.4	-171.7	0	115.8	A503 I504 E510 I511	A503-K507 PolarHBondContact O-N 3.11Å; I504-K507 WeakPolarHBondContact O-CB 3.44Å; I504-K507 PolarHBondContact O-N 3Å; K507-E510 WeakPolarHBondContact O-CB 3.4Å; K507-E510 PolarHBondContact O-N 3.39Å; K507-I511 PolarHBondContact O-N 3.43Å
508	R	74.3	Confident	78	Confident	206 Å²	206	109.5 Å²	109.5	78%	0.777	52%	0.518	S	S	*	.	H	α-helix	trans	-71	-46.1	179.3	-82.1	-172.7	-179.5	178.3	0.3	112.2	Q506 E510 I511	Q506-R508 PolarHBondContact O-N 2.98Å; R508-E510 PolarHBondContact O-N 3.14Å; R508-I511 PolarHBondContact O-N 2.76Å; R508-I511 VanDerWaalsContact O-N 3.17Å
509	K	77	Confident	78.3	Confident	160 Å²	160	110.1 Å²	110.1	70%	0.696	51%	0.508	S	S	*	.	H	α-helix	trans	-61	-31.4	172.8	-71	-171.2	173.7	-170.8	0	111.4	Q506 R513	Q506-K509 PolarHBondContact O-N 3.4Å; K509-R513 VanDerWaalsContact O-CB 3.27Å; K509-R513 WeakPolarHBondContact O-CB 3.31Å; K509-R513 PolarHBondContact O-N 2.79Å
510	E	74.7	Confident	79	Confident	62 Å²	62	107.4 Å²	107.4	29%	0.29	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-37.1	175.9	-168.6	61.1	-156.2	0	0	112.6	Q506 K507 R508 R513 Q514	Q506-E510 VanDerWaalsContact O-CB 3.28Å; Q506-E510 WeakPolarHBondContact O-CB 3.39Å; Q506-E510 PolarHBondContact O-N 3.08Å; K507-E510 WeakPolarHBondContact O-CB 3.4Å; K507-E510 PolarHBondContact O-N 3.39Å; R508-E510 PolarHBondContact O-N 3.14Å; E510-R513 PolarHBondContact O-N 3.04Å; E510-Q514 HydrophobicContact CG-CG 4.38Å; E510-Q514 VanDerWaalsContact O-CB 3.32Å; E510-Q514 WeakPolarHBondContact O-CB 3.15Å; E510-Q514 WeakPolarHBondContact O-CG 3.3Å; E510-Q514 PolarHBondContact O-N 2.96Å
511	I	76.4	Confident	79.4	Confident	87 Å²	87	107 Å²	107	45%	0.446	48%	0.478	S	S	.	.	H	α-helix	trans	-66.7	-46.2	178.8	-66.2	169.5	0	0	0	111.6	K507 R508 R513 Q514 D515	K507-I511 PolarHBondContact O-N 3.43Å; R508-I511 PolarHBondContact O-N 2.76Å; R508-I511 VanDerWaalsContact O-N 3.17Å; I511-R513 VanDerWaalsContact C-N 3.31Å; I511-R513 PolarHBondContact O-N 2.73Å; I511-Q514 WeakPolarHBondContact O-CB 3.29Å; I511-Q514 PolarHBondContact O-N 3.37Å; I511-Q514 VanDerWaalsContact O-N 3.1Å; I511-D515 PolarHBondContact O-N 2.94Å
512	E	77.4	Confident	79.9	Confident	140 Å²	140	101.3 Å²	101.3	65%	0.654	46%	0.46	S	S	*	.	H	α-helix	trans	-60.8	-44.2	175.7	-70.5	171.8	176.6	0	0	110.6	Q514 D515 E516	E512-Q514 VanDerWaalsContact C-N 3.28Å; E512-Q514 PolarHBondContact O-N 3.48Å; E512-D515 PolarHBondContact O-N 3.42Å; E512-E516 PolarHBondContact O-N 2.86Å; E512-E516 VanDerWaalsContact O-N 3.15Å
513	R	80.3	Confident	80.4	Confident	158 Å²	158	97.6 Å²	97.6	60%	0.596	46%	0.457	S	S	*	.	H	α-helix	trans	-59	-40	173.3	-171.3	-177	177.9	173.9	0.2	111.7	K509 E510 I511 E516 L517	K509-R513 VanDerWaalsContact O-CB 3.27Å; K509-R513 WeakPolarHBondContact O-CB 3.31Å; K509-R513 PolarHBondContact O-N 2.79Å; E510-R513 PolarHBondContact O-N 3.04Å; I511-R513 VanDerWaalsContact C-N 3.31Å; I511-R513 PolarHBondContact O-N 2.73Å; R513-E516 PolarHBondContact O-N 3.24Å; R513-L517 WeakPolarHBondContact O-CG 3.33Å; R513-L517 PolarHBondContact O-N 2.56Å
514	Q	77.1	Confident	81	Confident	76 Å²	76	100.4 Å²	100.4	36%	0.355	46%	0.463	S	S	.	.	H	α-helix	trans	-67.9	-32.2	178.2	-78.2	172.1	-0.3	0	0	113.2	E510 I511 E512 L517	E510-Q514 HydrophobicContact CG-CG 4.38Å; E510-Q514 VanDerWaalsContact O-CB 3.32Å; E510-Q514 WeakPolarHBondContact O-CB 3.15Å; E510-Q514 WeakPolarHBondContact O-CG 3.3Å; E510-Q514 PolarHBondContact O-N 2.96Å; I511-Q514 WeakPolarHBondContact O-CB 3.29Å; I511-Q514 PolarHBondContact O-N 3.37Å; I511-Q514 VanDerWaalsContact O-N 3.1Å; E512-Q514 VanDerWaalsContact C-N 3.28Å; E512-Q514 PolarHBondContact O-N 3.48Å; Q514-L517 WeakPolarHBondContact O-CB 3.46Å; Q514-L517 PolarHBondContact O-N 3.35Å
515	D	79.6	Confident	81.5	Confident	36 Å²	36	95.6 Å²	95.6	19%	0.193	44%	0.438	C	S	.	.	H	α-helix	trans	-71.1	-37.2	174.4	-89	-23.4	0	0	0	112.8	I511 E512 L517 W518 R592	I511-D515 PolarHBondContact O-N 2.94Å; E512-D515 PolarHBondContact O-N 3.42Å; D515-L517 PolarHBondContact O-N 2.87Å; D515-W518 PolarHBondContact O-NE1 3.46Å; D515-W518 PolarHBondContact OD1-NE1 3.1Å; D515-R592 WeakPolarHBondContact OD1-CD 3.01Å; D515-R592 WeakPolarHBondContact OD1-CG 3.05Å; D515-R592 IonicContact OD1-CZ 3.47Å; D515-R592 IonicContact OD1-NE 3.58Å; D515-R592 IonicContact OD1-NH1 3.44Å; D515-R592 PolarHBondContact OD1-NH1 3.44Å; D515-R592 IonicContact OD2-NH1 2.75Å; D515-R592 PolarHBondContact OD2-NH1 3.34Å
516	E	82.7	Confident	81.9	Confident	148 Å²	148	92.3 Å²	92.3	69%	0.692	43%	0.429	S	S	*	.	H	α-helix	trans	-62.7	-25.9	172.3	-70.2	-178.6	167.4	0	0	112.3	E512 R513	E512-E516 PolarHBondContact O-N 2.86Å; E512-E516 VanDerWaalsContact O-N 3.15Å; R513-E516 PolarHBondContact O-N 3.24Å
517	L	84.1	Confident	82.2	Confident	76 Å²	76	92.3 Å²	92.3	40%	0.398	44%	0.437	S	S	.	.	H	α-helix	trans	-63.7	-49.7	-177.7	-69	178.7	0	0	0	112.1	R513 Q514 D515 H519 R595	R513-L517 WeakPolarHBondContact O-CG 3.33Å; R513-L517 PolarHBondContact O-N 2.56Å; Q514-L517 WeakPolarHBondContact O-CB 3.46Å; Q514-L517 PolarHBondContact O-N 3.35Å; D515-L517 PolarHBondContact O-N 2.87Å; L517-H519 VanDerWaalsContact C-N 3.29Å; L517-H519 PolarHBondContact O-N 2.8Å; L517-R595 VanDerWaalsContact C-CZ 3.43Å; L517-R595 PolarHBondContact O-NH1 3.41Å; L517-R595 PolarHBondContact O-NH2 3.43Å
518	W	86.1	Confident	82.2	Confident	13 Å²	13	87.4 Å²	87.4	5%	0.049	42%	0.418	C	S	.	.	H	α-helix	trans	-77.6	-12.7	-175.4	63.4	-99.5	0	0	0	113.8	D515 V520 L583 R588 L591 R595 G607 L608 L610	D515-W518 PolarHBondContact O-NE1 3.46Å; D515-W518 PolarHBondContact OD1-NE1 3.1Å; W518-V520 PolarHBondContact O-N 3.05Å; W518-L583 HydrophobicContact CH2-CD1 3.63Å; W518-L583 HydrophobicContact CZ3-CD1 3.88Å; W518-R588 HydrophobicContact CH2-CG 4.5Å; W518-R588 HydrophobicContact CZ2-CB 4.35Å; W518-R588 HydrophobicContact CZ2-CG 3.91Å; W518-L591 HydrophobicContact CD2-CB 4.08Å; W518-L591 HydrophobicContact CD2-CD1 4.13Å; W518-L591 HydrophobicContact CE3-CB 4.48Å; W518-L591 HydrophobicContact CE3-CD1 3.8Å; W518-L591 HydrophobicContact CG-CB 4.18Å; W518-L591 HydrophobicContact CH2-CD1 4Å; W518-L591 HydrophobicContact CZ2-CD1 4.28Å; W518-L591 HydrophobicContact CZ3-CD1 3.73Å; W518-R595 HydrophobicContact CB-CB 4.45Å; W518-G607 CarbonylContact O-C 3.48Å; W518-G607 WeakPolarHBondContact O-CA 3.33Å; W518-L608 PolarHBondContact O-N 3.26Å; W518-L610 HydrophobicContact CH2-CD1 4.45Å; W518-L610 HydrophobicContact CZ3-CD1 4.23Å
519	H	87.3	Confident	81.5	Confident	60 Å²	60	82.3 Å²	82.3	28%	0.278	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-82.4	113.1	176.8	-174.9	-142.6	0	0	0	110.7	L517	L517-H519 VanDerWaalsContact C-N 3.29Å; L517-H519 PolarHBondContact O-N 2.8Å
520	V	88.2	Confident	80.5	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	42%	0.416	C	S	.	.			trans	-101.9	113	179.5	178.6	0	0	0	0	109.6	W518 L525 Y567 I606 L608 C609 I618	W518-V520 PolarHBondContact O-N 3.05Å; V520-L525 HydrophobicContact CG1-CD1 4.32Å; V520-L525 HydrophobicContact CG1-CD2 3.99Å; V520-L525 HydrophobicContact CG1-CG 4.09Å; V520-Y567 HydrophobicContact CG1-CD2 3.99Å; V520-Y567 HydrophobicContact CG1-CE2 3.57Å; V520-Y567 HydrophobicContact CG2-CE2 4.5Å; V520-I606 HydrophobicContact CG2-CG2 4.21Å; V520-L608 PolarHBondContact N-O 2.94Å; V520-C609 VanDerWaalsContact O-CA 3.27Å; V520-C609 WeakPolarHBondContact O-CA 3.32Å; V520-C609 PolarHBondContact O-SG 2.89Å; V520-I618 HydrophobicContact CB-CG1 4.36Å; V520-I618 HydrophobicContact CG1-CG1 4.33Å; V520-I618 HydrophobicContact CG2-CG1 4.36Å
521	E	87.9	Confident	79.2	Confident	88 Å²	88	86.2 Å²	86.2	41%	0.411	43%	0.43	S	S	.	.			trans	-70	139	173.7	-66.9	-167.5	175.8	0	0	112.1	S523 H524	E521-S523 WeakPolarHBondContact CB-OG 3.39Å; E521-S523 PolarHBondContact O-N 2.92Å; E521-S523 PolarHBondContact OE2-OG 3.5Å; E521-S523 VanDerWaalsContact OE2-OG 3.12Å; E521-H524 PolarHBondContact O-N 3.33Å
522	A	86.8	Confident	77.6	Confident	38 Å²	38	86.2 Å²	86.2	31%	0.314	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-60.3	-29	178.2	0	0	0	0	0	112.7	H524 L525 C609	A522-H524 PolarHBondContact O-N 3Å; A522-L525 PolarHBondContact O-N 3.42Å; A522-C609 VanDerWaalsContact CA-SG 3.54Å; A522-C609 PolarHBondContact N-SG 3.42Å; A522-C609 VanDerWaalsContact N-SG 3.42Å
523	S	87.4	Confident	76.1	Confident	83 Å²	83	89.7 Å²	89.7	58%	0.58	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-58.9	-27.6	174.8	55.6	0	0	0	0	113.2	E521	E521-S523 WeakPolarHBondContact CB-OG 3.39Å; E521-S523 PolarHBondContact O-N 2.92Å; E521-S523 PolarHBondContact OE2-OG 3.5Å; E521-S523 VanDerWaalsContact OE2-OG 3.12Å
524	H	88.5	Confident	74.5	Confident	105 Å²	105	86.6 Å²	86.6	49%	0.486	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-88.9	-9	-178.2	-64.2	166.2	0	0	0	113.6	E521 A522 Y567	E521-H524 PolarHBondContact O-N 3.33Å; A522-H524 PolarHBondContact O-N 3Å; H524-Y567 HydrophobicContact CB-CD2 3.95Å; H524-Y567 HydrophobicContact CB-CE2 3.73Å
525	L	86.9	Confident	73.2	Confident	15 Å²	15	89 Å²	89	8%	0.079	47%	0.465	C	S	.	.			trans	-92.1	103.6	179.2	-64.7	176.5	0	0	0	110.2	V520 A522 Y565 Y567 V572 C609 L616 I618	V520-L525 HydrophobicContact CG1-CD1 4.32Å; V520-L525 HydrophobicContact CG1-CD2 3.99Å; V520-L525 HydrophobicContact CG1-CG 4.09Å; A522-L525 PolarHBondContact O-N 3.42Å; L525-Y565 HydrophobicContact CB-CD1 3.77Å; L525-Y565 HydrophobicContact CB-CD2 4.44Å; L525-Y565 HydrophobicContact CB-CE1 4.24Å; L525-Y565 HydrophobicContact CB-CG 3.89Å; L525-Y565 HydrophobicContact CD1-CD2 4.44Å; L525-Y565 HydrophobicContact CD2-CG 4.37Å; L525-Y567 HydrophobicContact CD2-CD2 3.89Å; L525-Y567 HydrophobicContact CD2-CG 4.17Å; L525-V572 HydrophobicContact CD2-CG2 4.26Å; L525-C609 HydrophobicContact CD1-CB 4.2Å; L525-L616 HydrophobicContact CD1-CD1 4.3Å; L525-I618 HydrophobicContact CD1-CD1 3.89Å; L525-I618 HydrophobicContact CD2-CD1 4.33Å
526	K	86.6	Confident	71.5	Confident	133 Å²	133	91.9 Å²	91.9	58%	0.578	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.1	178.9	-64.3	178.2	-176.9	176.3	0	110.4	Y565 I566	K526-Y565 CarbonylContact O-C 3.57Å; K526-Y565 WeakPolarHBondContact O-CA 3.1Å; K526-I566 HydrophobicContact CB-CB 4.25Å; K526-I566 PolarHBondContact N-O 2.72Å; K526-I566 PolarHBondContact O-N 3.21Å
527	P	82.3	Confident	69.9	Low	98 Å²	98	89.1 Å²	89.1	64%	0.636	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	141.5	177.6	27	-33.4	0	0	0	110.7	S529 Y565	P527-S529 PolarHBondContact O-N 2.67Å; P527-Y565 HydrophobicContact CB-CD1 4.49Å; P527-Y565 HydrophobicContact CB-CE1 4.38Å
528	I	75.5	Confident	68.1	Low	54 Å²	54	93.9 Å²	93.9	28%	0.277	51%	0.511	S	S	.	.			trans	-77.3	107.4	175.1	-59.3	176.1	0	0	0	108	V553 F564 I566 V571	I528-V553 HydrophobicContact CD1-CG1 3.72Å; I528-F564 HydrophobicContact CD1-CB 3.76Å; I528-I566 HydrophobicContact CD1-CG1 4.49Å; I528-I566 HydrophobicContact CG1-CD1 4.37Å; I528-I566 HydrophobicContact CG1-CG1 3.94Å; I528-V571 HydrophobicContact CD1-CG1 4.01Å; I528-V571 HydrophobicContact CD1-CG2 4.5Å
529	S	59.7	Low	66	Low	99 Å²	99	104.7 Å²	104.7	69%	0.692	55%	0.551	S	S	*	*			trans	-73	132.3	178	58.6	0	0	0	0	111	P527 K531	P527-S529 PolarHBondContact O-N 2.67Å; S529-K531 PolarHBondContact O-N 3.33Å
530	K	55.3	Low	63.8	Low	169 Å²	169	106.7 Å²	106.7	74%	0.735	57%	0.572	S	S	*	*			trans	-66.1	114.3	170.6	-69.4	-178.1	-179.9	177.9	0	108.6
531	K	48	Very low	61.6	Low	134 Å²	134	116.9 Å²	116.9	58%	0.583	62%	0.617	S	S	*	*			trans	-63.5	137.6	168.3	-79.6	-175.4	164.2	-133.8	0	110	S529 E535	S529-K531 PolarHBondContact O-N 3.33Å; K531-E535 IonicContact NZ-OE2 3.53Å; K531-E535 PolarHBondContact NZ-OE2 2.78Å
532	S	42.7	Very low	59.1	Low	87 Å²	87	116.9 Å²	116.9	61%	0.608	63%	0.632	S	S	*	*			trans	-64	148.8	179.3	95.9	0	0	0	0	110.8	S534 E535	S532-S534 PolarHBondContact O-N 3.29Å; S532-E535 PolarHBondContact O-N 2.88Å
533	K	45.8	Very low	56.7	Low	213 Å²	213	120.2 Å²	120.2	93%	0.926	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	-8.7	-177.3	-76.2	-177.5	173.1	-178.3	0	115.8
534	S	46.8	Very low	54.3	Low	94 Å²	94	119 Å²	119	66%	0.657	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-21.9	-175.9	-173.6	0	0	0	0	115.3	S532	S532-S534 PolarHBondContact O-N 3.29Å
535	E	48.5	Very low	51.8	Low	127 Å²	127	120.5 Å²	120.5	59%	0.593	67%	0.673	S	S	*	*	S	Bend	trans	-92.1	-4.9	-173.5	-72.3	-173	169	0	0	114.5	K531 S532 S537	K531-E535 IonicContact NZ-OE2 3.53Å; K531-E535 PolarHBondContact NZ-OE2 2.78Å; S532-E535 PolarHBondContact O-N 2.88Å; E535-S537 VanDerWaalsContact C-N 3.33Å; E535-S537 PolarHBondContact O-N 3.07Å
536	A	45	Very low	49.3	Very low	95 Å²	95	124.4 Å²	124.4	79%	0.785	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-3.5	-172.2	0	0	0	0	0	115.1
537	S	48	Very low	46.9	Very low	90 Å²	90	124.2 Å²	124.2	63%	0.629	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-3.8	-169.4	59	0	0	0	0	116.5	E535	E535-S537 VanDerWaalsContact C-N 3.33Å; E535-S537 PolarHBondContact O-N 3.07Å
538	Q	47.5	Very low	44.8	Very low	176 Å²	176	123.2 Å²	123.2	82%	0.822	71%	0.707	S	S	*	*	S	Bend	trans	-107.8	6.1	-169.4	-73.7	-165.6	-13.9	0	0	116.9
539	R	42.2	Very low	43.3	Very low	241 Å²	241	125.4 Å²	125.4	91%	0.909	72%	0.723	S	S	*	*			trans	-110.4	12.5	-176.3	-79.4	-172.8	176.3	177.6	-1.4	116.3	F541	R539-F541 PolarHBondContact O-N 3.17Å
540	S	41.2	Very low	42.4	Very low	102 Å²	102	129 Å²	129	71%	0.713	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	10.1	-172	20.8	0	0	0	0	116.7
541	F	40.7	Very low	42	Very low	213 Å²	213	124.1 Å²	124.1	93%	0.934	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	3.9	-173.9	-100.9	-82.1	0	0	0	116.9	R539	R539-F541 PolarHBondContact O-N 3.17Å
542	A	36.2	Very low	42.1	Very low	88 Å²	88	121.6 Å²	121.6	73%	0.727	70%	0.703	S	S	*	*	S	Bend	trans	-145.6	77.5	-177.3	0	0	0	0	0	112.7
543	S	36.4	Very low	42.7	Very low	109 Å²	109	119.3 Å²	119.3	76%	0.762	69%	0.685	S	S	*	*			trans	-178.5	130.3	149.8	13.5	0	0	0	0	109.1
544	G	37.2	Very low	42.9	Very low	57 Å²	57	115.2 Å²	115.2	59%	0.588	67%	0.67	S	S	*	*			trans	-55.6	168	168.6	0	0	0	0	0	111.8	S546	G544-S546 VanDerWaalsContact C-N 3.26Å; G544-S546 PolarHBondContact O-N 3.42Å; G544-S546 PolarHBondContact O-OG 3.37Å
545	P	35.4	Very low	43.1	Very low	137 Å²	137	114 Å²	114	89%	0.89	66%	0.661	S	S	*	*			trans	-67	83	-163.8	29.9	-34.5	0	0	0	110.9	T547	P545-T547 PolarHBondContact O-N 3.31Å
546	S	34.4	Very low	43.5	Very low	96 Å²	96	110.6 Å²	110.6	67%	0.671	64%	0.643	S	S	*	*			trans	-86.8	102.8	166.1	-56.4	0	0	0	0	105.3	G544 S548	G544-S546 VanDerWaalsContact C-N 3.26Å; G544-S546 PolarHBondContact O-N 3.42Å; G544-S546 PolarHBondContact O-OG 3.37Å; S546-S548 PolarHBondContact O-N 3.12Å
547	T	36.5	Very low	44.1	Very low	130 Å²	130	110 Å²	110	80%	0.798	63%	0.63	S	S	*	*			trans	-62.5	60.1	170.1	-16.6	0	0	0	0	109.6	P545 T549	P545-T547 PolarHBondContact O-N 3.31Å; T547-T549 PolarHBondContact O-N 3.3Å
548	S	38.6	Very low	45	Very low	77 Å²	77	111.6 Å²	111.6	54%	0.538	63%	0.627	S	S	.	*			trans	-92.7	94.1	-177.4	179.7	0	0	0	0	107.3	S546 K550	S546-S548 PolarHBondContact O-N 3.12Å; S548-K550 PolarHBondContact O-N 3.11Å
549	T	42.9	Very low	45.9	Very low	100 Å²	100	106.2 Å²	106.2	61%	0.613	61%	0.606	S	S	*	*			trans	-64	48	160.9	46.2	0	0	0	0	111.2	T547 L551	T547-T549 PolarHBondContact O-N 3.3Å; T549-L551 PolarHBondContact O-N 2.93Å
550	K	42	Very low	47.1	Very low	173 Å²	173	101.5 Å²	101.5	75%	0.752	61%	0.605	S	S	*	*			trans	-73.4	87.6	162.9	-98.1	-174.8	175.2	176.4	0	106.6	S548 T552	S548-K550 PolarHBondContact O-N 3.11Å; K550-T552 VanDerWaalsContact C-N 3.3Å; K550-T552 PolarHBondContact O-N 2.86Å
551	L	46.2	Very low	48.6	Very low	68 Å²	68	99.8 Å²	99.8	36%	0.356	58%	0.582	S	S	.	*			trans	-55.4	102.8	158.2	-101.2	131.1	0	0	0	107	T549 V553 R633	T549-L551 PolarHBondContact O-N 2.93Å; L551-V553 PolarHBondContact O-N 2.78Å; L551-R633 VanDerWaalsContact CD1-NH1 3.25Å
552	T	50.1	Low	50.6	Low	81 Å²	81	91.7 Å²	91.7	50%	0.497	55%	0.547	S	S	.	.			trans	-60.7	128	176.8	44.1	0	0	0	0	107.9	K550 E554 S555	K550-T552 VanDerWaalsContact C-N 3.3Å; K550-T552 PolarHBondContact O-N 2.86Å; T552-E554 PolarHBondContact O-N 2.8Å; T552-S555 WeakPolarHBondContact O-CB 3.48Å; T552-S555 PolarHBondContact O-N 3Å; T552-S555 PolarHBondContact O-OG 3.29Å
553	V	54.3	Low	52.9	Low	38 Å²	38	88.8 Å²	88.8	23%	0.23	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-49.4	-29.2	177.4	178.3	0	0	0	0	111.3	I528 L551 S555 R556 V571 Y621	I528-V553 HydrophobicContact CD1-CG1 3.72Å; L551-V553 PolarHBondContact O-N 2.78Å; V553-S555 PolarHBondContact O-N 3.38Å; V553-S555 VanDerWaalsContact O-N 3.1Å; V553-R556 PolarHBondContact O-N 2.9Å; V553-R556 VanDerWaalsContact O-N 3.09Å; V553-V571 HydrophobicContact CG1-CG1 3.89Å; V553-V571 HydrophobicContact CG1-CG2 4.28Å; V553-V571 HydrophobicContact CG2-CG2 4.38Å; V553-Y621 HydrophobicContact CG2-CD1 4.4Å; V553-Y621 HydrophobicContact CG2-CE1 3.62Å
554	E	50.6	Low	55.4	Low	128 Å²	128	85.1 Å²	85.1	60%	0.598	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-57.5	-18.9	176.5	-60	175.7	160.3	0	0	114.3	T552	T552-E554 PolarHBondContact O-N 2.8Å
555	S	51.1	Low	57.8	Low	68 Å²	68	84.3 Å²	84.3	48%	0.476	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-84.8	-15.3	177	64.4	0	0	0	0	114.5	T552 V553	T552-S555 WeakPolarHBondContact O-CB 3.48Å; T552-S555 PolarHBondContact O-N 3Å; T552-S555 PolarHBondContact O-OG 3.29Å; V553-S555 PolarHBondContact O-N 3.38Å; V553-S555 VanDerWaalsContact O-N 3.1Å
556	R	56.3	Low	60.3	Low	56 Å²	56	80.6 Å²	80.6	21%	0.211	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-88.1	119.3	-176.6	-67.3	-158.1	178.1	-134.2	-7	111.4	V553 F564 R624 D629	V553-R556 PolarHBondContact O-N 2.9Å; V553-R556 VanDerWaalsContact O-N 3.09Å; R556-F564 HydrophobicContact CB-CD2 4.17Å; R556-F564 HydrophobicContact CB-CE2 3.76Å; R556-F564 HydrophobicContact CB-CZ 4.43Å; R556-R624 PolarHBondContact NH2-O 3.38Å; R556-D629 IonicContact CZ-OD2 3.98Å; R556-D629 IonicContact NH1-OD2 3.57Å; R556-D629 PolarHBondContact NH1-OD2 3.31Å; R556-D629 IonicContact NH2-OD2 3.34Å; R556-D629 PolarHBondContact NH2-OD2 2.78Å
557	T	58.8	Low	62.9	Low	83 Å²	83	76.8 Å²	76.8	51%	0.509	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-81.5	146.7	172.8	49.1	0	0	0	0	111.2	T559	T557-T559 PolarHBondContact O-N 2.59Å
558	E	65.7	Low	65.3	Low	123 Å²	123	77.5 Å²	77.5	58%	0.575	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-46.6	130.1	164.5	173.6	172.4	-173.3	0	0	110.1	I563 K576	E558-I563 HydrophobicContact CG-CG1 4Å; E558-I563 WeakPolarHBondContact OE1-CD1 3.11Å; E558-K576 IonicContact OE1-NZ 2.76Å; E558-K576 PolarHBondContact OE1-NZ 2.86Å
559	T	67.9	Low	67.4	Low	62 Å²	62	81.1 Å²	81.1	38%	0.38	42%	0.419	S	S	.	.			trans	-104.7	170	174.8	62.9	0	0	0	0	109.5	T557 R561 F562	T557-T559 PolarHBondContact O-N 2.59Å; T559-R561 PolarHBondContact O-N 3.15Å; T559-R561 VanDerWaalsContact O-N 3.16Å; T559-F562 PolarHBondContact N-O 2.8Å; T559-F562 PolarHBondContact OG1-N 2.81Å; T559-F562 PolarHBondContact OG1-O 2.85Å
560	T	66.9	Low	69.4	Low	143 Å²	143	80.7 Å²	80.7	88%	0.877	41%	0.411	S	S	*	.	S	Bend	trans	-58.5	-25.7	174.2	47.6	0	0	0	0	112.7
561	R	73.6	Confident	71.6	Confident	65 Å²	65	74.4 Å²	74.4	25%	0.245	39%	0.387	C	S	.	.	S	Bend	trans	-104.7	-29.3	-176.6	-174.2	171.3	171.5	170.5	-3.8	114.4	T559 N575 K576 D685	T559-R561 PolarHBondContact O-N 3.15Å; T559-R561 VanDerWaalsContact O-N 3.16Å; R561-N575 WeakPolarHBondContact O-CA 3.31Å; R561-K576 PolarHBondContact O-N 2.9Å; R561-D685 IonicContact CZ-OD2 3.61Å; R561-D685 IonicContact NE-OD2 2.61Å; R561-D685 IonicContact NH2-OD2 3.12Å; R561-D685 PolarHBondContact NH2-OD2 3.14Å
562	F	81.2	Confident	73.7	Confident	43 Å²	43	71.2 Å²	71.2	19%	0.189	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.9	-171.9	-58.2	-93.7	0	0	0	113.1	T559 A574 N575	T559-F562 PolarHBondContact N-O 2.8Å; T559-F562 PolarHBondContact OG1-N 2.81Å; T559-F562 PolarHBondContact OG1-O 2.85Å; F562-A574 WeakPolarHBondContact CA-O 3.47Å; F562-N575 WeakPolarHBondContact CD1-OD1 3.44Å; F562-N575 VanDerWaalsContact CE1-CG 3.41Å; F562-N575 WeakPolarHBondContact CE1-OD1 3.12Å
563	I	85.5	Confident	75.6	Confident	28 Å²	28	67.8 Å²	67.8	14%	0.144	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.8	164.2	-52.9	-179.7	0	0	0	108.5	E558 Y565 A574	E558-I563 HydrophobicContact CG-CG1 4Å; E558-I563 WeakPolarHBondContact OE1-CD1 3.11Å; I563-Y565 HydrophobicContact CB-CD2 4.3Å; I563-Y565 HydrophobicContact CB-CE2 3.66Å; I563-Y565 HydrophobicContact CD1-CE2 4.4Å; I563-Y565 HydrophobicContact CG2-CD2 4Å; I563-Y565 HydrophobicContact CG2-CE1 4.2Å; I563-Y565 HydrophobicContact CG2-CE2 3.45Å; I563-Y565 VanDerWaalsContact CG2-CE2 3.45Å; I563-A574 PolarHBondContact N-O 3.03Å; I563-A574 PolarHBondContact O-N 3.35Å
564	F	87.5	Confident	77.2	Confident	31 Å²	31	66 Å²	66	14%	0.136	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.7	172.6	-56.7	-75.2	0	0	0	110.7	I528 R556 V572 A573 Y621	I528-F564 HydrophobicContact CD1-CB 3.76Å; R556-F564 HydrophobicContact CB-CD2 4.17Å; R556-F564 HydrophobicContact CB-CE2 3.76Å; R556-F564 HydrophobicContact CB-CZ 4.43Å; F564-V572 WeakPolarHBondContact CA-O 3.39Å; F564-A573 HydrophobicContact CD1-CB 4.12Å; F564-A573 HydrophobicContact CE1-CB 3.98Å; F564-Y621 AromaticContact CD1-CD2 3.7Å; F564-Y621 HydrophobicContact CD1-CD2 3.7Å; F564-Y621 AromaticContact CD1-CE2 3.88Å; F564-Y621 HydrophobicContact CD1-CE2 3.88Å; F564-Y621 AromaticContact CE1-CD2 3.65Å; F564-Y621 HydrophobicContact CE1-CD2 3.65Å; F564-Y621 AromaticContact CE1-CE2 3.63Å; F564-Y621 HydrophobicContact CE1-CE2 3.63Å; F564-Y621 HydrophobicContact CZ-CE2 4.34Å
565	Y	88.9	Confident	79	Confident	40 Å²	40	60.2 Å²	60.2	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	161.7	177.4	-68.3	-81	0	0	0	110.6	L525 K526 P527 I563 V571 V572 A574 L616	L525-Y565 HydrophobicContact CB-CD1 3.77Å; L525-Y565 HydrophobicContact CB-CD2 4.44Å; L525-Y565 HydrophobicContact CB-CE1 4.24Å; L525-Y565 HydrophobicContact CB-CG 3.89Å; L525-Y565 HydrophobicContact CD1-CD2 4.44Å; L525-Y565 HydrophobicContact CD2-CG 4.37Å; K526-Y565 CarbonylContact O-C 3.57Å; K526-Y565 WeakPolarHBondContact O-CA 3.1Å; P527-Y565 HydrophobicContact CB-CD1 4.49Å; P527-Y565 HydrophobicContact CB-CE1 4.38Å; I563-Y565 HydrophobicContact CB-CD2 4.3Å; I563-Y565 HydrophobicContact CB-CE2 3.66Å; I563-Y565 HydrophobicContact CD1-CE2 4.4Å; I563-Y565 HydrophobicContact CG2-CD2 4Å; I563-Y565 HydrophobicContact CG2-CE1 4.2Å; I563-Y565 HydrophobicContact CG2-CE2 3.45Å; I563-Y565 VanDerWaalsContact CG2-CE2 3.45Å; Y565-V571 WeakPolarHBondContact O-CA 3.33Å; Y565-V572 PolarHBondContact N-O 3.09Å; Y565-V572 PolarHBondContact O-N 2.82Å; Y565-A574 HydrophobicContact CD2-CB 3.68Å; Y565-A574 HydrophobicContact CE2-CB 3.77Å; Y565-L616 HydrophobicContact CE2-CD1 4.18Å
566	I	88	Confident	80.8	Confident	59 Å²	59	59.1 Å²	59.1	30%	0.303	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120	161.6	-59.9	169.8	0	0	0	107.2	K526 I528 E570	K526-I566 HydrophobicContact CB-CB 4.25Å; K526-I566 PolarHBondContact N-O 2.72Å; K526-I566 PolarHBondContact O-N 3.21Å; I528-I566 HydrophobicContact CD1-CG1 4.49Å; I528-I566 HydrophobicContact CG1-CD1 4.37Å; I528-I566 HydrophobicContact CG1-CG1 3.94Å; I566-E570 CarbonylContact C-O 3.5Å; I566-E570 WeakPolarHBondContact CA-O 3.42Å
567	Y	88.6	Confident	82.2	Confident	17 Å²	17	56.7 Å²	56.7	7%	0.067	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.4	174.9	-179.6	-108.5	0	0	0	108.2	V520 H524 L525 N569 E570 I606	V520-Y567 HydrophobicContact CG1-CD2 3.99Å; V520-Y567 HydrophobicContact CG1-CE2 3.57Å; V520-Y567 HydrophobicContact CG2-CE2 4.5Å; H524-Y567 HydrophobicContact CB-CD2 3.95Å; H524-Y567 HydrophobicContact CB-CE2 3.73Å; L525-Y567 HydrophobicContact CD2-CD2 3.89Å; L525-Y567 HydrophobicContact CD2-CG 4.17Å; Y567-N569 VanDerWaalsContact C-N 3.27Å; Y567-N569 PolarHBondContact O-N 3.01Å; Y567-E570 PolarHBondContact N-O 3.13Å; Y567-E570 PolarHBondContact O-N 2.96Å; Y567-E570 VanDerWaalsContact O-O 3.1Å; Y567-I606 HydrophobicContact CD1-CG2 4.12Å; Y567-I606 HydrophobicContact CE1-CG2 3.8Å
568	Q	86.6	Confident	83.3	Confident	145 Å²	145	57.3 Å²	57.3	68%	0.678	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	42	-178.5	-60	-176.9	-15	0	0	114.3	E570	Q568-E570 PolarHBondContact O-N 2.72Å
569	N	83	Confident	84	Confident	152 Å²	152	55.5 Å²	55.5	81%	0.813	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	6.1	-176.1	-62.6	-14.5	0	0	0	116.1	Y567	Y567-N569 VanDerWaalsContact C-N 3.27Å; Y567-N569 PolarHBondContact O-N 3.01Å
570	E	85.2	Confident	84.7	Confident	92 Å²	92	58.3 Å²	58.3	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	150.6	169.5	-66.4	-163.5	139.7	0	0	110.9	I566 Y567 Q568 R620	I566-E570 CarbonylContact C-O 3.5Å; I566-E570 WeakPolarHBondContact CA-O 3.42Å; Y567-E570 PolarHBondContact N-O 3.13Å; Y567-E570 PolarHBondContact O-N 2.96Å; Y567-E570 VanDerWaalsContact O-O 3.1Å; Q568-E570 PolarHBondContact O-N 2.72Å; E570-R620 VanDerWaalsContact CD-NH1 3.34Å; E570-R620 IonicContact OE1-CZ 2.67Å; E570-R620 IonicContact OE1-NH1 3.86Å; E570-R620 PolarHBondContact OE1-NH1 2.95Å; E570-R620 IonicContact OE1-NH2 3.9Å; E570-R620 IonicContact OE2-NH1 3.66Å; E570-R620 PolarHBondContact OE2-NH1 3.37Å
571	V	87.5	Confident	85	Confident	41 Å²	41	52.8 Å²	52.8	25%	0.248	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.7	170.8	179.8	0	0	0	0	108.3	I528 V553 Y565 Y621	I528-V571 HydrophobicContact CD1-CG1 4.01Å; I528-V571 HydrophobicContact CD1-CG2 4.5Å; V553-V571 HydrophobicContact CG1-CG1 3.89Å; V553-V571 HydrophobicContact CG1-CG2 4.28Å; V553-V571 HydrophobicContact CG2-CG2 4.38Å; Y565-V571 WeakPolarHBondContact O-CA 3.33Å; V571-Y621 HydrophobicContact CB-CD1 4.2Å; V571-Y621 HydrophobicContact CB-CG 4.18Å; V571-Y621 HydrophobicContact CG1-CD1 3.96Å; V571-Y621 HydrophobicContact CG1-CD2 3.98Å; V571-Y621 HydrophobicContact CG1-CG 3.64Å; V571-Y621 WeakPolarHBondContact O-CB 3.36Å; V571-Y621 PolarHBondContact O-N 2.89Å
572	V	90.2	Very high	85.4	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.4	178.1	-59.7	0	0	0	0	110.5	L525 F564 Y565 I606 I618 W619	L525-V572 HydrophobicContact CD2-CG2 4.26Å; F564-V572 WeakPolarHBondContact CA-O 3.39Å; Y565-V572 PolarHBondContact N-O 3.09Å; Y565-V572 PolarHBondContact O-N 2.82Å; V572-I606 HydrophobicContact CB-CD1 4.2Å; V572-I606 HydrophobicContact CG1-CD1 3.37Å; V572-I618 HydrophobicContact CB-CG2 3.75Å; V572-I618 HydrophobicContact CG1-CG2 4.21Å; V572-I618 HydrophobicContact CG2-CG2 3.71Å; V572-W619 WeakPolarHBondContact CA-O 3.43Å; V572-W619 WeakPolarHBondContact CB-O 3.44Å
573	A	89.8	Confident	85.4	Confident	9 Å²	9	58 Å²	58	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.7	172	0	0	0	0	0	108.9	F564 W619	F564-A573 HydrophobicContact CD1-CB 4.12Å; F564-A573 HydrophobicContact CE1-CB 3.98Å; A573-W619 PolarHBondContact N-O 2.84Å; A573-W619 PolarHBondContact O-N 3.12Å
574	A	89.4	Confident	85.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.9	177.7	0	0	0	0	0	109.9	F562 I563 Y565 L616 S617 I618	F562-A574 WeakPolarHBondContact CA-O 3.47Å; I563-A574 PolarHBondContact N-O 3.03Å; I563-A574 PolarHBondContact O-N 3.35Å; Y565-A574 HydrophobicContact CD2-CB 3.68Å; Y565-A574 HydrophobicContact CE2-CB 3.77Å; A574-L616 HydrophobicContact CB-CB 4.35Å; A574-L616 HydrophobicContact CB-CD1 4.3Å; A574-S617 CarbonylContact C-O 3.45Å; A574-S617 WeakPolarHBondContact CA-O 3.11Å; A574-I618 HydrophobicContact CB-CD1 3.56Å
575	N	88.3	Confident	85.1	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.032	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.6	175	-57.7	8.3	0	0	0	109.1	R561 F562 L616 S617 D685	R561-N575 WeakPolarHBondContact O-CA 3.31Å; F562-N575 WeakPolarHBondContact CD1-OD1 3.44Å; F562-N575 VanDerWaalsContact CE1-CG 3.41Å; F562-N575 WeakPolarHBondContact CE1-OD1 3.12Å; N575-L616 VanDerWaalsContact O-CA 3.26Å; N575-L616 WeakPolarHBondContact O-CA 3.35Å; N575-S617 WeakPolarHBondContact CB-OG 3.42Å; N575-S617 PolarHBondContact N-O 3.21Å; N575-S617 PolarHBondContact O-N 3.15Å; N575-S617 VanDerWaalsContact O-N 3.12Å; N575-D685 PolarHBondContact ND2-OD1 3.01Å
576	K	87.6	Confident	84.9	Confident	45 Å²	45	67.5 Å²	67.5	20%	0.196	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.3	174.6	-58.5	175.5	-174.2	179.3	0	110.1	E558 R561 L616	E558-K576 IonicContact OE1-NZ 2.76Å; E558-K576 PolarHBondContact OE1-NZ 2.86Å; R561-K576 PolarHBondContact O-N 2.9Å; K576-L616 HydrophobicContact CB-CD2 4.5Å; K576-L616 HydrophobicContact CG-CD2 4.05Å
577	H	86.6	Confident	84.7	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.028	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.9	172.4	-61.1	-73	0	0	0	111	L615 S617 V691 D695	H577-L615 HydrophobicContact CB-CB 4.14Å; H577-L615 HydrophobicContact CB-CD2 4.3Å; H577-L615 HydrophobicContact CB-CG 4.29Å; H577-L615 PolarHBondContact N-O 2.95Å; H577-S617 VanDerWaalsContact NE2-CB 3.29Å; H577-S617 WeakPolarHBondContact NE2-CB 3.48Å; H577-S617 PolarHBondContact NE2-OG 3.15Å; H577-V691 HydrophobicContact CB-CG1 3.65Å; H577-V691 VanDerWaalsContact CG-CG1 3.43Å; H577-D695 WeakPolarHBondContact CA-OD1 3.25Å; H577-D695 IonicContact CE1-OD2 3.72Å; H577-D695 IonicContact CG-OD2 3.43Å; H577-D695 IonicContact ND1-OD1 2.77Å; H577-D695 IonicContact ND1-OD2 3.68Å; H577-D695 PolarHBondContact ND1-OD2 2.83Å
578	D	81.4	Confident	84.6	Confident	95 Å²	95	70.5 Å²	70.5	51%	0.508	35%	0.349	S	S	.	.	S	Bend	trans	-80	-25	-177.1	-69.8	-36.2	0	0	0	112.4	D695 K696	D578-D695 PolarHBondContact N-OD1 2.9Å; D578-K696 PolarHBondContact OD2-N 3.29Å
579	F	80.1	Confident	84.6	Confident	85 Å²	85	65.4 Å²	65.4	37%	0.373	33%	0.33	S	S	.	.			trans	-119	146.4	-173.6	-175.3	-106.3	0	0	0	112.9	P581 L615 M694	F579-P581 HydrophobicContact CD1-CB 4.45Å; F579-P581 HydrophobicContact CE1-CB 3.96Å; F579-L615 VanDerWaalsContact O-CD2 3.31Å; F579-L615 WeakPolarHBondContact O-CD2 3.41Å; F579-M694 HydrophobicContact CB-CB 3.55Å; F579-M694 HydrophobicContact CB-CG 4.28Å; F579-M694 HydrophobicContact CD1-CB 4.07Å; F579-M694 HydrophobicContact CD1-CE 4.49Å; F579-M694 HydrophobicContact CD1-CG 3.86Å; F579-M694 HydrophobicContact CD2-CE 3.91Å; F579-M694 HydrophobicContact CE1-CE 4.45Å; F579-M694 HydrophobicContact CE1-CG 4.34Å; F579-M694 HydrophobicContact CE2-CE 3.87Å; F579-M694 HydrophobicContact CG-CB 3.82Å; F579-M694 HydrophobicContact CG-CE 4.24Å; F579-M694 HydrophobicContact CG-CG 4Å; F579-M694 HydrophobicContact CZ-CE 4.15Å
580	R	82.4	Confident	84.7	Confident	121 Å²	121	62.9 Å²	62.9	46%	0.457	31%	0.313	S	S	.	.			trans	-121.9	104.1	178	-178.1	178.8	-75.5	154.9	0.2	110.7	L610 S612	R580-L610 PolarHBondContact NE-O 3.14Å; R580-L610 PolarHBondContact NH2-O 3.11Å; R580-S612 PolarHBondContact NH2-O 3.46Å
581	P	74.6	Confident	84.9	Confident	27 Å²	27	58.8 Å²	58.8	18%	0.175	29%	0.294	C	S	.	.			trans	-80.2	163.4	179.4	31.9	-34.1	0	0	0	113.1	F579 L583 V691	F579-P581 HydrophobicContact CD1-CB 4.45Å; F579-P581 HydrophobicContact CE1-CB 3.96Å; P581-L583 HydrophobicContact CG-CD2 4.47Å; P581-V691 HydrophobicContact CG-CG2 3.75Å
582	Q	80.1	Confident	84.9	Confident	185 Å²	185	59.5 Å²	59.5	86%	0.864	29%	0.292	S	S	*	.			trans	-89.1	115.6	166.2	-69.3	-172.8	6.2	0	0	109.6	T584	Q582-T584 PolarHBondContact O-N 3.13Å
583	L	81.2	Confident	84.8	Confident	32 Å²	32	63.1 Å²	63.1	17%	0.168	31%	0.309	C	S	.	.			trans	-80.3	112.7	-175.3	-60.4	170.1	0	0	0	112.4	W518 P581 E587 R588 L591 L608 L610	W518-L583 HydrophobicContact CH2-CD1 3.63Å; W518-L583 HydrophobicContact CZ3-CD1 3.88Å; P581-L583 HydrophobicContact CG-CD2 4.47Å; L583-E587 WeakPolarHBondContact CA-OE2 3.44Å; L583-E587 HydrophobicContact CB-CB 4.48Å; L583-E587 HydrophobicContact CD2-CB 4.03Å; L583-R588 HydrophobicContact CB-CG 4.2Å; L583-R588 PolarHBondContact O-NE 2.67Å; L583-L591 HydrophobicContact CD1-CD1 3.7Å; L583-L591 HydrophobicContact CD2-CD1 4.06Å; L583-L591 HydrophobicContact CG-CD1 4.49Å; L583-L608 HydrophobicContact CD1-CD1 4.42Å; L583-L610 HydrophobicContact CD1-CD1 4.27Å; L583-L610 HydrophobicContact CD1-CD2 4.41Å
584	T	84.7	Confident	84.8	Confident	76 Å²	76	62.9 Å²	62.9	47%	0.466	31%	0.307	S	S	.	.			trans	-67.5	164	167.9	63.3	0	0	0	0	112.2	Q582 V586 E587 R588	Q582-T584 PolarHBondContact O-N 3.13Å; T584-V586 PolarHBondContact O-N 2.93Å; T584-E587 WeakPolarHBondContact CB-OE2 3.32Å; T584-E587 WeakPolarHBondContact CG2-OE2 3.27Å; T584-E587 PolarHBondContact N-OE2 2.79Å; T584-E587 PolarHBondContact O-N 2.84Å; T584-E587 VanDerWaalsContact O-N 3.15Å; T584-E587 WeakPolarHBondContact OG1-CG 3.45Å; T584-E587 PolarHBondContact OG1-N 3.38Å; T584-E587 PolarHBondContact OG1-OE2 2.86Å; T584-R588 WeakPolarHBondContact O-CG 3.37Å; T584-R588 PolarHBondContact O-N 2.92Å
585	D	82.9	Confident	84.8	Confident	126 Å²	126	65.6 Å²	65.6	67%	0.674	32%	0.317	S	S	*	.	H	α-helix	trans	-61.3	-28.3	177.5	-69.3	-29.4	0	0	0	112.9	S589	D585-S589 WeakPolarHBondContact O-CB 3.19Å; D585-S589 PolarHBondContact O-N 2.64Å
586	V	84.7	Confident	84.8	Confident	97 Å²	97	69.3 Å²	69.3	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-68.5	-49.7	174.2	-179.2	0	0	0	0	109.9	T584 R588 S589 E590	T584-V586 PolarHBondContact O-N 2.93Å; V586-R588 VanDerWaalsContact C-N 3.33Å; V586-R588 PolarHBondContact O-N 2.81Å; V586-S589 CarbonylContact O-C 3.25Å; V586-S589 WeakPolarHBondContact O-CA 3.15Å; V586-S589 WeakPolarHBondContact O-CB 3.17Å; V586-S589 PolarHBondContact O-N 3.06Å; V586-E590 PolarHBondContact O-N 2.93Å
587	E	83.8	Confident	84.9	Confident	37 Å²	37	68.4 Å²	68.4	17%	0.173	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-37.6	177.6	-69.5	162.9	123.3	0	0	111.9	L583 T584 S589 E590 L591	L583-E587 WeakPolarHBondContact CA-OE2 3.44Å; L583-E587 HydrophobicContact CB-CB 4.48Å; L583-E587 HydrophobicContact CD2-CB 4.03Å; T584-E587 WeakPolarHBondContact CB-OE2 3.32Å; T584-E587 WeakPolarHBondContact CG2-OE2 3.27Å; T584-E587 PolarHBondContact N-OE2 2.79Å; T584-E587 PolarHBondContact O-N 2.84Å; T584-E587 VanDerWaalsContact O-N 3.15Å; T584-E587 WeakPolarHBondContact OG1-CG 3.45Å; T584-E587 PolarHBondContact OG1-N 3.38Å; T584-E587 PolarHBondContact OG1-OE2 2.86Å; E587-S589 VanDerWaalsContact C-N 3.29Å; E587-S589 PolarHBondContact O-N 2.74Å; E587-E590 PolarHBondContact O-N 3.26Å; E587-L591 VanDerWaalsContact O-CG 3.31Å; E587-L591 WeakPolarHBondContact O-CG 3.35Å; E587-L591 PolarHBondContact O-N 3.25Å
588	R	86.5	Confident	85	Confident	103 Å²	103	74.3 Å²	74.3	39%	0.389	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-38.8	172	-66.5	179.1	-171.2	-167.6	0.4	111.4	W518 L583 T584 V586 L591 R592	W518-R588 HydrophobicContact CH2-CG 4.5Å; W518-R588 HydrophobicContact CZ2-CB 4.35Å; W518-R588 HydrophobicContact CZ2-CG 3.91Å; L583-R588 HydrophobicContact CB-CG 4.2Å; L583-R588 PolarHBondContact O-NE 2.67Å; T584-R588 WeakPolarHBondContact O-CG 3.37Å; T584-R588 PolarHBondContact O-N 2.92Å; V586-R588 VanDerWaalsContact C-N 3.33Å; V586-R588 PolarHBondContact O-N 2.81Å; R588-L591 PolarHBondContact O-N 2.86Å; R588-R592 WeakPolarHBondContact O-CG 3.38Å; R588-R592 PolarHBondContact O-N 3.05Å
589	S	86	Confident	85.6	Confident	38 Å²	38	71.8 Å²	71.8	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-41.4	173.2	-161.8	0	0	0	0	112.4	D585 V586 E587 R592 Q593	D585-S589 WeakPolarHBondContact O-CB 3.19Å; D585-S589 PolarHBondContact O-N 2.64Å; V586-S589 CarbonylContact O-C 3.25Å; V586-S589 WeakPolarHBondContact O-CA 3.15Å; V586-S589 WeakPolarHBondContact O-CB 3.17Å; V586-S589 PolarHBondContact O-N 3.06Å; E587-S589 VanDerWaalsContact C-N 3.29Å; E587-S589 PolarHBondContact O-N 2.74Å; S589-R592 VanDerWaalsContact CA-NH2 3.25Å; S589-R592 VanDerWaalsContact CB-NH2 3.33Å; S589-R592 PolarHBondContact O-N 3.2Å; S589-R592 PolarHBondContact OG-NH2 3.33Å; S589-Q593 WeakPolarHBondContact O-CB 3.44Å; S589-Q593 VanDerWaalsContact O-CG 3.27Å; S589-Q593 WeakPolarHBondContact O-CG 3.35Å; S589-Q593 PolarHBondContact O-N 2.93Å; S589-Q593 PolarHBondContact O-NE2 3.37Å; S589-Q593 PolarHBondContact OG-NE2 3.41Å
590	E	86.4	Confident	86.1	Confident	98 Å²	98	72.9 Å²	72.9	46%	0.458	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-40.3	174.5	-71.1	179.3	-176.4	0	0	111.7	V586 E587 Q593 M594 M661	V586-E590 PolarHBondContact O-N 2.93Å; E587-E590 PolarHBondContact O-N 3.26Å; E590-Q593 CarbonylContact O-C 3.6Å; E590-Q593 PolarHBondContact O-N 2.85Å; E590-M594 VanDerWaalsContact O-CB 3.22Å; E590-M594 WeakPolarHBondContact O-CB 3.33Å; E590-M594 PolarHBondContact O-N 3.34Å; E590-M661 WeakPolarHBondContact O-CE 3.35Å
591	L	88.5	Confident	86.7	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-41.8	175.5	-70.3	173.1	0	0	0	112.2	W518 L583 E587 R588 Q593 M594 R595 F605 L608 L688	W518-L591 HydrophobicContact CD2-CB 4.08Å; W518-L591 HydrophobicContact CD2-CD1 4.13Å; W518-L591 HydrophobicContact CE3-CB 4.48Å; W518-L591 HydrophobicContact CE3-CD1 3.8Å; W518-L591 HydrophobicContact CG-CB 4.18Å; W518-L591 HydrophobicContact CH2-CD1 4Å; W518-L591 HydrophobicContact CZ2-CD1 4.28Å; W518-L591 HydrophobicContact CZ3-CD1 3.73Å; L583-L591 HydrophobicContact CD1-CD1 3.7Å; L583-L591 HydrophobicContact CD2-CD1 4.06Å; L583-L591 HydrophobicContact CG-CD1 4.49Å; E587-L591 VanDerWaalsContact O-CG 3.31Å; E587-L591 WeakPolarHBondContact O-CG 3.35Å; E587-L591 PolarHBondContact O-N 3.25Å; R588-L591 PolarHBondContact O-N 2.86Å; L591-Q593 VanDerWaalsContact C-N 3.31Å; L591-Q593 PolarHBondContact O-N 3.44Å; L591-M594 HydrophobicContact CD2-CE 3.93Å; L591-M594 PolarHBondContact O-N 2.93Å; L591-R595 WeakPolarHBondContact O-CB 3.49Å; L591-R595 PolarHBondContact O-N 3.02Å; L591-F605 HydrophobicContact CD2-CE1 4.06Å; L591-F605 HydrophobicContact CD2-CZ 4.1Å; L591-L608 HydrophobicContact CD1-CD1 3.87Å; L591-L608 HydrophobicContact CD2-CD1 3.97Å; L591-L608 HydrophobicContact CD2-CG 4.26Å; L591-L688 HydrophobicContact CD2-CD2 3.67Å
592	R	87.8	Confident	87.7	Confident	56 Å²	56	66.6 Å²	66.6	21%	0.211	34%	0.341	C	S	.	.	H	α-helix	trans	-58.8	-44.9	172.5	-74.5	-172.4	-59	-96.2	4	111	D515 R588 S589 S596	D515-R592 WeakPolarHBondContact OD1-CD 3.01Å; D515-R592 WeakPolarHBondContact OD1-CG 3.05Å; D515-R592 IonicContact OD1-CZ 3.47Å; D515-R592 IonicContact OD1-NE 3.58Å; D515-R592 IonicContact OD1-NH1 3.44Å; D515-R592 PolarHBondContact OD1-NH1 3.44Å; D515-R592 IonicContact OD2-NH1 2.75Å; D515-R592 PolarHBondContact OD2-NH1 3.34Å; R588-R592 WeakPolarHBondContact O-CG 3.38Å; R588-R592 PolarHBondContact O-N 3.05Å; S589-R592 VanDerWaalsContact CA-NH2 3.25Å; S589-R592 VanDerWaalsContact CB-NH2 3.33Å; S589-R592 PolarHBondContact O-N 3.2Å; S589-R592 PolarHBondContact OG-NH2 3.33Å; R592-S596 PolarHBondContact O-N 3.47Å; R592-S596 VanDerWaalsContact O-N 3.08Å; R592-S596 PolarHBondContact O-OG 2.94Å
593	Q	87.9	Confident	88.4	Confident	77 Å²	77	57.9 Å²	57.9	36%	0.36	30%	0.3	S	S	.	.	H	α-helix	trans	-67.6	-42.9	177.3	-73.4	174.6	70.5	0	0	111.9	S589 E590 L591 R595 S596 L597 M661	S589-Q593 WeakPolarHBondContact O-CB 3.44Å; S589-Q593 VanDerWaalsContact O-CG 3.27Å; S589-Q593 WeakPolarHBondContact O-CG 3.35Å; S589-Q593 PolarHBondContact O-N 2.93Å; S589-Q593 PolarHBondContact O-NE2 3.37Å; S589-Q593 PolarHBondContact OG-NE2 3.41Å; E590-Q593 CarbonylContact O-C 3.6Å; E590-Q593 PolarHBondContact O-N 2.85Å; L591-Q593 VanDerWaalsContact C-N 3.31Å; L591-Q593 PolarHBondContact O-N 3.44Å; Q593-R595 VanDerWaalsContact C-N 3.34Å; Q593-R595 PolarHBondContact O-N 3.42Å; Q593-S596 WeakPolarHBondContact CA-OG 3.48Å; Q593-S596 CarbonylContact O-C 3.54Å; Q593-S596 WeakPolarHBondContact O-CA 3.43Å; Q593-S596 PolarHBondContact O-N 3.11Å; Q593-S596 PolarHBondContact O-OG 3.27Å; Q593-L597 WeakPolarHBondContact O-CG 3.41Å; Q593-L597 PolarHBondContact O-N 3.45Å; Q593-M661 HydrophobicContact CB-CE 3.91Å; Q593-M661 HydrophobicContact CB-CG 4.32Å
594	M	89.5	Confident	88.9	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-38.6	179.8	-167	171.7	75.3	0	0	111.4	E590 L591 S596 L597 F605 M661 F686 L688	E590-M594 VanDerWaalsContact O-CB 3.22Å; E590-M594 WeakPolarHBondContact O-CB 3.33Å; E590-M594 PolarHBondContact O-N 3.34Å; L591-M594 HydrophobicContact CD2-CE 3.93Å; L591-M594 PolarHBondContact O-N 2.93Å; M594-S596 VanDerWaalsContact C-N 3.3Å; M594-L597 WeakPolarHBondContact O-CB 3.42Å; M594-L597 PolarHBondContact O-N 3.21Å; M594-F605 HydrophobicContact CB-CD1 4.34Å; M594-F605 HydrophobicContact CE-CB 4.27Å; M594-F605 HydrophobicContact CE-CD1 3.26Å; M594-F605 HydrophobicContact CE-CD2 3.58Å; M594-F605 HydrophobicContact CE-CE1 3.23Å; M594-F605 HydrophobicContact CE-CE2 3.55Å; M594-F605 HydrophobicContact CE-CG 3.41Å; M594-F605 VanDerWaalsContact CE-CG 3.41Å; M594-F605 HydrophobicContact CE-CZ 3.36Å; M594-F605 HydrophobicContact CG-CB 4.26Å; M594-F605 HydrophobicContact CG-CD1 4.13Å; M594-F605 HydrophobicContact CG-CG 4.29Å; M594-M661 HydrophobicContact CB-CE 3.82Å; M594-M661 HydrophobicContact CG-CE 4.49Å; M594-F686 HydrophobicContact CG-CD2 4.25Å; M594-F686 HydrophobicContact CG-CE2 3.82Å; M594-F686 HydrophobicContact SD-CD2 4.33Å; M594-F686 HydrophobicContact SD-CE2 4.41Å; M594-L688 HydrophobicContact CE-CD1 4.24Å; M594-L688 HydrophobicContact CE-CD2 3.85Å; M594-L688 HydrophobicContact CE-CG 3.78Å; M594-L688 HydrophobicContact SD-CG 4.44Å
595	R	89.1	Confident	89.3	Confident	57 Å²	57	55.7 Å²	55.7	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-31.9	171.2	-179.7	177.1	169.9	120.5	-14	112	L517 W518 L591 Q593 K604 F605 I606	L517-R595 VanDerWaalsContact C-CZ 3.43Å; L517-R595 PolarHBondContact O-NH1 3.41Å; L517-R595 PolarHBondContact O-NH2 3.43Å; W518-R595 HydrophobicContact CB-CB 4.45Å; L591-R595 WeakPolarHBondContact O-CB 3.49Å; L591-R595 PolarHBondContact O-N 3.02Å; Q593-R595 VanDerWaalsContact C-N 3.34Å; Q593-R595 PolarHBondContact O-N 3.42Å; R595-K604 WeakPolarHBondContact O-CE 3.4Å; R595-K604 PolarHBondContact O-NZ 2.99Å; R595-F605 HydrophobicContact CB-CD1 4.31Å; R595-I606 PolarHBondContact NH1-O 2.85Å
596	S	88.3	Confident	89.7	Confident	84 Å²	84	50.8 Å²	50.8	59%	0.587	26%	0.256	S	S	*	.	H	α-helix	trans	-81.1	-18.5	176.7	72.4	0	0	0	0	113.5	R592 Q593 M594 D598	R592-S596 PolarHBondContact O-N 3.47Å; R592-S596 VanDerWaalsContact O-N 3.08Å; R592-S596 PolarHBondContact O-OG 2.94Å; Q593-S596 WeakPolarHBondContact CA-OG 3.48Å; Q593-S596 CarbonylContact O-C 3.54Å; Q593-S596 WeakPolarHBondContact O-CA 3.43Å; Q593-S596 PolarHBondContact O-N 3.11Å; Q593-S596 PolarHBondContact O-OG 3.27Å; M594-S596 VanDerWaalsContact C-N 3.3Å; S596-D598 PolarHBondContact O-N 3.38Å
597	L	90	Very high	90	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.136	23%	0.228	C	C	.	.			trans	-56	124.7	172.9	-66.5	-177.8	0	0	0	109.8	Q593 M594 K604 F656 M661 L662 F686	Q593-L597 WeakPolarHBondContact O-CG 3.41Å; Q593-L597 PolarHBondContact O-N 3.45Å; M594-L597 WeakPolarHBondContact O-CB 3.42Å; M594-L597 PolarHBondContact O-N 3.21Å; L597-K604 PolarHBondContact O-NZ 2.65Å; L597-F656 HydrophobicContact CB-CE1 4.5Å; L597-F656 HydrophobicContact CD2-CE1 3.95Å; L597-F656 HydrophobicContact CD2-CZ 4.08Å; L597-M661 HydrophobicContact CD1-CE 4.24Å; L597-L662 HydrophobicContact CD1-CD1 3.67Å; L597-L662 HydrophobicContact CD1-CG 4.2Å; L597-F686 HydrophobicContact CD1-CE2 4.17Å
598	D	89.2	Confident	90.4	Very high	129 Å²	129	44.4 Å²	44.4	69%	0.69	22%	0.22	S	C	*	.			trans	-140.2	121.4	177.5	-163.6	20.9	0	0	0	107.9	S596	S596-D598 PolarHBondContact O-N 3.38Å
599	H	93.1	Very high	90.5	Very high	43 Å²	43	39.5 Å²	39.5	20%	0.199	20%	0.202	C	C	.	.			trans	-156.8	140.4	-178.1	-177.3	-88.9	0	0	0	108	N601 L602 F656	H599-N601 PolarHBondContact ND1-N 2.83Å; H599-N601 PolarHBondContact O-N 3.29Å; H599-N601 VanDerWaalsContact O-N 3.09Å; H599-L602 HydrophobicContact CB-CB 4.15Å; H599-L602 HydrophobicContact CB-CD1 4.27Å; H599-L602 HydrophobicContact CB-CG 3.98Å; H599-L602 PolarHBondContact O-N 2.89Å; H599-F656 HydrophobicContact CB-CD1 3.95Å; H599-F656 HydrophobicContact CB-CD2 4.27Å; H599-F656 HydrophobicContact CB-CE1 4.01Å; H599-F656 HydrophobicContact CB-CE2 4.35Å; H599-F656 HydrophobicContact CB-CG 4.06Å; H599-F656 HydrophobicContact CB-CZ 4.21Å; H599-F656 AromaticContact CD2-CD2 3.39Å; H599-F656 WeakPolarHBondContact CD2-CD2 3.24Å; H599-F656 AromaticContact CD2-CG 3.54Å; H599-F656 AromaticContact CG-CD2 3.97Å; H599-F656 AromaticContact CG-CG 3.75Å
600	D	92	Very high	90.6	Very high	107 Å²	107	39.7 Å²	39.7	57%	0.572	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.7	-174.1	-67	-22.5	0	0	0	112.5	K682	D600-K682 PolarHBondContact O-NZ 3.46Å
601	N	95	Very high	90.4	Very high	9 Å²	9	40 Å²	40	5%	0.048	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	16.5	-179.6	-51.9	116.5	0	0	0	115.5	H599 D649 N652 V681 I683	H599-N601 PolarHBondContact ND1-N 2.83Å; H599-N601 PolarHBondContact O-N 3.29Å; H599-N601 VanDerWaalsContact O-N 3.09Å; N601-D649 WeakPolarHBondContact CB-O 3.49Å; N601-D649 WeakPolarHBondContact ND2-CB 3.42Å; N601-D649 PolarHBondContact ND2-OD1 2.71Å; N601-D649 PolarHBondContact ND2-OD2 3.34Å; N601-N652 VanDerWaalsContact OD1-CB 3.32Å; N601-N652 WeakPolarHBondContact OD1-CB 3.35Å; N601-V681 WeakPolarHBondContact CA-O 3.43Å; N601-V681 WeakPolarHBondContact CB-O 3.1Å; N601-V681 PolarHBondContact ND2-O 2.82Å; N601-V681 VanDerWaalsContact ND2-O 3.16Å; N601-I683 PolarHBondContact O-N 3.21Å
602	L	95.1	Very high	90.1	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.042	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-114.2	142.6	170	-67.9	-165.9	0	0	0	111	H599 F656 I657 I683 F686	H599-L602 HydrophobicContact CB-CB 4.15Å; H599-L602 HydrophobicContact CB-CD1 4.27Å; H599-L602 HydrophobicContact CB-CG 3.98Å; H599-L602 PolarHBondContact O-N 2.89Å; L602-F656 HydrophobicContact CD1-CD1 3.43Å; L602-F656 VanDerWaalsContact CD1-CD1 3.43Å; L602-F656 HydrophobicContact CD1-CE1 3.69Å; L602-F656 HydrophobicContact CG-CD1 4.19Å; L602-I657 HydrophobicContact CD1-CG1 4.13Å; L602-I657 HydrophobicContact CD2-CD1 3.66Å; L602-I657 HydrophobicContact CD2-CG1 3.79Å; L602-I683 HydrophobicContact CD2-CB 3.88Å; L602-F686 HydrophobicContact CB-CE1 3.85Å; L602-F686 HydrophobicContact CB-CZ 4.22Å; L602-F686 HydrophobicContact CD1-CD1 4.49Å; L602-F686 HydrophobicContact CD1-CE1 4Å; L602-F686 HydrophobicContact CD1-CZ 4.01Å; L602-F686 HydrophobicContact CD2-CD1 4.12Å; L602-F686 HydrophobicContact CD2-CE1 4.04Å; L602-F686 HydrophobicContact CG-CE1 4.19Å
603	N	94	Very high	89.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-78.3	136	171.6	-166.5	20.8	0	0	0	109.8	F605 W619 R620 L674 K682 I683 S684 F686	N603-F605 PolarHBondContact O-N 3.39Å; N603-W619 HydrophobicContact CB-CE3 4.42Å; N603-R620 PolarHBondContact ND2-O 3.33Å; N603-R620 PolarHBondContact OD1-O 3.32Å; N603-L674 WeakPolarHBondContact ND2-CD1 3.43Å; N603-K682 HydrophobicContact CB-CB 4.08Å; N603-I683 PolarHBondContact N-O 3.47Å; N603-S684 PolarHBondContact ND2-OG 2.82Å; N603-F686 WeakPolarHBondContact O-CE1 3.4Å; N603-F686 WeakPolarHBondContact O-CZ 3.11Å
604	K	92.8	Very high	89.7	Confident	62 Å²	62	48.3 Å²	48.3	27%	0.27	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-70.7	118.1	-176	-170.2	70.4	179.2	-178.8	0	110.2	R595 L597 I606 W619 R620	R595-K604 WeakPolarHBondContact O-CE 3.4Å; R595-K604 PolarHBondContact O-NZ 2.99Å; L597-K604 PolarHBondContact O-NZ 2.65Å; K604-I606 PolarHBondContact O-N 3.41Å; K604-W619 WeakPolarHBondContact O-CA 3.26Å; K604-R620 HydrophobicContact CB-CB 4.05Å; K604-R620 PolarHBondContact O-N 3.08Å
605	F	93.1	Very high	89.6	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.2	166	178.1	-108.1	0	0	0	109.6	L591 M594 R595 N603 G607 L608 W619 L688	L591-F605 HydrophobicContact CD2-CE1 4.06Å; L591-F605 HydrophobicContact CD2-CZ 4.1Å; M594-F605 HydrophobicContact CB-CD1 4.34Å; M594-F605 HydrophobicContact CE-CB 4.27Å; M594-F605 HydrophobicContact CE-CD1 3.26Å; M594-F605 HydrophobicContact CE-CD2 3.58Å; M594-F605 HydrophobicContact CE-CE1 3.23Å; M594-F605 HydrophobicContact CE-CE2 3.55Å; M594-F605 HydrophobicContact CE-CG 3.41Å; M594-F605 VanDerWaalsContact CE-CG 3.41Å; M594-F605 HydrophobicContact CE-CZ 3.36Å; M594-F605 HydrophobicContact CG-CB 4.26Å; M594-F605 HydrophobicContact CG-CD1 4.13Å; M594-F605 HydrophobicContact CG-CG 4.29Å; R595-F605 HydrophobicContact CB-CD1 4.31Å; N603-F605 PolarHBondContact O-N 3.39Å; F605-G607 VanDerWaalsContact CE2-O 3.28Å; F605-G607 WeakPolarHBondContact CE2-O 3.13Å; F605-G607 VanDerWaalsContact CZ-CA 3.43Å; F605-G607 WeakPolarHBondContact CZ-O 3.26Å; F605-L608 HydrophobicContact CE2-CD2 4.06Å; F605-L608 HydrophobicContact CZ-CD2 3.84Å; F605-L608 HydrophobicContact CZ-CG 3.95Å; F605-W619 HydrophobicContact CB-CE3 4.05Å; F605-W619 HydrophobicContact CB-CH2 4.15Å; F605-W619 HydrophobicContact CB-CZ3 3.78Å; F605-W619 HydrophobicContact CD2-CD2 4.15Å; F605-W619 AromaticContact CD2-CE2 3.87Å; F605-W619 HydrophobicContact CD2-CE3 4.32Å; F605-W619 AromaticContact CD2-CH2 3.97Å; F605-W619 HydrophobicContact CD2-CH2 3.97Å; F605-W619 AromaticContact CD2-CZ2 3.78Å; F605-W619 HydrophobicContact CD2-CZ2 3.78Å; F605-W619 HydrophobicContact CD2-CZ3 4.24Å; F605-W619 HydrophobicContact CE2-CZ2 4.42Å; F605-W619 HydrophobicContact CG-CH2 4.45Å; F605-W619 HydrophobicContact CG-CZ3 4.49Å; F605-L688 HydrophobicContact CE2-CD1 4.15Å
606	I	91.6	Very high	89.7	Confident	22 Å²	22	46 Å²	46	11%	0.113	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-49	179.5	-63.2	174.2	0	0	0	108.9	V520 Y567 V572 R595 K604 I618	V520-I606 HydrophobicContact CG2-CG2 4.21Å; Y567-I606 HydrophobicContact CD1-CG2 4.12Å; Y567-I606 HydrophobicContact CE1-CG2 3.8Å; V572-I606 HydrophobicContact CB-CD1 4.2Å; V572-I606 HydrophobicContact CG1-CD1 3.37Å; R595-I606 PolarHBondContact NH1-O 2.85Å; K604-I606 PolarHBondContact O-N 3.41Å; I606-I618 HydrophobicContact CB-CB 4.18Å; I606-I618 HydrophobicContact CB-CG2 4.02Å; I606-I618 WeakPolarHBondContact CB-O 3.44Å; I606-I618 HydrophobicContact CD1-CG2 4.12Å; I606-I618 HydrophobicContact CG2-CG2 4.23Å; I606-I618 PolarHBondContact N-O 3.33Å
607	G	90.9	Very high	89.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-173.5	-175.7	0	0	0	0	0	114.5	W518 F605 I618	W518-G607 CarbonylContact O-C 3.48Å; W518-G607 WeakPolarHBondContact O-CA 3.33Å; F605-G607 VanDerWaalsContact CE2-O 3.28Å; F605-G607 WeakPolarHBondContact CE2-O 3.13Å; F605-G607 VanDerWaalsContact CZ-CA 3.43Å; F605-G607 WeakPolarHBondContact CZ-O 3.26Å; G607-I618 PolarHBondContact N-O 3.44Å; G607-I618 PolarHBondContact O-N 3.42Å
608	L	90.6	Very high	89.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.1	173.4	-64.2	-177.1	0	0	0	110.4	W518 V520 L583 L591 F605 L610 L615 L616 L688	W518-L608 PolarHBondContact O-N 3.26Å; V520-L608 PolarHBondContact N-O 2.94Å; L583-L608 HydrophobicContact CD1-CD1 4.42Å; L591-L608 HydrophobicContact CD1-CD1 3.87Å; L591-L608 HydrophobicContact CD2-CD1 3.97Å; L591-L608 HydrophobicContact CD2-CG 4.26Å; F605-L608 HydrophobicContact CE2-CD2 4.06Å; F605-L608 HydrophobicContact CZ-CD2 3.84Å; F605-L608 HydrophobicContact CZ-CG 3.95Å; L608-L610 HydrophobicContact CB-CD2 3.98Å; L608-L610 HydrophobicContact CB-CG 4.44Å; L608-L610 HydrophobicContact CD1-CD2 4.27Å; L608-L615 HydrophobicContact CB-CD1 4.39Å; L608-L616 WeakPolarHBondContact CA-O 3.19Å; L608-L688 HydrophobicContact CD1-CD2 4.27Å; L608-L688 HydrophobicContact CD2-CD1 3.99Å; L608-L688 HydrophobicContact CD2-CD2 4.16Å
609	C	90.3	Very high	90.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	98.7	164.9	-164.9	0	0	0	0	109.5	V520 A522 L525 S612 L616 I618	V520-C609 VanDerWaalsContact O-CA 3.27Å; V520-C609 WeakPolarHBondContact O-CA 3.32Å; V520-C609 PolarHBondContact O-SG 2.89Å; A522-C609 VanDerWaalsContact CA-SG 3.54Å; A522-C609 PolarHBondContact N-SG 3.42Å; A522-C609 VanDerWaalsContact N-SG 3.42Å; L525-C609 HydrophobicContact CD1-CB 4.2Å; C609-S612 PolarHBondContact O-OG 2.94Å; C609-L616 HydrophobicContact CB-CB 3.97Å; C609-L616 HydrophobicContact CB-CD1 4.44Å; C609-L616 PolarHBondContact N-O 3Å; C609-L616 PolarHBondContact O-N 3.03Å; C609-I618 HydrophobicContact CB-CD1 4.48Å
610	L	86.7	Confident	90	Very high	42 Å²	42	38 Å²	38	22%	0.22	18%	0.184	C	C	.	.			trans	-80.2	-22.5	-179.6	-56.7	-179.7	0	0	0	112.1	W518 R580 L583 L608 L615	W518-L610 HydrophobicContact CH2-CD1 4.45Å; W518-L610 HydrophobicContact CZ3-CD1 4.23Å; R580-L610 PolarHBondContact NE-O 3.14Å; R580-L610 PolarHBondContact NH2-O 3.11Å; L583-L610 HydrophobicContact CD1-CD1 4.27Å; L583-L610 HydrophobicContact CD1-CD2 4.41Å; L608-L610 HydrophobicContact CB-CD2 3.98Å; L608-L610 HydrophobicContact CB-CG 4.44Å; L608-L610 HydrophobicContact CD1-CD2 4.27Å; L610-L615 HydrophobicContact CD2-CD1 3.57Å
611	N	83.9	Confident	89.9	Confident	105 Å²	105	34.5 Å²	34.5	56%	0.561	16%	0.163	S	C	*	.	S	Bend	trans	-100.1	13.6	-170.2	-63.1	-10.6	0	0	0	114.4
612	S	81.7	Confident	89.6	Confident	24 Å²	24	34.3 Å²	34.3	17%	0.168	16%	0.162	C	C	.	.	S	Bend	trans	-90.7	173.8	173.2	43.8	0	0	0	0	112.7	R580 C609 Q614	R580-S612 PolarHBondContact NH2-O 3.46Å; C609-S612 PolarHBondContact O-OG 2.94Å; S612-Q614 CarbonylContact C-O 3.56Å; S612-Q614 WeakPolarHBondContact CB-O 3.44Å; S612-Q614 PolarHBondContact O-N 3.06Å; S612-Q614 PolarHBondContact OG-O 3.28Å
613	Q	82.4	Confident	89	Confident	203 Å²	203	35.8 Å²	35.8	95%	0.949	17%	0.173	S	C	*	.	S	Bend	trans	-59.9	-43.9	178.3	-72.6	-176.1	-2.1	0	0	112.4
614	Q	83.7	Confident	88.4	Confident	87 Å²	87	38.1 Å²	38.1	41%	0.407	18%	0.182	S	C	.	.	S	Bend	trans	-109.7	160.3	168.7	-68.4	-179.6	-42.9	0	0	109	S612 L616	S612-Q614 CarbonylContact C-O 3.56Å; S612-Q614 WeakPolarHBondContact CB-O 3.44Å; S612-Q614 PolarHBondContact O-N 3.06Å; S612-Q614 PolarHBondContact OG-O 3.28Å; Q614-L616 PolarHBondContact O-N 3.46Å
615	L	88.1	Confident	88	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.3	170	173.2	66	0	0	0	108.7	H577 F579 L608 L610 V691	H577-L615 HydrophobicContact CB-CB 4.14Å; H577-L615 HydrophobicContact CB-CD2 4.3Å; H577-L615 HydrophobicContact CB-CG 4.29Å; H577-L615 PolarHBondContact N-O 2.95Å; F579-L615 VanDerWaalsContact O-CD2 3.31Å; F579-L615 WeakPolarHBondContact O-CD2 3.41Å; L608-L615 HydrophobicContact CB-CD1 4.39Å; L610-L615 HydrophobicContact CD2-CD1 3.57Å; L615-V691 HydrophobicContact CD2-CB 4.47Å; L615-V691 HydrophobicContact CD2-CG1 3.57Å; L615-V691 HydrophobicContact CD2-CG2 3.99Å
616	L	90.7	Very high	87.8	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.9	176.2	-54.1	172.4	0	0	0	110.8	L525 Y565 A574 N575 K576 L608 C609 Q614 I618	L525-L616 HydrophobicContact CD1-CD1 4.3Å; Y565-L616 HydrophobicContact CE2-CD1 4.18Å; A574-L616 HydrophobicContact CB-CB 4.35Å; A574-L616 HydrophobicContact CB-CD1 4.3Å; N575-L616 VanDerWaalsContact O-CA 3.26Å; N575-L616 WeakPolarHBondContact O-CA 3.35Å; K576-L616 HydrophobicContact CB-CD2 4.5Å; K576-L616 HydrophobicContact CG-CD2 4.05Å; L608-L616 WeakPolarHBondContact CA-O 3.19Å; C609-L616 HydrophobicContact CB-CB 3.97Å; C609-L616 HydrophobicContact CB-CD1 4.44Å; C609-L616 PolarHBondContact N-O 3Å; C609-L616 PolarHBondContact O-N 3.03Å; Q614-L616 PolarHBondContact O-N 3.46Å; L616-I618 HydrophobicContact CB-CD1 3.89Å
617	S	91.3	Very high	87.8	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.5	162.2	59.7	0	0	0	0	109.5	A574 N575 H577 W619	A574-S617 CarbonylContact C-O 3.45Å; A574-S617 WeakPolarHBondContact CA-O 3.11Å; N575-S617 WeakPolarHBondContact CB-OG 3.42Å; N575-S617 PolarHBondContact N-O 3.21Å; N575-S617 PolarHBondContact O-N 3.15Å; N575-S617 VanDerWaalsContact O-N 3.12Å; H577-S617 VanDerWaalsContact NE2-CB 3.29Å; H577-S617 WeakPolarHBondContact NE2-CB 3.48Å; H577-S617 PolarHBondContact NE2-OG 3.15Å; S617-W619 VanDerWaalsContact O-CD1 3.31Å; S617-W619 PolarHBondContact OG-NE1 3.11Å
618	I	92	Very high	87.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.7	-173.3	-48.4	-58.1	0	0	0	108.7	V520 L525 V572 A574 I606 G607 C609 L616	V520-I618 HydrophobicContact CB-CG1 4.36Å; V520-I618 HydrophobicContact CG1-CG1 4.33Å; V520-I618 HydrophobicContact CG2-CG1 4.36Å; L525-I618 HydrophobicContact CD1-CD1 3.89Å; L525-I618 HydrophobicContact CD2-CD1 4.33Å; V572-I618 HydrophobicContact CB-CG2 3.75Å; V572-I618 HydrophobicContact CG1-CG2 4.21Å; V572-I618 HydrophobicContact CG2-CG2 3.71Å; A574-I618 HydrophobicContact CB-CD1 3.56Å; I606-I618 HydrophobicContact CB-CB 4.18Å; I606-I618 HydrophobicContact CB-CG2 4.02Å; I606-I618 WeakPolarHBondContact CB-O 3.44Å; I606-I618 HydrophobicContact CD1-CG2 4.12Å; I606-I618 HydrophobicContact CG2-CG2 4.23Å; I606-I618 PolarHBondContact N-O 3.33Å; G607-I618 PolarHBondContact N-O 3.44Å; G607-I618 PolarHBondContact O-N 3.42Å; C609-I618 HydrophobicContact CB-CD1 4.48Å; L616-I618 HydrophobicContact CB-CD1 3.89Å
619	W	92.9	Very high	87.5	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	153.7	-176.9	-58.1	84.7	0	0	0	110.4	V572 A573 N603 K604 F605 S617 F686 L688	V572-W619 WeakPolarHBondContact CA-O 3.43Å; V572-W619 WeakPolarHBondContact CB-O 3.44Å; A573-W619 PolarHBondContact N-O 2.84Å; A573-W619 PolarHBondContact O-N 3.12Å; N603-W619 HydrophobicContact CB-CE3 4.42Å; K604-W619 WeakPolarHBondContact O-CA 3.26Å; F605-W619 HydrophobicContact CB-CE3 4.05Å; F605-W619 HydrophobicContact CB-CH2 4.15Å; F605-W619 HydrophobicContact CB-CZ3 3.78Å; F605-W619 HydrophobicContact CD2-CD2 4.15Å; F605-W619 AromaticContact CD2-CE2 3.87Å; F605-W619 HydrophobicContact CD2-CE3 4.32Å; F605-W619 AromaticContact CD2-CH2 3.97Å; F605-W619 HydrophobicContact CD2-CH2 3.97Å; F605-W619 AromaticContact CD2-CZ2 3.78Å; F605-W619 HydrophobicContact CD2-CZ2 3.78Å; F605-W619 HydrophobicContact CD2-CZ3 4.24Å; F605-W619 HydrophobicContact CE2-CZ2 4.42Å; F605-W619 HydrophobicContact CG-CH2 4.45Å; F605-W619 HydrophobicContact CG-CZ3 4.49Å; S617-W619 VanDerWaalsContact O-CD1 3.31Å; S617-W619 PolarHBondContact OG-NE1 3.11Å; W619-F686 HydrophobicContact CH2-CD1 4.45Å; W619-F686 HydrophobicContact CH2-CD2 4.33Å; W619-F686 HydrophobicContact CH2-CE1 4.43Å; W619-F686 HydrophobicContact CH2-CE2 4.34Å; W619-F686 HydrophobicContact CH2-CG 4.41Å; W619-F686 HydrophobicContact CH2-CZ 4.4Å; W619-F686 WeakPolarHBondContact CH2-O 3.36Å; W619-F686 HydrophobicContact CZ3-CD1 4.18Å; W619-F686 AromaticContact CZ3-CE1 3.79Å; W619-F686 HydrophobicContact CZ3-CE1 3.79Å; W619-F686 HydrophobicContact CZ3-CE2 4.19Å; W619-F686 AromaticContact CZ3-CZ 3.81Å; W619-F686 HydrophobicContact CZ3-CZ 3.81Å; W619-L688 HydrophobicContact CZ2-CD1 4.46Å
620	R	92.1	Very high	87.3	Confident	110 Å²	110	39 Å²	39	42%	0.415	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.3	173.6	-175.4	175.1	-178.9	90.2	-1.2	110.5	E570 N603 K604	E570-R620 VanDerWaalsContact CD-NH1 3.34Å; E570-R620 IonicContact OE1-CZ 2.67Å; E570-R620 IonicContact OE1-NH1 3.86Å; E570-R620 PolarHBondContact OE1-NH1 2.95Å; E570-R620 IonicContact OE1-NH2 3.9Å; E570-R620 IonicContact OE2-NH1 3.66Å; E570-R620 PolarHBondContact OE2-NH1 3.37Å; N603-R620 PolarHBondContact ND2-O 3.33Å; N603-R620 PolarHBondContact OD1-O 3.32Å; K604-R620 HydrophobicContact CB-CB 4.05Å; K604-R620 PolarHBondContact O-N 3.08Å
621	Y	89.4	Confident	87.3	Confident	33 Å²	33	37.9 Å²	37.9	13%	0.129	19%	0.189	C	C	.	.			trans	-74.5	132.3	177.3	177.5	-106.3	0	0	0	111.5	V553 F564 V571	V553-Y621 HydrophobicContact CG2-CD1 4.4Å; V553-Y621 HydrophobicContact CG2-CE1 3.62Å; F564-Y621 AromaticContact CD1-CD2 3.7Å; F564-Y621 HydrophobicContact CD1-CD2 3.7Å; F564-Y621 AromaticContact CD1-CE2 3.88Å; F564-Y621 HydrophobicContact CD1-CE2 3.88Å; F564-Y621 AromaticContact CE1-CD2 3.65Å; F564-Y621 HydrophobicContact CE1-CD2 3.65Å; F564-Y621 AromaticContact CE1-CE2 3.63Å; F564-Y621 HydrophobicContact CE1-CE2 3.63Å; F564-Y621 HydrophobicContact CZ-CE2 4.34Å; V571-Y621 HydrophobicContact CB-CD1 4.2Å; V571-Y621 HydrophobicContact CB-CG 4.18Å; V571-Y621 HydrophobicContact CG1-CD1 3.96Å; V571-Y621 HydrophobicContact CG1-CD2 3.98Å; V571-Y621 HydrophobicContact CG1-CG 3.64Å; V571-Y621 WeakPolarHBondContact O-CB 3.36Å; V571-Y621 PolarHBondContact O-N 2.89Å
622	C	88.1	Confident	87.2	Confident	6 Å²	6	37.3 Å²	37.3	4%	0.041	19%	0.193	C	C	.	.			trans	-108.2	118	174	-69.9	0	0	0	0	109.3	R624 G625 L674 I675	C622-R624 PolarHBondContact O-N 2.93Å; C622-G625 PolarHBondContact O-N 2.88Å; C622-L674 HydrophobicContact CB-CB 3.6Å; C622-L674 HydrophobicContact CB-CD1 4.15Å; C622-L674 HydrophobicContact CB-CG 4.46Å; C622-I675 CarbonylContact C-O 3.57Å; C622-I675 WeakPolarHBondContact CB-O 3.42Å
623	S	82.7	Confident	86.9	Confident	38 Å²	38	41.6 Å²	41.6	27%	0.266	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28.3	-163.9	59.7	0	0	0	0	114.9	D677	S623-D677 PolarHBondContact OG-N 3.25Å
624	R	80.7	Confident	85.8	Confident	51 Å²	51	37.5 Å²	37.5	19%	0.192	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-10.9	180	-60.9	-172.2	-175.8	-90.4	-1.2	112.9	R556 C622 I675 D676 D677 W679	R556-R624 PolarHBondContact NH2-O 3.38Å; C622-R624 PolarHBondContact O-N 2.93Å; R624-I675 HydrophobicContact CB-CB 3.97Å; R624-I675 HydrophobicContact CB-CG2 3.91Å; R624-I675 WeakPolarHBondContact CB-O 3.08Å; R624-I675 HydrophobicContact CG-CG2 4.35Å; R624-I675 PolarHBondContact N-O 2.93Å; R624-I675 VanDerWaalsContact N-O 3.08Å; R624-D676 WeakPolarHBondContact CD-O 3.48Å; R624-D676 VanDerWaalsContact CG-O 3.31Å; R624-D676 WeakPolarHBondContact CG-O 3.49Å; R624-D676 PolarHBondContact NE-O 3.24Å; R624-D677 PolarHBondContact NH2-O 3.46Å; R624-W679 VanDerWaalsContact CZ-NE1 3.27Å; R624-W679 VanDerWaalsContact NH1-CE2 3.33Å
625	G	84.6	Confident	84.6	Confident	2 Å²	2	39 Å²	39	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.3	-156.2	178.1	0	0	0	0	0	113.3	C622 D629 L674 I675	C622-G625 PolarHBondContact O-N 2.88Å; G625-D629 WeakPolarHBondContact CA-OD2 3.32Å; G625-L674 CarbonylContact O-C 3.57Å; G625-L674 WeakPolarHBondContact O-CA 3.4Å; G625-I675 PolarHBondContact O-N 3.27Å
626	S	89.7	Confident	83.5	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	162	173.2	71.3	0	0	0	0	111.7	A628 D629 V630 C673	S626-A628 PolarHBondContact O-N 2.85Å; S626-D629 PolarHBondContact N-OD2 3.41Å; S626-D629 WeakPolarHBondContact O-CA 3.38Å; S626-D629 VanDerWaalsContact O-CB 3.31Å; S626-D629 WeakPolarHBondContact O-CB 3.3Å; S626-D629 PolarHBondContact O-N 3.4Å; S626-D629 VanDerWaalsContact OG-CG 3.3Å; S626-D629 PolarHBondContact OG-N 3.4Å; S626-D629 PolarHBondContact OG-OD1 2.9Å; S626-V630 PolarHBondContact O-N 2.77Å; S626-V630 VanDerWaalsContact O-N 3.17Å; S626-C673 CarbonylContact C-O 3.54Å; S626-C673 WeakPolarHBondContact CA-O 3.44Å
627	L	91.3	Very high	82.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-36.9	172.2	177.9	61.4	0	0	0	110.9	D629 V630 I631 L646 I650 S670 C673 I675 I728 V732	L627-D629 VanDerWaalsContact C-N 3.31Å; L627-D629 PolarHBondContact O-N 3.27Å; L627-V630 PolarHBondContact O-N 3.35Å; L627-V630 VanDerWaalsContact O-N 3.17Å; L627-I631 HydrophobicContact CD1-CD1 4.2Å; L627-I631 HydrophobicContact CD1-CG1 4.37Å; L627-I631 HydrophobicContact CG-CD1 3.96Å; L627-I631 WeakPolarHBondContact O-CG1 3.48Å; L627-I631 PolarHBondContact O-N 2.85Å; L627-L646 HydrophobicContact CD1-CD1 3.89Å; L627-I650 HydrophobicContact CD2-CD1 3.83Å; L627-S670 WeakPolarHBondContact CB-O 3.38Å; L627-S670 PolarHBondContact N-O 3.09Å; L627-C673 HydrophobicContact CB-CB 4Å; L627-C673 HydrophobicContact CD2-CB 4.33Å; L627-C673 PolarHBondContact N-O 3.48Å; L627-I675 HydrophobicContact CB-CD1 4.49Å; L627-I675 HydrophobicContact CD1-CD1 4.06Å; L627-I728 HydrophobicContact CD2-CG2 3.59Å; L627-V732 HydrophobicContact CD1-CG2 4.19Å; L627-V732 HydrophobicContact CD2-CG2 3.71Å; L627-V732 HydrophobicContact CG-CG2 4.32Å
628	A	89	Confident	81.7	Confident	24 Å²	24	49.7 Å²	49.7	20%	0.198	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-39.6	171.5	0	0	0	0	0	112.5	S626 V630 S632 S670 R671	S626-A628 PolarHBondContact O-N 2.85Å; A628-V630 VanDerWaalsContact C-N 3.32Å; A628-V630 PolarHBondContact O-N 3.44Å; A628-S632 WeakPolarHBondContact O-CB 3.47Å; A628-S632 PolarHBondContact O-N 3.49Å; A628-S632 VanDerWaalsContact O-N 3.1Å; A628-S632 PolarHBondContact O-OG 2.95Å; A628-S670 PolarHBondContact N-O 3.38Å; A628-R671 HydrophobicContact CB-CG 4.18Å
629	D	86.4	Confident	81.2	Confident	46 Å²	46	52.1 Å²	52.1	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-33.3	176.3	-60.5	-21.1	0	0	0	112.2	R556 G625 S626 L627 S632 R633	R556-D629 IonicContact CZ-OD2 3.98Å; R556-D629 IonicContact NH1-OD2 3.57Å; R556-D629 PolarHBondContact NH1-OD2 3.31Å; R556-D629 IonicContact NH2-OD2 3.34Å; R556-D629 PolarHBondContact NH2-OD2 2.78Å; G625-D629 WeakPolarHBondContact CA-OD2 3.32Å; S626-D629 PolarHBondContact N-OD2 3.41Å; S626-D629 WeakPolarHBondContact O-CA 3.38Å; S626-D629 VanDerWaalsContact O-CB 3.31Å; S626-D629 WeakPolarHBondContact O-CB 3.3Å; S626-D629 PolarHBondContact O-N 3.4Å; S626-D629 VanDerWaalsContact OG-CG 3.3Å; S626-D629 PolarHBondContact OG-N 3.4Å; S626-D629 PolarHBondContact OG-OD1 2.9Å; L627-D629 VanDerWaalsContact C-N 3.31Å; L627-D629 PolarHBondContact O-N 3.27Å; D629-S632 PolarHBondContact O-OG 3.41Å; D629-R633 VanDerWaalsContact O-CD 3.29Å; D629-R633 WeakPolarHBondContact O-CD 3.44Å; D629-R633 WeakPolarHBondContact O-CG 3.12Å
630	V	85.6	Confident	80.8	Confident	23 Å²	23	54.3 Å²	54.3	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-75.2	-44.9	-179.8	171.6	0	0	0	0	110.8	S626 L627 A628 S632 R633 M638 I675 W679	S626-V630 PolarHBondContact O-N 2.77Å; S626-V630 VanDerWaalsContact O-N 3.17Å; L627-V630 PolarHBondContact O-N 3.35Å; L627-V630 VanDerWaalsContact O-N 3.17Å; A628-V630 VanDerWaalsContact C-N 3.32Å; A628-V630 PolarHBondContact O-N 3.44Å; V630-S632 VanDerWaalsContact C-N 3.31Å; V630-S632 PolarHBondContact O-N 3.29Å; V630-R633 PolarHBondContact O-N 3.1Å; V630-M638 HydrophobicContact CG1-SD 4.39Å; V630-I675 HydrophobicContact CB-CD1 4.17Å; V630-I675 HydrophobicContact CG2-CD1 3.67Å; V630-W679 HydrophobicContact CG1-CZ3 4.17Å; V630-W679 HydrophobicContact CG2-CZ3 4.43Å
631	I	87.4	Confident	80.4	Confident	19 Å²	19	50.5 Å²	50.5	10%	0.097	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-43	177.2	-67.7	167.5	0	0	0	110.4	L627 R633 E731 V732 R735	L627-I631 HydrophobicContact CD1-CD1 4.2Å; L627-I631 HydrophobicContact CD1-CG1 4.37Å; L627-I631 HydrophobicContact CG-CD1 3.96Å; L627-I631 WeakPolarHBondContact O-CG1 3.48Å; L627-I631 PolarHBondContact O-N 2.85Å; I631-R633 PolarHBondContact O-N 3.1Å; I631-E731 HydrophobicContact CD1-CB 3.88Å; I631-V732 HydrophobicContact CD1-CG2 4.44Å; I631-R735 WeakPolarHBondContact CG2-O 3.38Å
632	S	82.2	Confident	80.2	Confident	92 Å²	92	49 Å²	49	64%	0.643	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14	-177.3	75.7	0	0	0	0	114.8	A628 D629 V630	A628-S632 WeakPolarHBondContact O-CB 3.47Å; A628-S632 PolarHBondContact O-N 3.49Å; A628-S632 VanDerWaalsContact O-N 3.1Å; A628-S632 PolarHBondContact O-OG 2.95Å; D629-S632 PolarHBondContact O-OG 3.41Å; V630-S632 VanDerWaalsContact C-N 3.31Å; V630-S632 PolarHBondContact O-N 3.29Å
633	R	73.6	Confident	80.2	Confident	114 Å²	114	48.8 Å²	48.8	43%	0.43	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-5.4	-169.3	-78.4	176.2	-172.3	-143.7	0.7	115.9	L551 D629 V630 I631 S635	L551-R633 VanDerWaalsContact CD1-NH1 3.25Å; D629-R633 VanDerWaalsContact O-CD 3.29Å; D629-R633 WeakPolarHBondContact O-CD 3.44Å; D629-R633 WeakPolarHBondContact O-CG 3.12Å; V630-R633 PolarHBondContact O-N 3.1Å; I631-R633 PolarHBondContact O-N 3.1Å; R633-S635 PolarHBondContact O-N 3.15Å
634	S	59.8	Low	80.6	Confident	118 Å²	118	47.9 Å²	47.9	83%	0.825	27%	0.27	S	S	*	.			trans	51.8	-11.4	170.4	70.1	0	0	0	0	120.1	M636	S634-M636 VanDerWaalsContact C-N 3.33Å; S634-M636 PolarHBondContact O-N 3.28Å
635	S	59.6	Low	81	Confident	118 Å²	118	45.5 Å²	45.5	83%	0.825	26%	0.261	S	S	*	.			trans	-84.1	-0.4	-168.4	70.9	0	0	0	0	115.3	R633	R633-S635 PolarHBondContact O-N 3.15Å
636	M	65	Low	81.3	Confident	56 Å²	56	45.4 Å²	45.4	28%	0.276	26%	0.26	S	S	.	.	S	Bend	trans	-121.5	126.2	-176.7	-174.1	167.6	164.4	0	0	110.2	S634 M638 F642 W679 V819	S634-M636 VanDerWaalsContact C-N 3.33Å; S634-M636 PolarHBondContact O-N 3.28Å; M636-M638 PolarHBondContact O-N 2.69Å; M636-F642 HydrophobicContact CE-CD2 3.71Å; M636-F642 HydrophobicContact CE-CE1 4.17Å; M636-F642 HydrophobicContact CE-CE2 3.16Å; M636-F642 HydrophobicContact CE-CG 4.46Å; M636-F642 HydrophobicContact CE-CZ 3.41Å; M636-F642 VanDerWaalsContact CE-CZ 3.41Å; M636-F642 HydrophobicContact SD-CZ 4.27Å; M636-W679 HydrophobicContact CE-CH2 3.98Å; M636-W679 HydrophobicContact CE-CZ2 3.73Å; M636-W679 HydrophobicContact SD-CH2 3.16Å; M636-W679 WeakPolarHBondContact SD-CH2 3.35Å; M636-W679 HydrophobicContact SD-CZ2 3.2Å; M636-W679 WeakPolarHBondContact SD-CZ2 3.43Å; M636-W679 HydrophobicContact SD-CZ3 4.11Å; M636-V819 HydrophobicContact CE-CG2 4.36Å
637	Q	68.5	Low	81.5	Confident	172 Å²	172	45 Å²	45	80%	0.804	26%	0.257	S	S	*	.			trans	-70.2	94.3	170.9	-68.7	-176.2	-14.5	0	0	108.4	D639	Q637-D639 PolarHBondContact O-N 2.73Å
638	M	76	Confident	81.5	Confident	11 Å²	11	48.4 Å²	48.4	5%	0.054	27%	0.27	C	S	.	.			trans	-77.2	101	171.2	-65.9	175.2	61	0	0	107.8	V630 M636 F642 M643 L646 V732	V630-M638 HydrophobicContact CG1-SD 4.39Å; M636-M638 PolarHBondContact O-N 2.69Å; M638-F642 HydrophobicContact CB-CD1 3.95Å; M638-F642 HydrophobicContact CE-CD1 3.86Å; M638-F642 HydrophobicContact CE-CE1 3.9Å; M638-F642 HydrophobicContact CG-CD1 3.7Å; M638-F642 HydrophobicContact CG-CE1 3.79Å; M638-F642 HydrophobicContact SD-CD1 4.49Å; M638-F642 HydrophobicContact SD-CE1 4.3Å; M638-M643 HydrophobicContact CB-CE 3.91Å; M638-M643 HydrophobicContact CB-CG 4.19Å; M638-M643 HydrophobicContact CE-CG 4.15Å; M638-M643 VanDerWaalsContact O-CE 3.27Å; M638-M643 WeakPolarHBondContact O-CE 3.46Å; M638-L646 HydrophobicContact CE-CD1 3.61Å; M638-V732 HydrophobicContact CE-CG1 4.34Å
639	D	80.1	Confident	81.8	Confident	51 Å²	51	48 Å²	48	27%	0.273	26%	0.264	S	S	.	.			trans	-73.9	170.5	172.2	69.4	14	0	0	0	111.5	Q637 F641 F642 M643 H818	Q637-D639 PolarHBondContact O-N 2.73Å; D639-F641 VanDerWaalsContact C-N 3.26Å; D639-F641 PolarHBondContact O-N 2.79Å; D639-F641 PolarHBondContact OD1-N 2.97Å; D639-F642 WeakPolarHBondContact O-CB 3.47Å; D639-F642 PolarHBondContact O-N 2.88Å; D639-F642 VanDerWaalsContact O-N 3.15Å; D639-F642 WeakPolarHBondContact OD1-CB 3.36Å; D639-F642 PolarHBondContact OD1-N 2.76Å; D639-M643 WeakPolarHBondContact O-CG 3.31Å; D639-M643 PolarHBondContact O-N 2.84Å; D639-H818 IonicContact OD1-NE2 2.68Å; D639-H818 IonicContact OD2-CD2 3.91Å; D639-H818 IonicContact OD2-CE1 3.1Å; D639-H818 IonicContact OD2-NE2 2.65Å; D639-H818 PolarHBondContact OD2-NE2 2.69Å
640	S	84.6	Confident	82.2	Confident	47 Å²	47	45.8 Å²	45.8	33%	0.329	25%	0.253	S	S	.	.	H	α-helix	trans	-57.7	-38.1	-177.4	-166.8	0	0	0	0	112.5	M643 L644 E774	S640-M643 PolarHBondContact O-N 3.5Å; S640-L644 WeakPolarHBondContact O-CB 3.29Å; S640-L644 PolarHBondContact O-N 2.74Å; S640-E774 VanDerWaalsContact CB-O 3.23Å; S640-E774 WeakPolarHBondContact CB-O 3.14Å; S640-E774 PolarHBondContact OG-O 2.94Å
641	F	84.4	Confident	82.7	Confident	30 Å²	30	44.8 Å²	44.8	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-42.7	177.2	177.2	-96.4	0	0	0	112.1	D639 L644 S645 L815 H818	D639-F641 VanDerWaalsContact C-N 3.26Å; D639-F641 PolarHBondContact O-N 2.79Å; D639-F641 PolarHBondContact OD1-N 2.97Å; F641-L644 PolarHBondContact O-N 3.18Å; F641-S645 WeakPolarHBondContact O-CB 3.45Å; F641-S645 PolarHBondContact O-N 3.36Å; F641-S645 PolarHBondContact O-OG 2.99Å; F641-L815 HydrophobicContact CD1-CD1 4.14Å; F641-L815 HydrophobicContact CE1-CD1 3.96Å; F641-H818 HydrophobicContact CD1-CB 4.02Å; F641-H818 AromaticContact CD1-CD2 3.46Å; F641-H818 VanDerWaalsContact CD1-CD2 3.46Å; F641-H818 WeakPolarHBondContact CD1-CD2 3.4Å; F641-H818 AromaticContact CD1-CG 3.57Å; F641-H818 AromaticContact CD1-NE2 3.85Å; F641-H818 HydrophobicContact CE1-CB 3.59Å; F641-H818 AromaticContact CE1-CD2 3.99Å; F641-H818 AromaticContact CE1-CG 3.68Å
642	F	85.7	Confident	83.1	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-46.3	177.4	-171.2	-82.8	0	0	0	111	M636 M638 D639 S645 L646 W679 L815 V819	M636-F642 HydrophobicContact CE-CD2 3.71Å; M636-F642 HydrophobicContact CE-CE1 4.17Å; M636-F642 HydrophobicContact CE-CE2 3.16Å; M636-F642 HydrophobicContact CE-CG 4.46Å; M636-F642 HydrophobicContact CE-CZ 3.41Å; M636-F642 VanDerWaalsContact CE-CZ 3.41Å; M636-F642 HydrophobicContact SD-CZ 4.27Å; M638-F642 HydrophobicContact CB-CD1 3.95Å; M638-F642 HydrophobicContact CE-CD1 3.86Å; M638-F642 HydrophobicContact CE-CE1 3.9Å; M638-F642 HydrophobicContact CG-CD1 3.7Å; M638-F642 HydrophobicContact CG-CE1 3.79Å; M638-F642 HydrophobicContact SD-CD1 4.49Å; M638-F642 HydrophobicContact SD-CE1 4.3Å; D639-F642 WeakPolarHBondContact O-CB 3.47Å; D639-F642 PolarHBondContact O-N 2.88Å; D639-F642 VanDerWaalsContact O-N 3.15Å; D639-F642 WeakPolarHBondContact OD1-CB 3.36Å; D639-F642 PolarHBondContact OD1-N 2.76Å; F642-S645 PolarHBondContact O-N 3.46Å; F642-L646 HydrophobicContact CD1-CD1 4.05Å; F642-L646 HydrophobicContact CD1-CG 4.36Å; F642-L646 HydrophobicContact CE1-CD1 3.67Å; F642-L646 HydrophobicContact CE1-CD2 4.43Å; F642-L646 HydrophobicContact CE1-CG 4.15Å; F642-L646 WeakPolarHBondContact O-CG 3.24Å; F642-L646 PolarHBondContact O-N 2.99Å; F642-L646 VanDerWaalsContact O-N 3.17Å; F642-W679 HydrophobicContact CE1-CE3 4.46Å; F642-W679 HydrophobicContact CE1-CZ3 4.39Å; F642-W679 HydrophobicContact CE2-CD2 4.05Å; F642-W679 HydrophobicContact CE2-CE3 4.08Å; F642-W679 HydrophobicContact CE2-CG 4.35Å; F642-W679 HydrophobicContact CE2-CZ3 4.48Å; F642-W679 AromaticContact CZ-CD2 3.87Å; F642-W679 HydrophobicContact CZ-CD2 3.87Å; F642-W679 AromaticContact CZ-CE3 3.42Å; F642-W679 HydrophobicContact CZ-CE3 3.42Å; F642-W679 VanDerWaalsContact CZ-CE3 3.42Å; F642-W679 HydrophobicContact CZ-CH2 4.17Å; F642-W679 AromaticContact CZ-CZ3 3.59Å; F642-W679 HydrophobicContact CZ-CZ3 3.59Å; F642-L815 HydrophobicContact CB-CD1 4.22Å; F642-L815 HydrophobicContact CD2-CD1 3.47Å; F642-L815 VanDerWaalsContact CD2-CD1 3.47Å; F642-L815 HydrophobicContact CD2-CD2 4.08Å; F642-L815 HydrophobicContact CD2-CG 4.04Å; F642-L815 HydrophobicContact CE2-CD1 4.04Å; F642-L815 HydrophobicContact CE2-CD2 3.89Å; F642-L815 HydrophobicContact CE2-CG 4.09Å; F642-L815 HydrophobicContact CG-CD1 4.07Å; F642-L815 HydrophobicContact CZ-CD2 4.38Å; F642-V819 HydrophobicContact CD2-CG2 4.16Å; F642-V819 HydrophobicContact CE2-CG2 3.98Å
643	M	88.2	Confident	83.7	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-48.9	176.1	-68.1	-173.5	-173.8	0	0	112.5	M638 D639 S640 S645 L646 I647 V732 R735 L773	M638-M643 HydrophobicContact CB-CE 3.91Å; M638-M643 HydrophobicContact CB-CG 4.19Å; M638-M643 HydrophobicContact CE-CG 4.15Å; M638-M643 VanDerWaalsContact O-CE 3.27Å; M638-M643 WeakPolarHBondContact O-CE 3.46Å; D639-M643 WeakPolarHBondContact O-CG 3.31Å; D639-M643 PolarHBondContact O-N 2.84Å; S640-M643 PolarHBondContact O-N 3.5Å; M643-S645 VanDerWaalsContact C-N 3.25Å; M643-S645 PolarHBondContact O-N 2.92Å; M643-L646 PolarHBondContact O-N 2.92Å; M643-I647 WeakPolarHBondContact O-CG1 3.11Å; M643-I647 PolarHBondContact O-N 3.02Å; M643-I647 VanDerWaalsContact O-N 3.1Å; M643-V732 HydrophobicContact CB-CG1 3.84Å; M643-V732 HydrophobicContact CG-CG1 4.01Å; M643-R735 HydrophobicContact CE-CG 3.83Å; M643-L773 HydrophobicContact CE-CD1 4.14Å; M643-L773 HydrophobicContact CE-CD2 3.39Å; M643-L773 HydrophobicContact CE-CG 4.41Å; M643-L773 HydrophobicContact SD-CD2 3.78Å
644	L	89.4	Confident	84.8	Confident	18 Å²	18	35.7 Å²	35.7	9%	0.094	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-35.3	179.8	-173	65.5	0	0	0	111.7	S640 F641 I647 R648 L779 L804 M807 N808	S640-L644 WeakPolarHBondContact O-CB 3.29Å; S640-L644 PolarHBondContact O-N 2.74Å; F641-L644 PolarHBondContact O-N 3.18Å; L644-I647 PolarHBondContact O-N 3.11Å; L644-R648 VanDerWaalsContact O-CB 3.26Å; L644-R648 WeakPolarHBondContact O-CB 3.27Å; L644-R648 PolarHBondContact O-N 2.94Å; L644-L779 HydrophobicContact CD1-CD2 4.44Å; L644-L804 HydrophobicContact CD1-CD2 3.9Å; L644-M807 HydrophobicContact CD1-CB 4.48Å; L644-M807 HydrophobicContact CD2-CB 4.3Å; L644-N808 HydrophobicContact CD2-CB 4.12Å
645	S	89.3	Confident	86.5	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-45.5	176.5	-65.1	0	0	0	0	112	F641 F642 M643 I647 R648 D649	F641-S645 WeakPolarHBondContact O-CB 3.45Å; F641-S645 PolarHBondContact O-N 3.36Å; F641-S645 PolarHBondContact O-OG 2.99Å; F642-S645 PolarHBondContact O-N 3.46Å; M643-S645 VanDerWaalsContact C-N 3.25Å; M643-S645 PolarHBondContact O-N 2.92Å; S645-I647 PolarHBondContact O-N 3.49Å; S645-R648 PolarHBondContact O-N 3.41Å; S645-D649 PolarHBondContact O-N 3.12Å
646	L	91.2	Very high	88.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-44.2	175.7	-62.6	178.7	0	0	0	111.8	L627 M638 F642 M643 R648 D649 I650 I675 V681 L815	L627-L646 HydrophobicContact CD1-CD1 3.89Å; M638-L646 HydrophobicContact CE-CD1 3.61Å; F642-L646 HydrophobicContact CD1-CD1 4.05Å; F642-L646 HydrophobicContact CD1-CG 4.36Å; F642-L646 HydrophobicContact CE1-CD1 3.67Å; F642-L646 HydrophobicContact CE1-CD2 4.43Å; F642-L646 HydrophobicContact CE1-CG 4.15Å; F642-L646 WeakPolarHBondContact O-CG 3.24Å; F642-L646 PolarHBondContact O-N 2.99Å; F642-L646 VanDerWaalsContact O-N 3.17Å; M643-L646 PolarHBondContact O-N 2.92Å; L646-R648 VanDerWaalsContact C-N 3.34Å; L646-R648 PolarHBondContact O-N 2.8Å; L646-D649 PolarHBondContact O-N 3.1Å; L646-I650 VanDerWaalsContact O-CG1 3.32Å; L646-I650 WeakPolarHBondContact O-CG1 2.95Å; L646-I650 PolarHBondContact O-N 2.9Å; L646-I650 VanDerWaalsContact O-N 3.14Å; L646-I675 HydrophobicContact CD2-CD1 4.31Å; L646-V681 HydrophobicContact CB-CG2 4Å; L646-V681 HydrophobicContact CD2-CG2 3.47Å; L646-V681 VanDerWaalsContact CD2-CG2 3.47Å; L646-V681 HydrophobicContact CG-CG2 4.31Å; L646-L815 HydrophobicContact CD2-CD2 4.27Å
647	I	93.9	Very high	89.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-43.4	178.4	-69.8	170.2	0	0	0	110.9	M643 L644 S645 I650 A651 F725 C729 V732 I733 L779 L804	M643-I647 WeakPolarHBondContact O-CG1 3.11Å; M643-I647 PolarHBondContact O-N 3.02Å; M643-I647 VanDerWaalsContact O-N 3.1Å; L644-I647 PolarHBondContact O-N 3.11Å; S645-I647 PolarHBondContact O-N 3.49Å; I647-I650 PolarHBondContact O-N 3.29Å; I647-A651 PolarHBondContact O-N 3.33Å; I647-F725 HydrophobicContact CG2-CE2 4.27Å; I647-F725 HydrophobicContact CG2-CZ 3.74Å; I647-C729 HydrophobicContact CD1-CB 4.39Å; I647-V732 HydrophobicContact CD1-CB 4.27Å; I647-V732 HydrophobicContact CD1-CG1 4.08Å; I647-V732 HydrophobicContact CG1-CB 4.26Å; I647-V732 HydrophobicContact CG1-CG1 4.1Å; I647-V732 HydrophobicContact CG1-CG2 4.39Å; I647-I733 HydrophobicContact CD1-CG2 4.08Å; I647-L779 HydrophobicContact CD1-CD1 4.26Å; I647-L779 HydrophobicContact CD1-CD2 3.93Å; I647-L779 HydrophobicContact CG2-CD1 4.49Å; I647-L804 HydrophobicContact CG2-CD1 3.91Å; I647-L804 HydrophobicContact CG2-CD2 3.8Å
648	R	92.6	Very high	90.9	Very high	71 Å²	71	16.6 Å²	16.6	27%	0.268	8%	0.083	S	C	.	.	H	α-helix	trans	-63.9	-41.4	178.1	-174.7	-176.8	68.7	-168.1	-1.4	112.1	L644 S645 L646 I650 A651 N652	L644-R648 VanDerWaalsContact O-CB 3.26Å; L644-R648 WeakPolarHBondContact O-CB 3.27Å; L644-R648 PolarHBondContact O-N 2.94Å; S645-R648 PolarHBondContact O-N 3.41Å; L646-R648 VanDerWaalsContact C-N 3.34Å; L646-R648 PolarHBondContact O-N 2.8Å; R648-I650 VanDerWaalsContact C-N 3.33Å; R648-I650 PolarHBondContact O-N 2.97Å; R648-A651 PolarHBondContact O-N 3.13Å; R648-N652 WeakPolarHBondContact O-CB 3.29Å; R648-N652 PolarHBondContact O-N 3.42Å; R648-N652 PolarHBondContact O-ND2 2.97Å
649	D	93.5	Very high	91.7	Very high	16 Å²	16	20.9 Å²	20.9	9%	0.086	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-44.4	176.6	-82.1	4.1	0	0	0	111.2	N601 S645 L646 N652 G653 Q680 V681	N601-D649 WeakPolarHBondContact CB-O 3.49Å; N601-D649 WeakPolarHBondContact ND2-CB 3.42Å; N601-D649 PolarHBondContact ND2-OD1 2.71Å; N601-D649 PolarHBondContact ND2-OD2 3.34Å; S645-D649 PolarHBondContact O-N 3.12Å; L646-D649 PolarHBondContact O-N 3.1Å; D649-N652 PolarHBondContact O-N 3Å; D649-G653 PolarHBondContact O-N 3.46Å; D649-Q680 WeakPolarHBondContact OD2-CA 3.36Å; D649-V681 HydrophobicContact CB-CB 3.75Å; D649-V681 HydrophobicContact CB-CG2 4.06Å; D649-V681 PolarHBondContact OD2-N 3.04Å; D649-V681 VanDerWaalsContact OD2-N 3.13Å
650	I	96.2	Very high	92.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-45.5	175.2	-59.1	162	0	0	0	110.6	L627 L646 I647 R648 N652 G653 L654 C673 V681 I683 F725 I728	L627-I650 HydrophobicContact CD2-CD1 3.83Å; L646-I650 VanDerWaalsContact O-CG1 3.32Å; L646-I650 WeakPolarHBondContact O-CG1 2.95Å; L646-I650 PolarHBondContact O-N 2.9Å; L646-I650 VanDerWaalsContact O-N 3.14Å; I647-I650 PolarHBondContact O-N 3.29Å; R648-I650 VanDerWaalsContact C-N 3.33Å; R648-I650 PolarHBondContact O-N 2.97Å; I650-N652 VanDerWaalsContact C-N 3.3Å; I650-N652 PolarHBondContact O-N 2.72Å; I650-G653 PolarHBondContact O-N 3.16Å; I650-L654 VanDerWaalsContact O-CB 3.31Å; I650-L654 WeakPolarHBondContact O-CB 3.35Å; I650-L654 PolarHBondContact O-N 3.04Å; I650-C673 HydrophobicContact CD1-CB 4.47Å; I650-V681 HydrophobicContact CD1-CG1 4.34Å; I650-V681 HydrophobicContact CG1-CB 4.14Å; I650-V681 HydrophobicContact CG1-CG1 3.6Å; I650-V681 HydrophobicContact CG1-CG2 4.39Å; I650-I683 HydrophobicContact CG2-CD1 4.11Å; I650-I683 WeakPolarHBondContact O-CD1 3.44Å; I650-F725 HydrophobicContact CB-CD2 4.32Å; I650-F725 HydrophobicContact CB-CE2 4.05Å; I650-F725 HydrophobicContact CG2-CD2 3.66Å; I650-F725 HydrophobicContact CG2-CE2 3.9Å; I650-I728 HydrophobicContact CD1-CG2 3.8Å
651	A	96.2	Very high	92.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-61.7	-37.5	178.7	0	0	0	0	0	112.4	I647 R648 G655 F725 I797 V800 R801 L804	I647-A651 PolarHBondContact O-N 3.33Å; R648-A651 PolarHBondContact O-N 3.13Å; A651-G655 PolarHBondContact O-N 3.4Å; A651-F725 HydrophobicContact CB-CE2 3.93Å; A651-F725 HydrophobicContact CB-CZ 3.9Å; A651-I797 HydrophobicContact CB-CD1 4.43Å; A651-V800 HydrophobicContact CB-CG1 4.47Å; A651-R801 HydrophobicContact CB-CG 4.03Å; A651-L804 HydrophobicContact CB-CD1 3.59Å
652	N	95.1	Very high	92.7	Very high	35 Å²	35	18.9 Å²	18.9	19%	0.187	10%	0.097	C	C	.	.	H	α-helix	trans	-68.5	-46.8	175.7	-76.5	-32.5	0	0	0	112.1	N601 R648 D649 I650 L654 G655 F656 R801	N601-N652 VanDerWaalsContact OD1-CB 3.32Å; N601-N652 WeakPolarHBondContact OD1-CB 3.35Å; R648-N652 WeakPolarHBondContact O-CB 3.29Å; R648-N652 PolarHBondContact O-N 3.42Å; R648-N652 PolarHBondContact O-ND2 2.97Å; D649-N652 PolarHBondContact O-N 3Å; I650-N652 VanDerWaalsContact C-N 3.3Å; I650-N652 PolarHBondContact O-N 2.72Å; N652-L654 VanDerWaalsContact C-N 3.31Å; N652-L654 PolarHBondContact O-N 3.42Å; N652-G655 PolarHBondContact O-N 2.94Å; N652-F656 PolarHBondContact O-N 2.83Å; N652-R801 PolarHBondContact OD1-NE 3.14Å; N652-R801 PolarHBondContact OD1-NH2 3Å; N652-R801 VanDerWaalsContact OD1-NH2 3.16Å
653	G	95.1	Very high	92.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-42.8	175.9	0	0	0	0	0	111.9	D649 I650 F656 I657	D649-G653 PolarHBondContact O-N 3.46Å; I650-G653 PolarHBondContact O-N 3.16Å; G653-F656 PolarHBondContact O-N 3.34Å; G653-I657 WeakPolarHBondContact O-CG1 3.43Å; G653-I657 PolarHBondContact O-N 2.91Å
654	L	96.7	Very high	93.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.1	-40.7	177.4	-172.7	59.6	0	0	0	112	I650 N652 F656 I657 H658 H665 L668 I683 D721 I722 F725 I797	I650-L654 VanDerWaalsContact O-CB 3.31Å; I650-L654 WeakPolarHBondContact O-CB 3.35Å; I650-L654 PolarHBondContact O-N 3.04Å; N652-L654 VanDerWaalsContact C-N 3.31Å; N652-L654 PolarHBondContact O-N 3.42Å; L654-F656 VanDerWaalsContact C-N 3.3Å; L654-F656 PolarHBondContact O-N 3.31Å; L654-I657 PolarHBondContact O-N 2.88Å; L654-I657 VanDerWaalsContact O-N 3.17Å; L654-H658 WeakPolarHBondContact CD1-NE2 3.25Å; L654-H658 PolarHBondContact O-CD2 3.35Å; L654-H658 PolarHBondContact O-N 3.26Å; L654-H665 HydrophobicContact CD1-CB 4.24Å; L654-L668 HydrophobicContact CD1-CD2 4.22Å; L654-L668 HydrophobicContact CD2-CD2 3.92Å; L654-I683 HydrophobicContact CB-CD1 4.25Å; L654-D721 HydrophobicContact CD1-CB 3.83Å; L654-D721 HydrophobicContact CD2-CB 4.04Å; L654-D721 HydrophobicContact CG-CB 4.47Å; L654-I722 HydrophobicContact CD2-CD1 4.28Å; L654-F725 HydrophobicContact CD2-CB 4.17Å; L654-I797 HydrophobicContact CB-CD1 4.18Å; L654-I797 HydrophobicContact CB-CG1 4.47Å; L654-I797 HydrophobicContact CD2-CD1 3.96Å; L654-I797 HydrophobicContact CG-CD1 4.17Å; L654-I797 HydrophobicContact CG-CG1 4.41Å
655	G	96	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-38.9	174.6	0	0	0	0	0	112.8	A651 N652 H658 T659	A651-G655 PolarHBondContact O-N 3.4Å; N652-G655 PolarHBondContact O-N 2.94Å; G655-H658 PolarHBondContact O-N 2.91Å; G655-T659 PolarHBondContact O-N 2.82Å; G655-T659 PolarHBondContact O-OG1 2.87Å
656	F	95.1	Very high	93.3	Very high	56 Å²	56	25.7 Å²	25.7	25%	0.246	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-44.8	172.8	-177.4	-92.4	0	0	0	111.5	L597 H599 L602 N652 G653 L654 H658 T659 S660	L597-F656 HydrophobicContact CB-CE1 4.5Å; L597-F656 HydrophobicContact CD2-CE1 3.95Å; L597-F656 HydrophobicContact CD2-CZ 4.08Å; H599-F656 HydrophobicContact CB-CD1 3.95Å; H599-F656 HydrophobicContact CB-CD2 4.27Å; H599-F656 HydrophobicContact CB-CE1 4.01Å; H599-F656 HydrophobicContact CB-CE2 4.35Å; H599-F656 HydrophobicContact CB-CG 4.06Å; H599-F656 HydrophobicContact CB-CZ 4.21Å; H599-F656 AromaticContact CD2-CD2 3.39Å; H599-F656 WeakPolarHBondContact CD2-CD2 3.24Å; H599-F656 AromaticContact CD2-CG 3.54Å; H599-F656 AromaticContact CG-CD2 3.97Å; H599-F656 AromaticContact CG-CG 3.75Å; L602-F656 HydrophobicContact CD1-CD1 3.43Å; L602-F656 VanDerWaalsContact CD1-CD1 3.43Å; L602-F656 HydrophobicContact CD1-CE1 3.69Å; L602-F656 HydrophobicContact CG-CD1 4.19Å; N652-F656 PolarHBondContact O-N 2.83Å; G653-F656 PolarHBondContact O-N 3.34Å; L654-F656 VanDerWaalsContact C-N 3.3Å; L654-F656 PolarHBondContact O-N 3.31Å; F656-H658 VanDerWaalsContact C-N 3.34Å; F656-H658 PolarHBondContact O-N 2.91Å; F656-T659 PolarHBondContact O-N 2.86Å; F656-T659 PolarHBondContact O-OG1 3.29Å; F656-T659 VanDerWaalsContact O-OG1 3.11Å; F656-S660 VanDerWaalsContact O-CB 3.24Å; F656-S660 WeakPolarHBondContact O-CB 3.29Å; F656-S660 PolarHBondContact O-N 3.03Å
657	I	94.5	Very high	93.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-46.9	175.5	-68.5	169.5	0	0	0	110.9	L602 G653 L654 T659 S660 L662 F664 H665 I683 F686	L602-I657 HydrophobicContact CD1-CG1 4.13Å; L602-I657 HydrophobicContact CD2-CD1 3.66Å; L602-I657 HydrophobicContact CD2-CG1 3.79Å; G653-I657 WeakPolarHBondContact O-CG1 3.43Å; G653-I657 PolarHBondContact O-N 2.91Å; L654-I657 PolarHBondContact O-N 2.88Å; L654-I657 VanDerWaalsContact O-N 3.17Å; I657-T659 PolarHBondContact O-N 3.42Å; I657-S660 PolarHBondContact O-N 2.89Å; I657-S660 PolarHBondContact O-OG 3.15Å; I657-L662 HydrophobicContact CG2-CB 4.16Å; I657-L662 HydrophobicContact CG2-CD1 4.49Å; I657-F664 VanDerWaalsContact CG2-C 3.4Å; I657-H665 HydrophobicContact CD1-CB 4.16Å; I657-H665 HydrophobicContact CG2-CB 4.36Å; I657-I683 HydrophobicContact CD1-CG2 4.16Å; I657-F686 HydrophobicContact CD1-CB 3.89Å; I657-F686 HydrophobicContact CD1-CD1 4.3Å; I657-F686 HydrophobicContact CD1-CG 4.27Å
658	H	95	Very high	93.3	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.032	13%	0.132	C	C	.	.	H	α-helix	trans	-62.7	-25.7	-177.8	-75.3	-165.6	0	0	0	114.2	L654 G655 F656 H663 K718 D721 I797	L654-H658 WeakPolarHBondContact CD1-NE2 3.25Å; L654-H658 PolarHBondContact O-CD2 3.35Å; L654-H658 PolarHBondContact O-N 3.26Å; G655-H658 PolarHBondContact O-N 2.91Å; F656-H658 VanDerWaalsContact C-N 3.34Å; F656-H658 PolarHBondContact O-N 2.91Å; H658-H663 WeakPolarHBondContact CA-O 3.34Å; H658-K718 HydrophobicContact CB-CD 4.29Å; H658-K718 PolarHBondContact CE1-O 3.27Å; H658-K718 WeakPolarHBondContact O-CE 3.28Å; H658-K718 PolarHBondContact O-NZ 3.41Å; H658-D721 IonicContact CD2-OD2 3.03Å; H658-D721 IonicContact NE2-OD2 3.78Å; H658-D721 PolarHBondContact NE2-OD2 3.05Å; H658-I797 HydrophobicContact CB-CG2 4.03Å; H658-I797 WeakPolarHBondContact ND1-CG2 3.32Å
659	T	93.2	Very high	93.3	Very high	101 Å²	101	23.6 Å²	23.6	62%	0.62	12%	0.122	S	C	*	.	H	α-helix	trans	-99.4	-17	178	52.8	0	0	0	0	113.3	G655 F656 I657	G655-T659 PolarHBondContact O-N 2.82Å; G655-T659 PolarHBondContact O-OG1 2.87Å; F656-T659 PolarHBondContact O-N 2.86Å; F656-T659 PolarHBondContact O-OG1 3.29Å; F656-T659 VanDerWaalsContact O-OG1 3.11Å; I657-T659 PolarHBondContact O-N 3.42Å
660	S	91.2	Very high	93.3	Very high	16 Å²	16	22.8 Å²	22.8	11%	0.112	12%	0.118	C	C	.	.	S	Bend	trans	-74.7	176.4	175	78.6	0	0	0	0	112.7	F656 I657 L662 H663	F656-S660 VanDerWaalsContact O-CB 3.24Å; F656-S660 WeakPolarHBondContact O-CB 3.29Å; F656-S660 PolarHBondContact O-N 3.03Å; I657-S660 PolarHBondContact O-N 2.89Å; I657-S660 PolarHBondContact O-OG 3.15Å; S660-L662 PolarHBondContact O-N 2.85Å; S660-L662 VanDerWaalsContact O-N 3.13Å; S660-L662 PolarHBondContact OG-N 2.87Å; S660-H663 PolarHBondContact O-N 2.87Å
661	M	89.3	Confident	93.1	Very high	50 Å²	50	27.1 Å²	27.1	25%	0.246	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19	174.2	66.9	85.8	179.1	0	0	114.3	E590 Q593 M594 L597	E590-M661 WeakPolarHBondContact O-CE 3.35Å; Q593-M661 HydrophobicContact CB-CE 3.91Å; Q593-M661 HydrophobicContact CB-CG 4.32Å; M594-M661 HydrophobicContact CB-CE 3.82Å; M594-M661 HydrophobicContact CG-CE 4.49Å; L597-M661 HydrophobicContact CD1-CE 4.24Å
662	L	89.1	Confident	92.9	Very high	19 Å²	19	27 Å²	27	10%	0.099	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-24.7	-179.2	-63.4	171.2	0	0	0	113.2	L597 I657 S660 F664 F686	L597-L662 HydrophobicContact CD1-CD1 3.67Å; L597-L662 HydrophobicContact CD1-CG 4.2Å; I657-L662 HydrophobicContact CG2-CB 4.16Å; I657-L662 HydrophobicContact CG2-CD1 4.49Å; S660-L662 PolarHBondContact O-N 2.85Å; S660-L662 VanDerWaalsContact O-N 3.13Å; S660-L662 PolarHBondContact OG-N 2.87Å; L662-F664 PolarHBondContact O-N 2.9Å; L662-F686 HydrophobicContact CD1-CB 4.21Å; L662-F686 HydrophobicContact CD1-CD2 3.4Å; L662-F686 HydrophobicContact CD1-CE2 4.09Å; L662-F686 HydrophobicContact CD1-CG 4.11Å
663	H	90.6	Very high	92.9	Very high	111 Å²	111	25.4 Å²	25.4	51%	0.514	13%	0.125	S	C	.	.			trans	61.8	-36.4	-175.3	-56.4	-54.9	0	0	0	117.2	H658 S660 K718	H658-H663 WeakPolarHBondContact CA-O 3.34Å; S660-H663 PolarHBondContact O-N 2.87Å; H663-K718 WeakPolarHBondContact O-CE 3.36Å; H663-K718 VanDerWaalsContact O-CG 3.22Å; H663-K718 WeakPolarHBondContact O-CG 3.28Å
664	F	92.9	Very high	92.8	Very high	49 Å²	49	26.5 Å²	26.5	22%	0.215	13%	0.131	C	C	.	.			trans	-154.1	161.5	177.3	57.4	-96.3	0	0	0	110.6	I657 L662 R716 K718 D721	I657-F664 VanDerWaalsContact CG2-C 3.4Å; L662-F664 PolarHBondContact O-N 2.9Å; F664-R716 HydrophobicContact CD2-CB 4.2Å; F664-R716 HydrophobicContact CE2-CB 3.83Å; F664-R716 HydrophobicContact CZ-CB 4.42Å; F664-K718 HydrophobicContact CB-CG 4.4Å; F664-D721 WeakPolarHBondContact CA-OD2 3.4Å; F664-D721 WeakPolarHBondContact CB-OD2 3.49Å
665	H	93.5	Very high	92.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.			trans	-85.5	-42.4	175.5	-178.5	-74.2	0	0	0	111.2	L654 I657 Y667 L668 I683 S684 D685 D721	L654-H665 HydrophobicContact CD1-CB 4.24Å; I657-H665 HydrophobicContact CD1-CB 4.16Å; I657-H665 HydrophobicContact CG2-CB 4.36Å; H665-Y667 PolarHBondContact CE1-O 2.91Å; H665-Y667 PolarHBondContact ND1-N 2.67Å; H665-Y667 VanDerWaalsContact ND1-N 3.17Å; H665-Y667 PolarHBondContact O-N 3.33Å; H665-Y667 VanDerWaalsContact O-N 3.07Å; H665-L668 HydrophobicContact CB-CB 4.47Å; H665-L668 PolarHBondContact CE1-N 3.17Å; H665-L668 WeakPolarHBondContact ND1-CA 2.86Å; H665-L668 PolarHBondContact ND1-N 3.06Å; H665-I683 WeakPolarHBondContact CD2-CG2 3.19Å; H665-I683 WeakPolarHBondContact NE2-CG2 3.44Å; H665-S684 PolarHBondContact NE2-O 3.31Å; H665-D685 PolarHBondContact CE1-O 2.93Å; H665-D685 VanDerWaalsContact CE1-O 3.26Å; H665-D685 PolarHBondContact NE2-O 3.1Å; H665-D721 PolarHBondContact N-OD2 2.91Å
666	G	89.4	Confident	92.2	Very high	7 Å²	7	27.3 Å²	27.3	7%	0.072	14%	0.135	C	C	.	.	S	Bend	trans	82.1	-31.2	173.7	0	0	0	0	0	114.6	R716 D721	G666-R716 PolarHBondContact O-NH1 2.93Å; G666-D721 WeakPolarHBondContact CA-OD1 3.38Å; G666-D721 PolarHBondContact N-OD1 2.78Å
667	Y	89.9	Confident	91.6	Very high	19 Å²	19	29.4 Å²	29.4	8%	0.075	15%	0.149	C	C	.	.	S	Bend	trans	-131.2	35.2	-174.5	-65.4	-100.6	0	0	0	113.4	H665 S669 R692 G693 L697 W705 R716	H665-Y667 PolarHBondContact CE1-O 2.91Å; H665-Y667 PolarHBondContact ND1-N 2.67Å; H665-Y667 VanDerWaalsContact ND1-N 3.17Å; H665-Y667 PolarHBondContact O-N 3.33Å; H665-Y667 VanDerWaalsContact O-N 3.07Å; Y667-S669 PolarHBondContact O-N 3.37Å; Y667-R692 VanDerWaalsContact CD2-CZ 3.47Å; Y667-R692 HydrophobicContact CE2-CB 4.13Å; Y667-R692 PolarHBondContact OH-O 3.36Å; Y667-G693 VanDerWaalsContact OH-CA 3.31Å; Y667-G693 WeakPolarHBondContact OH-CA 3.43Å; Y667-G693 PolarHBondContact OH-N 2.98Å; Y667-L697 HydrophobicContact CD1-CD1 4.49Å; Y667-L697 HydrophobicContact CD1-CD2 4.33Å; Y667-L697 HydrophobicContact CE1-CD1 3.82Å; Y667-L697 HydrophobicContact CE1-CD2 4.45Å; Y667-W705 HydrophobicContact CD1-CZ2 4.12Å; Y667-W705 HydrophobicContact CE1-CZ2 4.08Å; Y667-R716 VanDerWaalsContact CD1-NH1 3.25Å; Y667-R716 VanDerWaalsContact CE1-NH1 3.33Å; Y667-R716 VanDerWaalsContact CZ-NE 3.33Å; Y667-R716 PolarHBondContact OH-NE 2.87Å; Y667-R716 PolarHBondContact OH-NH2 3.2Å
668	L	93.8	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.			trans	-66.8	134.3	-173.1	-173.7	68.9	0	0	0	110.3	L654 H665 I683 W704 S724 F725 I728	L654-L668 HydrophobicContact CD1-CD2 4.22Å; L654-L668 HydrophobicContact CD2-CD2 3.92Å; H665-L668 HydrophobicContact CB-CB 4.47Å; H665-L668 PolarHBondContact CE1-N 3.17Å; H665-L668 WeakPolarHBondContact ND1-CA 2.86Å; H665-L668 PolarHBondContact ND1-N 3.06Å; L668-I683 HydrophobicContact CD1-CD1 4.2Å; L668-I683 HydrophobicContact CD1-CG1 4.48Å; L668-I683 HydrophobicContact CD1-CG2 3.75Å; L668-W704 WeakPolarHBondContact O-CB 3.25Å; L668-S724 WeakPolarHBondContact O-CB 3.47Å; L668-F725 HydrophobicContact CD2-CB 4.24Å; L668-I728 HydrophobicContact CD1-CD1 4.43Å; L668-I728 HydrophobicContact CD2-CD1 4.13Å; L668-I728 HydrophobicContact CG-CD1 3.74Å
669	S	94	Very high	90.7	Very high	8 Å²	8	37 Å²	37	6%	0.056	18%	0.177	C	C	.	.			trans	-154.6	164.2	177.8	60.7	0	0	0	0	110.7	Y667 R671 S672 C673 I728	Y667-S669 PolarHBondContact O-N 3.37Å; S669-R671 PolarHBondContact O-N 3.05Å; S669-R671 VanDerWaalsContact O-N 3.13Å; S669-S672 PolarHBondContact N-OG 3.1Å; S669-S672 PolarHBondContact O-N 2.89Å; S669-S672 PolarHBondContact O-OG 3.46Å; S669-S672 PolarHBondContact OG-N 2.76Å; S669-C673 PolarHBondContact O-N 3.41Å; S669-I728 VanDerWaalsContact C-CD1 3.41Å
670	S	93.3	Very high	90.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.1	174.4	57.6	0	0	0	0	112.4	L627 A628 W704 E731	L627-S670 WeakPolarHBondContact CB-O 3.38Å; L627-S670 PolarHBondContact N-O 3.09Å; A628-S670 PolarHBondContact N-O 3.38Å; S670-W704 VanDerWaalsContact OG-CZ2 3.25Å; S670-W704 WeakPolarHBondContact OG-CZ2 3.36Å; S670-E731 WeakPolarHBondContact CB-OE1 3.22Å; S670-E731 WeakPolarHBondContact CB-OE2 3.5Å; S670-E731 PolarHBondContact OG-OE1 2.81Å; S670-E731 PolarHBondContact OG-OE2 2.91Å
671	R	91	Very high	90.7	Very high	90 Å²	90	33.4 Å²	33.4	34%	0.34	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-26.1	173.2	-63.6	177.8	177.8	168	-2.6	113.4	A628 S669 E700 N701	A628-R671 HydrophobicContact CB-CG 4.18Å; S669-R671 PolarHBondContact O-N 3.05Å; S669-R671 VanDerWaalsContact O-N 3.13Å; R671-E700 IonicContact CZ-OE2 3.66Å; R671-E700 IonicContact NH1-OE2 2.78Å; R671-E700 IonicContact NH2-OE2 3.71Å; R671-E700 PolarHBondContact NH2-OE2 3.41Å; R671-E700 VanDerWaalsContact NH2-OE2 3.1Å; R671-N701 PolarHBondContact NH1-OD1 2.91Å
672	S	91.8	Very high	91	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-10.4	176.2	69.1	0	0	0	0	113	S669 L674 S684	S669-S672 PolarHBondContact N-OG 3.1Å; S669-S672 PolarHBondContact O-N 2.89Å; S669-S672 PolarHBondContact O-OG 3.46Å; S669-S672 PolarHBondContact OG-N 2.76Å; S672-L674 PolarHBondContact O-N 2.97Å; S672-S684 PolarHBondContact O-N 3.16Å
673	C	94.6	Very high	91.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	99	170.9	-66	0	0	0	0	109.8	S626 L627 I650 S669 V681	S626-C673 CarbonylContact C-O 3.54Å; S626-C673 WeakPolarHBondContact CA-O 3.44Å; L627-C673 HydrophobicContact CB-CB 4Å; L627-C673 HydrophobicContact CD2-CB 4.33Å; L627-C673 PolarHBondContact N-O 3.48Å; I650-C673 HydrophobicContact CD1-CB 4.47Å; S669-C673 PolarHBondContact O-N 3.41Å; C673-V681 HydrophobicContact CB-CG1 3.7Å
674	L	93.5	Very high	91.4	Very high	23 Å²	23	26.5 Å²	26.5	12%	0.12	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	155.7	-179.5	-57	-178.2	0	0	0	111.7	N603 C622 G625 S672 V681 K682	N603-L674 WeakPolarHBondContact ND2-CD1 3.43Å; C622-L674 HydrophobicContact CB-CB 3.6Å; C622-L674 HydrophobicContact CB-CD1 4.15Å; C622-L674 HydrophobicContact CB-CG 4.46Å; G625-L674 CarbonylContact O-C 3.57Å; G625-L674 WeakPolarHBondContact O-CA 3.4Å; S672-L674 PolarHBondContact O-N 2.97Å; L674-V681 CarbonylContact O-C 3.49Å; L674-V681 VanDerWaalsContact O-CA 3.32Å; L674-V681 WeakPolarHBondContact O-CA 3.29Å; L674-K682 PolarHBondContact N-O 2.95Å; L674-K682 PolarHBondContact O-N 3.15Å
675	I	90.8	Very high	91.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.7	-179.7	-59.5	173.4	0	0	0	109.5	C622 R624 G625 L627 V630 L646 W679 Q680 V681	C622-I675 CarbonylContact C-O 3.57Å; C622-I675 WeakPolarHBondContact CB-O 3.42Å; R624-I675 HydrophobicContact CB-CB 3.97Å; R624-I675 HydrophobicContact CB-CG2 3.91Å; R624-I675 WeakPolarHBondContact CB-O 3.08Å; R624-I675 HydrophobicContact CG-CG2 4.35Å; R624-I675 PolarHBondContact N-O 2.93Å; R624-I675 VanDerWaalsContact N-O 3.08Å; G625-I675 PolarHBondContact O-N 3.27Å; L627-I675 HydrophobicContact CB-CD1 4.49Å; L627-I675 HydrophobicContact CD1-CD1 4.06Å; V630-I675 HydrophobicContact CB-CD1 4.17Å; V630-I675 HydrophobicContact CG2-CD1 3.67Å; L646-I675 HydrophobicContact CD2-CD1 4.31Å; I675-W679 HydrophobicContact CG2-CE3 3.82Å; I675-W679 HydrophobicContact CG2-CZ3 4.44Å; I675-Q680 WeakPolarHBondContact CA-O 3.44Å; I675-V681 HydrophobicContact CG1-CG2 4.28Å
676	D	88.5	Confident	91	Very high	17 Å²	17	24.4 Å²	24.4	9%	0.091	11%	0.11	C	C	.	.			trans	-83.8	-174.9	178.6	72.8	7.5	0	0	0	113	R624 R678 W679 Q680 K682	R624-D676 WeakPolarHBondContact CD-O 3.48Å; R624-D676 VanDerWaalsContact CG-O 3.31Å; R624-D676 WeakPolarHBondContact CG-O 3.49Å; R624-D676 PolarHBondContact NE-O 3.24Å; D676-R678 PolarHBondContact O-N 3.15Å; D676-R678 WeakPolarHBondContact OD1-CA 3.31Å; D676-R678 WeakPolarHBondContact OD1-CB 3.48Å; D676-R678 PolarHBondContact OD1-N 3.44Å; D676-W679 PolarHBondContact O-N 3.39Å; D676-W679 PolarHBondContact OD1-N 2.86Å; D676-W679 VanDerWaalsContact OD1-N 3.15Å; D676-Q680 PolarHBondContact N-O 2.9Å; D676-Q680 PolarHBondContact OD1-N 2.72Å; D676-K682 HydrophobicContact CB-CD 4.49Å; D676-K682 WeakPolarHBondContact OD2-CE 3.48Å; D676-K682 IonicContact OD2-NZ 3.71Å
677	D	84	Confident	90.8	Very high	100 Å²	100	24.2 Å²	24.2	54%	0.535	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.7	179.2	57.5	-23.6	0	0	0	113.4	S623 R624	S623-D677 PolarHBondContact OG-N 3.25Å; R624-D677 PolarHBondContact NH2-O 3.46Å
678	R	85.3	Confident	90.5	Very high	144 Å²	144	24.4 Å²	24.4	54%	0.543	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	7.9	178.7	-60.4	-176.8	176.6	-171.1	-3.4	114.2	D676 Q680 M816	D676-R678 PolarHBondContact O-N 3.15Å; D676-R678 WeakPolarHBondContact OD1-CA 3.31Å; D676-R678 WeakPolarHBondContact OD1-CB 3.48Å; D676-R678 PolarHBondContact OD1-N 3.44Å; R678-Q680 HydrophobicContact CB-CG 4.36Å; R678-Q680 PolarHBondContact O-N 3.06Å; R678-M816 HydrophobicContact CB-SD 4.17Å; R678-M816 HydrophobicContact CG-CE 4.17Å; R678-M816 HydrophobicContact CG-SD 4.03Å
679	W	85.7	Confident	89.9	Confident	23 Å²	23	27 Å²	27	9%	0.087	12%	0.124	C	C	.	.	S	Bend	trans	64.7	19.7	-176.9	-69	107.7	0	0	0	114.7	R624 V630 M636 F642 I675 D676 L815	R624-W679 VanDerWaalsContact CZ-NE1 3.27Å; R624-W679 VanDerWaalsContact NH1-CE2 3.33Å; V630-W679 HydrophobicContact CG1-CZ3 4.17Å; V630-W679 HydrophobicContact CG2-CZ3 4.43Å; M636-W679 HydrophobicContact CE-CH2 3.98Å; M636-W679 HydrophobicContact CE-CZ2 3.73Å; M636-W679 HydrophobicContact SD-CH2 3.16Å; M636-W679 WeakPolarHBondContact SD-CH2 3.35Å; M636-W679 HydrophobicContact SD-CZ2 3.2Å; M636-W679 WeakPolarHBondContact SD-CZ2 3.43Å; M636-W679 HydrophobicContact SD-CZ3 4.11Å; F642-W679 HydrophobicContact CE1-CE3 4.46Å; F642-W679 HydrophobicContact CE1-CZ3 4.39Å; F642-W679 HydrophobicContact CE2-CD2 4.05Å; F642-W679 HydrophobicContact CE2-CE3 4.08Å; F642-W679 HydrophobicContact CE2-CG 4.35Å; F642-W679 HydrophobicContact CE2-CZ3 4.48Å; F642-W679 AromaticContact CZ-CD2 3.87Å; F642-W679 HydrophobicContact CZ-CD2 3.87Å; F642-W679 AromaticContact CZ-CE3 3.42Å; F642-W679 HydrophobicContact CZ-CE3 3.42Å; F642-W679 VanDerWaalsContact CZ-CE3 3.42Å; F642-W679 HydrophobicContact CZ-CH2 4.17Å; F642-W679 AromaticContact CZ-CZ3 3.59Å; F642-W679 HydrophobicContact CZ-CZ3 3.59Å; I675-W679 HydrophobicContact CG2-CE3 3.82Å; I675-W679 HydrophobicContact CG2-CZ3 4.44Å; D676-W679 PolarHBondContact O-N 3.39Å; D676-W679 PolarHBondContact OD1-N 2.86Å; D676-W679 VanDerWaalsContact OD1-N 3.15Å; W679-L815 HydrophobicContact CB-CD2 3.91Å; W679-L815 HydrophobicContact CB-CG 4.32Å; W679-L815 WeakPolarHBondContact O-CD2 3.37Å
680	Q	90.3	Very high	89.1	Confident	42 Å²	42	33 Å²	33	20%	0.196	15%	0.151	C	C	.	.			trans	-86.6	137.4	174.8	-64.3	-173.4	-48.7	0	0	110.5	D649 I675 D676 R678	D649-Q680 WeakPolarHBondContact OD2-CA 3.36Å; I675-Q680 WeakPolarHBondContact CA-O 3.44Å; D676-Q680 PolarHBondContact N-O 2.9Å; D676-Q680 PolarHBondContact OD1-N 2.72Å; R678-Q680 HydrophobicContact CB-CG 4.36Å; R678-Q680 PolarHBondContact O-N 3.06Å
681	V	93.7	Very high	88.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.3	174.2	-172.5	0	0	0	0	109.8	N601 L646 D649 I650 C673 L674 I675	N601-V681 WeakPolarHBondContact CA-O 3.43Å; N601-V681 WeakPolarHBondContact CB-O 3.1Å; N601-V681 PolarHBondContact ND2-O 2.82Å; N601-V681 VanDerWaalsContact ND2-O 3.16Å; L646-V681 HydrophobicContact CB-CG2 4Å; L646-V681 HydrophobicContact CD2-CG2 3.47Å; L646-V681 VanDerWaalsContact CD2-CG2 3.47Å; L646-V681 HydrophobicContact CG-CG2 4.31Å; D649-V681 HydrophobicContact CB-CB 3.75Å; D649-V681 HydrophobicContact CB-CG2 4.06Å; D649-V681 PolarHBondContact OD2-N 3.04Å; D649-V681 VanDerWaalsContact OD2-N 3.13Å; I650-V681 HydrophobicContact CD1-CG1 4.34Å; I650-V681 HydrophobicContact CG1-CB 4.14Å; I650-V681 HydrophobicContact CG1-CG1 3.6Å; I650-V681 HydrophobicContact CG1-CG2 4.39Å; C673-V681 HydrophobicContact CB-CG1 3.7Å; L674-V681 CarbonylContact O-C 3.49Å; L674-V681 VanDerWaalsContact O-CA 3.32Å; L674-V681 WeakPolarHBondContact O-CA 3.29Å; I675-V681 HydrophobicContact CG1-CG2 4.28Å
682	K	94.5	Very high	87.9	Confident	32 Å²	32	29.6 Å²	29.6	14%	0.139	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	110.2	176.6	-68.6	-170.2	-176.9	-67.4	0	110.2	D600 N603 L674 D676 S684	D600-K682 PolarHBondContact O-NZ 3.46Å; N603-K682 HydrophobicContact CB-CB 4.08Å; L674-K682 PolarHBondContact N-O 2.95Å; L674-K682 PolarHBondContact O-N 3.15Å; D676-K682 HydrophobicContact CB-CD 4.49Å; D676-K682 WeakPolarHBondContact OD2-CE 3.48Å; D676-K682 IonicContact OD2-NZ 3.71Å; K682-S684 PolarHBondContact O-N 3.3Å
683	I	95.9	Very high	87.1	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	118.8	175.9	-56.6	177.8	0	0	0	108.6	N601 L602 N603 I650 L654 I657 H665 L668 F686	N601-I683 PolarHBondContact O-N 3.21Å; L602-I683 HydrophobicContact CD2-CB 3.88Å; N603-I683 PolarHBondContact N-O 3.47Å; I650-I683 HydrophobicContact CG2-CD1 4.11Å; I650-I683 WeakPolarHBondContact O-CD1 3.44Å; L654-I683 HydrophobicContact CB-CD1 4.25Å; I657-I683 HydrophobicContact CD1-CG2 4.16Å; H665-I683 WeakPolarHBondContact CD2-CG2 3.19Å; H665-I683 WeakPolarHBondContact NE2-CG2 3.44Å; L668-I683 HydrophobicContact CD1-CD1 4.2Å; L668-I683 HydrophobicContact CD1-CG1 4.48Å; L668-I683 HydrophobicContact CD1-CG2 3.75Å; I683-F686 VanDerWaalsContact O-CD1 3.31Å; I683-F686 WeakPolarHBondContact O-CD1 3.35Å; I683-F686 WeakPolarHBondContact O-CE1 3.4Å
684	S	92.4	Very high	86.2	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.021	19%	0.189	C	C	.	.			trans	-104	173.7	175.7	-167.1	0	0	0	0	110.2	N603 H665 S672 K682 F686	N603-S684 PolarHBondContact ND2-OG 2.82Å; H665-S684 PolarHBondContact NE2-O 3.31Å; S672-S684 PolarHBondContact O-N 3.16Å; K682-S684 PolarHBondContact O-N 3.3Å; S684-F686 VanDerWaalsContact C-N 3.3Å; S684-F686 PolarHBondContact O-N 3.31Å
685	D	87.6	Confident	85.4	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.191	C	C	.	.	S	Bend	trans	60.8	37.3	174.4	-52.7	-2.3	0	0	0	112.7	R561 N575 H665 R692	R561-D685 IonicContact CZ-OD2 3.61Å; R561-D685 IonicContact NE-OD2 2.61Å; R561-D685 IonicContact NH2-OD2 3.12Å; R561-D685 PolarHBondContact NH2-OD2 3.14Å; N575-D685 PolarHBondContact ND2-OD1 3.01Å; H665-D685 PolarHBondContact CE1-O 2.93Å; H665-D685 VanDerWaalsContact CE1-O 3.26Å; H665-D685 PolarHBondContact NE2-O 3.1Å; D685-R692 PolarHBondContact O-NH1 3.18Å; D685-R692 PolarHBondContact O-NH2 3.37Å; D685-R692 VanDerWaalsContact O-NH2 3.09Å
686	F	91	Very high	84.6	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	23%	0.231	C	C	.	.			trans	-92	157.7	167.9	54	-100.3	0	0	0	110.9	M594 L597 L602 N603 W619 I657 L662 I683 S684	M594-F686 HydrophobicContact CG-CD2 4.25Å; M594-F686 HydrophobicContact CG-CE2 3.82Å; M594-F686 HydrophobicContact SD-CD2 4.33Å; M594-F686 HydrophobicContact SD-CE2 4.41Å; L597-F686 HydrophobicContact CD1-CE2 4.17Å; L602-F686 HydrophobicContact CB-CE1 3.85Å; L602-F686 HydrophobicContact CB-CZ 4.22Å; L602-F686 HydrophobicContact CD1-CD1 4.49Å; L602-F686 HydrophobicContact CD1-CE1 4Å; L602-F686 HydrophobicContact CD1-CZ 4.01Å; L602-F686 HydrophobicContact CD2-CD1 4.12Å; L602-F686 HydrophobicContact CD2-CE1 4.04Å; L602-F686 HydrophobicContact CG-CE1 4.19Å; N603-F686 WeakPolarHBondContact O-CE1 3.4Å; N603-F686 WeakPolarHBondContact O-CZ 3.11Å; W619-F686 HydrophobicContact CH2-CD1 4.45Å; W619-F686 HydrophobicContact CH2-CD2 4.33Å; W619-F686 HydrophobicContact CH2-CE1 4.43Å; W619-F686 HydrophobicContact CH2-CE2 4.34Å; W619-F686 HydrophobicContact CH2-CG 4.41Å; W619-F686 HydrophobicContact CH2-CZ 4.4Å; W619-F686 WeakPolarHBondContact CH2-O 3.36Å; W619-F686 HydrophobicContact CZ3-CD1 4.18Å; W619-F686 AromaticContact CZ3-CE1 3.79Å; W619-F686 HydrophobicContact CZ3-CE1 3.79Å; W619-F686 HydrophobicContact CZ3-CE2 4.19Å; W619-F686 AromaticContact CZ3-CZ 3.81Å; W619-F686 HydrophobicContact CZ3-CZ 3.81Å; I657-F686 HydrophobicContact CD1-CB 3.89Å; I657-F686 HydrophobicContact CD1-CD1 4.3Å; I657-F686 HydrophobicContact CD1-CG 4.27Å; L662-F686 HydrophobicContact CD1-CB 4.21Å; L662-F686 HydrophobicContact CD1-CD2 3.4Å; L662-F686 HydrophobicContact CD1-CE2 4.09Å; L662-F686 HydrophobicContact CD1-CG 4.11Å; I683-F686 VanDerWaalsContact O-CD1 3.31Å; I683-F686 WeakPolarHBondContact O-CD1 3.35Å; I683-F686 WeakPolarHBondContact O-CE1 3.4Å; S684-F686 VanDerWaalsContact C-N 3.3Å; S684-F686 PolarHBondContact O-N 3.31Å
687	G	86	Confident	83.8	Confident	2 Å²	2	48.5 Å²	48.5	2%	0.021	24%	0.239	C	C	.	.	S	Bend	trans	66.3	-158.5	-176.6	0	0	0	0	0	113.1	N689 R692	G687-N689 PolarHBondContact O-N 3.34Å; G687-R692 WeakPolarHBondContact O-CD 3.47Å
688	L	83.8	Confident	83.6	Confident	24 Å²	24	46.3 Å²	46.3	13%	0.126	23%	0.232	C	C	.	.			trans	52	37.6	-175.4	-59.2	174.9	0	0	0	112.8	L591 M594 F605 L608 W619 E690 V691 R692	L591-L688 HydrophobicContact CD2-CD2 3.67Å; M594-L688 HydrophobicContact CE-CD1 4.24Å; M594-L688 HydrophobicContact CE-CD2 3.85Å; M594-L688 HydrophobicContact CE-CG 3.78Å; M594-L688 HydrophobicContact SD-CG 4.44Å; F605-L688 HydrophobicContact CE2-CD1 4.15Å; L608-L688 HydrophobicContact CD1-CD2 4.27Å; L608-L688 HydrophobicContact CD2-CD1 3.99Å; L608-L688 HydrophobicContact CD2-CD2 4.16Å; W619-L688 HydrophobicContact CZ2-CD1 4.46Å; L688-E690 VanDerWaalsContact C-N 3.28Å; L688-E690 PolarHBondContact O-N 3.18Å; L688-V691 HydrophobicContact CB-CB 4.19Å; L688-V691 HydrophobicContact CB-CG2 4.36Å; L688-V691 HydrophobicContact CD2-CG2 4.4Å; L688-V691 PolarHBondContact O-N 3.32Å; L688-R692 HydrophobicContact CB-CG 4.24Å; L688-R692 WeakPolarHBondContact O-CB 3.33Å; L688-R692 WeakPolarHBondContact O-CG 3.37Å; L688-R692 PolarHBondContact O-N 2.92Å
689	N	80	Confident	83.5	Confident	55 Å²	55	41.4 Å²	41.4	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-56.7	-41.7	-172.6	-69.5	-24	0	0	0	112.1	G687 R692 G693	G687-N689 PolarHBondContact O-N 3.34Å; N689-R692 PolarHBondContact O-N 2.79Å; N689-G693 PolarHBondContact O-N 3.42Å
690	E	77	Confident	83.5	Confident	134 Å²	134	44.4 Å²	44.4	63%	0.626	23%	0.233	S	C	*	.	H	α-helix	trans	-65.4	-38.1	177.4	-65.7	-58.3	141.5	0	0	113.1	L688	L688-E690 VanDerWaalsContact C-N 3.28Å; L688-E690 PolarHBondContact O-N 3.18Å
691	V	80.3	Confident	83.3	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-69.1	-47.7	177	-179.9	0	0	0	0	109.8	H577 P581 L615 L688 M694	H577-V691 HydrophobicContact CB-CG1 3.65Å; H577-V691 VanDerWaalsContact CG-CG1 3.43Å; P581-V691 HydrophobicContact CG-CG2 3.75Å; L615-V691 HydrophobicContact CD2-CB 4.47Å; L615-V691 HydrophobicContact CD2-CG1 3.57Å; L615-V691 HydrophobicContact CD2-CG2 3.99Å; L688-V691 HydrophobicContact CB-CB 4.19Å; L688-V691 HydrophobicContact CB-CG2 4.36Å; L688-V691 HydrophobicContact CD2-CG2 4.4Å; L688-V691 PolarHBondContact O-N 3.32Å; V691-M694 PolarHBondContact O-N 2.88Å
692	R	79.7	Confident	83.1	Confident	14 Å²	14	45.8 Å²	45.8	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-80.9	-22.2	-171.4	-64.2	175.8	68	-156.8	17.8	113.9	Y667 D685 G687 L688 N689 M694 D695	Y667-R692 VanDerWaalsContact CD2-CZ 3.47Å; Y667-R692 HydrophobicContact CE2-CB 4.13Å; Y667-R692 PolarHBondContact OH-O 3.36Å; D685-R692 PolarHBondContact O-NH1 3.18Å; D685-R692 PolarHBondContact O-NH2 3.37Å; D685-R692 VanDerWaalsContact O-NH2 3.09Å; G687-R692 WeakPolarHBondContact O-CD 3.47Å; L688-R692 HydrophobicContact CB-CG 4.24Å; L688-R692 WeakPolarHBondContact O-CB 3.33Å; L688-R692 WeakPolarHBondContact O-CG 3.37Å; L688-R692 PolarHBondContact O-N 2.92Å; N689-R692 PolarHBondContact O-N 2.79Å; R692-M694 PolarHBondContact O-N 2.84Å; R692-D695 PolarHBondContact O-N 2.89Å
693	G	75.3	Confident	83	Confident	50 Å²	50	44.3 Å²	44.3	52%	0.515	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.9	171.8	0	0	0	0	0	112.7	Y667 N689	Y667-G693 VanDerWaalsContact OH-CA 3.31Å; Y667-G693 WeakPolarHBondContact OH-CA 3.43Å; Y667-G693 PolarHBondContact OH-N 2.98Å; N689-G693 PolarHBondContact O-N 3.42Å
694	M	75.4	Confident	82.9	Confident	111 Å²	111	44.8 Å²	44.8	55%	0.547	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-9.4	-174.4	-60.7	-70.5	-85.9	0	0	113.7	F579 V691 R692	F579-M694 HydrophobicContact CB-CB 3.55Å; F579-M694 HydrophobicContact CB-CG 4.28Å; F579-M694 HydrophobicContact CD1-CB 4.07Å; F579-M694 HydrophobicContact CD1-CE 4.49Å; F579-M694 HydrophobicContact CD1-CG 3.86Å; F579-M694 HydrophobicContact CD2-CE 3.91Å; F579-M694 HydrophobicContact CE1-CE 4.45Å; F579-M694 HydrophobicContact CE1-CG 4.34Å; F579-M694 HydrophobicContact CE2-CE 3.87Å; F579-M694 HydrophobicContact CG-CB 3.82Å; F579-M694 HydrophobicContact CG-CE 4.24Å; F579-M694 HydrophobicContact CG-CG 4Å; F579-M694 HydrophobicContact CZ-CE 4.15Å; V691-M694 PolarHBondContact O-N 2.88Å; R692-M694 PolarHBondContact O-N 2.84Å
695	D	76.5	Confident	82.9	Confident	32 Å²	32	46.1 Å²	46.1	17%	0.171	24%	0.241	C	C	.	.	S	Bend	trans	-71.1	139.2	178.9	-73.2	-25	0	0	0	111.2	H577 D578 R692 L697	H577-D695 WeakPolarHBondContact CA-OD1 3.25Å; H577-D695 IonicContact CE1-OD2 3.72Å; H577-D695 IonicContact CG-OD2 3.43Å; H577-D695 IonicContact ND1-OD1 2.77Å; H577-D695 IonicContact ND1-OD2 3.68Å; H577-D695 PolarHBondContact ND1-OD2 2.83Å; D578-D695 PolarHBondContact N-OD1 2.9Å; R692-D695 PolarHBondContact O-N 2.89Å; D695-L697 PolarHBondContact O-N 2.03Å; D695-L697 VanDerWaalsContact O-N 3.13Å
696	K	73	Confident	83.2	Confident	193 Å²	193	46 Å²	46	84%	0.839	24%	0.24	S	C	*	.			trans	-72.3	106.6	175.1	-70.9	-180	-178.4	174.9	0	110.6	D578	D578-K696 PolarHBondContact OD2-N 3.29Å
697	L	72.3	Confident	83.2	Confident	50 Å²	50	45.9 Å²	45.9	26%	0.262	24%	0.24	S	C	.	.			trans	-89.5	133.2	175.8	-72.9	122.5	0	0	0	112.3	Y667 D695 N701 M702 W705	Y667-L697 HydrophobicContact CD1-CD1 4.49Å; Y667-L697 HydrophobicContact CD1-CD2 4.33Å; Y667-L697 HydrophobicContact CE1-CD1 3.82Å; Y667-L697 HydrophobicContact CE1-CD2 4.45Å; D695-L697 PolarHBondContact O-N 2.03Å; D695-L697 VanDerWaalsContact O-N 3.13Å; L697-N701 HydrophobicContact CD2-CB 3.96Å; L697-M702 HydrophobicContact CB-CE 4.34Å; L697-W705 HydrophobicContact CD1-CH2 4.05Å; L697-W705 HydrophobicContact CD1-CZ2 3.93Å; L697-W705 HydrophobicContact CD2-CZ2 4.03Å; L697-W705 HydrophobicContact CG-CZ2 4.4Å
698	S	79.8	Confident	83.5	Confident	54 Å²	54	46.1 Å²	46.1	38%	0.378	24%	0.241	S	C	.	.			trans	-67.3	152.2	169	64.3	0	0	0	0	111.7	E700 N701	S698-E700 PolarHBondContact O-N 3.47Å; S698-N701 WeakPolarHBondContact O-CB 3.4Å; S698-N701 PolarHBondContact O-N 3.45Å; S698-N701 PolarHBondContact OG-ND2 2.93Å; S698-N701 VanDerWaalsContact OG-ND2 3.1Å
699	T	84.1	Confident	83.8	Confident	42 Å²	42	46.1 Å²	46.1	26%	0.258	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-54.9	-38.5	177.9	-40	0	0	0	0	112.3	N701 M702 P748 E749 I752	T699-N701 VanDerWaalsContact C-N 3.3Å; T699-N701 PolarHBondContact O-N 2.9Å; T699-M702 VanDerWaalsContact O-CB 3.29Å; T699-M702 WeakPolarHBondContact O-CB 3.33Å; T699-M702 PolarHBondContact O-N 3.27Å; T699-P748 HydrophobicContact CG2-CB 4.24Å; T699-E749 VanDerWaalsContact CB-OE1 3.25Å; T699-E749 WeakPolarHBondContact CB-OE1 3.4Å; T699-E749 HydrophobicContact CG2-CB 4.39Å; T699-E749 HydrophobicContact CG2-CG 3.89Å; T699-E749 PolarHBondContact OG1-OE1 3.42Å; T699-I752 HydrophobicContact CG2-CG1 4.04Å
700	E	85.8	Confident	84.3	Confident	86 Å²	86	44 Å²	44	40%	0.402	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-58.1	-39.6	176.5	-68.8	177.4	-165.4	0	0	112.8	R671 S698 M702 L703 W704 P748	R671-E700 IonicContact CZ-OE2 3.66Å; R671-E700 IonicContact NH1-OE2 2.78Å; R671-E700 IonicContact NH2-OE2 3.71Å; R671-E700 PolarHBondContact NH2-OE2 3.41Å; R671-E700 VanDerWaalsContact NH2-OE2 3.1Å; S698-E700 PolarHBondContact O-N 3.47Å; E700-M702 PolarHBondContact O-N 3.3Å; E700-M702 VanDerWaalsContact O-N 3.15Å; E700-L703 WeakPolarHBondContact O-CB 3.33Å; E700-L703 WeakPolarHBondContact O-CG 3.45Å; E700-L703 PolarHBondContact O-N 2.92Å; E700-L703 VanDerWaalsContact O-N 3.12Å; E700-W704 WeakPolarHBondContact O-CZ3 3.21Å; E700-P748 HydrophobicContact CG-CB 4.32Å; E700-P748 HydrophobicContact CG-CG 3.98Å
701	N	85.1	Confident	84.9	Confident	24 Å²	24	41.4 Å²	41.4	13%	0.128	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-67.6	-14.3	179	-71.2	-33.7	0	0	0	112.6	R671 L697 S698 T699 W705	R671-N701 PolarHBondContact NH1-OD1 2.91Å; L697-N701 HydrophobicContact CD2-CB 3.96Å; S698-N701 WeakPolarHBondContact O-CB 3.4Å; S698-N701 PolarHBondContact O-N 3.45Å; S698-N701 PolarHBondContact OG-ND2 2.93Å; S698-N701 VanDerWaalsContact OG-ND2 3.1Å; T699-N701 VanDerWaalsContact C-N 3.3Å; T699-N701 PolarHBondContact O-N 2.9Å; N701-W705 PolarHBondContact O-NE1 3.17Å
702	M	89.8	Confident	85	Confident	47 Å²	47	44.3 Å²	44.3	23%	0.232	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-84.4	-8.5	176.6	-56.4	-175.8	-178.4	0	0	112.9	L697 T699 E700 W704 W705 L710 I752	L697-M702 HydrophobicContact CB-CE 4.34Å; T699-M702 VanDerWaalsContact O-CB 3.29Å; T699-M702 WeakPolarHBondContact O-CB 3.33Å; T699-M702 PolarHBondContact O-N 3.27Å; E700-M702 PolarHBondContact O-N 3.3Å; E700-M702 VanDerWaalsContact O-N 3.15Å; M702-W704 PolarHBondContact O-N 3.5Å; M702-W705 HydrophobicContact CB-CD2 4.2Å; M702-W705 HydrophobicContact CB-CE3 4.39Å; M702-W705 HydrophobicContact CB-CG 4.42Å; M702-W705 HydrophobicContact CE-CH2 4.36Å; M702-W705 HydrophobicContact CE-CZ3 4.46Å; M702-W705 HydrophobicContact CG-CD2 4.23Å; M702-W705 HydrophobicContact CG-CE3 4.19Å; M702-W705 HydrophobicContact CG-CH2 4.23Å; M702-W705 HydrophobicContact CG-CZ2 4.3Å; M702-W705 HydrophobicContact CG-CZ3 4.18Å; M702-W705 VanDerWaalsContact O-CB 3.28Å; M702-W705 WeakPolarHBondContact O-CB 3.44Å; M702-W705 PolarHBondContact O-N 2.94Å; M702-W705 HydrophobicContact SD-CZ3 4.41Å; M702-L710 HydrophobicContact CB-CD2 4.06Å; M702-I752 HydrophobicContact CB-CD1 3.72Å; M702-I752 HydrophobicContact CB-CG1 4.36Å; M702-I752 WeakPolarHBondContact O-CD1 3.5Å
703	L	92.8	Very high	84.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28	-177.1	-69.3	170.6	0	0	0	113.3	E700 W705 F739 L741 P748 I751 I752	E700-L703 WeakPolarHBondContact O-CB 3.33Å; E700-L703 WeakPolarHBondContact O-CG 3.45Å; E700-L703 PolarHBondContact O-N 2.92Å; E700-L703 VanDerWaalsContact O-N 3.12Å; L703-W705 VanDerWaalsContact C-N 3.3Å; L703-F739 HydrophobicContact CB-CD2 4.35Å; L703-F739 HydrophobicContact CB-CE2 4.46Å; L703-F739 HydrophobicContact CD2-CD2 4.3Å; L703-F739 WeakPolarHBondContact O-CE2 3.45Å; L703-L741 HydrophobicContact CD1-CD1 3.67Å; L703-L741 HydrophobicContact CD1-CD2 4.22Å; L703-L741 HydrophobicContact CD1-CG 4.29Å; L703-P748 HydrophobicContact CD1-CB 4.48Å; L703-I751 HydrophobicContact CD2-CB 4.17Å; L703-I751 HydrophobicContact CD2-CG2 3.9Å; L703-I752 HydrophobicContact CD2-CD1 4.11Å; L703-I752 HydrophobicContact CD2-CG1 4.25Å
704	W	94.2	Very high	83.9	Confident	9 Å²	9	52.4 Å²	52.4	3%	0.034	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.2	174	-63.6	-89.9	0	0	0	113.2	L668 S670 E700 M702 S724 I727 E731 A738	L668-W704 WeakPolarHBondContact O-CB 3.25Å; S670-W704 VanDerWaalsContact OG-CZ2 3.25Å; S670-W704 WeakPolarHBondContact OG-CZ2 3.36Å; E700-W704 WeakPolarHBondContact O-CZ3 3.21Å; M702-W704 PolarHBondContact O-N 3.5Å; W704-S724 VanDerWaalsContact O-CA 3.31Å; W704-S724 WeakPolarHBondContact O-CA 3.49Å; W704-S724 WeakPolarHBondContact O-CB 3.27Å; W704-S724 PolarHBondContact O-OG 2.93Å; W704-I727 HydrophobicContact CG-CG2 4.28Å; W704-E731 PolarHBondContact NE1-OE2 3.35Å; W704-A738 HydrophobicContact CH2-CB 4.18Å; W704-A738 HydrophobicContact CZ2-CB 3.51Å
705	W	92.4	Very high	84	Confident	31 Å²	31	55.6 Å²	55.6	12%	0.117	29%	0.287	C	S	.	.	S	Bend	trans	-78.2	142.3	-173.1	-65.3	12.3	0	0	0	111.3	Y667 L697 N701 M702 L703 V709 L710 R716 Y723	Y667-W705 HydrophobicContact CD1-CZ2 4.12Å; Y667-W705 HydrophobicContact CE1-CZ2 4.08Å; L697-W705 HydrophobicContact CD1-CH2 4.05Å; L697-W705 HydrophobicContact CD1-CZ2 3.93Å; L697-W705 HydrophobicContact CD2-CZ2 4.03Å; L697-W705 HydrophobicContact CG-CZ2 4.4Å; N701-W705 PolarHBondContact O-NE1 3.17Å; M702-W705 HydrophobicContact CB-CD2 4.2Å; M702-W705 HydrophobicContact CB-CE3 4.39Å; M702-W705 HydrophobicContact CB-CG 4.42Å; M702-W705 HydrophobicContact CE-CH2 4.36Å; M702-W705 HydrophobicContact CE-CZ3 4.46Å; M702-W705 HydrophobicContact CG-CD2 4.23Å; M702-W705 HydrophobicContact CG-CE3 4.19Å; M702-W705 HydrophobicContact CG-CH2 4.23Å; M702-W705 HydrophobicContact CG-CZ2 4.3Å; M702-W705 HydrophobicContact CG-CZ3 4.18Å; M702-W705 VanDerWaalsContact O-CB 3.28Å; M702-W705 WeakPolarHBondContact O-CB 3.44Å; M702-W705 PolarHBondContact O-N 2.94Å; M702-W705 HydrophobicContact SD-CZ3 4.41Å; L703-W705 VanDerWaalsContact C-N 3.3Å; W705-V709 HydrophobicContact CE3-CG1 4.1Å; W705-L710 HydrophobicContact CB-CD1 4.43Å; W705-L710 HydrophobicContact CB-CD2 3.91Å; W705-L710 HydrophobicContact CB-CG 3.92Å; W705-L710 HydrophobicContact CD2-CD2 4.45Å; W705-L710 HydrophobicContact CE3-CD2 3.88Å; W705-R716 VanDerWaalsContact CZ2-NH2 3.33Å; W705-Y723 VanDerWaalsContact O-CE1 3.23Å; W705-Y723 WeakPolarHBondContact O-CE1 3.47Å
706	A	92.9	Very high	84.5	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.008	29%	0.288	C	S	.	.			trans	-67.9	146.4	178.8	0	0	0	0	0	112	E708 V709 L710 A720 Y723	A706-E708 VanDerWaalsContact C-N 3.27Å; A706-E708 WeakPolarHBondContact CB-OE1 3.49Å; A706-E708 WeakPolarHBondContact CB-OE2 3.39Å; A706-E708 PolarHBondContact O-N 2.95Å; A706-V709 HydrophobicContact CB-CG2 4.32Å; A706-V709 PolarHBondContact O-N 3.44Å; A706-L710 PolarHBondContact O-N 2.86Å; A706-A720 HydrophobicContact CB-CB 3.93Å; A706-Y723 VanDerWaalsContact CA-CD1 3.48Å; A706-Y723 HydrophobicContact CB-CD1 3.98Å; A706-Y723 HydrophobicContact CB-CD2 4.42Å; A706-Y723 HydrophobicContact CB-CG 3.79Å
707	P	91.8	Very high	85.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-37.4	-177.1	-27	34.4	0	0	0	114.2	L710 R711 Y723	P707-L710 PolarHBondContact O-N 3.23Å; P707-R711 WeakPolarHBondContact O-CB 3.37Å; P707-R711 WeakPolarHBondContact O-CD 3.42Å; P707-R711 WeakPolarHBondContact O-CG 3.37Å; P707-R711 PolarHBondContact O-N 2.82Å; P707-Y723 VanDerWaalsContact CD-CE2 3.45Å; P707-Y723 HydrophobicContact CG-CE2 3.95Å
708	E	91.4	Very high	86.5	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-36.3	177.6	68.8	-77.5	-175	0	0	113.2	A706 R711 G712 L713 P791 R794	A706-E708 VanDerWaalsContact C-N 3.27Å; A706-E708 WeakPolarHBondContact CB-OE1 3.49Å; A706-E708 WeakPolarHBondContact CB-OE2 3.39Å; A706-E708 PolarHBondContact O-N 2.95Å; E708-R711 PolarHBondContact O-N 2.88Å; E708-G712 PolarHBondContact O-N 3.35Å; E708-L713 PolarHBondContact O-N 2.88Å; E708-L713 VanDerWaalsContact O-N 3.07Å; E708-P791 HydrophobicContact CB-CG 4.18Å; E708-P791 HydrophobicContact CG-CG 3.75Å; E708-R794 IonicContact OE1-CZ 3.63Å; E708-R794 IonicContact OE1-NH1 3.86Å; E708-R794 PolarHBondContact OE1-NH1 3.43Å; E708-R794 IonicContact OE1-NH2 2.78Å; E708-R794 PolarHBondContact OE1-NH2 2.79Å; E708-R794 IonicContact OE2-CZ 3.4Å; E708-R794 IonicContact OE2-NH1 3.74Å; E708-R794 IonicContact OE2-NH2 3.01Å; E708-R794 PolarHBondContact OE2-NH2 3.27Å
709	V	90.7	Very high	87.2	Confident	24 Å²	24	50.8 Å²	50.8	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-70.4	-42.1	174.4	179.7	0	0	0	0	109.6	W705 A706 R711 G712 R716 A720	W705-V709 HydrophobicContact CE3-CG1 4.1Å; A706-V709 HydrophobicContact CB-CG2 4.32Å; A706-V709 PolarHBondContact O-N 3.44Å; V709-R711 VanDerWaalsContact C-N 3.27Å; V709-R711 PolarHBondContact O-N 3.2Å; V709-G712 PolarHBondContact O-N 2.97Å; V709-G712 VanDerWaalsContact O-N 3.16Å; V709-R716 HydrophobicContact CG1-CG 4.38Å; V709-A720 HydrophobicContact CG2-CB 3.71Å
710	L	90.1	Very high	87.7	Confident	10 Å²	10	49.1 Å²	49.1	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-31.1	177	-70.4	174.1	0	0	0	113.2	M702 W705 A706 P707 I752 L755 K756	M702-L710 HydrophobicContact CB-CD2 4.06Å; W705-L710 HydrophobicContact CB-CD1 4.43Å; W705-L710 HydrophobicContact CB-CD2 3.91Å; W705-L710 HydrophobicContact CB-CG 3.92Å; W705-L710 HydrophobicContact CD2-CD2 4.45Å; W705-L710 HydrophobicContact CE3-CD2 3.88Å; A706-L710 PolarHBondContact O-N 2.86Å; P707-L710 PolarHBondContact O-N 3.23Å; L710-I752 HydrophobicContact CD1-CD1 3.97Å; L710-I752 HydrophobicContact CD2-CD1 4.16Å; L710-I752 HydrophobicContact CD2-CG2 4.2Å; L710-L755 HydrophobicContact CD1-CB 4.06Å; L710-L755 HydrophobicContact CD1-CD1 4.26Å; L710-K756 HydrophobicContact CB-CG 3.78Å; L710-K756 WeakPolarHBondContact O-CE 3.27Å; L710-K756 PolarHBondContact O-NZ 3.11Å
711	R	89.7	Confident	88.2	Confident	80 Å²	80	45 Å²	45	30%	0.302	23%	0.229	S	C	.	.	H	α-helix	trans	-80.7	-15.9	176.2	-70	163.7	-170.8	147.7	11.8	113.5	P707 E708 V709 L713 L755 K756 G758 E789	P707-R711 WeakPolarHBondContact O-CB 3.37Å; P707-R711 WeakPolarHBondContact O-CD 3.42Å; P707-R711 WeakPolarHBondContact O-CG 3.37Å; P707-R711 PolarHBondContact O-N 2.82Å; E708-R711 PolarHBondContact O-N 2.88Å; V709-R711 VanDerWaalsContact C-N 3.27Å; V709-R711 PolarHBondContact O-N 3.2Å; R711-L713 VanDerWaalsContact C-N 3.33Å; R711-L713 HydrophobicContact CB-CD1 3.81Å; R711-L713 HydrophobicContact CB-CG 3.81Å; R711-L713 HydrophobicContact CG-CD1 4.38Å; R711-L755 PolarHBondContact NH2-O 3.24Å; R711-K756 PolarHBondContact NE-O 2.89Å; R711-K756 PolarHBondContact NH2-O 3.39Å; R711-G758 VanDerWaalsContact NH2-CA 3.29Å; R711-E789 IonicContact CZ-OE1 3.52Å; R711-E789 IonicContact NH1-OE1 2.72Å; R711-E789 PolarHBondContact NH1-OE1 3.29Å; R711-E789 IonicContact NH2-OE1 3.78Å; R711-E789 PolarHBondContact NH2-OE1 3.14Å
712	G	82.6	Confident	88.7	Confident	65 Å²	65	44 Å²	44	67%	0.67	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	24.1	-174.5	0	0	0	0	0	113.7	E708 V709	E708-G712 PolarHBondContact O-N 3.35Å; V709-G712 PolarHBondContact O-N 2.97Å; V709-G712 VanDerWaalsContact O-N 3.16Å
713	L	68.2	Low	89.1	Confident	129 Å²	129	41.8 Å²	41.8	68%	0.675	21%	0.213	S	C	*	.	S	Bend	trans	-83	-31.9	-178.3	-69.8	169.4	0	0	0	112.5	E708 R711	E708-L713 PolarHBondContact O-N 2.88Å; E708-L713 VanDerWaalsContact O-N 3.07Å; R711-L713 VanDerWaalsContact C-N 3.33Å; R711-L713 HydrophobicContact CB-CD1 3.81Å; R711-L713 HydrophobicContact CB-CG 3.81Å; R711-L713 HydrophobicContact CG-CD1 4.38Å
714	E	64.4	Low	89.2	Confident	104 Å²	104	41.9 Å²	41.9	49%	0.486	21%	0.214	S	C	.	.	S	Bend	trans	-134.9	152.1	179.1	-70.8	-173.4	169.6	0	0	110.8
715	Q	75.9	Confident	89.4	Confident	179 Å²	179	41.5 Å²	41.5	84%	0.836	21%	0.212	S	C	*	.			trans	-66.8	160.1	165.2	-68.8	-175.3	-11.2	0	0	109.5	S717	Q715-S717 PolarHBondContact O-N 3.35Å
716	R	87.5	Confident	89.5	Confident	49 Å²	49	40 Å²	40	19%	0.185	21%	0.207	C	C	.	.	S	Bend	trans	-53.4	135.4	176.2	-62.1	177.3	-172	-91.9	-7.3	109.6	F664 G666 Y667 W705 V709	F664-R716 HydrophobicContact CD2-CB 4.2Å; F664-R716 HydrophobicContact CE2-CB 3.83Å; F664-R716 HydrophobicContact CZ-CB 4.42Å; G666-R716 PolarHBondContact O-NH1 2.93Å; Y667-R716 VanDerWaalsContact CD1-NH1 3.25Å; Y667-R716 VanDerWaalsContact CE1-NH1 3.33Å; Y667-R716 VanDerWaalsContact CZ-NE 3.33Å; Y667-R716 PolarHBondContact OH-NE 2.87Å; Y667-R716 PolarHBondContact OH-NH2 3.2Å; W705-R716 VanDerWaalsContact CZ2-NH2 3.33Å; V709-R716 HydrophobicContact CG1-CG 4.38Å
717	S	92.3	Very high	89.7	Confident	17 Å²	17	40 Å²	40	12%	0.119	21%	0.206	C	C	.	.			trans	-139.8	172.8	-170	66.8	0	0	0	0	111.4	Q715 E719 A720 D721	Q715-S717 PolarHBondContact O-N 3.35Å; S717-E719 VanDerWaalsContact C-N 3.26Å; S717-E719 VanDerWaalsContact CB-OE2 3.29Å; S717-E719 WeakPolarHBondContact CB-OE2 3.42Å; S717-E719 PolarHBondContact O-N 2.93Å; S717-E719 PolarHBondContact OG-OE2 3.37Å; S717-A720 PolarHBondContact O-N 3.47Å; S717-A720 PolarHBondContact OG-N 3.11Å; S717-D721 PolarHBondContact O-N 2.95Å
718	K	94.7	Very high	89.9	Confident	81 Å²	81	40 Å²	40	35%	0.352	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-39.7	174.4	-70.8	178.4	175.8	-175.7	0	110.7	H658 H663 F664 A720 D721 I722	H658-K718 HydrophobicContact CB-CD 4.29Å; H658-K718 PolarHBondContact CE1-O 3.27Å; H658-K718 WeakPolarHBondContact O-CE 3.28Å; H658-K718 PolarHBondContact O-NZ 3.41Å; H663-K718 WeakPolarHBondContact O-CE 3.36Å; H663-K718 VanDerWaalsContact O-CG 3.22Å; H663-K718 WeakPolarHBondContact O-CG 3.28Å; F664-K718 HydrophobicContact CB-CG 4.4Å; K718-A720 VanDerWaalsContact C-N 3.29Å; K718-A720 PolarHBondContact O-N 3.21Å; K718-D721 WeakPolarHBondContact O-CB 3.31Å; K718-D721 PolarHBondContact O-N 3.15Å; K718-D721 VanDerWaalsContact O-N 3.17Å; K718-I722 WeakPolarHBondContact O-CG1 3.21Å; K718-I722 PolarHBondContact O-N 2.89Å; K718-I722 VanDerWaalsContact O-N 3.14Å
719	E	94.9	Very high	90.1	Very high	81 Å²	81	39.7 Å²	39.7	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-65.5	-33.8	179.8	-61.3	71.6	-159.4	0	0	111.4	S717 I722 Y723 P791 R794	S717-E719 VanDerWaalsContact C-N 3.26Å; S717-E719 VanDerWaalsContact CB-OE2 3.29Å; S717-E719 WeakPolarHBondContact CB-OE2 3.42Å; S717-E719 PolarHBondContact O-N 2.93Å; S717-E719 PolarHBondContact OG-OE2 3.37Å; E719-I722 PolarHBondContact O-N 3.31Å; E719-Y723 PolarHBondContact O-N 2.75Å; E719-P791 HydrophobicContact CB-CB 3.96Å; E719-P791 HydrophobicContact CG-CB 4.38Å; E719-R794 WeakPolarHBondContact O-CD 3.19Å; E719-R794 PolarHBondContact O-NH1 2.92Å
720	A	94.7	Very high	90.3	Very high	6 Å²	6	38.7 Å²	38.7	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-39.1	173.4	0	0	0	0	0	111.8	A706 V709 S717 K718 I722 Y723 S724	A706-A720 HydrophobicContact CB-CB 3.93Å; V709-A720 HydrophobicContact CG2-CB 3.71Å; S717-A720 PolarHBondContact O-N 3.47Å; S717-A720 PolarHBondContact OG-N 3.11Å; K718-A720 VanDerWaalsContact C-N 3.29Å; K718-A720 PolarHBondContact O-N 3.21Å; A720-I722 VanDerWaalsContact C-N 3.32Å; A720-I722 PolarHBondContact O-N 2.83Å; A720-Y723 WeakPolarHBondContact O-CB 3.34Å; A720-Y723 PolarHBondContact O-N 3.1Å; A720-S724 PolarHBondContact O-N 3Å; A720-S724 VanDerWaalsContact O-N 3.13Å; A720-S724 PolarHBondContact O-OG 3.09Å
721	D	95.7	Very high	90.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-35.1	174.4	-68.3	-29.1	0	0	0	112.3	L654 H658 F664 H665 G666 S717 K718 Y723 S724 F725	L654-D721 HydrophobicContact CD1-CB 3.83Å; L654-D721 HydrophobicContact CD2-CB 4.04Å; L654-D721 HydrophobicContact CG-CB 4.47Å; H658-D721 IonicContact CD2-OD2 3.03Å; H658-D721 IonicContact NE2-OD2 3.78Å; H658-D721 PolarHBondContact NE2-OD2 3.05Å; F664-D721 WeakPolarHBondContact CA-OD2 3.4Å; F664-D721 WeakPolarHBondContact CB-OD2 3.49Å; H665-D721 PolarHBondContact N-OD2 2.91Å; G666-D721 WeakPolarHBondContact CA-OD1 3.38Å; G666-D721 PolarHBondContact N-OD1 2.78Å; S717-D721 PolarHBondContact O-N 2.95Å; K718-D721 WeakPolarHBondContact O-CB 3.31Å; K718-D721 PolarHBondContact O-N 3.15Å; K718-D721 VanDerWaalsContact O-N 3.17Å; D721-Y723 VanDerWaalsContact C-N 3.3Å; D721-Y723 PolarHBondContact O-N 3.2Å; D721-S724 PolarHBondContact O-N 3.35Å; D721-F725 WeakPolarHBondContact O-CB 3.48Å; D721-F725 PolarHBondContact O-N 3.12Å
722	I	97.1	Very high	90.6	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-38.9	175.7	-61.2	-57	0	0	0	111	L654 K718 E719 A720 F725 G726 C786 R794 I797	L654-I722 HydrophobicContact CD2-CD1 4.28Å; K718-I722 WeakPolarHBondContact O-CG1 3.21Å; K718-I722 PolarHBondContact O-N 2.89Å; K718-I722 VanDerWaalsContact O-N 3.14Å; E719-I722 PolarHBondContact O-N 3.31Å; A720-I722 VanDerWaalsContact C-N 3.32Å; A720-I722 PolarHBondContact O-N 2.83Å; I722-F725 WeakPolarHBondContact O-CB 3.44Å; I722-F725 PolarHBondContact O-N 3.04Å; I722-G726 PolarHBondContact O-N 3.21Å; I722-C786 HydrophobicContact CG2-CB 3.93Å; I722-R794 HydrophobicContact CG2-CB 4.05Å; I722-I797 HydrophobicContact CD1-CB 3.96Å; I722-I797 HydrophobicContact CD1-CD1 3.89Å; I722-I797 HydrophobicContact CD1-CG1 4.45Å
723	Y	96.3	Very high	91	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-49.5	172.4	179.2	-80.8	0	0	0	111.3	W705 A706 P707 E719 A720 D721 F725 G726 I727 L755 C786 W787	W705-Y723 VanDerWaalsContact O-CE1 3.23Å; W705-Y723 WeakPolarHBondContact O-CE1 3.47Å; A706-Y723 VanDerWaalsContact CA-CD1 3.48Å; A706-Y723 HydrophobicContact CB-CD1 3.98Å; A706-Y723 HydrophobicContact CB-CD2 4.42Å; A706-Y723 HydrophobicContact CB-CG 3.79Å; P707-Y723 VanDerWaalsContact CD-CE2 3.45Å; P707-Y723 HydrophobicContact CG-CE2 3.95Å; E719-Y723 PolarHBondContact O-N 2.75Å; A720-Y723 WeakPolarHBondContact O-CB 3.34Å; A720-Y723 PolarHBondContact O-N 3.1Å; D721-Y723 VanDerWaalsContact C-N 3.3Å; D721-Y723 PolarHBondContact O-N 3.2Å; Y723-F725 VanDerWaalsContact C-N 3.26Å; Y723-F725 PolarHBondContact O-N 3.21Å; Y723-G726 PolarHBondContact O-N 3.3Å; Y723-I727 HydrophobicContact CD1-CG1 4.13Å; Y723-I727 HydrophobicContact CE1-CD1 4.01Å; Y723-I727 HydrophobicContact CE1-CG1 3.7Å; Y723-I727 PolarHBondContact O-N 3.29Å; Y723-I727 VanDerWaalsContact O-N 3.14Å; Y723-L755 WeakPolarHBondContact OH-CD2 3.49Å; Y723-C786 WeakPolarHBondContact CA-O 3.47Å; Y723-C786 PolarHBondContact N-O 3.47Å; Y723-W787 HydrophobicContact CD2-CB 3.69Å; Y723-W787 HydrophobicContact CE2-CB 3.71Å; Y723-W787 HydrophobicContact CG-CB 4.44Å
724	S	96.2	Very high	92	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-58.2	-40.7	177.8	-58.3	0	0	0	0	111.9	L668 W704 A720 D721 G726 I727 I728	L668-S724 WeakPolarHBondContact O-CB 3.47Å; W704-S724 VanDerWaalsContact O-CA 3.31Å; W704-S724 WeakPolarHBondContact O-CA 3.49Å; W704-S724 WeakPolarHBondContact O-CB 3.27Å; W704-S724 PolarHBondContact O-OG 2.93Å; A720-S724 PolarHBondContact O-N 3Å; A720-S724 VanDerWaalsContact O-N 3.13Å; A720-S724 PolarHBondContact O-OG 3.09Å; D721-S724 PolarHBondContact O-N 3.35Å; S724-G726 PolarHBondContact O-N 3.06Å; S724-I727 PolarHBondContact O-N 3.22Å; S724-I728 WeakPolarHBondContact O-CG1 3.45Å; S724-I728 PolarHBondContact O-N 3.41Å
725	F	97	Very high	93.1	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-43	173.8	173.6	-99.3	0	0	0	112.2	I647 I650 A651 L654 L668 D721 I722 Y723 I727 I728 C729 V800 L804	I647-F725 HydrophobicContact CG2-CE2 4.27Å; I647-F725 HydrophobicContact CG2-CZ 3.74Å; I650-F725 HydrophobicContact CB-CD2 4.32Å; I650-F725 HydrophobicContact CB-CE2 4.05Å; I650-F725 HydrophobicContact CG2-CD2 3.66Å; I650-F725 HydrophobicContact CG2-CE2 3.9Å; A651-F725 HydrophobicContact CB-CE2 3.93Å; A651-F725 HydrophobicContact CB-CZ 3.9Å; L654-F725 HydrophobicContact CD2-CB 4.17Å; L668-F725 HydrophobicContact CD2-CB 4.24Å; D721-F725 WeakPolarHBondContact O-CB 3.48Å; D721-F725 PolarHBondContact O-N 3.12Å; I722-F725 WeakPolarHBondContact O-CB 3.44Å; I722-F725 PolarHBondContact O-N 3.04Å; Y723-F725 VanDerWaalsContact C-N 3.26Å; Y723-F725 PolarHBondContact O-N 3.21Å; F725-I727 VanDerWaalsContact C-N 3.35Å; F725-I727 PolarHBondContact O-N 3.38Å; F725-I728 PolarHBondContact O-N 2.84Å; F725-C729 WeakPolarHBondContact CE1-SG 3.32Å; F725-C729 WeakPolarHBondContact CZ-SG 3.45Å; F725-C729 PolarHBondContact O-N 2.98Å; F725-C729 PolarHBondContact O-SG 3.1Å; F725-V800 HydrophobicContact CD1-CG1 4.23Å; F725-V800 HydrophobicContact CE1-CG1 3.48Å; F725-V800 VanDerWaalsContact CE1-CG1 3.48Å; F725-V800 HydrophobicContact CZ-CG1 3.98Å; F725-L804 HydrophobicContact CZ-CD1 4.12Å
726	G	96.4	Very high	93.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-43	174.9	0	0	0	0	0	112.9	I722 Y723 S724 C729 S730 I783	I722-G726 PolarHBondContact O-N 3.21Å; Y723-G726 PolarHBondContact O-N 3.3Å; S724-G726 PolarHBondContact O-N 3.06Å; G726-C729 PolarHBondContact O-N 3.22Å; G726-S730 PolarHBondContact O-N 3Å; G726-S730 VanDerWaalsContact O-N 3.1Å; G726-I783 WeakPolarHBondContact O-CG2 3.45Å
727	I	96.3	Very high	93.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-45.6	175.2	-57.3	-62.9	0	0	0	110.9	W704 Y723 S724 F725 C729 S730 E731 A738 F739 P765 W787	W704-I727 HydrophobicContact CG-CG2 4.28Å; Y723-I727 HydrophobicContact CD1-CG1 4.13Å; Y723-I727 HydrophobicContact CE1-CD1 4.01Å; Y723-I727 HydrophobicContact CE1-CG1 3.7Å; Y723-I727 PolarHBondContact O-N 3.29Å; Y723-I727 VanDerWaalsContact O-N 3.14Å; S724-I727 PolarHBondContact O-N 3.22Å; F725-I727 VanDerWaalsContact C-N 3.35Å; F725-I727 PolarHBondContact O-N 3.38Å; I727-C729 VanDerWaalsContact C-N 3.32Å; I727-C729 PolarHBondContact O-N 2.99Å; I727-S730 WeakPolarHBondContact O-CB 3.1Å; I727-S730 PolarHBondContact O-N 2.83Å; I727-S730 VanDerWaalsContact O-N 3.13Å; I727-S730 PolarHBondContact O-OG 3.39Å; I727-E731 PolarHBondContact O-N 2.88Å; I727-A738 HydrophobicContact CG2-CB 4.03Å; I727-F739 HydrophobicContact CD1-CE2 3.94Å; I727-F739 HydrophobicContact CD1-CZ 4.04Å; I727-F739 HydrophobicContact CG2-CE2 4.48Å; I727-P765 HydrophobicContact CD1-CG 3.64Å; I727-W787 HydrophobicContact CD1-CE3 3.8Å; I727-W787 HydrophobicContact CD1-CZ3 4.21Å
728	I	96.1	Very high	93.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-41	178.6	-62.8	165.4	0	0	0	111.4	L627 I650 L668 S669 S724 F725 S730 E731 V732	L627-I728 HydrophobicContact CD2-CG2 3.59Å; I650-I728 HydrophobicContact CD1-CG2 3.8Å; L668-I728 HydrophobicContact CD1-CD1 4.43Å; L668-I728 HydrophobicContact CD2-CD1 4.13Å; L668-I728 HydrophobicContact CG-CD1 3.74Å; S669-I728 VanDerWaalsContact C-CD1 3.41Å; S724-I728 WeakPolarHBondContact O-CG1 3.45Å; S724-I728 PolarHBondContact O-N 3.41Å; F725-I728 PolarHBondContact O-N 2.84Å; I728-S730 VanDerWaalsContact C-N 3.27Å; I728-S730 PolarHBondContact O-N 2.74Å; I728-E731 WeakPolarHBondContact O-CB 3.36Å; I728-E731 PolarHBondContact O-N 3.03Å; I728-V732 WeakPolarHBondContact O-CG2 3.23Å; I728-V732 PolarHBondContact O-N 3.2Å; I728-V732 VanDerWaalsContact O-N 3.15Å
729	C	95.3	Very high	93.4	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	7%	0.072	C	C	.	.	H	α-helix	trans	-61.5	-38.1	176.8	-67.6	0	0	0	0	111.8	I647 F725 G726 I727 V732 I733 I783	I647-C729 HydrophobicContact CD1-CB 4.39Å; F725-C729 WeakPolarHBondContact CE1-SG 3.32Å; F725-C729 WeakPolarHBondContact CZ-SG 3.45Å; F725-C729 PolarHBondContact O-N 2.98Å; F725-C729 PolarHBondContact O-SG 3.1Å; G726-C729 PolarHBondContact O-N 3.22Å; I727-C729 VanDerWaalsContact C-N 3.32Å; I727-C729 PolarHBondContact O-N 2.99Å; C729-V732 PolarHBondContact O-N 3.1Å; C729-I733 WeakPolarHBondContact O-CG1 3.34Å; C729-I733 PolarHBondContact O-N 3.04Å; C729-I733 VanDerWaalsContact O-N 3.14Å; C729-I783 HydrophobicContact CB-CD1 3.73Å; C729-I783 HydrophobicContact CB-CG1 3.56Å
730	S	94.4	Very high	93.1	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-44.8	174.7	71.4	0	0	0	0	112	G726 I727 I728 V732 I733 T734 L767	G726-S730 PolarHBondContact O-N 3Å; G726-S730 VanDerWaalsContact O-N 3.1Å; I727-S730 WeakPolarHBondContact O-CB 3.1Å; I727-S730 PolarHBondContact O-N 2.83Å; I727-S730 VanDerWaalsContact O-N 3.13Å; I727-S730 PolarHBondContact O-OG 3.39Å; I728-S730 VanDerWaalsContact C-N 3.27Å; I728-S730 PolarHBondContact O-N 2.74Å; S730-V732 VanDerWaalsContact C-N 3.3Å; S730-V732 PolarHBondContact O-N 2.83Å; S730-I733 WeakPolarHBondContact O-CG1 3.41Å; S730-I733 PolarHBondContact O-N 2.75Å; S730-T734 WeakPolarHBondContact O-CG2 3.41Å; S730-T734 PolarHBondContact O-N 2.94Å; S730-T734 PolarHBondContact O-OG1 3.35Å; S730-L767 VanDerWaalsContact CB-CD2 3.49Å
731	E	93.7	Very high	92.7	Very high	5 Å²	5	14.5 Å²	14.5	2%	0.023	8%	0.075	C	C	.	.	H	α-helix	trans	-58	-41.1	176.9	-65.2	174.9	86.6	0	0	112.1	I631 S670 W704 I727 I728 R735 S736 A738	I631-E731 HydrophobicContact CD1-CB 3.88Å; S670-E731 WeakPolarHBondContact CB-OE1 3.22Å; S670-E731 WeakPolarHBondContact CB-OE2 3.5Å; S670-E731 PolarHBondContact OG-OE1 2.81Å; S670-E731 PolarHBondContact OG-OE2 2.91Å; W704-E731 PolarHBondContact NE1-OE2 3.35Å; I727-E731 PolarHBondContact O-N 2.88Å; I728-E731 WeakPolarHBondContact O-CB 3.36Å; I728-E731 PolarHBondContact O-N 3.03Å; E731-R735 VanDerWaalsContact O-CA 3.29Å; E731-R735 WeakPolarHBondContact O-CA 3.32Å; E731-R735 PolarHBondContact O-N 3.17Å; E731-S736 WeakPolarHBondContact CA-O 3.41Å; E731-S736 WeakPolarHBondContact CB-O 3.47Å; E731-S736 PolarHBondContact O-N 2.77Å; E731-A738 HydrophobicContact CG-CB 4.13Å; E731-A738 PolarHBondContact OE1-N 3.19Å
732	V	92.2	Very high	92.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.8	-46.7	-179.9	176.5	0	0	0	0	111.6	L627 I631 M638 M643 I647 I728 C729 S730	L627-V732 HydrophobicContact CD1-CG2 4.19Å; L627-V732 HydrophobicContact CD2-CG2 3.71Å; L627-V732 HydrophobicContact CG-CG2 4.32Å; I631-V732 HydrophobicContact CD1-CG2 4.44Å; M638-V732 HydrophobicContact CE-CG1 4.34Å; M643-V732 HydrophobicContact CB-CG1 3.84Å; M643-V732 HydrophobicContact CG-CG1 4.01Å; I647-V732 HydrophobicContact CD1-CB 4.27Å; I647-V732 HydrophobicContact CD1-CG1 4.08Å; I647-V732 HydrophobicContact CG1-CB 4.26Å; I647-V732 HydrophobicContact CG1-CG1 4.1Å; I647-V732 HydrophobicContact CG1-CG2 4.39Å; I728-V732 WeakPolarHBondContact O-CG2 3.23Å; I728-V732 PolarHBondContact O-N 3.2Å; I728-V732 VanDerWaalsContact O-N 3.15Å; C729-V732 PolarHBondContact O-N 3.1Å; S730-V732 VanDerWaalsContact C-N 3.3Å; S730-V732 PolarHBondContact O-N 2.83Å
733	I	91.2	Very high	91.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-76.9	-33.7	-174.3	64.9	162.1	0	0	0	112.7	I647 C729 S730 L767 T769 I775 L779 I783	I647-I733 HydrophobicContact CD1-CG2 4.08Å; C729-I733 WeakPolarHBondContact O-CG1 3.34Å; C729-I733 PolarHBondContact O-N 3.04Å; C729-I733 VanDerWaalsContact O-N 3.14Å; S730-I733 WeakPolarHBondContact O-CG1 3.41Å; S730-I733 PolarHBondContact O-N 2.75Å; I733-L767 HydrophobicContact CD1-CB 4.46Å; I733-L767 HydrophobicContact CD1-CD2 4.06Å; I733-T769 HydrophobicContact CB-CG2 4.41Å; I733-T769 HydrophobicContact CD1-CG2 4.43Å; I733-T769 HydrophobicContact CG1-CG2 4.48Å; I733-T769 WeakPolarHBondContact O-CG2 3.25Å; I733-I775 HydrophobicContact CB-CD1 3.94Å; I733-I775 HydrophobicContact CG2-CD1 4.47Å; I733-L779 HydrophobicContact CG2-CD2 3.85Å; I733-I783 HydrophobicContact CD1-CD1 3.48Å; I733-I783 VanDerWaalsContact CD1-CD1 3.48Å; I733-I783 HydrophobicContact CG1-CD1 4.05Å; I733-I783 HydrophobicContact CG2-CD1 4.38Å
734	T	89.1	Confident	90.9	Very high	28 Å²	28	30.8 Å²	30.8	17%	0.172	15%	0.152	C	C	.	.	H	α-helix	trans	-84.8	-16	176.9	60.9	0	0	0	0	112.8	S730 S736 S766	S730-T734 WeakPolarHBondContact O-CG2 3.41Å; S730-T734 PolarHBondContact O-N 2.94Å; S730-T734 PolarHBondContact O-OG1 3.35Å; T734-S736 PolarHBondContact O-N 2.81Å; T734-S736 PolarHBondContact OG1-N 2.98Å; T734-S736 PolarHBondContact OG1-OG 2.85Å; T734-S766 WeakPolarHBondContact CG2-O 2.98Å
735	R	87.8	Confident	90.5	Very high	105 Å²	105	40.4 Å²	40.4	40%	0.396	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	36.2	-171.4	-56.5	177	-73.2	177.1	-2.2	112.2	I631 M643 E731 D770	I631-R735 WeakPolarHBondContact CG2-O 3.38Å; M643-R735 HydrophobicContact CE-CG 3.83Å; E731-R735 VanDerWaalsContact O-CA 3.29Å; E731-R735 WeakPolarHBondContact O-CA 3.32Å; E731-R735 PolarHBondContact O-N 3.17Å; R735-D770 IonicContact NH2-OD2 3.77Å; R735-D770 PolarHBondContact NH2-OD2 2.89Å
736	S	88.2	Confident	90.1	Very high	25 Å²	25	42.9 Å²	42.9	18%	0.175	21%	0.205	C	C	.	.	S	Bend	trans	-124.3	165.8	179.2	70.2	0	0	0	0	111.6	E731 T734	E731-S736 WeakPolarHBondContact CA-O 3.41Å; E731-S736 WeakPolarHBondContact CB-O 3.47Å; E731-S736 PolarHBondContact O-N 2.77Å; T734-S736 PolarHBondContact O-N 2.81Å; T734-S736 PolarHBondContact OG1-N 2.98Å; T734-S736 PolarHBondContact OG1-OG 2.85Å
737	S	89.3	Confident	89.7	Confident	29 Å²	29	49.3 Å²	49.3	20%	0.203	23%	0.233	C	C	.	.			trans	-66.1	165.7	172.7	75.2	0	0	0	0	111.9	F739 D740 L741 E742	S737-F739 PolarHBondContact O-N 3.26Å; S737-D740 WeakPolarHBondContact O-CA 3.42Å; S737-D740 PolarHBondContact O-N 3.44Å; S737-L741 PolarHBondContact OG-N 3.1Å; S737-E742 WeakPolarHBondContact CB-OE1 3.32Å; S737-E742 VanDerWaalsContact CB-OE2 3.29Å; S737-E742 WeakPolarHBondContact CB-OE2 3.3Å; S737-E742 VanDerWaalsContact OG-CD 3.28Å; S737-E742 PolarHBondContact OG-OE1 3.45Å; S737-E742 PolarHBondContact OG-OE2 3.07Å
738	A	89.1	Confident	89.4	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.017	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-56.1	123.5	176.8	0	0	0	0	0	111.4	W704 I727 E731 D740 L741	W704-A738 HydrophobicContact CH2-CB 4.18Å; W704-A738 HydrophobicContact CZ2-CB 3.51Å; I727-A738 HydrophobicContact CG2-CB 4.03Å; E731-A738 HydrophobicContact CG-CB 4.13Å; E731-A738 PolarHBondContact OE1-N 3.19Å; A738-D740 PolarHBondContact O-N 3.23Å; A738-L741 WeakPolarHBondContact O-CG 3.48Å
739	F	90.9	Very high	89.1	Confident	4 Å²	4	55 Å²	55	2%	0.018	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	63.3	10.1	-171.3	-66.7	-99.3	0	0	0	115.5	L703 I727 S737 L741 R744 I751 L755 I763 P765	L703-F739 HydrophobicContact CB-CD2 4.35Å; L703-F739 HydrophobicContact CB-CE2 4.46Å; L703-F739 HydrophobicContact CD2-CD2 4.3Å; L703-F739 WeakPolarHBondContact O-CE2 3.45Å; I727-F739 HydrophobicContact CD1-CE2 3.94Å; I727-F739 HydrophobicContact CD1-CZ 4.04Å; I727-F739 HydrophobicContact CG2-CE2 4.48Å; S737-F739 PolarHBondContact O-N 3.26Å; F739-L741 VanDerWaalsContact C-N 3.34Å; F739-L741 PolarHBondContact O-N 2.96Å; F739-R744 WeakPolarHBondContact O-CD 3.44Å; F739-R744 WeakPolarHBondContact O-CG 3.47Å; F739-I751 HydrophobicContact CB-CD1 4.19Å; F739-I751 HydrophobicContact CD1-CG2 3.9Å; F739-I751 HydrophobicContact CE1-CG2 3.93Å; F739-I751 HydrophobicContact CG-CG2 4.21Å; F739-I751 HydrophobicContact CZ-CG2 4.28Å; F739-L755 HydrophobicContact CE2-CD1 4.49Å; F739-L755 HydrophobicContact CZ-CD1 3.95Å; F739-L755 HydrophobicContact CZ-CD2 4.34Å; F739-I763 HydrophobicContact CE1-CG1 4.35Å; F739-P765 HydrophobicContact CD1-CG 4.06Å; F739-P765 HydrophobicContact CD2-CG 4.2Å; F739-P765 HydrophobicContact CE1-CG 3.98Å; F739-P765 HydrophobicContact CE2-CG 4.11Å; F739-P765 HydrophobicContact CG-CG 4.16Å; F739-P765 HydrophobicContact CZ-CG 4Å
740	D	88.6	Confident	88.9	Confident	45 Å²	45	59.4 Å²	59.4	24%	0.241	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	54.2	49.9	179.4	-168.8	23.8	0	0	0	111.8	S737 A738 E742 N743 R744	S737-D740 WeakPolarHBondContact O-CA 3.42Å; S737-D740 PolarHBondContact O-N 3.44Å; A738-D740 PolarHBondContact O-N 3.23Å; D740-E742 PolarHBondContact O-N 2.78Å; D740-E742 VanDerWaalsContact O-N 3.1Å; D740-N743 PolarHBondContact O-N 3.03Å; D740-N743 PolarHBondContact OD1-ND2 2.9Å; D740-N743 WeakPolarHBondContact OD2-CB 3.39Å; D740-N743 PolarHBondContact OD2-ND2 3.4Å; D740-R744 WeakPolarHBondContact O-CG 3.44Å; D740-R744 PolarHBondContact O-N 3.02Å
741	L	85.2	Confident	88.7	Confident	47 Å²	47	59.2 Å²	59.2	25%	0.246	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.4	-172.5	-70.2	173.7	0	0	0	112.6	L703 S737 A738 F739 N743 P748 I751	L703-L741 HydrophobicContact CD1-CD1 3.67Å; L703-L741 HydrophobicContact CD1-CD2 4.22Å; L703-L741 HydrophobicContact CD1-CG 4.29Å; S737-L741 PolarHBondContact OG-N 3.1Å; A738-L741 WeakPolarHBondContact O-CG 3.48Å; F739-L741 VanDerWaalsContact C-N 3.34Å; F739-L741 PolarHBondContact O-N 2.96Å; L741-N743 PolarHBondContact O-N 3.41Å; L741-P748 HydrophobicContact CD1-CG 4.38Å; L741-P748 HydrophobicContact CD2-CG 4.28Å; L741-I751 HydrophobicContact CD2-CD1 3.64Å
742	E	83.5	Confident	88.5	Confident	137 Å²	137	59.5 Å²	59.5	64%	0.64	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.4	179.3	-61.1	86.8	175.8	0	0	112.6	S737 D740	S737-E742 WeakPolarHBondContact CB-OE1 3.32Å; S737-E742 VanDerWaalsContact CB-OE2 3.29Å; S737-E742 WeakPolarHBondContact CB-OE2 3.3Å; S737-E742 VanDerWaalsContact OG-CD 3.28Å; S737-E742 PolarHBondContact OG-OE1 3.45Å; S737-E742 PolarHBondContact OG-OE2 3.07Å; D740-E742 PolarHBondContact O-N 2.78Å; D740-E742 VanDerWaalsContact O-N 3.1Å
743	N	84.4	Confident	88.4	Confident	128 Å²	128	66.9 Å²	66.9	68%	0.684	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	2.2	-176.5	-61.4	-53.4	0	0	0	113.5	D740 L741	D740-N743 PolarHBondContact O-N 3.03Å; D740-N743 PolarHBondContact OD1-ND2 2.9Å; D740-N743 WeakPolarHBondContact OD2-CB 3.39Å; D740-N743 PolarHBondContact OD2-ND2 3.4Å; L741-N743 PolarHBondContact O-N 3.41Å
744	R	84.8	Confident	88.4	Confident	81 Å²	81	70.3 Å²	70.3	31%	0.306	33%	0.327	S	S	.	.			trans	-99.9	158.4	178.2	-72.1	-164.5	77.3	116	1.7	113.4	F739 D740 E746	F739-R744 WeakPolarHBondContact O-CD 3.44Å; F739-R744 WeakPolarHBondContact O-CG 3.47Å; D740-R744 WeakPolarHBondContact O-CG 3.44Å; D740-R744 PolarHBondContact O-N 3.02Å; R744-E746 IonicContact CZ-OE1 2.69Å; R744-E746 IonicContact CZ-OE2 3.83Å; R744-E746 IonicContact NE-OE1 3.27Å; R744-E746 IonicContact NE-OE2 2.69Å; R744-E746 PolarHBondContact NE-OE2 3.35Å; R744-E746 IonicContact NH2-OE1 2.73Å; R744-E746 PolarHBondContact NH2-OE1 3.06Å; R744-E746 IonicContact NH2-OE2 3.06Å; R744-E746 PolarHBondContact NH2-OE2 2.9Å
745	K	86.9	Confident	88.5	Confident	206 Å²	206	69 Å²	69	90%	0.896	32%	0.319	S	S	*	.	S	Bend	trans	-90	-31	176.9	-68.5	-176.5	-179.5	178.2	0	112.5
746	E	88	Confident	88.5	Confident	52 Å²	52	68.5 Å²	68.5	24%	0.243	32%	0.32	C	S	.	.	S	Bend	trans	-74.6	138.5	-175.9	-54.3	95.3	141.8	0	0	111.5	R744 E750 I751	R744-E746 IonicContact CZ-OE1 2.69Å; R744-E746 IonicContact CZ-OE2 3.83Å; R744-E746 IonicContact NE-OE1 3.27Å; R744-E746 IonicContact NE-OE2 2.69Å; R744-E746 PolarHBondContact NE-OE2 3.35Å; R744-E746 IonicContact NH2-OE1 2.73Å; R744-E746 PolarHBondContact NH2-OE1 3.06Å; R744-E746 IonicContact NH2-OE2 3.06Å; R744-E746 PolarHBondContact NH2-OE2 2.9Å; E746-E750 VanDerWaalsContact CA-OE2 3.27Å; E746-E750 WeakPolarHBondContact CA-OE2 3.42Å; E746-E750 HydrophobicContact CB-CB 4.24Å; E746-I751 HydrophobicContact CB-CG1 3.96Å
747	K	89.2	Confident	88.6	Confident	135 Å²	135	75 Å²	75	59%	0.587	34%	0.344	S	S	*	.			trans	-76.5	158.1	174.2	-66.6	-177.6	-179.7	178.7	0	111.2	E749 E750 I751	K747-E749 PolarHBondContact O-N 3.13Å; K747-E749 VanDerWaalsContact O-N 3.13Å; K747-E750 HydrophobicContact CB-CG 4.43Å; K747-E750 PolarHBondContact N-OE2 3.2Å; K747-E750 WeakPolarHBondContact O-CB 3.44Å; K747-E750 PolarHBondContact O-N 2.94Å; K747-I751 PolarHBondContact O-N 3.42Å; K747-I751 VanDerWaalsContact O-N 3.09Å
748	P	88.8	Confident	88.2	Confident	22 Å²	22	74.3 Å²	74.3	14%	0.143	34%	0.343	C	S	.	.	H	α-helix	trans	-50.5	-39.6	176.1	-28.4	35.7	0	0	0	113.4	T699 E700 L703 L741 E750 I751 I752	T699-P748 HydrophobicContact CG2-CB 4.24Å; E700-P748 HydrophobicContact CG-CB 4.32Å; E700-P748 HydrophobicContact CG-CG 3.98Å; L703-P748 HydrophobicContact CD1-CB 4.48Å; L741-P748 HydrophobicContact CD1-CG 4.38Å; L741-P748 HydrophobicContact CD2-CG 4.28Å; P748-E750 VanDerWaalsContact C-N 3.32Å; P748-E750 PolarHBondContact O-N 3.12Å; P748-I751 PolarHBondContact O-N 3.12Å; P748-I752 WeakPolarHBondContact O-CB 3.34Å; P748-I752 VanDerWaalsContact O-CG1 3.23Å; P748-I752 WeakPolarHBondContact O-CG1 3.26Å; P748-I752 PolarHBondContact O-N 3.14Å
749	E	90.2	Very high	87.7	Confident	98 Å²	98	76.8 Å²	76.8	46%	0.458	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-39.5	176.7	-65.9	67.5	-148.4	0	0	112.8	T699 K747 Y753	T699-E749 VanDerWaalsContact CB-OE1 3.25Å; T699-E749 WeakPolarHBondContact CB-OE1 3.4Å; T699-E749 HydrophobicContact CG2-CB 4.39Å; T699-E749 HydrophobicContact CG2-CG 3.89Å; T699-E749 PolarHBondContact OG1-OE1 3.42Å; K747-E749 PolarHBondContact O-N 3.13Å; K747-E749 VanDerWaalsContact O-N 3.13Å; E749-Y753 WeakPolarHBondContact O-CB 3.37Å; E749-Y753 PolarHBondContact O-N 2.84Å
750	E	90.9	Very high	86.9	Confident	93 Å²	93	86.8 Å²	86.8	44%	0.435	41%	0.412	S	S	.	.	H	α-helix	trans	-71.8	-40.8	-179.5	-65	173.1	-179.3	0	0	110.8	E746 K747 P748 Y753 Q754	E746-E750 VanDerWaalsContact CA-OE2 3.27Å; E746-E750 WeakPolarHBondContact CA-OE2 3.42Å; E746-E750 HydrophobicContact CB-CB 4.24Å; K747-E750 HydrophobicContact CB-CG 4.43Å; K747-E750 PolarHBondContact N-OE2 3.2Å; K747-E750 WeakPolarHBondContact O-CB 3.44Å; K747-E750 PolarHBondContact O-N 2.94Å; P748-E750 VanDerWaalsContact C-N 3.32Å; P748-E750 PolarHBondContact O-N 3.12Å; E750-Y753 PolarHBondContact O-N 2.84Å; E750-Q754 VanDerWaalsContact O-CG 3.31Å; E750-Q754 WeakPolarHBondContact O-CG 3.46Å; E750-Q754 PolarHBondContact O-N 3.04Å
751	I	91.1	Very high	86.3	Confident	0 Å²	0	91.6 Å²	91.6	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-61.8	-47.6	174.6	-61.9	172.3	0	0	0	109.8	L703 F739 L741 E746 K747 P748 Y753 Q754 L755 I763	L703-I751 HydrophobicContact CD2-CB 4.17Å; L703-I751 HydrophobicContact CD2-CG2 3.9Å; F739-I751 HydrophobicContact CB-CD1 4.19Å; F739-I751 HydrophobicContact CD1-CG2 3.9Å; F739-I751 HydrophobicContact CE1-CG2 3.93Å; F739-I751 HydrophobicContact CG-CG2 4.21Å; F739-I751 HydrophobicContact CZ-CG2 4.28Å; L741-I751 HydrophobicContact CD2-CD1 3.64Å; E746-I751 HydrophobicContact CB-CG1 3.96Å; K747-I751 PolarHBondContact O-N 3.42Å; K747-I751 VanDerWaalsContact O-N 3.09Å; P748-I751 PolarHBondContact O-N 3.12Å; I751-Y753 VanDerWaalsContact C-N 3.33Å; I751-Y753 PolarHBondContact O-N 2.83Å; I751-Q754 PolarHBondContact O-N 2.85Å; I751-L755 HydrophobicContact CG2-CD1 4.07Å; I751-L755 HydrophobicContact CG2-CG 4.42Å; I751-L755 WeakPolarHBondContact O-CG 3.33Å; I751-L755 PolarHBondContact O-N 3.49Å; I751-I763 HydrophobicContact CG2-CD1 4.46Å
752	I	90.1	Very high	86.2	Confident	10 Å²	10	90.5 Å²	90.5	5%	0.051	44%	0.435	C	S	.	.	H	α-helix	trans	-60.8	-41.9	176.9	-67.3	-65.3	0	0	0	111.3	T699 M702 L703 L710 P748 Q754 L755 K756	T699-I752 HydrophobicContact CG2-CG1 4.04Å; M702-I752 HydrophobicContact CB-CD1 3.72Å; M702-I752 HydrophobicContact CB-CG1 4.36Å; M702-I752 WeakPolarHBondContact O-CD1 3.5Å; L703-I752 HydrophobicContact CD2-CD1 4.11Å; L703-I752 HydrophobicContact CD2-CG1 4.25Å; L710-I752 HydrophobicContact CD1-CD1 3.97Å; L710-I752 HydrophobicContact CD2-CD1 4.16Å; L710-I752 HydrophobicContact CD2-CG2 4.2Å; P748-I752 WeakPolarHBondContact O-CB 3.34Å; P748-I752 VanDerWaalsContact O-CG1 3.23Å; P748-I752 WeakPolarHBondContact O-CG1 3.26Å; P748-I752 PolarHBondContact O-N 3.14Å; I752-Q754 PolarHBondContact O-N 3.26Å; I752-L755 HydrophobicContact CD1-CD1 4.36Å; I752-L755 PolarHBondContact O-N 2.89Å; I752-K756 HydrophobicContact CG2-CD 4.41Å; I752-K756 WeakPolarHBondContact O-CG 3.37Å; I752-K756 PolarHBondContact O-N 3.27Å
753	Y	90.2	Very high	86.4	Confident	155 Å²	155	85 Å²	85	61%	0.608	41%	0.41	S	S	*	.	H	α-helix	trans	-60.5	-43.8	175.4	177.1	-96.6	0	0	0	112	E749 E750 I751 K756 K757	E749-Y753 WeakPolarHBondContact O-CB 3.37Å; E749-Y753 PolarHBondContact O-N 2.84Å; E750-Y753 PolarHBondContact O-N 2.84Å; I751-Y753 VanDerWaalsContact C-N 3.33Å; I751-Y753 PolarHBondContact O-N 2.83Å; Y753-K756 PolarHBondContact O-N 2.84Å; Y753-K757 PolarHBondContact O-N 2.89Å
754	Q	90.3	Very high	86.7	Confident	74 Å²	74	81.1 Å²	81.1	35%	0.346	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-41	177.1	-70	177.6	19.5	0	0	112.3	E750 I751 I752 K756 K757 G758 I763	E750-Q754 VanDerWaalsContact O-CG 3.31Å; E750-Q754 WeakPolarHBondContact O-CG 3.46Å; E750-Q754 PolarHBondContact O-N 3.04Å; I751-Q754 PolarHBondContact O-N 2.85Å; I752-Q754 PolarHBondContact O-N 3.26Å; Q754-K756 VanDerWaalsContact C-N 3.34Å; Q754-K756 PolarHBondContact O-N 2.9Å; Q754-K757 PolarHBondContact O-N 3.23Å; Q754-G758 PolarHBondContact O-N 2.81Å; Q754-G758 VanDerWaalsContact O-N 3.09Å; Q754-I763 HydrophobicContact CB-CG2 3.84Å; Q754-I763 VanDerWaalsContact OE1-CD1 3.27Å
755	L	90.8	Very high	87	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60.5	-43.2	173.2	-72.7	171.5	0	0	0	111.3	L710 R711 Y723 F739 I751 I752 K757 G758 I763	L710-L755 HydrophobicContact CD1-CB 4.06Å; L710-L755 HydrophobicContact CD1-CD1 4.26Å; R711-L755 PolarHBondContact NH2-O 3.24Å; Y723-L755 WeakPolarHBondContact OH-CD2 3.49Å; F739-L755 HydrophobicContact CE2-CD1 4.49Å; F739-L755 HydrophobicContact CZ-CD1 3.95Å; F739-L755 HydrophobicContact CZ-CD2 4.34Å; I751-L755 HydrophobicContact CG2-CD1 4.07Å; I751-L755 HydrophobicContact CG2-CG 4.42Å; I751-L755 WeakPolarHBondContact O-CG 3.33Å; I751-L755 PolarHBondContact O-N 3.49Å; I752-L755 HydrophobicContact CD1-CD1 4.36Å; I752-L755 PolarHBondContact O-N 2.89Å; L755-K757 VanDerWaalsContact C-N 3.35Å; L755-K757 PolarHBondContact O-N 3.02Å; L755-G758 PolarHBondContact O-N 2.88Å; L755-I763 HydrophobicContact CD2-CG2 3.65Å; L755-I763 WeakPolarHBondContact CD2-O 3.14Å; L755-I763 HydrophobicContact CG-CG2 3.78Å
756	K	89.1	Confident	87.1	Confident	96 Å²	96	71 Å²	71	42%	0.417	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-39.7	174.7	-74.2	-175.9	-171.3	-146.9	0	112.4	L710 R711 I752 Y753 Q754 G758	L710-K756 HydrophobicContact CB-CG 3.78Å; L710-K756 WeakPolarHBondContact O-CE 3.27Å; L710-K756 PolarHBondContact O-NZ 3.11Å; R711-K756 PolarHBondContact NE-O 2.89Å; R711-K756 PolarHBondContact NH2-O 3.39Å; I752-K756 HydrophobicContact CG2-CD 4.41Å; I752-K756 WeakPolarHBondContact O-CG 3.37Å; I752-K756 PolarHBondContact O-N 3.27Å; Y753-K756 PolarHBondContact O-N 2.84Å; Q754-K756 VanDerWaalsContact C-N 3.34Å; Q754-K756 PolarHBondContact O-N 2.9Å; K756-G758 VanDerWaalsContact C-N 3.34Å; K756-G758 PolarHBondContact O-N 2.85Å
757	K	88.5	Confident	87.2	Confident	160 Å²	160	69.6 Å²	69.6	70%	0.696	35%	0.347	S	S	*	.	H	α-helix	trans	-65.5	-35.9	179.2	-172.3	178.5	177.5	-177.8	0	112.6	Y753 Q754 L755	Y753-K757 PolarHBondContact O-N 2.89Å; Q754-K757 PolarHBondContact O-N 3.23Å; L755-K757 VanDerWaalsContact C-N 3.35Å; L755-K757 PolarHBondContact O-N 3.02Å
758	G	82.4	Confident	87	Confident	16 Å²	16	70.2 Å²	70.2	17%	0.165	36%	0.356	C	S	.	.			trans	61.7	-156.3	-177.6	0	0	0	0	0	113	R711 Q754 L755 K756	R711-G758 VanDerWaalsContact NH2-CA 3.29Å; Q754-G758 PolarHBondContact O-N 2.81Å; Q754-G758 VanDerWaalsContact O-N 3.09Å; L755-G758 PolarHBondContact O-N 2.88Å; K756-G758 VanDerWaalsContact C-N 3.34Å; K756-G758 PolarHBondContact O-N 2.85Å
759	G	78.2	Confident	86.7	Confident	54 Å²	54	71.9 Å²	71.9	56%	0.557	37%	0.366	S	S	*	.			trans	119.2	178.2	178.7	0	0	0	0	0	113.3	N761 A762	G759-N761 PolarHBondContact O-N 2.94Å; G759-A762 PolarHBondContact O-N 2.76Å
760	F	74.4	Confident	86.1	Confident	213 Å²	213	71.7 Å²	71.7	93%	0.934	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.6	-176.5	-167.6	-96.4	0	0	0	113.1
761	N	76.4	Confident	85.2	Confident	147 Å²	147	76.7 Å²	76.7	79%	0.786	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	53.2	176.7	-66.3	-18.7	0	0	0	110.7	G759 I763	G759-N761 PolarHBondContact O-N 2.94Å; N761-I763 PolarHBondContact O-N 2.98Å
762	A	81.7	Confident	84.4	Confident	23 Å²	23	81.1 Å²	81.1	19%	0.19	43%	0.428	C	S	.	.			trans	-59.7	135.5	177.4	0	0	0	0	0	110.6	G759 R764	G759-A762 PolarHBondContact O-N 2.76Å; A762-R764 VanDerWaalsContact CB-NH1 3.31Å; A762-R764 PolarHBondContact O-N 2.78Å
763	I	89.1	Confident	83.8	Confident	23 Å²	23	82 Å²	82	12%	0.118	43%	0.432	C	S	.	.			trans	-61.1	135.9	-179.5	-172.2	167.3	0	0	0	110.7	F739 I751 Q754 L755 N761	F739-I763 HydrophobicContact CE1-CG1 4.35Å; I751-I763 HydrophobicContact CG2-CD1 4.46Å; Q754-I763 HydrophobicContact CB-CG2 3.84Å; Q754-I763 VanDerWaalsContact OE1-CD1 3.27Å; L755-I763 HydrophobicContact CD2-CG2 3.65Å; L755-I763 WeakPolarHBondContact CD2-O 3.14Å; L755-I763 HydrophobicContact CG-CG2 3.78Å; N761-I763 PolarHBondContact O-N 2.98Å
764	R	90.2	Very high	83.3	Confident	46 Å²	46	82.9 Å²	82.9	17%	0.174	44%	0.442	C	S	.	.			trans	-140.9	156.9	175.3	-66.2	-63.1	-176.7	-85	0.4	110.1	A762 W787 E789	A762-R764 VanDerWaalsContact CB-NH1 3.31Å; A762-R764 PolarHBondContact O-N 2.78Å; R764-W787 HydrophobicContact CB-CZ2 4.2Å; R764-W787 VanDerWaalsContact CZ-O 3.31Å; R764-W787 PolarHBondContact NE-O 2.83Å; R764-W787 PolarHBondContact NH2-O 3.15Å; R764-E789 IonicContact CZ-OE2 3.26Å; R764-E789 IonicContact NH1-OE2 3.63Å; R764-E789 IonicContact NH2-OE2 2.87Å; R764-E789 PolarHBondContact NH2-OE2 2.91Å
765	P	91.1	Very high	83	Confident	11 Å²	11	80.6 Å²	80.6	7%	0.071	43%	0.432	C	S	.	.			trans	-58.8	148.2	173.8	-23.8	34.2	0	0	0	112.9	I727 F739 W787	I727-P765 HydrophobicContact CD1-CG 3.64Å; F739-P765 HydrophobicContact CD1-CG 4.06Å; F739-P765 HydrophobicContact CD2-CG 4.2Å; F739-P765 HydrophobicContact CE1-CG 3.98Å; F739-P765 HydrophobicContact CE2-CG 4.11Å; F739-P765 HydrophobicContact CG-CG 4.16Å; F739-P765 HydrophobicContact CZ-CG 4Å; P765-W787 HydrophobicContact CB-CH2 3.98Å; P765-W787 HydrophobicContact CB-CZ3 4.01Å; P765-W787 HydrophobicContact CG-CE3 4.41Å; P765-W787 HydrophobicContact CG-CH2 4.1Å; P765-W787 HydrophobicContact CG-CZ3 3.69Å
766	S	88.4	Confident	82.7	Confident	62 Å²	62	83.5 Å²	83.5	43%	0.434	45%	0.448	S	S	.	.			trans	-69.7	142.1	170.3	-176	0	0	0	0	109.8	T734 L768	T734-S766 WeakPolarHBondContact CG2-O 2.98Å; S766-L768 WeakPolarHBondContact OG-CG 3.46Å; S766-L768 PolarHBondContact OG-N 2.97Å
767	L	89.7	Confident	82.6	Confident	24 Å²	24	83.2 Å²	83.2	13%	0.126	46%	0.456	C	S	.	.			trans	-112.3	25.7	175.9	-59.2	-174.7	0	0	0	111.8	S730 I733 V780 I783 R784 W787	S730-L767 VanDerWaalsContact CB-CD2 3.49Å; I733-L767 HydrophobicContact CD1-CB 4.46Å; I733-L767 HydrophobicContact CD1-CD2 4.06Å; L767-V780 HydrophobicContact CB-CG1 4.27Å; L767-V780 HydrophobicContact CD1-CG1 3.71Å; L767-I783 HydrophobicContact CD1-CB 4.25Å; L767-I783 HydrophobicContact CD1-CG2 3.99Å; L767-I783 HydrophobicContact CD2-CG2 4.03Å; L767-R784 HydrophobicContact CD1-CG 4.02Å; L767-W787 HydrophobicContact CD1-CH2 3.98Å; L767-W787 HydrophobicContact CD1-CZ2 3.85Å; L767-W787 HydrophobicContact CD2-CH2 3.45Å; L767-W787 VanDerWaalsContact CD2-CH2 3.45Å; L767-W787 HydrophobicContact CD2-CZ2 4.18Å; L767-W787 HydrophobicContact CD2-CZ3 4.31Å; L767-W787 HydrophobicContact CG-CH2 3.83Å; L767-W787 HydrophobicContact CG-CZ2 4.06Å
768	L	84.7	Confident	82.7	Confident	147 Å²	147	77.6 Å²	77.6	77%	0.77	44%	0.439	S	S	*	.			trans	-76.3	124.6	176.7	-68.1	169.4	0	0	0	109.7	S766	S766-L768 WeakPolarHBondContact OG-CG 3.46Å; S766-L768 PolarHBondContact OG-N 2.97Å
769	T	82.6	Confident	83.1	Confident	57 Å²	57	77.3 Å²	77.3	35%	0.35	43%	0.434	S	S	.	.			trans	-117.4	163.8	-178.5	62.1	0	0	0	0	111.2	I733 I775	I733-T769 HydrophobicContact CB-CG2 4.41Å; I733-T769 HydrophobicContact CD1-CG2 4.43Å; I733-T769 HydrophobicContact CG1-CG2 4.48Å; I733-T769 WeakPolarHBondContact O-CG2 3.25Å; T769-I775 HydrophobicContact CG2-CD1 3.34Å
770	D	77.4	Confident	83.8	Confident	94 Å²	94	76 Å²	76	50%	0.503	42%	0.415	S	S	.	.			trans	-64.1	138.8	178	-166.5	-8.8	0	0	0	111.2	R735 A772 L773	R735-D770 IonicContact NH2-OD2 3.77Å; R735-D770 PolarHBondContact NH2-OD2 2.89Å; D770-A772 PolarHBondContact O-N 3.27Å; D770-L773 PolarHBondContact O-N 2.85Å
771	E	73.7	Confident	84.7	Confident	199 Å²	199	71 Å²	71	93%	0.93	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.8	-174.1	-69.6	-174.8	172.9	0	0	112.8	L773	E771-L773 VanDerWaalsContact C-N 3.26Å; E771-L773 PolarHBondContact O-N 3.04Å
772	A	73.8	Confident	85.6	Confident	92 Å²	92	64.1 Å²	64.1	76%	0.76	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.8	177.3	0	0	0	0	0	113.9	D770	D770-A772 PolarHBondContact O-N 3.27Å
773	L	77.4	Confident	86.2	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.147	35%	0.349	C	S	.	.			trans	-104.1	106.8	-173.8	-171.5	75.5	0	0	0	111.3	M643 D770 E771 I775	M643-L773 HydrophobicContact CE-CD1 4.14Å; M643-L773 HydrophobicContact CE-CD2 3.39Å; M643-L773 HydrophobicContact CE-CG 4.41Å; M643-L773 HydrophobicContact SD-CD2 3.78Å; D770-L773 PolarHBondContact O-N 2.85Å; E771-L773 VanDerWaalsContact C-N 3.26Å; E771-L773 PolarHBondContact O-N 3.04Å; L773-I775 HydrophobicContact CD2-CD1 3.56Å; L773-I775 HydrophobicContact CD2-CG1 3.92Å; L773-I775 HydrophobicContact CG-CD1 4.2Å; L773-I775 HydrophobicContact CG-CG1 4.08Å; L773-I775 PolarHBondContact O-N 2.98Å; L773-I775 VanDerWaalsContact O-N 3.08Å
774	E	79.5	Confident	86.5	Confident	174 Å²	174	68 Å²	68	81%	0.813	37%	0.366	S	S	*	.			trans	-75.1	96.1	177.2	-64.6	-175.6	173	0	0	111.7	S640	S640-E774 VanDerWaalsContact CB-O 3.23Å; S640-E774 WeakPolarHBondContact CB-O 3.14Å; S640-E774 PolarHBondContact OG-O 2.94Å
775	I	83	Confident	86.7	Confident	26 Å²	26	69.5 Å²	69.5	13%	0.133	38%	0.378	C	S	.	.			trans	-98.1	133	174.2	-68.4	162.1	0	0	0	110.1	I733 T769 L773 P777 L779 V780	I733-I775 HydrophobicContact CB-CD1 3.94Å; I733-I775 HydrophobicContact CG2-CD1 4.47Å; T769-I775 HydrophobicContact CG2-CD1 3.34Å; L773-I775 HydrophobicContact CD2-CD1 3.56Å; L773-I775 HydrophobicContact CD2-CG1 3.92Å; L773-I775 HydrophobicContact CG-CD1 4.2Å; L773-I775 HydrophobicContact CG-CG1 4.08Å; L773-I775 PolarHBondContact O-N 2.98Å; L773-I775 VanDerWaalsContact O-N 3.08Å; I775-P777 WeakPolarHBondContact O-CD 3.38Å; I775-L779 HydrophobicContact CG2-CB 4.45Å; I775-L779 HydrophobicContact CG2-CD2 4.22Å; I775-V780 HydrophobicContact CG2-CG2 4.17Å
776	N	84.9	Confident	86.9	Confident	61 Å²	61	69 Å²	69	33%	0.326	37%	0.374	S	S	.	.			trans	-59.4	121.3	176.3	-171.3	-35.8	0	0	0	110.6	A778 L779	N776-A778 PolarHBondContact O-N 3.13Å; N776-A778 VanDerWaalsContact O-N 3.09Å; N776-A778 VanDerWaalsContact OD1-CB 3.24Å; N776-A778 WeakPolarHBondContact OD1-CB 3.42Å; N776-A778 PolarHBondContact OD1-N 3.44Å; N776-L779 VanDerWaalsContact O-CB 3.3Å; N776-L779 WeakPolarHBondContact O-CB 3.27Å; N776-L779 PolarHBondContact O-N 2.95Å
777	P	88.2	Confident	87.2	Confident	90 Å²	90	66.8 Å²	66.8	58%	0.584	36%	0.356	S	S	*	.	H	α-helix	trans	-55.5	-30.5	179.5	-27.2	35.1	0	0	0	113.6	I775 L779 V780 H781	I775-P777 WeakPolarHBondContact O-CD 3.38Å; P777-L779 VanDerWaalsContact C-N 3.26Å; P777-L779 PolarHBondContact O-N 3.38Å; P777-V780 WeakPolarHBondContact O-CB 3.44Å; P777-V780 PolarHBondContact O-N 2.95Å; P777-V780 VanDerWaalsContact O-N 3.17Å; P777-H781 PolarHBondContact O-CD2 3.25Å; P777-H781 PolarHBondContact O-N 3.39Å; P777-H781 VanDerWaalsContact O-N 3.11Å
778	A	90.3	Very high	87.3	Confident	43 Å²	43	67.3 Å²	67.3	36%	0.355	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-30.8	176.9	0	0	0	0	0	112.6	N776 H781 L782 M807	N776-A778 PolarHBondContact O-N 3.13Å; N776-A778 VanDerWaalsContact O-N 3.09Å; N776-A778 VanDerWaalsContact OD1-CB 3.24Å; N776-A778 WeakPolarHBondContact OD1-CB 3.42Å; N776-A778 PolarHBondContact OD1-N 3.44Å; A778-H781 PolarHBondContact O-N 3.47Å; A778-L782 WeakPolarHBondContact O-CB 3.44Å; A778-L782 PolarHBondContact O-N 2.87Å; A778-M807 VanDerWaalsContact C-CE 3.45Å; A778-M807 HydrophobicContact CB-CE 3.81Å; A778-M807 HydrophobicContact CB-CG 4.26Å; A778-M807 HydrophobicContact CB-SD 4.33Å; A778-M807 WeakPolarHBondContact O-CE 3.42Å
779	L	91.6	Very high	87.5	Confident	9 Å²	9	62.7 Å²	62.7	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-41.7	174.6	-177.2	59.4	0	0	0	110.8	L644 I647 I733 I775 N776 P777 H781 L782 I783 L804 M807	L644-L779 HydrophobicContact CD1-CD2 4.44Å; I647-L779 HydrophobicContact CD1-CD1 4.26Å; I647-L779 HydrophobicContact CD1-CD2 3.93Å; I647-L779 HydrophobicContact CG2-CD1 4.49Å; I733-L779 HydrophobicContact CG2-CD2 3.85Å; I775-L779 HydrophobicContact CG2-CB 4.45Å; I775-L779 HydrophobicContact CG2-CD2 4.22Å; N776-L779 VanDerWaalsContact O-CB 3.3Å; N776-L779 WeakPolarHBondContact O-CB 3.27Å; N776-L779 PolarHBondContact O-N 2.95Å; P777-L779 VanDerWaalsContact C-N 3.26Å; P777-L779 PolarHBondContact O-N 3.38Å; L779-H781 VanDerWaalsContact C-N 3.32Å; L779-H781 PolarHBondContact O-N 3.07Å; L779-L782 PolarHBondContact O-N 3.1Å; L779-I783 HydrophobicContact CG-CD1 4.24Å; L779-I783 VanDerWaalsContact O-CG1 3.25Å; L779-I783 WeakPolarHBondContact O-CG1 3.48Å; L779-I783 PolarHBondContact O-N 2.87Å; L779-L804 HydrophobicContact CD1-CD2 3.75Å; L779-M807 HydrophobicContact CB-SD 3.75Å; L779-M807 HydrophobicContact CD1-SD 4.16Å
780	V	92.2	Very high	87.9	Confident	28 Å²	28	65.4 Å²	65.4	17%	0.17	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-40.6	176.9	-178.3	0	0	0	0	111	L767 I775 P777 R784	L767-V780 HydrophobicContact CB-CG1 4.27Å; L767-V780 HydrophobicContact CD1-CG1 3.71Å; I775-V780 HydrophobicContact CG2-CG2 4.17Å; P777-V780 WeakPolarHBondContact O-CB 3.44Å; P777-V780 PolarHBondContact O-N 2.95Å; P777-V780 VanDerWaalsContact O-N 3.17Å; V780-R784 WeakPolarHBondContact O-CG 3.35Å; V780-R784 PolarHBondContact O-N 2.79Å
781	H	93.4	Very high	88.6	Confident	106 Å²	106	62 Å²	62	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-45	173.9	-75.7	-71.8	0	0	0	112.3	P777 A778 L779 I783 R784 D785	P777-H781 PolarHBondContact O-CD2 3.25Å; P777-H781 PolarHBondContact O-N 3.39Å; P777-H781 VanDerWaalsContact O-N 3.11Å; A778-H781 PolarHBondContact O-N 3.47Å; L779-H781 VanDerWaalsContact C-N 3.32Å; L779-H781 PolarHBondContact O-N 3.07Å; H781-I783 VanDerWaalsContact C-N 3.33Å; H781-I783 PolarHBondContact O-N 3.42Å; H781-R784 WeakPolarHBondContact O-CA 3.44Å; H781-R784 WeakPolarHBondContact O-CB 3.33Å; H781-R784 PolarHBondContact O-N 2.88Å; H781-D785 PolarHBondContact O-N 3.49Å
782	L	94.4	Very high	89.5	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-43.1	176.8	176.2	60.3	0	0	0	112.3	A778 L779 R784 D785 C786 P795 V800 L803 L804 M807	A778-L782 WeakPolarHBondContact O-CB 3.44Å; A778-L782 PolarHBondContact O-N 2.87Å; L779-L782 PolarHBondContact O-N 3.1Å; L782-R784 PolarHBondContact O-N 3.19Å; L782-D785 PolarHBondContact O-N 3.05Å; L782-C786 PolarHBondContact O-N 3.03Å; L782-C786 PolarHBondContact O-SG 2.87Å; L782-P795 HydrophobicContact CD1-CG 4.37Å; L782-V800 HydrophobicContact CD1-CG1 4.39Å; L782-V800 HydrophobicContact CD1-CG2 4.22Å; L782-V800 HydrophobicContact CD2-CG1 4.24Å; L782-L803 HydrophobicContact CD1-CD1 3.79Å; L782-L803 HydrophobicContact CD2-CB 4.29Å; L782-L804 HydrophobicContact CD2-CD2 3.72Å; L782-L804 HydrophobicContact CD2-CG 3.79Å; L782-M807 HydrophobicContact CB-CE 4.1Å; L782-M807 HydrophobicContact CD2-CE 3.86Å
783	I	95.2	Very high	90.4	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-40.5	176	-66.6	168.1	0	0	0	110.5	G726 C729 I733 L767 L779 H781 C786 W787	G726-I783 WeakPolarHBondContact O-CG2 3.45Å; C729-I783 HydrophobicContact CB-CD1 3.73Å; C729-I783 HydrophobicContact CB-CG1 3.56Å; I733-I783 HydrophobicContact CD1-CD1 3.48Å; I733-I783 VanDerWaalsContact CD1-CD1 3.48Å; I733-I783 HydrophobicContact CG1-CD1 4.05Å; I733-I783 HydrophobicContact CG2-CD1 4.38Å; L767-I783 HydrophobicContact CD1-CB 4.25Å; L767-I783 HydrophobicContact CD1-CG2 3.99Å; L767-I783 HydrophobicContact CD2-CG2 4.03Å; L779-I783 HydrophobicContact CG-CD1 4.24Å; L779-I783 VanDerWaalsContact O-CG1 3.25Å; L779-I783 WeakPolarHBondContact O-CG1 3.48Å; L779-I783 PolarHBondContact O-N 2.87Å; H781-I783 VanDerWaalsContact C-N 3.33Å; H781-I783 PolarHBondContact O-N 3.42Å; I783-C786 PolarHBondContact O-N 3.49Å; I783-W787 HydrophobicContact CG2-CD2 4.25Å; I783-W787 HydrophobicContact CG2-CE3 3.85Å; I783-W787 HydrophobicContact CG2-CH2 3.58Å; I783-W787 HydrophobicContact CG2-CZ2 3.94Å; I783-W787 HydrophobicContact CG2-CZ3 3.51Å; I783-W787 PolarHBondContact O-N 2.98Å
784	R	94.7	Very high	91.3	Very high	125 Å²	125	57.1 Å²	57.1	47%	0.472	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-40.2	177.5	-71	173.1	176.6	159.2	0.5	112.9	L767 V780 H781 L782 W787	L767-R784 HydrophobicContact CD1-CG 4.02Å; V780-R784 WeakPolarHBondContact O-CG 3.35Å; V780-R784 PolarHBondContact O-N 2.79Å; H781-R784 WeakPolarHBondContact O-CA 3.44Å; H781-R784 WeakPolarHBondContact O-CB 3.33Å; H781-R784 PolarHBondContact O-N 2.88Å; L782-R784 PolarHBondContact O-N 3.19Å; R784-W787 HydrophobicContact CG-CZ2 4.37Å; R784-W787 PolarHBondContact O-NE1 2.88Å
785	D	95.1	Very high	92.1	Very high	78 Å²	78	49.3 Å²	49.3	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-67.6	-39.8	178.4	-62.6	-19.1	0	0	0	111.3	H781 L782 W787 T788 P795	H781-D785 PolarHBondContact O-N 3.49Å; L782-D785 PolarHBondContact O-N 3.05Å; D785-W787 VanDerWaalsContact C-N 3.29Å; D785-W787 PolarHBondContact O-N 3.43Å; D785-T788 WeakPolarHBondContact O-CB 3.38Å; D785-T788 PolarHBondContact O-N 3.44Å; D785-T788 PolarHBondContact O-OG1 3.13Å; D785-P795 HydrophobicContact CB-CG 4.3Å
786	C	95.8	Very high	92.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-32.7	179.8	-74.7	0	0	0	0	113.7	I722 Y723 L782 I783 R794	I722-C786 HydrophobicContact CG2-CB 3.93Å; Y723-C786 WeakPolarHBondContact CA-O 3.47Å; Y723-C786 PolarHBondContact N-O 3.47Å; L782-C786 PolarHBondContact O-N 3.03Å; L782-C786 PolarHBondContact O-SG 2.87Å; I783-C786 PolarHBondContact O-N 3.49Å; C786-R794 VanDerWaalsContact O-CD 3.27Å; C786-R794 WeakPolarHBondContact O-CD 3.4Å; C786-R794 WeakPolarHBondContact O-CG 3.42Å
787	W	93.4	Very high	93.2	Very high	15 Å²	15	49.3 Å²	49.3	6%	0.057	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	23.6	-178.8	64.2	32.2	0	0	0	114.3	Y723 I727 R764 P765 L767 I783 R784 D785	Y723-W787 HydrophobicContact CD2-CB 3.69Å; Y723-W787 HydrophobicContact CE2-CB 3.71Å; Y723-W787 HydrophobicContact CG-CB 4.44Å; I727-W787 HydrophobicContact CD1-CE3 3.8Å; I727-W787 HydrophobicContact CD1-CZ3 4.21Å; R764-W787 HydrophobicContact CB-CZ2 4.2Å; R764-W787 VanDerWaalsContact CZ-O 3.31Å; R764-W787 PolarHBondContact NE-O 2.83Å; R764-W787 PolarHBondContact NH2-O 3.15Å; P765-W787 HydrophobicContact CB-CH2 3.98Å; P765-W787 HydrophobicContact CB-CZ3 4.01Å; P765-W787 HydrophobicContact CG-CE3 4.41Å; P765-W787 HydrophobicContact CG-CH2 4.1Å; P765-W787 HydrophobicContact CG-CZ3 3.69Å; L767-W787 HydrophobicContact CD1-CH2 3.98Å; L767-W787 HydrophobicContact CD1-CZ2 3.85Å; L767-W787 HydrophobicContact CD2-CH2 3.45Å; L767-W787 VanDerWaalsContact CD2-CH2 3.45Å; L767-W787 HydrophobicContact CD2-CZ2 4.18Å; L767-W787 HydrophobicContact CD2-CZ3 4.31Å; L767-W787 HydrophobicContact CG-CH2 3.83Å; L767-W787 HydrophobicContact CG-CZ2 4.06Å; I783-W787 HydrophobicContact CG2-CD2 4.25Å; I783-W787 HydrophobicContact CG2-CE3 3.85Å; I783-W787 HydrophobicContact CG2-CH2 3.58Å; I783-W787 HydrophobicContact CG2-CZ2 3.94Å; I783-W787 HydrophobicContact CG2-CZ3 3.51Å; I783-W787 PolarHBondContact O-N 2.98Å; R784-W787 HydrophobicContact CG-CZ2 4.37Å; R784-W787 PolarHBondContact O-NE1 2.88Å; D785-W787 VanDerWaalsContact C-N 3.29Å; D785-W787 PolarHBondContact O-N 3.43Å
788	T	92.1	Very high	93.5	Very high	35 Å²	35	49.4 Å²	49.4	22%	0.215	26%	0.26	C	S	.	.			trans	-55.4	143.6	174.7	-57.9	0	0	0	0	110.9	D785 K790 E793 R794	D785-T788 WeakPolarHBondContact O-CB 3.38Å; D785-T788 PolarHBondContact O-N 3.44Å; D785-T788 PolarHBondContact O-OG1 3.13Å; T788-K790 VanDerWaalsContact C-N 3.34Å; T788-K790 PolarHBondContact O-N 3.16Å; T788-E793 HydrophobicContact CG2-CB 3.81Å; T788-E793 WeakPolarHBondContact CG2-OE2 3.12Å; T788-R794 PolarHBondContact O-NE 2.81Å; T788-R794 PolarHBondContact O-NH2 3.02Å
789	E	89.9	Confident	93.7	Very high	51 Å²	51	52.3 Å²	52.3	24%	0.238	27%	0.266	C	S	.	.	S	Bend	trans	-61	-40.5	-174	-173.4	60.7	-157.9	0	0	112.9	R711 R764	R711-E789 IonicContact CZ-OE1 3.52Å; R711-E789 IonicContact NH1-OE1 2.72Å; R711-E789 PolarHBondContact NH1-OE1 3.29Å; R711-E789 IonicContact NH2-OE1 3.78Å; R711-E789 PolarHBondContact NH2-OE1 3.14Å; R764-E789 IonicContact CZ-OE2 3.26Å; R764-E789 IonicContact NH1-OE2 3.63Å; R764-E789 IonicContact NH2-OE2 2.87Å; R764-E789 PolarHBondContact NH2-OE2 2.91Å
790	K	90.3	Very high	93.9	Very high	113 Å²	113	51.9 Å²	51.9	49%	0.491	26%	0.264	S	S	.	.	S	Bend	trans	-87.8	125.4	178.4	-165.5	-176.6	-178	-174.8	0	110.4	T788 S792 E793	T788-K790 VanDerWaalsContact C-N 3.34Å; T788-K790 PolarHBondContact O-N 3.16Å; K790-S792 VanDerWaalsContact C-N 3.31Å; K790-S792 WeakPolarHBondContact CD-OG 3.16Å; K790-S792 VanDerWaalsContact CE-OG 3.24Å; K790-S792 WeakPolarHBondContact CE-OG 3.42Å; K790-S792 PolarHBondContact O-N 3.4Å; K790-E793 HydrophobicContact CB-CB 4.41Å; K790-E793 HydrophobicContact CB-CG 4.25Å; K790-E793 HydrophobicContact CD-CG 4.06Å; K790-E793 WeakPolarHBondContact CD-OE1 3.38Å; K790-E793 IonicContact NZ-OE1 3.03Å; K790-E793 PolarHBondContact O-N 2.8Å; K790-E793 VanDerWaalsContact O-N 3.16Å
791	P	92.3	Very high	94	Very high	24 Å²	24	54.4 Å²	54.4	16%	0.156	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-57.9	-39.9	-177	-26.4	34.7	0	0	0	113.7	E708 E719 E793 R794	E708-P791 HydrophobicContact CB-CG 4.18Å; E708-P791 HydrophobicContact CG-CG 3.75Å; E719-P791 HydrophobicContact CB-CB 3.96Å; E719-P791 HydrophobicContact CG-CB 4.38Å; P791-E793 PolarHBondContact O-N 2.92Å; P791-R794 WeakPolarHBondContact O-CB 3.34Å; P791-R794 PolarHBondContact O-N 2.96Å
792	S	92.1	Very high	93.9	Very high	89 Å²	89	53.2 Å²	53.2	62%	0.622	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-67.9	-14.1	-178.1	67.1	0	0	0	0	114.9	K790	K790-S792 VanDerWaalsContact C-N 3.31Å; K790-S792 WeakPolarHBondContact CD-OG 3.16Å; K790-S792 VanDerWaalsContact CE-OG 3.24Å; K790-S792 WeakPolarHBondContact CE-OG 3.42Å; K790-S792 PolarHBondContact O-N 3.4Å
793	E	93.4	Very high	93.8	Very high	115 Å²	115	56.3 Å²	56.3	54%	0.537	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-94.6	-9.2	179.5	-72.7	169.7	-166.5	0	0	112.2	T788 K790 P791	T788-E793 HydrophobicContact CG2-CB 3.81Å; T788-E793 WeakPolarHBondContact CG2-OE2 3.12Å; K790-E793 HydrophobicContact CB-CB 4.41Å; K790-E793 HydrophobicContact CB-CG 4.25Å; K790-E793 HydrophobicContact CD-CG 4.06Å; K790-E793 WeakPolarHBondContact CD-OE1 3.38Å; K790-E793 IonicContact NZ-OE1 3.03Å; K790-E793 PolarHBondContact O-N 2.8Å; K790-E793 VanDerWaalsContact O-N 3.16Å; P791-E793 PolarHBondContact O-N 2.92Å
794	R	95.1	Very high	93.6	Very high	12 Å²	12	56.3 Å²	56.3	5%	0.045	29%	0.29	C	S	.	.	S	Bend	trans	-73.5	140.3	176.2	-60.5	175.4	-168.5	151.5	10.8	109.5	E708 E719 I722 C786 T788 P791	E708-R794 IonicContact OE1-CZ 3.63Å; E708-R794 IonicContact OE1-NH1 3.86Å; E708-R794 PolarHBondContact OE1-NH1 3.43Å; E708-R794 IonicContact OE1-NH2 2.78Å; E708-R794 PolarHBondContact OE1-NH2 2.79Å; E708-R794 IonicContact OE2-CZ 3.4Å; E708-R794 IonicContact OE2-NH1 3.74Å; E708-R794 IonicContact OE2-NH2 3.01Å; E708-R794 PolarHBondContact OE2-NH2 3.27Å; E719-R794 WeakPolarHBondContact O-CD 3.19Å; E719-R794 PolarHBondContact O-NH1 2.92Å; I722-R794 HydrophobicContact CG2-CB 4.05Å; C786-R794 VanDerWaalsContact O-CD 3.27Å; C786-R794 WeakPolarHBondContact O-CD 3.4Å; C786-R794 WeakPolarHBondContact O-CG 3.42Å; T788-R794 PolarHBondContact O-NE 2.81Å; T788-R794 PolarHBondContact O-NH2 3.02Å; P791-R794 WeakPolarHBondContact O-CB 3.34Å; P791-R794 PolarHBondContact O-N 2.96Å
795	P	95.9	Very high	93.2	Very high	10 Å²	10	59.8 Å²	59.8	7%	0.065	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-65.7	138	179.5	26.5	-34.1	0	0	0	110.7	L782 D785 Q799 V800	L782-P795 HydrophobicContact CD1-CG 4.37Å; D785-P795 HydrophobicContact CB-CG 4.3Å; P795-Q799 HydrophobicContact CB-CB 4.25Å; P795-Q799 HydrophobicContact CB-CG 4.28Å; P795-V800 HydrophobicContact CB-CG2 3.99Å; P795-V800 HydrophobicContact CG-CG2 3.71Å
796	P	95.8	Very high	92.6	Very high	79 Å²	79	59.3 Å²	59.3	51%	0.513	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-62.7	153.7	170.4	27.6	-34.6	0	0	0	110.5	D798 Q799 V800	P796-D798 PolarHBondContact O-N 2.52Å; P796-D798 VanDerWaalsContact O-N 3.07Å; P796-Q799 HydrophobicContact CG-CB 3.94Å; P796-Q799 WeakPolarHBondContact O-CA 3.34Å; P796-Q799 WeakPolarHBondContact O-CB 3.15Å; P796-Q799 PolarHBondContact O-N 2.87Å; P796-V800 PolarHBondContact O-N 3.16Å; P796-V800 VanDerWaalsContact O-N 3.09Å
797	I	96	Very high	92.1	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-56	-32.6	-175	-166.8	53.1	0	0	0	113.4	A651 L654 H658 I722 V800 R801	A651-I797 HydrophobicContact CB-CD1 4.43Å; L654-I797 HydrophobicContact CB-CD1 4.18Å; L654-I797 HydrophobicContact CB-CG1 4.47Å; L654-I797 HydrophobicContact CD2-CD1 3.96Å; L654-I797 HydrophobicContact CG-CD1 4.17Å; L654-I797 HydrophobicContact CG-CG1 4.41Å; H658-I797 HydrophobicContact CB-CG2 4.03Å; H658-I797 WeakPolarHBondContact ND1-CG2 3.32Å; I722-I797 HydrophobicContact CD1-CB 3.96Å; I722-I797 HydrophobicContact CD1-CD1 3.89Å; I722-I797 HydrophobicContact CD1-CG1 4.45Å; I797-V800 HydrophobicContact CD1-CB 4.3Å; I797-V800 HydrophobicContact CD1-CG1 4.46Å; I797-V800 WeakPolarHBondContact O-CB 3.5Å; I797-V800 PolarHBondContact O-N 3.11Å; I797-R801 HydrophobicContact CG1-CG 4.48Å; I797-R801 WeakPolarHBondContact O-CB 3.27Å; I797-R801 VanDerWaalsContact O-CG 3.28Å; I797-R801 WeakPolarHBondContact O-CG 3.45Å; I797-R801 PolarHBondContact O-N 3.33Å
798	D	94.6	Very high	91	Very high	92 Å²	92	61.1 Å²	61.1	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-67.7	-35.5	177.1	-66.7	-40	0	0	0	112.3	P796 R801 S802	P796-D798 PolarHBondContact O-N 2.52Å; P796-D798 VanDerWaalsContact O-N 3.07Å; D798-R801 IonicContact OD1-NH1 3.69Å; D798-S802 VanDerWaalsContact O-CB 3.32Å; D798-S802 WeakPolarHBondContact O-CB 3.38Å; D798-S802 PolarHBondContact O-N 3.01Å
799	Q	95.1	Very high	89.5	Confident	103 Å²	103	66.7 Å²	66.7	48%	0.481	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-42.6	172.8	-173.8	176	7.3	0	0	110.8	P795 P796 R801 S802 L803	P795-Q799 HydrophobicContact CB-CB 4.25Å; P795-Q799 HydrophobicContact CB-CG 4.28Å; P796-Q799 HydrophobicContact CG-CB 3.94Å; P796-Q799 WeakPolarHBondContact O-CA 3.34Å; P796-Q799 WeakPolarHBondContact O-CB 3.15Å; P796-Q799 PolarHBondContact O-N 2.87Å; Q799-R801 PolarHBondContact O-N 3.44Å; Q799-S802 WeakPolarHBondContact O-CB 3.49Å; Q799-S802 PolarHBondContact O-N 3.47Å; Q799-L803 HydrophobicContact CG-CD1 4.17Å; Q799-L803 WeakPolarHBondContact O-CG 3.28Å; Q799-L803 PolarHBondContact O-N 2.86Å
800	V	95.4	Very high	88	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-57.4	-49.4	174.8	176.6	0	0	0	0	110.7	A651 F725 L782 P795 P796 I797 S802 L803 L804	A651-V800 HydrophobicContact CB-CG1 4.47Å; F725-V800 HydrophobicContact CD1-CG1 4.23Å; F725-V800 HydrophobicContact CE1-CG1 3.48Å; F725-V800 VanDerWaalsContact CE1-CG1 3.48Å; F725-V800 HydrophobicContact CZ-CG1 3.98Å; L782-V800 HydrophobicContact CD1-CG1 4.39Å; L782-V800 HydrophobicContact CD1-CG2 4.22Å; L782-V800 HydrophobicContact CD2-CG1 4.24Å; P795-V800 HydrophobicContact CB-CG2 3.99Å; P795-V800 HydrophobicContact CG-CG2 3.71Å; P796-V800 PolarHBondContact O-N 3.16Å; P796-V800 VanDerWaalsContact O-N 3.09Å; I797-V800 HydrophobicContact CD1-CB 4.3Å; I797-V800 HydrophobicContact CD1-CG1 4.46Å; I797-V800 WeakPolarHBondContact O-CB 3.5Å; I797-V800 PolarHBondContact O-N 3.11Å; V800-S802 VanDerWaalsContact C-N 3.31Å; V800-S802 PolarHBondContact O-N 3.11Å; V800-L803 PolarHBondContact O-N 2.81Å; V800-L804 HydrophobicContact CG1-CD1 4Å; V800-L804 WeakPolarHBondContact O-CG 3.5Å; V800-L804 PolarHBondContact O-N 2.93Å
801	R	93.8	Very high	86.4	Confident	81 Å²	81	69.4 Å²	69.4	31%	0.306	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-38.2	177.4	-71.3	173.1	72.3	-159.4	7.1	112.3	A651 N652 I797 D798 Q799 R805	A651-R801 HydrophobicContact CB-CG 4.03Å; N652-R801 PolarHBondContact OD1-NE 3.14Å; N652-R801 PolarHBondContact OD1-NH2 3Å; N652-R801 VanDerWaalsContact OD1-NH2 3.16Å; I797-R801 HydrophobicContact CG1-CG 4.48Å; I797-R801 WeakPolarHBondContact O-CB 3.27Å; I797-R801 VanDerWaalsContact O-CG 3.28Å; I797-R801 WeakPolarHBondContact O-CG 3.45Å; I797-R801 PolarHBondContact O-N 3.33Å; D798-R801 IonicContact OD1-NH1 3.69Å; Q799-R801 PolarHBondContact O-N 3.44Å; R801-R805 WeakPolarHBondContact O-CB 3.34Å; R801-R805 PolarHBondContact O-N 3.04Å
802	S	92.3	Very high	84.6	Confident	81 Å²	81	78.1 Å²	78.1	57%	0.566	42%	0.421	S	S	*	.	H	α-helix	trans	-64.1	-46.9	176.3	-172	0	0	0	0	111.7	D798 Q799 V800 R805 G806	D798-S802 VanDerWaalsContact O-CB 3.32Å; D798-S802 WeakPolarHBondContact O-CB 3.38Å; D798-S802 PolarHBondContact O-N 3.01Å; Q799-S802 WeakPolarHBondContact O-CB 3.49Å; Q799-S802 PolarHBondContact O-N 3.47Å; V800-S802 VanDerWaalsContact C-N 3.31Å; V800-S802 PolarHBondContact O-N 3.11Å; S802-R805 WeakPolarHBondContact O-CB 3.2Å; S802-R805 PolarHBondContact O-N 3.24Å; S802-G806 PolarHBondContact O-N 3.33Å; S802-G806 VanDerWaalsContact O-N 3.11Å
803	L	92	Very high	83.1	Confident	70 Å²	70	75.4 Å²	75.4	37%	0.366	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-45.4	177.9	-70.8	170.8	0	0	0	111.6	L782 Q799 V800 R805 G806 M807	L782-L803 HydrophobicContact CD1-CD1 3.79Å; L782-L803 HydrophobicContact CD2-CB 4.29Å; Q799-L803 HydrophobicContact CG-CD1 4.17Å; Q799-L803 WeakPolarHBondContact O-CG 3.28Å; Q799-L803 PolarHBondContact O-N 2.86Å; V800-L803 PolarHBondContact O-N 2.81Å; L803-R805 VanDerWaalsContact C-N 3.29Å; L803-R805 PolarHBondContact O-N 2.65Å; L803-G806 PolarHBondContact O-N 3.07Å; L803-M807 HydrophobicContact CB-CE 4.18Å; L803-M807 WeakPolarHBondContact O-CG 3.29Å; L803-M807 PolarHBondContact O-N 3.24Å
804	L	91.3	Very high	81.9	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.01	40%	0.4	C	S	.	.	H	α-helix	trans	-62.3	-36	176	-69.9	171.6	0	0	0	112.5	L644 I647 A651 F725 L779 L782 V800 G806 M807	L644-L804 HydrophobicContact CD1-CD2 3.9Å; I647-L804 HydrophobicContact CG2-CD1 3.91Å; I647-L804 HydrophobicContact CG2-CD2 3.8Å; A651-L804 HydrophobicContact CB-CD1 3.59Å; F725-L804 HydrophobicContact CZ-CD1 4.12Å; L779-L804 HydrophobicContact CD1-CD2 3.75Å; L782-L804 HydrophobicContact CD2-CD2 3.72Å; L782-L804 HydrophobicContact CD2-CG 3.79Å; V800-L804 HydrophobicContact CG1-CD1 4Å; V800-L804 WeakPolarHBondContact O-CG 3.5Å; V800-L804 PolarHBondContact O-N 2.93Å; L804-G806 VanDerWaalsContact C-N 3.28Å; L804-G806 PolarHBondContact O-N 2.82Å; L804-M807 HydrophobicContact CD2-SD 4.23Å; L804-M807 PolarHBondContact O-N 2.94Å
805	R	86.6	Confident	80.9	Confident	198 Å²	198	73.1 Å²	73.1	75%	0.747	40%	0.4	S	S	*	.	H	α-helix	trans	-64.2	-34.7	174.4	-176.2	-178.9	-79	-168.9	-3.5	111.6	R801 S802 L803	R801-R805 WeakPolarHBondContact O-CB 3.34Å; R801-R805 PolarHBondContact O-N 3.04Å; S802-R805 WeakPolarHBondContact O-CB 3.2Å; S802-R805 PolarHBondContact O-N 3.24Å; L803-R805 VanDerWaalsContact C-N 3.29Å; L803-R805 PolarHBondContact O-N 2.65Å
806	G	82.5	Confident	79.9	Confident	68 Å²	68	75 Å²	75	70%	0.701	41%	0.408	S	S	*	.	H	α-helix	trans	-75.3	-19.2	177.4	0	0	0	0	0	115.1	S802 L803 L804 N808	S802-G806 PolarHBondContact O-N 3.33Å; S802-G806 VanDerWaalsContact O-N 3.11Å; L803-G806 PolarHBondContact O-N 3.07Å; L804-G806 VanDerWaalsContact C-N 3.28Å; L804-G806 PolarHBondContact O-N 2.82Å; G806-N808 VanDerWaalsContact C-N 3.35Å
807	M	84.3	Confident	78.9	Confident	19 Å²	19	75 Å²	75	9%	0.094	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.4	179.7	-66.7	174.1	-158.4	0	0	114	L644 A778 L779 L782 L803 L804	L644-M807 HydrophobicContact CD1-CB 4.48Å; L644-M807 HydrophobicContact CD2-CB 4.3Å; A778-M807 VanDerWaalsContact C-CE 3.45Å; A778-M807 HydrophobicContact CB-CE 3.81Å; A778-M807 HydrophobicContact CB-CG 4.26Å; A778-M807 HydrophobicContact CB-SD 4.33Å; A778-M807 WeakPolarHBondContact O-CE 3.42Å; L779-M807 HydrophobicContact CB-SD 3.75Å; L779-M807 HydrophobicContact CD1-SD 4.16Å; L782-M807 HydrophobicContact CB-CE 4.1Å; L782-M807 HydrophobicContact CD2-CE 3.86Å; L803-M807 HydrophobicContact CB-CE 4.18Å; L803-M807 WeakPolarHBondContact O-CG 3.29Å; L803-M807 PolarHBondContact O-N 3.24Å; L804-M807 HydrophobicContact CD2-SD 4.23Å; L804-M807 PolarHBondContact O-N 2.94Å
808	N	69.2	Low	77.9	Confident	34 Å²	34	77.2 Å²	77.2	18%	0.182	41%	0.414	C	S	.	.	S	Bend	trans	-95.1	121.6	-175.6	-157.2	36	0	0	0	109.5	L644 G806 G810 K811	L644-N808 HydrophobicContact CD2-CB 4.12Å; G806-N808 VanDerWaalsContact C-N 3.35Å; N808-G810 PolarHBondContact O-N 2.99Å; N808-K811 PolarHBondContact ND2-O 2.92Å
809	D	62.5	Low	76.9	Confident	151 Å²	151	73.9 Å²	73.9	81%	0.807	40%	0.397	S	S	*	.			trans	-70.5	50.1	-173.9	-70.9	-28.9	0	0	0	114.4	K811	D809-K811 PolarHBondContact O-N 3.44Å
810	G	57	Low	76	Confident	68 Å²	68	74.1 Å²	74.1	70%	0.701	40%	0.396	S	S	*	.	S	Bend	trans	69.8	-8	175.8	0	0	0	0	0	115.4	N808 K812	N808-G810 PolarHBondContact O-N 2.99Å; G810-K812 PolarHBondContact O-N 2.85Å
811	K	56.5	Low	75	Confident	154 Å²	154	78.2 Å²	78.2	67%	0.67	42%	0.418	S	S	*	.			trans	-74.9	92.3	176.7	-66.4	-176.5	-177.7	178.1	0	110.4	N808 D809 G813	N808-K811 PolarHBondContact ND2-O 2.92Å; D809-K811 PolarHBondContact O-N 3.44Å; K811-G813 PolarHBondContact O-N 2.73Å
812	K	56.1	Low	73.9	Confident	206 Å²	206	78 Å²	78	90%	0.896	42%	0.422	S	S	*	.			trans	-76.9	39.3	170.4	-67.4	-175	179.3	176.5	0	112.5	G810	G810-K812 PolarHBondContact O-N 2.85Å
813	G	59	Low	73	Confident	32 Å²	32	78.6 Å²	78.6	33%	0.33	42%	0.418	S	S	.	.			trans	-70.5	139.3	174.6	0	0	0	0	0	110.9	K811	K811-G813 PolarHBondContact O-N 2.73Å
814	N	68.4	Low	72.2	Confident	71 Å²	71	81.2 Å²	81.2	38%	0.38	43%	0.428	S	S	.	.			trans	-65.4	139.3	162	-174.2	4.7	0	0	0	107.9	M816 D817 H818	N814-M816 PolarHBondContact O-N 2.82Å; N814-D817 HydrophobicContact CB-CB 4.12Å; N814-D817 VanDerWaalsContact CB-OD2 3.29Å; N814-D817 WeakPolarHBondContact CB-OD2 3.45Å; N814-D817 PolarHBondContact O-N 2.95Å; N814-H818 PolarHBondContact O-N 3.26Å
815	L	74	Confident	71.3	Confident	8 Å²	8	85.3 Å²	85.3	4%	0.042	45%	0.454	C	S	.	.	H	α-helix	trans	-59.5	-36	-179.9	-175.8	60.1	0	0	0	111.3	F641 F642 L646 W679 H818 V819	F641-L815 HydrophobicContact CD1-CD1 4.14Å; F641-L815 HydrophobicContact CE1-CD1 3.96Å; F642-L815 HydrophobicContact CB-CD1 4.22Å; F642-L815 HydrophobicContact CD2-CD1 3.47Å; F642-L815 VanDerWaalsContact CD2-CD1 3.47Å; F642-L815 HydrophobicContact CD2-CD2 4.08Å; F642-L815 HydrophobicContact CD2-CG 4.04Å; F642-L815 HydrophobicContact CE2-CD1 4.04Å; F642-L815 HydrophobicContact CE2-CD2 3.89Å; F642-L815 HydrophobicContact CE2-CG 4.09Å; F642-L815 HydrophobicContact CG-CD1 4.07Å; F642-L815 HydrophobicContact CZ-CD2 4.38Å; L646-L815 HydrophobicContact CD2-CD2 4.27Å; W679-L815 HydrophobicContact CB-CD2 3.91Å; W679-L815 HydrophobicContact CB-CG 4.32Å; W679-L815 WeakPolarHBondContact O-CD2 3.37Å; L815-H818 PolarHBondContact O-N 2.88Å; L815-V819 WeakPolarHBondContact O-CG2 3.48Å; L815-V819 PolarHBondContact O-N 2.65Å
816	M	75.1	Confident	70.6	Confident	50 Å²	50	84.3 Å²	84.3	25%	0.246	45%	0.451	C	S	.	.	H	α-helix	trans	-62.2	-42.9	175.1	-161.4	-177.2	-161.6	0	0	111.8	R678 N814 H818 V819 F820	R678-M816 HydrophobicContact CB-SD 4.17Å; R678-M816 HydrophobicContact CG-CE 4.17Å; R678-M816 HydrophobicContact CG-SD 4.03Å; N814-M816 PolarHBondContact O-N 2.82Å; M816-H818 VanDerWaalsContact C-N 3.33Å; M816-V819 PolarHBondContact O-N 3.21Å; M816-F820 HydrophobicContact CE-CE2 3.63Å; M816-F820 HydrophobicContact CE-CZ 4Å; M816-F820 HydrophobicContact CG-CD2 3.79Å; M816-F820 HydrophobicContact CG-CE2 3.52Å; M816-F820 WeakPolarHBondContact O-CB 3.36Å; M816-F820 WeakPolarHBondContact O-CD2 3.45Å; M816-F820 PolarHBondContact O-N 3.49Å; M816-F820 HydrophobicContact SD-CE2 3.86Å
817	D	76	Confident	70.2	Confident	79 Å²	79	83.3 Å²	83.3	42%	0.422	44%	0.436	S	S	.	.	H	α-helix	trans	-67.9	-35.1	176.8	-59.5	-14.6	0	0	0	110.8	N814 F820 N821	N814-D817 HydrophobicContact CB-CB 4.12Å; N814-D817 VanDerWaalsContact CB-OD2 3.29Å; N814-D817 WeakPolarHBondContact CB-OD2 3.45Å; N814-D817 PolarHBondContact O-N 2.95Å; D817-F820 PolarHBondContact O-N 3.45Å; D817-N821 WeakPolarHBondContact O-CB 3.39Å; D817-N821 PolarHBondContact O-N 2.85Å; D817-N821 PolarHBondContact O-ND2 3.04Å; D817-N821 PolarHBondContact O-OD1 3.06Å
818	H	75.1	Confident	69.7	Low	55 Å²	55	85.4 Å²	85.4	26%	0.255	45%	0.452	S	S	.	.	H	α-helix	trans	-64.5	-43.5	173	-174	69.8	0	0	0	111.6	D639 F641 N814 L815 M816 N821 M822	D639-H818 IonicContact OD1-NE2 2.68Å; D639-H818 IonicContact OD2-CD2 3.91Å; D639-H818 IonicContact OD2-CE1 3.1Å; D639-H818 IonicContact OD2-NE2 2.65Å; D639-H818 PolarHBondContact OD2-NE2 2.69Å; F641-H818 HydrophobicContact CD1-CB 4.02Å; F641-H818 AromaticContact CD1-CD2 3.46Å; F641-H818 VanDerWaalsContact CD1-CD2 3.46Å; F641-H818 WeakPolarHBondContact CD1-CD2 3.4Å; F641-H818 AromaticContact CD1-CG 3.57Å; F641-H818 AromaticContact CD1-NE2 3.85Å; F641-H818 HydrophobicContact CE1-CB 3.59Å; F641-H818 AromaticContact CE1-CD2 3.99Å; F641-H818 AromaticContact CE1-CG 3.68Å; N814-H818 PolarHBondContact O-N 3.26Å; L815-H818 PolarHBondContact O-N 2.88Å; M816-H818 VanDerWaalsContact C-N 3.33Å; H818-N821 PolarHBondContact O-N 3.34Å; H818-M822 VanDerWaalsContact O-CB 3.29Å; H818-M822 WeakPolarHBondContact O-CB 3.29Å; H818-M822 PolarHBondContact O-N 2.79Å
819	V	72.8	Confident	70	Confident	21 Å²	21	87.7 Å²	87.7	13%	0.127	47%	0.468	C	S	.	.	H	α-helix	trans	-64.6	-40.2	174.1	174.3	0	0	0	0	110.9	M636 F642 L815 M816 M822 L823	M636-V819 HydrophobicContact CE-CG2 4.36Å; F642-V819 HydrophobicContact CD2-CG2 4.16Å; F642-V819 HydrophobicContact CE2-CG2 3.98Å; L815-V819 WeakPolarHBondContact O-CG2 3.48Å; L815-V819 PolarHBondContact O-N 2.65Å; M816-V819 PolarHBondContact O-N 3.21Å; V819-M822 PolarHBondContact O-N 2.74Å; V819-L823 HydrophobicContact CG1-CD1 4.21Å; V819-L823 VanDerWaalsContact O-CG 3.28Å; V819-L823 WeakPolarHBondContact O-CG 3.27Å; V819-L823 PolarHBondContact O-N 3.19Å
820	F	77	Confident	70.5	Confident	108 Å²	108	85.2 Å²	85.2	47%	0.474	45%	0.454	S	S	.	.	H	α-helix	trans	-67.1	-45.8	175.6	-82.6	-59.6	0	0	0	112.3	M816 D817 M822 L823 E824	M816-F820 HydrophobicContact CE-CE2 3.63Å; M816-F820 HydrophobicContact CE-CZ 4Å; M816-F820 HydrophobicContact CG-CD2 3.79Å; M816-F820 HydrophobicContact CG-CE2 3.52Å; M816-F820 WeakPolarHBondContact O-CB 3.36Å; M816-F820 WeakPolarHBondContact O-CD2 3.45Å; M816-F820 PolarHBondContact O-N 3.49Å; M816-F820 HydrophobicContact SD-CE2 3.86Å; D817-F820 PolarHBondContact O-N 3.45Å; F820-M822 VanDerWaalsContact C-N 3.29Å; F820-M822 PolarHBondContact O-N 2.76Å; F820-L823 CarbonylContact O-C 3.41Å; F820-L823 WeakPolarHBondContact O-CA 3.35Å; F820-L823 WeakPolarHBondContact O-CB 3.46Å; F820-L823 PolarHBondContact O-N 2.71Å; F820-L823 VanDerWaalsContact O-N 3.07Å; F820-E824 VanDerWaalsContact O-CB 3.28Å; F820-E824 WeakPolarHBondContact O-CB 3.49Å; F820-E824 PolarHBondContact O-N 3.3Å
821	N	73.6	Confident	71.3	Confident	86 Å²	86	88.5 Å²	88.5	46%	0.46	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-39.5	175.8	-71.8	-14.7	0	0	0	111	D817 H818 L823 E824 T825	D817-N821 WeakPolarHBondContact O-CB 3.39Å; D817-N821 PolarHBondContact O-N 2.85Å; D817-N821 PolarHBondContact O-ND2 3.04Å; D817-N821 PolarHBondContact O-OD1 3.06Å; H818-N821 PolarHBondContact O-N 3.34Å; N821-L823 VanDerWaalsContact C-N 3.31Å; N821-L823 PolarHBondContact O-N 3.42Å; N821-E824 PolarHBondContact O-N 2.92Å; N821-T825 WeakPolarHBondContact O-CB 3.39Å; N821-T825 PolarHBondContact O-N 3.38Å; N821-T825 PolarHBondContact O-OG1 2.99Å
822	M	71.5	Confident	72.2	Confident	78 Å²	78	87.3 Å²	87.3	38%	0.384	45%	0.448	S	S	.	.	H	α-helix	trans	-60.4	-43.4	173.9	-172.1	-159.9	-63.9	0	0	110.6	H818 V819 F820 Y826	H818-M822 VanDerWaalsContact O-CB 3.29Å; H818-M822 WeakPolarHBondContact O-CB 3.29Å; H818-M822 PolarHBondContact O-N 2.79Å; V819-M822 PolarHBondContact O-N 2.74Å; F820-M822 VanDerWaalsContact C-N 3.29Å; F820-M822 PolarHBondContact O-N 2.76Å; M822-Y826 WeakPolarHBondContact O-CB 3.26Å; M822-Y826 PolarHBondContact O-N 2.68Å
823	L	73.3	Confident	73.1	Confident	92 Å²	92	82.7 Å²	82.7	48%	0.482	43%	0.43	S	S	.	.	H	α-helix	trans	-71.8	-37.1	177.5	-69.7	170.5	0	0	0	113.2	V819 F820 N821 Y826 A827	V819-L823 HydrophobicContact CG1-CD1 4.21Å; V819-L823 VanDerWaalsContact O-CG 3.28Å; V819-L823 WeakPolarHBondContact O-CG 3.27Å; V819-L823 PolarHBondContact O-N 3.19Å; F820-L823 CarbonylContact O-C 3.41Å; F820-L823 WeakPolarHBondContact O-CA 3.35Å; F820-L823 WeakPolarHBondContact O-CB 3.46Å; F820-L823 PolarHBondContact O-N 2.71Å; F820-L823 VanDerWaalsContact O-N 3.07Å; N821-L823 VanDerWaalsContact C-N 3.31Å; N821-L823 PolarHBondContact O-N 3.42Å; L823-Y826 PolarHBondContact O-N 3.38Å; L823-A827 WeakPolarHBondContact O-CB 3.33Å; L823-A827 PolarHBondContact O-N 3.41Å
824	E	73.6	Confident	74	Confident	125 Å²	125	85.4 Å²	85.4	58%	0.584	44%	0.44	S	S	*	.	H	α-helix	trans	-73.8	-41.8	179.7	-176	175.3	-164.7	0	0	111.2	F820 N821 Y826 A827 S828	F820-E824 VanDerWaalsContact O-CB 3.28Å; F820-E824 WeakPolarHBondContact O-CB 3.49Å; F820-E824 PolarHBondContact O-N 3.3Å; N821-E824 PolarHBondContact O-N 2.92Å; E824-Y826 VanDerWaalsContact C-N 3.26Å; E824-Y826 PolarHBondContact O-N 3.3Å; E824-A827 CarbonylContact O-C 3.57Å; E824-A827 PolarHBondContact O-N 3.21Å; E824-A827 VanDerWaalsContact O-N 3.1Å; E824-S828 WeakPolarHBondContact O-CB 3.36Å; E824-S828 PolarHBondContact O-N 3.24Å
825	T	73.9	Confident	74.3	Confident	89 Å²	89	87.6 Å²	87.6	55%	0.546	45%	0.451	S	S	.	.	H	α-helix	trans	-59.2	-44.6	172	-55.3	0	0	0	0	109.5	N821 A827 T829	N821-T825 WeakPolarHBondContact O-CB 3.39Å; N821-T825 PolarHBondContact O-N 3.38Å; N821-T825 PolarHBondContact O-OG1 2.99Å; T825-A827 VanDerWaalsContact C-N 3.31Å; T825-A827 PolarHBondContact O-N 2.96Å; T825-T829 WeakPolarHBondContact O-CB 3.48Å; T825-T829 PolarHBondContact O-N 3.48Å; T825-T829 PolarHBondContact O-OG1 3.12Å
826	Y	71	Confident	74.5	Confident	177 Å²	177	93.5 Å²	93.5	69%	0.694	48%	0.479	S	S	*	.	H	α-helix	trans	-61.8	-38.1	175.7	-168.4	-94.4	0	0	0	112.2	M822 L823 E824 L830	M822-Y826 WeakPolarHBondContact O-CB 3.26Å; M822-Y826 PolarHBondContact O-N 2.68Å; L823-Y826 PolarHBondContact O-N 3.38Å; E824-Y826 VanDerWaalsContact C-N 3.26Å; E824-Y826 PolarHBondContact O-N 3.3Å; Y826-L830 PolarHBondContact O-N 2.89Å
827	A	74.7	Confident	74.5	Confident	46 Å²	46	99.4 Å²	99.4	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-73.6	-45.9	177.6	0	0	0	0	0	113.6	L823 E824 T825 L830 E831	L823-A827 WeakPolarHBondContact O-CB 3.33Å; L823-A827 PolarHBondContact O-N 3.41Å; E824-A827 CarbonylContact O-C 3.57Å; E824-A827 PolarHBondContact O-N 3.21Å; E824-A827 VanDerWaalsContact O-N 3.1Å; T825-A827 VanDerWaalsContact C-N 3.31Å; T825-A827 PolarHBondContact O-N 2.96Å; A827-L830 WeakPolarHBondContact O-CA 3.13Å; A827-L830 VanDerWaalsContact O-CB 3.29Å; A827-L830 WeakPolarHBondContact O-CB 3.12Å; A827-L830 PolarHBondContact O-N 2.79Å; A827-L830 VanDerWaalsContact O-N 3.13Å; A827-E831 PolarHBondContact O-N 3.28Å
828	S	73.5	Confident	74.7	Confident	63 Å²	63	99.2 Å²	99.2	44%	0.441	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-43.3	179.5	-179.2	0	0	0	0	111.7	E824 L830 E831 E832	E824-S828 WeakPolarHBondContact O-CB 3.36Å; E824-S828 PolarHBondContact O-N 3.24Å; S828-L830 PolarHBondContact O-N 3.24Å; S828-E831 PolarHBondContact O-N 3.2Å; S828-E832 PolarHBondContact O-N 3.48Å
829	T	75.7	Confident	74.8	Confident	82 Å²	82	103.7 Å²	103.7	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-59.7	-36.8	176.5	-48.4	0	0	0	0	110.3	T825 E833	T825-T829 WeakPolarHBondContact O-CB 3.48Å; T825-T829 PolarHBondContact O-N 3.48Å; T825-T829 PolarHBondContact O-OG1 3.12Å; T829-E833 PolarHBondContact O-N 2.84Å
830	L	73.4	Confident	75.1	Confident	99 Å²	99	109 Å²	109	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-70.9	-39.6	176.9	-152.5	94.5	0	0	0	112.5	Y826 A827 S828 V834	Y826-L830 PolarHBondContact O-N 2.89Å; A827-L830 WeakPolarHBondContact O-CA 3.13Å; A827-L830 VanDerWaalsContact O-CB 3.29Å; A827-L830 WeakPolarHBondContact O-CB 3.12Å; A827-L830 PolarHBondContact O-N 2.79Å; A827-L830 VanDerWaalsContact O-N 3.13Å; S828-L830 PolarHBondContact O-N 3.24Å; L830-V834 VanDerWaalsContact O-CG2 3.28Å; L830-V834 WeakPolarHBondContact O-CG2 3.31Å; L830-V834 PolarHBondContact O-N 3.4Å
831	E	73.5	Confident	75.3	Confident	138 Å²	138	110 Å²	110	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-66.9	-41.1	178.2	-76.1	-174.6	174.4	0	0	112.6	A827 S828 V834 N835	A827-E831 PolarHBondContact O-N 3.28Å; S828-E831 PolarHBondContact O-N 3.2Å; E831-V834 PolarHBondContact O-N 2.75Å; E831-N835 PolarHBondContact O-N 3.35Å
832	E	75.6	Confident	75.6	Confident	128 Å²	128	109 Å²	109	60%	0.598	55%	0.549	S	S	*	.	H	α-helix	trans	-62.4	-45.6	178.9	-166.1	166.9	-159	0	0	111.1	S828 V834 N835 E836	S828-E832 PolarHBondContact O-N 3.48Å; E832-V834 VanDerWaalsContact C-N 3.29Å; E832-V834 PolarHBondContact O-N 3.05Å; E832-N835 PolarHBondContact O-N 3.12Å; E832-E836 PolarHBondContact O-N 3.23Å
833	E	74.6	Confident	75.9	Confident	110 Å²	110	110.6 Å²	110.6	51%	0.514	56%	0.555	S	S	.	*	H	α-helix	trans	-62.3	-35.2	176.6	-164.4	179.5	176.8	0	0	112.3	T829	T829-E833 PolarHBondContact O-N 2.84Å
834	V	76.9	Confident	76	Confident	89 Å²	89	113.1 Å²	113.1	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-72.1	-39.5	176.5	171.2	0	0	0	0	112	L830 E831 E832 T838	L830-V834 VanDerWaalsContact O-CG2 3.28Å; L830-V834 WeakPolarHBondContact O-CG2 3.31Å; L830-V834 PolarHBondContact O-N 3.4Å; E831-V834 PolarHBondContact O-N 2.75Å; E832-V834 VanDerWaalsContact C-N 3.29Å; E832-V834 PolarHBondContact O-N 3.05Å; V834-T838 PolarHBondContact O-N 3.4Å; V834-T838 PolarHBondContact O-OG1 3.32Å
835	N	75.7	Confident	76.3	Confident	117 Å²	117	112.8 Å²	112.8	63%	0.626	56%	0.563	S	S	*	*	H	α-helix	trans	-69.2	-42.9	-179.3	-101.6	-11.1	0	0	0	112.5	E831 E832 R837 T838 K839	E831-N835 PolarHBondContact O-N 3.35Å; E832-N835 PolarHBondContact O-N 3.12Å; N835-R837 PolarHBondContact O-N 3.17Å; N835-T838 PolarHBondContact O-N 2.87Å; N835-K839 PolarHBondContact O-N 2.94Å; N835-K839 VanDerWaalsContact O-N 3.13Å
836	E	77.3	Confident	76.6	Confident	131 Å²	131	115.4 Å²	115.4	61%	0.612	57%	0.567	S	S	*	*	H	α-helix	trans	-56.9	-49.2	176.4	-81.3	-166.8	144.1	0	0	111.2	E832 T838 K839 E840	E832-E836 PolarHBondContact O-N 3.23Å; E836-T838 VanDerWaalsContact C-N 3.27Å; E836-T838 PolarHBondContact O-N 3.5Å; E836-K839 PolarHBondContact O-N 3.12Å; E836-E840 PolarHBondContact O-N 3.25Å
837	R	76.4	Confident	77.1	Confident	175 Å²	175	113.1 Å²	113.1	66%	0.66	56%	0.561	S	S	*	*	H	α-helix	trans	-62.7	-31.5	178	-72.8	-158	-179.7	178.5	6.8	113.9	N835 L841	N835-R837 PolarHBondContact O-N 3.17Å; R837-L841 PolarHBondContact O-N 2.87Å
838	T	79.4	Confident	77.3	Confident	75 Å²	75	114.6 Å²	114.6	46%	0.46	57%	0.568	S	S	.	*	H	α-helix	trans	-70.7	-36.9	178.4	-57.1	0	0	0	0	111.6	V834 N835 E836 L841 V842	V834-T838 PolarHBondContact O-N 3.4Å; V834-T838 PolarHBondContact O-OG1 3.32Å; N835-T838 PolarHBondContact O-N 2.87Å; E836-T838 VanDerWaalsContact C-N 3.27Å; E836-T838 PolarHBondContact O-N 3.5Å; T838-L841 PolarHBondContact O-N 2.83Å; T838-V842 PolarHBondContact O-N 3.15Å
839	K	78.3	Confident	77.8	Confident	148 Å²	148	113.1 Å²	113.1	64%	0.643	56%	0.555	S	S	*	*	H	α-helix	trans	-66.7	-45.1	179.7	-171.9	-176.6	174.9	-168.2	0	112.2	N835 E836 L841 V842 E843	N835-K839 PolarHBondContact O-N 2.94Å; N835-K839 VanDerWaalsContact O-N 3.13Å; E836-K839 PolarHBondContact O-N 3.12Å; K839-L841 VanDerWaalsContact C-N 3.29Å; K839-L841 PolarHBondContact O-N 3.02Å; K839-V842 PolarHBondContact O-N 3.45Å; K839-E843 PolarHBondContact O-N 3.13Å
840	E	79.1	Confident	78	Confident	134 Å²	134	113 Å²	113	63%	0.626	55%	0.554	S	S	*	*	H	α-helix	trans	-58.4	-41	177.5	-67.5	-179.8	165.3	0	0	112	E836 V842 E843 E844	E836-E840 PolarHBondContact O-N 3.25Å; E840-V842 VanDerWaalsContact C-N 3.34Å; E840-V842 PolarHBondContact O-N 2.84Å; E840-E843 PolarHBondContact O-N 3.2Å; E840-E844 PolarHBondContact O-N 3.39Å
841	L	80.8	Confident	78.4	Confident	128 Å²	128	113.4 Å²	113.4	67%	0.67	56%	0.556	S	S	*	*	H	α-helix	trans	-61.5	-38.6	-179.8	-160.2	89.1	0	0	0	112.8	R837 T838 K839 Q845	R837-L841 PolarHBondContact O-N 2.87Å; T838-L841 PolarHBondContact O-N 2.83Å; K839-L841 VanDerWaalsContact C-N 3.29Å; K839-L841 PolarHBondContact O-N 3.02Å; L841-Q845 PolarHBondContact O-N 2.64Å; L841-Q845 VanDerWaalsContact O-N 3.15Å
842	V	79.5	Confident	78.8	Confident	66 Å²	66	109 Å²	109	40%	0.4	54%	0.537	S	S	.	.	H	α-helix	trans	-70.6	-36	-178.1	173.3	0	0	0	0	111.9	T838 K839 E840 K846	T838-V842 PolarHBondContact O-N 3.15Å; K839-V842 PolarHBondContact O-N 3.45Å; E840-V842 VanDerWaalsContact C-N 3.34Å; E840-V842 PolarHBondContact O-N 2.84Å; V842-K846 PolarHBondContact O-N 3.4Å
843	E	77.7	Confident	79.1	Confident	110 Å²	110	106.3 Å²	106.3	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-71.8	-40	178.6	-69.6	-169.3	174.6	0	0	112.5	K839 E840 Q845 K846 K847	K839-E843 PolarHBondContact O-N 3.13Å; E840-E843 PolarHBondContact O-N 3.2Å; E843-Q845 VanDerWaalsContact C-N 3.33Å; E843-K846 PolarHBondContact O-N 3.06Å; E843-K847 PolarHBondContact O-N 3.4Å
844	E	76.3	Confident	79.2	Confident	146 Å²	146	110.9 Å²	110.9	68%	0.682	53%	0.534	S	S	*	.	H	α-helix	trans	-59.7	-43.4	171.8	-81.5	-119.3	123.3	0	0	111.7	E840 K846 K847 S848	E840-E844 PolarHBondContact O-N 3.39Å; E844-K846 PolarHBondContact O-N 2.62Å; E844-K847 PolarHBondContact O-N 2.8Å; E844-S848 PolarHBondContact O-N 3.35Å; E844-S848 VanDerWaalsContact O-N 3.11Å
845	Q	79.5	Confident	79.2	Confident	117 Å²	117	113.4 Å²	113.4	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-59.1	-43.8	179.3	-169.2	178.2	26.5	0	0	112.5	L841 E843 K847 S848 D849	L841-Q845 PolarHBondContact O-N 2.64Å; L841-Q845 VanDerWaalsContact O-N 3.15Å; E843-Q845 VanDerWaalsContact C-N 3.33Å; Q845-K847 PolarHBondContact O-N 2.67Å; Q845-S848 WeakPolarHBondContact O-CB 3.32Å; Q845-S848 PolarHBondContact O-N 2.85Å; Q845-D849 PolarHBondContact O-N 3.03Å
846	K	80.4	Confident	79.5	Confident	145 Å²	145	108 Å²	108	63%	0.63	51%	0.513	S	S	*	.	H	α-helix	trans	-63.5	-39.4	178.9	-75.9	178.9	-178.4	171.8	0	113.1	V842 E843 E844 S848 D849 V850	V842-K846 PolarHBondContact O-N 3.4Å; E843-K846 PolarHBondContact O-N 3.06Å; E844-K846 PolarHBondContact O-N 2.62Å; K846-S848 VanDerWaalsContact C-N 3.35Å; K846-D849 PolarHBondContact O-N 2.86Å; K846-V850 PolarHBondContact O-N 3.2Å
847	K	79.7	Confident	79.7	Confident	129 Å²	129	102.4 Å²	102.4	56%	0.561	49%	0.488	S	S	*	.	H	α-helix	trans	-65.2	-42	177.1	-70	174	-176.1	166.8	0	110.7	E843 E844 Q845 D849 L851	E843-K847 PolarHBondContact O-N 3.4Å; E844-K847 PolarHBondContact O-N 2.8Å; Q845-K847 PolarHBondContact O-N 2.67Å; K847-D849 VanDerWaalsContact C-N 3.34Å; K847-D849 PolarHBondContact O-N 3.12Å; K847-L851 PolarHBondContact O-N 3.01Å
848	S	80.2	Confident	80.1	Confident	76 Å²	76	100.7 Å²	100.7	53%	0.531	49%	0.485	S	S	.	.	H	α-helix	trans	-60.3	-42.2	175.5	-173.9	0	0	0	0	112.1	E844 Q845 K846 L851 L852	E844-S848 PolarHBondContact O-N 3.35Å; E844-S848 VanDerWaalsContact O-N 3.11Å; Q845-S848 WeakPolarHBondContact O-CB 3.32Å; Q845-S848 PolarHBondContact O-N 2.85Å; K846-S848 VanDerWaalsContact C-N 3.35Å; S848-L851 PolarHBondContact O-N 2.85Å; S848-L852 PolarHBondContact O-N 2.78Å; S848-L852 VanDerWaalsContact O-N 3.11Å
849	D	83.2	Confident	80.3	Confident	32 Å²	32	100.3 Å²	100.3	17%	0.171	48%	0.483	C	S	.	.	H	α-helix	trans	-62.9	-44.5	-179.7	-78.1	-14	0	0	0	113.6	Q845 K846 K847 L851 L852 Y853 K865	Q845-D849 PolarHBondContact O-N 3.03Å; K846-D849 PolarHBondContact O-N 2.86Å; K847-D849 VanDerWaalsContact C-N 3.34Å; K847-D849 PolarHBondContact O-N 3.12Å; D849-L851 VanDerWaalsContact C-N 3.34Å; D849-L851 PolarHBondContact O-N 3.24Å; D849-L852 WeakPolarHBondContact O-CB 3.13Å; D849-L852 PolarHBondContact O-N 2.9Å; D849-Y853 HydrophobicContact CB-CE2 4.08Å; D849-Y853 WeakPolarHBondContact O-CD2 3.33Å; D849-Y853 PolarHBondContact O-N 3.09Å; D849-Y853 VanDerWaalsContact O-N 3.08Å; D849-K865 WeakPolarHBondContact OD1-CD 3.41Å; D849-K865 WeakPolarHBondContact OD1-CE 3.15Å; D849-K865 IonicContact OD1-NZ 3.97Å; D849-K865 PolarHBondContact OD1-NZ 3.4Å; D849-K865 IonicContact OD2-NZ 3.38Å; D849-K865 PolarHBondContact OD2-NZ 2.99Å
850	V	79.9	Confident	80.6	Confident	81 Å²	81	93.6 Å²	93.6	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-63.7	-40.2	-179.6	173.1	0	0	0	0	111.7	K846 L852 R854	K846-V850 PolarHBondContact O-N 3.2Å; V850-L852 VanDerWaalsContact C-N 3.33Å; V850-R854 PolarHBondContact O-N 2.89Å
851	L	81.9	Confident	80.9	Confident	107 Å²	107	87.2 Å²	87.2	56%	0.56	42%	0.424	S	S	*	.	H	α-helix	trans	-64.2	-40.9	175.8	-71.3	170.8	0	0	0	111.1	K847 S848 D849 R854 M855	K847-L851 PolarHBondContact O-N 3.01Å; S848-L851 PolarHBondContact O-N 2.85Å; D849-L851 VanDerWaalsContact C-N 3.34Å; D849-L851 PolarHBondContact O-N 3.24Å; L851-R854 PolarHBondContact O-N 2.98Å; L851-M855 PolarHBondContact O-N 3.46Å
852	L	82.5	Confident	81.2	Confident	44 Å²	44	84.9 Å²	84.9	23%	0.23	41%	0.41	C	S	.	.	H	α-helix	trans	-63.2	-43.1	179.2	-169.7	67.6	0	0	0	112.4	S848 D849 V850 R854 M855 L856 A861 K865	S848-L852 PolarHBondContact O-N 2.78Å; S848-L852 VanDerWaalsContact O-N 3.11Å; D849-L852 WeakPolarHBondContact O-CB 3.13Å; D849-L852 PolarHBondContact O-N 2.9Å; V850-L852 VanDerWaalsContact C-N 3.33Å; L852-R854 PolarHBondContact O-N 3.2Å; L852-M855 PolarHBondContact O-N 3.13Å; L852-M855 VanDerWaalsContact O-N 3.13Å; L852-L856 HydrophobicContact CD1-CD1 4.25Å; L852-L856 PolarHBondContact O-N 2.82Å; L852-A861 HydrophobicContact CD2-CB 4Å; L852-A861 HydrophobicContact CG-CB 3.92Å; L852-K865 HydrophobicContact CD2-CD 3.91Å; L852-K865 HydrophobicContact CD2-CG 3.57Å
853	Y	81.6	Confident	81.5	Confident	72 Å²	72	87 Å²	87	28%	0.282	41%	0.414	S	S	.	.	H	α-helix	trans	-67.2	-17.7	177.9	-60.5	-46.3	0	0	0	114.2	D849 K858 A861 E862 K865	D849-Y853 HydrophobicContact CB-CE2 4.08Å; D849-Y853 WeakPolarHBondContact O-CD2 3.33Å; D849-Y853 PolarHBondContact O-N 3.09Å; D849-Y853 VanDerWaalsContact O-N 3.08Å; Y853-K858 HydrophobicContact CD1-CB 4.49Å; Y853-K858 HydrophobicContact CD1-CG 3.98Å; Y853-K858 HydrophobicContact CE1-CG 4.08Å; Y853-A861 HydrophobicContact CD1-CB 3.54Å; Y853-A861 HydrophobicContact CE1-CB 3.79Å; Y853-E862 HydrophobicContact CE1-CG 4.24Å; Y853-E862 WeakPolarHBondContact CE1-OE1 3.47Å; Y853-E862 VanDerWaalsContact OH-CD 3.26Å; Y853-E862 PolarHBondContact OH-OE1 2.84Å; Y853-K865 PolarHBondContact OH-NZ 3.27Å; Y853-K865 VanDerWaalsContact OH-NZ 3.08Å
854	R	75.8	Confident	81.8	Confident	207 Å²	207	84.4 Å²	84.4	78%	0.781	40%	0.403	S	S	*	.	H	α-helix	trans	-84.6	-20.8	173.7	-72.1	-178.8	173.3	-175.8	-2.6	113.1	V850 L851 L852	V850-R854 PolarHBondContact O-N 2.89Å; L851-R854 PolarHBondContact O-N 2.98Å; L852-R854 PolarHBondContact O-N 3.2Å
855	M	76.8	Confident	82.1	Confident	141 Å²	141	81.4 Å²	81.4	70%	0.695	39%	0.388	S	S	*	.	H	α-helix	trans	-95.5	-25.2	-178.6	-70.2	-173	162.5	0	0	113.5	L851 L852	L851-M855 PolarHBondContact O-N 3.46Å; L852-M855 PolarHBondContact O-N 3.13Å; L852-M855 VanDerWaalsContact O-N 3.13Å
856	L	82.2	Confident	82.4	Confident	5 Å²	5	79.1 Å²	79.1	3%	0.026	39%	0.389	C	S	.	.	S	Bend	trans	-136.2	153.9	-175.5	-69.4	174.7	0	0	0	111	L852 K858 V860 A861 L864 P993	L852-L856 HydrophobicContact CD1-CD1 4.25Å; L852-L856 PolarHBondContact O-N 2.82Å; L856-K858 PolarHBondContact O-N 3.09Å; L856-V860 HydrophobicContact CB-CG1 4.31Å; L856-V860 HydrophobicContact CD1-CG1 4.21Å; L856-V860 HydrophobicContact CD2-CG1 4.31Å; L856-A861 HydrophobicContact CB-CB 4.42Å; L856-L864 HydrophobicContact CD1-CD1 3.38Å; L856-P993 HydrophobicContact CD1-CB 4.24Å; L856-P993 HydrophobicContact CD1-CG 4.03Å; L856-P993 WeakPolarHBondContact CD2-O 3.01Å
857	P	82.8	Confident	82.4	Confident	12 Å²	12	75.6 Å²	75.6	8%	0.078	39%	0.394	C	S	.	.			trans	-54.9	140.5	170.1	-15.7	24.4	0	0	0	110.7	T859 V860 A861 Y921 P937 Y995	P857-T859 VanDerWaalsContact C-N 3.26Å; P857-T859 PolarHBondContact O-N 3.5Å; P857-T859 VanDerWaalsContact O-N 3.15Å; P857-V860 HydrophobicContact CB-CB 4.31Å; P857-V860 HydrophobicContact CB-CG2 4.01Å; P857-V860 HydrophobicContact CG-CB 4.35Å; P857-V860 HydrophobicContact CG-CG2 3.93Å; P857-V860 WeakPolarHBondContact O-CA 3.46Å; P857-V860 VanDerWaalsContact O-CB 3.3Å; P857-V860 WeakPolarHBondContact O-CB 3.39Å; P857-V860 PolarHBondContact O-N 3.09Å; P857-A861 PolarHBondContact O-N 3.48Å; P857-Y921 HydrophobicContact CB-CE2 4.34Å; P857-Y921 WeakPolarHBondContact CD-OH 3.35Å; P857-Y921 HydrophobicContact CG-CD2 4.11Å; P857-Y921 HydrophobicContact CG-CE1 4.43Å; P857-Y921 HydrophobicContact CG-CE2 3.49Å; P857-Y921 VanDerWaalsContact CG-CE2 3.49Å; P857-P937 HydrophobicContact CB-CG 3.82Å; P857-P937 HydrophobicContact CG-CG 4.11Å; P857-Y995 HydrophobicContact CG-CD1 3.92Å; P857-Y995 HydrophobicContact CG-CE1 4.45Å; P857-Y995 HydrophobicContact CG-CG 4.09Å
858	K	83.9	Confident	82.6	Confident	140 Å²	140	74 Å²	74	61%	0.609	39%	0.39	S	S	*	.	H	α-helix	trans	-53.7	-41.7	-174.7	-170.6	175.8	-178.4	179.1	0	113.3	Y853 L856 V860 A861 E862	Y853-K858 HydrophobicContact CD1-CB 4.49Å; Y853-K858 HydrophobicContact CD1-CG 3.98Å; Y853-K858 HydrophobicContact CE1-CG 4.08Å; L856-K858 PolarHBondContact O-N 3.09Å; K858-V860 PolarHBondContact O-N 3.4Å; K858-A861 PolarHBondContact O-N 2.95Å; K858-E862 WeakPolarHBondContact O-CG 3.37Å; K858-E862 PolarHBondContact O-N 3.26Å; K858-E862 VanDerWaalsContact O-N 3.08Å
859	T	83.8	Confident	82.7	Confident	67 Å²	67	75 Å²	75	41%	0.411	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-31.7	177.2	49.6	0	0	0	0	113.3	P857 K863	P857-T859 VanDerWaalsContact C-N 3.26Å; P857-T859 PolarHBondContact O-N 3.5Å; P857-T859 VanDerWaalsContact O-N 3.15Å; T859-K863 WeakPolarHBondContact O-CG 3.39Å
860	V	84.7	Confident	82.6	Confident	7 Å²	7	74.9 Å²	74.9	4%	0.042	40%	0.397	C	S	.	.	H	α-helix	trans	-78.9	-46.1	177.6	174.3	0	0	0	0	109.7	L856 P857 K858 E862 K863 L864 I870 V987 Y995	L856-V860 HydrophobicContact CB-CG1 4.31Å; L856-V860 HydrophobicContact CD1-CG1 4.21Å; L856-V860 HydrophobicContact CD2-CG1 4.31Å; P857-V860 HydrophobicContact CB-CB 4.31Å; P857-V860 HydrophobicContact CB-CG2 4.01Å; P857-V860 HydrophobicContact CG-CB 4.35Å; P857-V860 HydrophobicContact CG-CG2 3.93Å; P857-V860 WeakPolarHBondContact O-CA 3.46Å; P857-V860 VanDerWaalsContact O-CB 3.3Å; P857-V860 WeakPolarHBondContact O-CB 3.39Å; P857-V860 PolarHBondContact O-N 3.09Å; K858-V860 PolarHBondContact O-N 3.4Å; V860-E862 PolarHBondContact O-N 3.45Å; V860-K863 PolarHBondContact O-N 2.87Å; V860-L864 HydrophobicContact CG1-CD1 4.4Å; V860-L864 PolarHBondContact O-N 3.25Å; V860-I870 HydrophobicContact CB-CD1 3.82Å; V860-I870 HydrophobicContact CG1-CD1 3.21Å; V860-I870 HydrophobicContact CG2-CD1 4.3Å; V860-I870 VanDerWaalsContact O-CD1 3.3Å; V860-I870 WeakPolarHBondContact O-CD1 2.81Å; V860-V987 HydrophobicContact CG1-CG2 3.39Å; V860-Y995 HydrophobicContact CG2-CD2 3.98Å; V860-Y995 HydrophobicContact CG2-CE2 4.02Å
861	A	86.2	Confident	82.9	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-57.7	-43.9	178.2	0	0	0	0	0	112.9	L852 Y853 L856 P857 K858 L864 K865	L852-A861 HydrophobicContact CD2-CB 4Å; L852-A861 HydrophobicContact CG-CB 3.92Å; Y853-A861 HydrophobicContact CD1-CB 3.54Å; Y853-A861 HydrophobicContact CE1-CB 3.79Å; L856-A861 HydrophobicContact CB-CB 4.42Å; P857-A861 PolarHBondContact O-N 3.48Å; K858-A861 PolarHBondContact O-N 2.95Å; A861-L864 PolarHBondContact O-N 3.16Å; A861-K865 WeakPolarHBondContact O-CG 3.45Å; A861-K865 PolarHBondContact O-N 3.48Å
862	E	86.5	Confident	83.2	Confident	78 Å²	78	78.3 Å²	78.3	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-40.7	178.2	-66.8	-65	173.8	0	0	113	Y853 K858 V860 L864 K865 A866	Y853-E862 HydrophobicContact CE1-CG 4.24Å; Y853-E862 WeakPolarHBondContact CE1-OE1 3.47Å; Y853-E862 VanDerWaalsContact OH-CD 3.26Å; Y853-E862 PolarHBondContact OH-OE1 2.84Å; K858-E862 WeakPolarHBondContact O-CG 3.37Å; K858-E862 PolarHBondContact O-N 3.26Å; K858-E862 VanDerWaalsContact O-N 3.08Å; V860-E862 PolarHBondContact O-N 3.45Å; E862-L864 VanDerWaalsContact C-N 3.35Å; E862-K865 PolarHBondContact O-N 2.85Å; E862-K865 IonicContact OE2-NZ 3.1Å; E862-A866 PolarHBondContact O-N 3.3Å; E862-A866 VanDerWaalsContact O-N 3.08Å
863	K	85.5	Confident	83.6	Confident	111 Å²	111	80.4 Å²	80.4	48%	0.483	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-43	176.2	-75.5	-177.2	178.7	-175.2	0	111	T859 V860 A866 G867 I868 I870	T859-K863 WeakPolarHBondContact O-CG 3.39Å; V860-K863 PolarHBondContact O-N 2.87Å; K863-A866 PolarHBondContact O-N 2.85Å; K863-G867 PolarHBondContact O-N 3.17Å; K863-I868 HydrophobicContact CB-CB 4.35Å; K863-I868 WeakPolarHBondContact O-CA 3.17Å; K863-I868 WeakPolarHBondContact O-CB 3.21Å; K863-I868 PolarHBondContact O-N 3.46Å; K863-I870 HydrophobicContact CB-CD1 3.97Å; K863-I870 HydrophobicContact CB-CG1 3.94Å; K863-I870 HydrophobicContact CD-CG1 4.23Å
864	L	83.4	Confident	84.1	Confident	56 Å²	56	81 Å²	81	29%	0.293	43%	0.433	S	S	.	.	H	α-helix	trans	-64.7	-40.9	176.5	-68.9	177.3	0	0	0	112.4	L856 V860 A861 E862 A866 G867 I870 P993	L856-L864 HydrophobicContact CD1-CD1 3.38Å; V860-L864 HydrophobicContact CG1-CD1 4.4Å; V860-L864 PolarHBondContact O-N 3.25Å; A861-L864 PolarHBondContact O-N 3.16Å; E862-L864 VanDerWaalsContact C-N 3.35Å; L864-A866 VanDerWaalsContact C-N 3.26Å; L864-A866 PolarHBondContact O-N 3.4Å; L864-G867 PolarHBondContact O-N 2.92Å; L864-I870 HydrophobicContact CD1-CD1 4.43Å; L864-I870 HydrophobicContact CD2-CD1 4.04Å; L864-I870 HydrophobicContact CD2-CG1 4.32Å; L864-I870 HydrophobicContact CG-CD1 3.79Å; L864-P993 HydrophobicContact CD1-CB 4.13Å; L864-P993 HydrophobicContact CD1-CG 4.08Å
865	K	83.7	Confident	85	Confident	82 Å²	82	71.2 Å²	71.2	36%	0.357	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-35.7	174.8	-76.9	174.4	54.7	178	0	112.9	D849 L852 Y853 A861 E862 G867	D849-K865 WeakPolarHBondContact OD1-CD 3.41Å; D849-K865 WeakPolarHBondContact OD1-CE 3.15Å; D849-K865 IonicContact OD1-NZ 3.97Å; D849-K865 PolarHBondContact OD1-NZ 3.4Å; D849-K865 IonicContact OD2-NZ 3.38Å; D849-K865 PolarHBondContact OD2-NZ 2.99Å; L852-K865 HydrophobicContact CD2-CD 3.91Å; L852-K865 HydrophobicContact CD2-CG 3.57Å; Y853-K865 PolarHBondContact OH-NZ 3.27Å; Y853-K865 VanDerWaalsContact OH-NZ 3.08Å; A861-K865 WeakPolarHBondContact O-CG 3.45Å; A861-K865 PolarHBondContact O-N 3.48Å; E862-K865 PolarHBondContact O-N 2.85Å; E862-K865 IonicContact OE2-NZ 3.1Å; K865-G867 PolarHBondContact O-N 3.12Å
866	A	84.9	Confident	85.7	Confident	69 Å²	69	72.1 Å²	72.1	57%	0.57	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	2.8	175.8	0	0	0	0	0	113.6	E862 K863 L864 I868	E862-A866 PolarHBondContact O-N 3.3Å; E862-A866 VanDerWaalsContact O-N 3.08Å; K863-A866 PolarHBondContact O-N 2.85Å; L864-A866 VanDerWaalsContact C-N 3.26Å; L864-A866 PolarHBondContact O-N 3.4Å; A866-I868 HydrophobicContact CB-CD1 3.8Å; A866-I868 HydrophobicContact CB-CG1 3.91Å; A866-I868 PolarHBondContact O-N 2.96Å
867	G	82.1	Confident	86.3	Confident	71 Å²	71	74.8 Å²	74.8	73%	0.732	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	16.4	-175.7	0	0	0	0	0	113.8	K863 L864 K865	K863-G867 PolarHBondContact O-N 3.17Å; L864-G867 PolarHBondContact O-N 2.92Å; K865-G867 PolarHBondContact O-N 3.12Å
868	I	83.7	Confident	86.9	Confident	95 Å²	95	74.2 Å²	74.2	49%	0.487	41%	0.409	S	S	.	.			trans	-90	123.8	-177.9	-56	171.8	0	0	0	109	K863 A866	K863-I868 HydrophobicContact CB-CB 4.35Å; K863-I868 WeakPolarHBondContact O-CA 3.17Å; K863-I868 WeakPolarHBondContact O-CB 3.21Å; K863-I868 PolarHBondContact O-N 3.46Å; A866-I868 HydrophobicContact CB-CD1 3.8Å; A866-I868 HydrophobicContact CB-CG1 3.91Å; A866-I868 PolarHBondContact O-N 2.96Å
869	S	80.7	Confident	87.6	Confident	98 Å²	98	67.6 Å²	67.6	69%	0.685	38%	0.38	S	S	*	.			trans	-65.7	140.5	172.4	55.1	0	0	0	0	111.3
870	I	81.6	Confident	88.2	Confident	30 Å²	30	64.4 Å²	64.4	15%	0.154	36%	0.36	C	S	.	.			trans	-100	108.3	-178.2	-60.1	178	0	0	0	108.9	V860 K863 L864 V987	V860-I870 HydrophobicContact CB-CD1 3.82Å; V860-I870 HydrophobicContact CG1-CD1 3.21Å; V860-I870 HydrophobicContact CG2-CD1 4.3Å; V860-I870 VanDerWaalsContact O-CD1 3.3Å; V860-I870 WeakPolarHBondContact O-CD1 2.81Å; K863-I870 HydrophobicContact CB-CD1 3.97Å; K863-I870 HydrophobicContact CB-CG1 3.94Å; K863-I870 HydrophobicContact CD-CG1 4.23Å; L864-I870 HydrophobicContact CD1-CD1 4.43Å; L864-I870 HydrophobicContact CD2-CD1 4.04Å; L864-I870 HydrophobicContact CD2-CG1 4.32Å; L864-I870 HydrophobicContact CG-CD1 3.79Å; I870-V987 HydrophobicContact CB-CG2 4.14Å; I870-V987 HydrophobicContact CD1-CG2 3.92Å; I870-V987 HydrophobicContact CG2-CG2 4.14Å
871	E	85.5	Confident	88.8	Confident	163 Å²	163	64 Å²	64	76%	0.762	36%	0.358	S	S	*	.			trans	-69.9	141.5	176.4	-63.2	-173.5	164	0	0	110.9
872	P	88.4	Confident	89.2	Confident	97 Å²	97	64.9 Å²	64.9	63%	0.63	36%	0.362	S	S	*	.			trans	-60.2	136.8	173.5	-22.1	33	0	0	0	112.1	V984 A985	P872-V984 HydrophobicContact CB-CG1 3.96Å; P872-A985 CarbonylContact C-O 3.55Å; P872-A985 WeakPolarHBondContact CA-O 3.16Å
873	E	90.8	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	-116.9	137.5	-179.3	-176.4	-178.4	166.3	0	0	111	F875 R939 V984 A985	E873-F875 HydrophobicContact CB-CE2 3.85Å; E873-F875 HydrophobicContact CB-CZ 4.41Å; E873-F875 HydrophobicContact CG-CD2 4.39Å; E873-F875 HydrophobicContact CG-CE2 3.81Å; E873-F875 HydrophobicContact CG-CZ 4.07Å; E873-R939 IonicContact OE1-CZ 2.69Å; E873-R939 IonicContact OE1-NE 3.77Å; E873-R939 PolarHBondContact OE1-NE 3.32Å; E873-R939 IonicContact OE1-NH2 3.03Å; E873-R939 PolarHBondContact OE1-NH2 3.04Å; E873-V984 CarbonylContact O-C 3.58Å; E873-V984 WeakPolarHBondContact O-CA 3.24Å; E873-A985 PolarHBondContact N-O 3.31Å; E873-A985 PolarHBondContact O-N 2.88Å
874	T	93.1	Very high	89.9	Confident	86 Å²	86	58 Å²	58	53%	0.528	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.3	174.4	-55.9	0	0	0	0	110.8	R939 V984	T874-R939 PolarHBondContact O-NH2 3.37Å; T874-V984 HydrophobicContact CG2-CG2 4.46Å
875	F	94.1	Very high	90.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.5	172.3	-65.8	-98.5	0	0	0	108.8	E873 L877 V878 G935 L936 R939 S982 V983 A985	E873-F875 HydrophobicContact CB-CE2 3.85Å; E873-F875 HydrophobicContact CB-CZ 4.41Å; E873-F875 HydrophobicContact CG-CD2 4.39Å; E873-F875 HydrophobicContact CG-CE2 3.81Å; E873-F875 HydrophobicContact CG-CZ 4.07Å; F875-L877 VanDerWaalsContact C-N 3.33Å; F875-L877 PolarHBondContact O-N 3.2Å; F875-V878 HydrophobicContact CB-CG1 3.81Å; F875-V878 HydrophobicContact CG-CG1 4.41Å; F875-G935 WeakPolarHBondContact CD1-O 3.17Å; F875-L936 HydrophobicContact CD1-CB 3.6Å; F875-L936 HydrophobicContact CD2-CB 4.1Å; F875-L936 HydrophobicContact CD2-CD2 4.33Å; F875-L936 HydrophobicContact CE1-CB 3.56Å; F875-L936 HydrophobicContact CE2-CB 4.08Å; F875-L936 HydrophobicContact CG-CB 3.89Å; F875-L936 HydrophobicContact CG-CD2 4.38Å; F875-L936 HydrophobicContact CZ-CB 3.82Å; F875-R939 HydrophobicContact CD1-CG 3.91Å; F875-R939 HydrophobicContact CE1-CG 3.85Å; F875-S982 CarbonylContact O-C 3.54Å; F875-S982 VanDerWaalsContact O-CA 3.24Å; F875-S982 WeakPolarHBondContact O-CA 2.88Å; F875-V983 HydrophobicContact CB-CG2 4.1Å; F875-V983 PolarHBondContact N-O 3.3Å; F875-V983 PolarHBondContact O-N 3.26Å; F875-A985 HydrophobicContact CD2-CB 4.08Å; F875-A985 HydrophobicContact CE2-CB 3.87Å
876	E	92.8	Very high	90.5	Very high	160 Å²	160	52.9 Å²	52.9	75%	0.748	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	-35.3	-173.2	-64.5	-178.6	171.9	0	0	112.8	S982	E876-S982 VanDerWaalsContact O-CA 3.28Å; E876-S982 WeakPolarHBondContact O-CA 3.24Å; E876-S982 VanDerWaalsContact O-CB 3.25Å; E876-S982 WeakPolarHBondContact O-CB 3.44Å; E876-S982 PolarHBondContact O-N 3.03Å
877	L	94.2	Very high	90.5	Very high	62 Å²	62	56.4 Å²	56.4	33%	0.325	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	121	-179.1	-169.1	68.2	0	0	0	109.9	F875 C980 L1026	F875-L877 VanDerWaalsContact C-N 3.33Å; F875-L877 PolarHBondContact O-N 3.2Å; L877-C980 HydrophobicContact CD1-CB 4.27Å; L877-L1026 HydrophobicContact CD1-CD1 4.42Å; L877-L1026 HydrophobicContact CD2-CD1 4.28Å; L877-L1026 HydrophobicContact CD2-CD2 4.43Å
878	V	96.1	Very high	90.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	163	170.5	-67.7	0	0	0	0	109.8	F875 I880 V933 S934 L936 C980 G981 V983	F875-V878 HydrophobicContact CB-CG1 3.81Å; F875-V878 HydrophobicContact CG-CG1 4.41Å; V878-I880 HydrophobicContact CG2-CD1 4.32Å; V878-I880 HydrophobicContact CG2-CG1 3.98Å; V878-V933 HydrophobicContact CB-CG2 3.91Å; V878-V933 HydrophobicContact CG1-CG2 4.44Å; V878-V933 HydrophobicContact CG2-CG2 4.02Å; V878-S934 WeakPolarHBondContact CB-O 3.31Å; V878-L936 HydrophobicContact CB-CD2 4.44Å; V878-L936 HydrophobicContact CG1-CB 4.16Å; V878-L936 HydrophobicContact CG1-CD2 3.75Å; V878-L936 HydrophobicContact CG1-CG 4.25Å; V878-L936 HydrophobicContact CG2-CD2 4.4Å; V878-C980 VanDerWaalsContact O-CA 3.24Å; V878-C980 WeakPolarHBondContact O-CA 3.39Å; V878-G981 WeakPolarHBondContact CG2-O 3.5Å; V878-G981 PolarHBondContact N-O 3.44Å; V878-G981 PolarHBondContact O-N 3.3Å; V878-G981 VanDerWaalsContact O-N 3.13Å; V878-V983 HydrophobicContact CG1-CG2 4.3Å; V878-V983 HydrophobicContact CG2-CB 4.31Å; V878-V983 HydrophobicContact CG2-CG1 3.82Å; V878-V983 HydrophobicContact CG2-CG2 3.54Å
879	T	97.3	Very high	90.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.9	166.5	-61.4	0	0	0	0	110.1	V933 S934 H944 I945 I948 I978 C980	T879-V933 WeakPolarHBondContact O-CA 3.33Å; T879-V933 WeakPolarHBondContact O-CG2 3.14Å; T879-S934 PolarHBondContact N-O 3.14Å; T879-S934 VanDerWaalsContact N-O 3.14Å; T879-S934 PolarHBondContact O-N 3.23Å; T879-H944 PolarHBondContact OG1-ND1 2.86Å; T879-I945 HydrophobicContact CG2-CD1 3.48Å; T879-I945 VanDerWaalsContact CG2-CD1 3.48Å; T879-I945 VanDerWaalsContact OG1-CA 3.22Å; T879-I945 WeakPolarHBondContact OG1-CA 3.4Å; T879-I945 WeakPolarHBondContact OG1-CB 3.33Å; T879-I945 PolarHBondContact OG1-N 3.49Å; T879-I948 HydrophobicContact CG2-CB 3.61Å; T879-I948 HydrophobicContact CG2-CG1 3.72Å; T879-I948 HydrophobicContact CG2-CG2 3.63Å; T879-I978 HydrophobicContact CG2-CG2 3.46Å; T879-I978 VanDerWaalsContact CG2-CG2 3.46Å; T879-C980 PolarHBondContact OG1-SG 3.04Å
880	I	97	Very high	91.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.8	-178.6	-54	160.9	0	0	0	108.5	V878 F882 L931 V933 I978 N979 V983 A1001 V1002 A1005	V878-I880 HydrophobicContact CG2-CD1 4.32Å; V878-I880 HydrophobicContact CG2-CG1 3.98Å; I880-F882 HydrophobicContact CG2-CD2 3.92Å; I880-F882 HydrophobicContact CG2-CE2 3.71Å; I880-L931 HydrophobicContact CG2-CD1 3.62Å; I880-V933 HydrophobicContact CG1-CG2 4.17Å; I880-I978 WeakPolarHBondContact O-CA 3.44Å; I880-N979 PolarHBondContact N-O 3.08Å; I880-N979 PolarHBondContact O-N 3.37Å; I880-N979 VanDerWaalsContact O-N 3.15Å; I880-V983 HydrophobicContact CD1-CG1 3.62Å; I880-V983 HydrophobicContact CG1-CG1 4.46Å; I880-A1001 VanDerWaalsContact CD1-C 3.5Å; I880-A1001 HydrophobicContact CD1-CB 3.73Å; I880-V1002 HydrophobicContact CD1-CB 4.34Å; I880-V1002 HydrophobicContact CD1-CG2 3.83Å; I880-A1005 HydrophobicContact CB-CB 3.82Å; I880-A1005 HydrophobicContact CG2-CB 3.67Å
881	F	96.9	Very high	91.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.9	177.4	170.2	-86.1	0	0	0	109.6	S883 L931 C932 I948 M951 S952 F955 I976 G977	F881-S883 WeakPolarHBondContact CE1-OG 3.39Å; F881-L931 WeakPolarHBondContact O-CA 2.96Å; F881-L931 WeakPolarHBondContact O-CD1 3.32Å; F881-C932 HydrophobicContact CB-CB 4.09Å; F881-C932 HydrophobicContact CD1-CB 3.89Å; F881-C932 HydrophobicContact CG-CB 4.34Å; F881-C932 PolarHBondContact N-O 2.95Å; F881-C932 PolarHBondContact O-N 3.4Å; F881-I948 HydrophobicContact CB-CD1 3.94Å; F881-I948 HydrophobicContact CB-CG2 3.81Å; F881-I948 HydrophobicContact CD2-CG2 4.17Å; F881-I948 HydrophobicContact CG-CG2 4.48Å; F881-M951 HydrophobicContact CB-CE 3.8Å; F881-M951 HydrophobicContact CD1-CE 3.56Å; F881-M951 HydrophobicContact CD2-CE 3.43Å; F881-M951 VanDerWaalsContact CD2-CE 3.43Å; F881-M951 HydrophobicContact CE1-CE 3.86Å; F881-M951 HydrophobicContact CE2-CE 3.71Å; F881-M951 HydrophobicContact CG-CE 3.33Å; F881-M951 HydrophobicContact CZ-CE 3.93Å; F881-S952 WeakPolarHBondContact CD2-OG 3.44Å; F881-S952 WeakPolarHBondContact CE2-OG 3.4Å; F881-F955 HydrophobicContact CE1-CD2 4.3Å; F881-F955 HydrophobicContact CE1-CE2 4.04Å; F881-F955 AromaticContact CZ-CD2 3.74Å; F881-F955 HydrophobicContact CZ-CD2 3.74Å; F881-F955 AromaticContact CZ-CE2 3.94Å; F881-F955 HydrophobicContact CZ-CE2 3.94Å; F881-F955 HydrophobicContact CZ-CG 4.45Å; F881-I976 HydrophobicContact CD2-CG2 3.61Å; F881-I976 HydrophobicContact CE2-CB 4.21Å; F881-I976 HydrophobicContact CE2-CD1 3.95Å; F881-I976 HydrophobicContact CE2-CG1 3.96Å; F881-I976 HydrophobicContact CE2-CG2 3.23Å; F881-I976 HydrophobicContact CZ-CD1 4.15Å; F881-I976 HydrophobicContact CZ-CG1 4.03Å; F881-I976 HydrophobicContact CZ-CG2 4.05Å; F881-G977 WeakPolarHBondContact CA-O 3.29Å
882	F	96.1	Very high	91.5	Very high	18 Å²	18	47.2 Å²	47.2	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.8	165.1	-85.2	-99.9	0	0	0	109.3	I880 I926 Y930 L931 I976 G977 V1002 A1005 E1009	I880-F882 HydrophobicContact CG2-CD2 3.92Å; I880-F882 HydrophobicContact CG2-CE2 3.71Å; F882-I926 HydrophobicContact CD1-CD1 4.47Å; F882-I926 HydrophobicContact CE1-CD1 3.7Å; F882-I926 HydrophobicContact CZ-CD1 4.49Å; F882-Y930 WeakPolarHBondContact CA-O 3.18Å; F882-L931 HydrophobicContact CD1-CD1 4.5Å; F882-L931 HydrophobicContact CD2-CD1 3.76Å; F882-L931 HydrophobicContact CE1-CD1 4.12Å; F882-L931 HydrophobicContact CE2-CD1 3.32Å; F882-L931 HydrophobicContact CG-CD1 4.34Å; F882-L931 HydrophobicContact CZ-CD1 3.52Å; F882-L931 HydrophobicContact CZ-CD2 4.07Å; F882-L931 HydrophobicContact CZ-CG 4.28Å; F882-I976 CarbonylContact O-C 3.58Å; F882-I976 WeakPolarHBondContact O-CA 3.48Å; F882-G977 PolarHBondContact N-O 3.33Å; F882-G977 PolarHBondContact O-N 2.72Å; F882-V1002 HydrophobicContact CE2-CG1 3.83Å; F882-V1002 WeakPolarHBondContact CE2-O 3.34Å; F882-V1002 HydrophobicContact CZ-CG1 3.73Å; F882-A1005 HydrophobicContact CD2-CB 3.51Å; F882-A1005 HydrophobicContact CE2-CB 3.84Å; F882-E1009 HydrophobicContact CB-CB 3.72Å; F882-E1009 HydrophobicContact CB-CG 4.27Å
883	S	93.6	Very high	91.6	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.7	168.4	59.7	0	0	0	0	111.5	F881 G929 Y930 R975	F881-S883 WeakPolarHBondContact CE1-OG 3.39Å; S883-G929 CarbonylContact O-C 3.56Å; S883-G929 WeakPolarHBondContact O-CA 3.35Å; S883-Y930 PolarHBondContact N-O 2.92Å; S883-Y930 PolarHBondContact O-N 2.05Å; S883-Y930 WeakPolarHBondContact OG-CB 3.48Å; S883-Y930 PolarHBondContact OG-N 3.32Å; S883-Y930 VanDerWaalsContact OG-N 3.1Å; S883-R975 WeakPolarHBondContact CA-O 3.37Å
884	D	92.1	Very high	91.5	Very high	38 Å²	38	48.4 Å²	48.4	20%	0.203	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.6	175.7	-177.2	73.3	0	0	0	109.5	L974 R975 E1009	D884-L974 WeakPolarHBondContact O-CA 3.35Å; D884-L974 WeakPolarHBondContact O-CD2 3.44Å; D884-R975 PolarHBondContact N-O 2.65Å; D884-R975 PolarHBondContact O-N 3.12Å; D884-R975 IonicContact OD2-CZ 2.79Å; D884-R975 IonicContact OD2-NH1 2.89Å; D884-R975 IonicContact OD2-NH2 3.28Å; D884-R975 PolarHBondContact OD2-NH2 3.27Å; D884-E1009 HydrophobicContact CB-CG 4.12Å; D884-E1009 WeakPolarHBondContact CB-OE1 3.11Å
885	V	90.1	Very high	91.2	Very high	2 Å²	2	45 Å²	45	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.5	176.1	175.6	0	0	0	0	109.3	Q887 F888 L907 D928 I972 L974	V885-Q887 PolarHBondContact O-N 3.43Å; V885-Q887 VanDerWaalsContact O-N 3.15Å; V885-F888 HydrophobicContact CB-CB 4.02Å; V885-F888 HydrophobicContact CB-CD2 4.26Å; V885-F888 HydrophobicContact CB-CG 4.48Å; V885-F888 HydrophobicContact CG1-CB 4.07Å; V885-F888 HydrophobicContact CG1-CD2 4.08Å; V885-F888 WeakPolarHBondContact O-CB 3.38Å; V885-F888 PolarHBondContact O-N 3.31Å; V885-F888 VanDerWaalsContact O-N 3.12Å; V885-L907 HydrophobicContact CG2-CD2 3.91Å; V885-D928 WeakPolarHBondContact CA-OD2 3.36Å; V885-D928 HydrophobicContact CB-CB 4.17Å; V885-D928 WeakPolarHBondContact CB-OD2 3.4Å; V885-D928 HydrophobicContact CG2-CB 4.28Å; V885-D928 PolarHBondContact N-OD2 3.48Å; V885-I972 HydrophobicContact CG1-CG2 3.54Å; V885-I972 HydrophobicContact CG2-CG2 4.47Å; V885-L974 HydrophobicContact CB-CD2 4.42Å; V885-L974 HydrophobicContact CG2-CD2 3.63Å
886	V	89	Confident	91	Very high	29 Å²	29	48.4 Å²	48.4	18%	0.176	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	122.5	-175.3	176.5	0	0	0	0	110.4	F888 N973 R975 P1014	V886-F888 PolarHBondContact O-N 3.45Å; V886-N973 HydrophobicContact CB-CB 4.33Å; V886-N973 WeakPolarHBondContact CB-O 3.48Å; V886-N973 HydrophobicContact CG2-CB 4.22Å; V886-N973 WeakPolarHBondContact CG2-O 3.49Å; V886-N973 PolarHBondContact N-O 3.02Å; V886-R975 HydrophobicContact CG2-CG 3.76Å; V886-P1014 HydrophobicContact CG1-CB 4.2Å; V886-P1014 HydrophobicContact CG1-CG 3.9Å; V886-P1014 HydrophobicContact CG2-CB 3.8Å; V886-P1014 HydrophobicContact CG2-CG 3.91Å
887	Q	86.3	Confident	90.9	Very high	142 Å²	142	45.9 Å²	45.9	66%	0.664	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	29.1	179.1	-60.9	176.5	-13.3	0	0	113.9	V885 T889 T890 L891	V885-Q887 PolarHBondContact O-N 3.43Å; V885-Q887 VanDerWaalsContact O-N 3.15Å; Q887-T889 VanDerWaalsContact C-N 3.26Å; Q887-T889 PolarHBondContact O-N 2.97Å; Q887-T890 WeakPolarHBondContact O-CA 3.43Å; Q887-T890 WeakPolarHBondContact O-CB 3.34Å; Q887-T890 PolarHBondContact O-N 2.85Å; Q887-L891 PolarHBondContact O-N 2.9Å; Q887-L891 VanDerWaalsContact O-N 3.08Å
888	F	87.8	Confident	90.6	Very high	27 Å²	27	49.9 Å²	49.9	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-52.9	-40.6	179.8	-176.4	-103.7	0	0	0	113.6	V885 V886 T890 L891 A892 V900 L903 L904 D928	V885-F888 HydrophobicContact CB-CB 4.02Å; V885-F888 HydrophobicContact CB-CD2 4.26Å; V885-F888 HydrophobicContact CB-CG 4.48Å; V885-F888 HydrophobicContact CG1-CB 4.07Å; V885-F888 HydrophobicContact CG1-CD2 4.08Å; V885-F888 WeakPolarHBondContact O-CB 3.38Å; V885-F888 PolarHBondContact O-N 3.31Å; V885-F888 VanDerWaalsContact O-N 3.12Å; V886-F888 PolarHBondContact O-N 3.45Å; F888-T890 PolarHBondContact O-N 2.95Å; F888-L891 WeakPolarHBondContact O-CB 2.85Å; F888-L891 PolarHBondContact O-N 3.44Å; F888-L891 VanDerWaalsContact O-N 3.11Å; F888-A892 HydrophobicContact CD1-CB 4.5Å; F888-A892 HydrophobicContact CE1-CB 4.17Å; F888-A892 HydrophobicContact CZ-CB 4.39Å; F888-A892 WeakPolarHBondContact O-CB 3.24Å; F888-A892 PolarHBondContact O-N 2.82Å; F888-V900 HydrophobicContact CZ-CG1 3.96Å; F888-L903 HydrophobicContact CE2-CD2 4.35Å; F888-L904 HydrophobicContact CE2-CD2 3.75Å; F888-L904 HydrophobicContact CE2-CG 4.36Å; F888-L904 HydrophobicContact CZ-CD1 4.11Å; F888-L904 HydrophobicContact CZ-CD2 3.68Å; F888-L904 HydrophobicContact CZ-CG 4.03Å; F888-D928 HydrophobicContact CB-CB 3.98Å; F888-D928 VanDerWaalsContact CB-CG 3.46Å; F888-D928 WeakPolarHBondContact CB-OD2 3.5Å; F888-D928 HydrophobicContact CD1-CB 3.51Å; F888-D928 HydrophobicContact CD2-CB 3.77Å; F888-D928 HydrophobicContact CE1-CB 3.88Å; F888-D928 HydrophobicContact CE2-CB 4.11Å; F888-D928 HydrophobicContact CG-CB 3.45Å; F888-D928 VanDerWaalsContact CG-CB 3.45Å; F888-D928 VanDerWaalsContact CG-CG 3.49Å; F888-D928 HydrophobicContact CZ-CB 4.17Å
889	T	86.3	Confident	90.4	Very high	119 Å²	119	53 Å²	53	73%	0.73	30%	0.298	S	S	*	.	H	α-helix	trans	-58	-37.2	175.9	-43.4	0	0	0	0	112.7	Q887 S893	Q887-T889 VanDerWaalsContact C-N 3.26Å; Q887-T889 PolarHBondContact O-N 2.97Å; T889-S893 WeakPolarHBondContact O-CB 3.38Å; T889-S893 PolarHBondContact O-N 3.34Å
890	T	87.4	Confident	89.9	Confident	74 Å²	74	54.1 Å²	54.1	45%	0.454	31%	0.305	S	S	.	.	H	α-helix	trans	-71.5	-42.3	176.9	-55.4	0	0	0	0	110.4	Q887 F888 S893	Q887-T890 WeakPolarHBondContact O-CA 3.43Å; Q887-T890 WeakPolarHBondContact O-CB 3.34Å; Q887-T890 PolarHBondContact O-N 2.85Å; F888-T890 PolarHBondContact O-N 2.95Å; T890-S893 PolarHBondContact O-N 3.3Å; T890-S893 PolarHBondContact O-OG 2.97Å
891	L	85.5	Confident	89.5	Confident	19 Å²	19	58 Å²	58	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-50.2	175.5	-173.9	65.5	0	0	0	111	Q887 F888 S893 K894 C895 L903 M967 E970 I972	Q887-L891 PolarHBondContact O-N 2.9Å; Q887-L891 VanDerWaalsContact O-N 3.08Å; F888-L891 WeakPolarHBondContact O-CB 2.85Å; F888-L891 PolarHBondContact O-N 3.44Å; F888-L891 VanDerWaalsContact O-N 3.11Å; L891-S893 VanDerWaalsContact C-N 3.26Å; L891-S893 PolarHBondContact O-N 3.46Å; L891-K894 WeakPolarHBondContact O-CB 3.34Å; L891-K894 PolarHBondContact O-N 3.04Å; L891-C895 PolarHBondContact O-SG 2.88Å; L891-L903 HydrophobicContact CD2-CD2 3.6Å; L891-L903 HydrophobicContact CG-CD2 4.17Å; L891-M967 HydrophobicContact CD1-CE 3.75Å; L891-E970 HydrophobicContact CD1-CB 4.41Å; L891-I972 HydrophobicContact CD2-CD1 3.79Å; L891-I972 HydrophobicContact CD2-CG1 4.07Å
892	A	87	Confident	89	Confident	25 Å²	25	62.8 Å²	62.8	21%	0.207	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-33.6	178.1	0	0	0	0	0	112.7	F888 K894 C895 V900	F888-A892 HydrophobicContact CD1-CB 4.5Å; F888-A892 HydrophobicContact CE1-CB 4.17Å; F888-A892 HydrophobicContact CZ-CB 4.39Å; F888-A892 WeakPolarHBondContact O-CB 3.24Å; F888-A892 PolarHBondContact O-N 2.82Å; A892-K894 PolarHBondContact O-N 3.27Å; A892-C895 PolarHBondContact O-N 3.3Å; A892-C895 VanDerWaalsContact O-N 3.15Å; A892-V900 HydrophobicContact CB-CG2 4.1Å
893	S	89.8	Confident	88.6	Confident	97 Å²	97	62.1 Å²	62.1	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-66.3	-20	175.7	76.7	0	0	0	0	114.3	T889 T890 L891	T889-S893 WeakPolarHBondContact O-CB 3.38Å; T889-S893 PolarHBondContact O-N 3.34Å; T890-S893 PolarHBondContact O-N 3.3Å; T890-S893 PolarHBondContact O-OG 2.97Å; L891-S893 VanDerWaalsContact C-N 3.26Å; L891-S893 PolarHBondContact O-N 3.46Å
894	K	88.6	Confident	88.4	Confident	112 Å²	112	63.4 Å²	63.4	49%	0.487	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.8	175.9	-60.7	-178.5	-172.3	-179	0	113	L891 A892 M967 E970	L891-K894 WeakPolarHBondContact O-CB 3.34Å; L891-K894 PolarHBondContact O-N 3.04Å; A892-K894 PolarHBondContact O-N 3.27Å; K894-M967 HydrophobicContact CB-CE 3.99Å; K894-M967 HydrophobicContact CB-SD 4.08Å; K894-M967 HydrophobicContact CD-SD 4.27Å; K894-E970 IonicContact NZ-OE1 3.67Å; K894-E970 PolarHBondContact NZ-OE1 3.46Å
895	C	86.3	Confident	88.2	Confident	16 Å²	16	65.6 Å²	65.6	11%	0.108	37%	0.366	C	S	.	.	S	Bend	trans	-108.4	148	-175.5	-57	0	0	0	0	110.6	L891 A892 Q899 V900 H966 M967	L891-C895 PolarHBondContact O-SG 2.88Å; A892-C895 PolarHBondContact O-N 3.3Å; A892-C895 VanDerWaalsContact O-N 3.15Å; C895-Q899 HydrophobicContact CB-CB 4.03Å; C895-V900 HydrophobicContact CB-CG2 3.43Å; C895-V900 VanDerWaalsContact CB-CG2 3.43Å; C895-H966 PolarHBondContact SG-NE2 3.01Å; C895-M967 WeakPolarHBondContact SG-CE 3.36Å
896	T	90.9	Very high	88.1	Confident	71 Å²	71	68 Å²	68	44%	0.436	38%	0.379	S	S	.	.			trans	-68.2	156.2	162.2	61.8	0	0	0	0	110.5	L898 Q899 V900	T896-L898 PolarHBondContact O-N 3.45Å; T896-L898 VanDerWaalsContact O-N 3.16Å; T896-Q899 WeakPolarHBondContact O-CA 3.36Å; T896-Q899 WeakPolarHBondContact O-CB 3.46Å; T896-Q899 PolarHBondContact O-N 2.9Å; T896-Q899 WeakPolarHBondContact OG1-CB 3.39Å; T896-Q899 VanDerWaalsContact OG1-CD 3.28Å; T896-Q899 VanDerWaalsContact OG1-CG 3.24Å; T896-Q899 WeakPolarHBondContact OG1-CG 3.44Å; T896-Q899 PolarHBondContact OG1-N 2.75Å; T896-Q899 PolarHBondContact OG1-OE1 2.86Å; T896-V900 WeakPolarHBondContact O-CG2 3.49Å; T896-V900 PolarHBondContact O-N 3.44Å
897	P	89.9	Confident	88	Confident	107 Å²	107	66.8 Å²	66.8	70%	0.695	37%	0.371	S	S	*	.	H	α-helix	trans	-52.4	-39.1	176.7	-29	35.8	0	0	0	113.7	V900 V901	P897-V900 PolarHBondContact O-N 3.5Å; P897-V901 WeakPolarHBondContact O-CG2 3.36Å; P897-V901 PolarHBondContact O-N 2.94Å
898	L	89.4	Confident	88.2	Confident	145 Å²	145	61.8 Å²	61.8	76%	0.759	35%	0.346	S	S	*	.	H	α-helix	trans	-64.5	-41.7	175.1	-70.2	172.9	0	0	0	112.4	T896 V900 V901 Q902	T896-L898 PolarHBondContact O-N 3.45Å; T896-L898 VanDerWaalsContact O-N 3.16Å; L898-V900 VanDerWaalsContact C-N 3.34Å; L898-V901 PolarHBondContact O-N 3.09Å; L898-Q902 PolarHBondContact O-N 2.91Å
899	Q	90.4	Very high	88.3	Confident	66 Å²	66	65 Å²	65	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-34.1	175.6	-76.6	166.8	-28.5	0	0	112.5	C895 T896 L903 H966	C895-Q899 HydrophobicContact CB-CB 4.03Å; T896-Q899 WeakPolarHBondContact O-CA 3.36Å; T896-Q899 WeakPolarHBondContact O-CB 3.46Å; T896-Q899 PolarHBondContact O-N 2.9Å; T896-Q899 WeakPolarHBondContact OG1-CB 3.39Å; T896-Q899 VanDerWaalsContact OG1-CD 3.28Å; T896-Q899 VanDerWaalsContact OG1-CG 3.24Å; T896-Q899 WeakPolarHBondContact OG1-CG 3.44Å; T896-Q899 PolarHBondContact OG1-N 2.75Å; T896-Q899 PolarHBondContact OG1-OE1 2.86Å; Q899-L903 VanDerWaalsContact O-CB 3.26Å; Q899-L903 WeakPolarHBondContact O-CB 3.37Å; Q899-L903 PolarHBondContact O-N 2.79Å; Q899-H966 HydrophobicContact CG-CB 4.47Å
900	V	87.9	Confident	88.4	Confident	24 Å²	24	62.1 Å²	62.1	15%	0.145	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-45.1	172.7	178.2	0	0	0	0	110.5	F888 A892 C895 T896 P897 L898 L903 L904	F888-V900 HydrophobicContact CZ-CG1 3.96Å; A892-V900 HydrophobicContact CB-CG2 4.1Å; C895-V900 HydrophobicContact CB-CG2 3.43Å; C895-V900 VanDerWaalsContact CB-CG2 3.43Å; T896-V900 WeakPolarHBondContact O-CG2 3.49Å; T896-V900 PolarHBondContact O-N 3.44Å; P897-V900 PolarHBondContact O-N 3.5Å; L898-V900 VanDerWaalsContact C-N 3.34Å; V900-L903 PolarHBondContact O-N 2.9Å; V900-L904 HydrophobicContact CG1-CD1 4.04Å; V900-L904 HydrophobicContact CG1-CG 4.4Å; V900-L904 WeakPolarHBondContact O-CB 3.34Å; V900-L904 WeakPolarHBondContact O-CG 3.36Å; V900-L904 PolarHBondContact O-N 3.15Å
901	V	88.1	Confident	88.7	Confident	80 Å²	80	58.6 Å²	58.6	49%	0.485	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-44.6	176.6	172.2	0	0	0	0	111.1	P897 L898 L904 N905	P897-V901 WeakPolarHBondContact O-CG2 3.36Å; P897-V901 PolarHBondContact O-N 2.94Å; L898-V901 PolarHBondContact O-N 3.09Å; V901-L904 PolarHBondContact O-N 3.07Å; V901-N905 WeakPolarHBondContact O-CB 3.33Å; V901-N905 PolarHBondContact O-N 3.21Å; V901-N905 PolarHBondContact O-ND2 2.68Å
902	Q	87.2	Confident	88.9	Confident	101 Å²	101	60.2 Å²	60.2	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-60.1	-48.6	176.2	-173.2	68.8	32.1	0	0	111.4	L898 L904 N905 D906	L898-Q902 PolarHBondContact O-N 2.91Å; Q902-L904 VanDerWaalsContact C-N 3.34Å; Q902-L904 PolarHBondContact O-N 3.11Å; Q902-N905 PolarHBondContact O-N 3.39Å; Q902-D906 PolarHBondContact NE2-OD1 2.98Å; Q902-D906 VanDerWaalsContact NE2-OD1 3.14Å; Q902-D906 PolarHBondContact O-N 3.09Å
903	L	87.4	Confident	89.1	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-56.9	-47.1	177.6	168.3	63.4	0	0	0	111.9	F888 L891 Q899 V900 D906 L907 F962 V964 I972	F888-L903 HydrophobicContact CE2-CD2 4.35Å; L891-L903 HydrophobicContact CD2-CD2 3.6Å; L891-L903 HydrophobicContact CG-CD2 4.17Å; Q899-L903 VanDerWaalsContact O-CB 3.26Å; Q899-L903 WeakPolarHBondContact O-CB 3.37Å; Q899-L903 PolarHBondContact O-N 2.79Å; V900-L903 PolarHBondContact O-N 2.9Å; L903-D906 PolarHBondContact O-N 3.24Å; L903-L907 VanDerWaalsContact O-CB 3.3Å; L903-L907 WeakPolarHBondContact O-CB 3.48Å; L903-L907 PolarHBondContact O-N 3.03Å; L903-F962 HydrophobicContact CD1-CE1 3.78Å; L903-F962 HydrophobicContact CD1-CZ 3.86Å; L903-V964 HydrophobicContact CD1-CB 4.42Å; L903-V964 HydrophobicContact CD1-CG1 4.09Å; L903-V964 HydrophobicContact CD1-CG2 3.84Å; L903-I972 HydrophobicContact CD1-CD1 3.76Å; L903-I972 HydrophobicContact CD2-CD1 4.49Å
904	L	88.4	Confident	89.2	Confident	32 Å²	32	57.3 Å²	57.3	17%	0.168	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-43	178.9	-73	175.6	0	0	0	111.2	F888 V900 V901 Q902 D906 L907 Y908	F888-L904 HydrophobicContact CE2-CD2 3.75Å; F888-L904 HydrophobicContact CE2-CG 4.36Å; F888-L904 HydrophobicContact CZ-CD1 4.11Å; F888-L904 HydrophobicContact CZ-CD2 3.68Å; F888-L904 HydrophobicContact CZ-CG 4.03Å; V900-L904 HydrophobicContact CG1-CD1 4.04Å; V900-L904 HydrophobicContact CG1-CG 4.4Å; V900-L904 WeakPolarHBondContact O-CB 3.34Å; V900-L904 WeakPolarHBondContact O-CG 3.36Å; V900-L904 PolarHBondContact O-N 3.15Å; V901-L904 PolarHBondContact O-N 3.07Å; Q902-L904 VanDerWaalsContact C-N 3.34Å; Q902-L904 PolarHBondContact O-N 3.11Å; L904-D906 PolarHBondContact O-N 3.3Å; L904-L907 PolarHBondContact O-N 2.96Å; L904-Y908 HydrophobicContact CB-CD2 4.39Å; L904-Y908 HydrophobicContact CB-CE2 4.12Å; L904-Y908 HydrophobicContact CD2-CE1 4.16Å; L904-Y908 WeakPolarHBondContact O-CB 3.36Å; L904-Y908 WeakPolarHBondContact O-CD1 3.43Å; L904-Y908 WeakPolarHBondContact O-CD2 3.35Å; L904-Y908 PolarHBondContact O-N 3.32Å
905	N	87.6	Confident	89.4	Confident	85 Å²	85	52.5 Å²	52.5	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-43.7	176.4	-77	-20.2	0	0	0	112.1	V901 Q902 Y908 T909	V901-N905 WeakPolarHBondContact O-CB 3.33Å; V901-N905 PolarHBondContact O-N 3.21Å; V901-N905 PolarHBondContact O-ND2 2.68Å; Q902-N905 PolarHBondContact O-N 3.39Å; N905-Y908 PolarHBondContact O-N 3Å; N905-T909 VanDerWaalsContact O-CB 3.29Å; N905-T909 WeakPolarHBondContact O-CB 3.36Å; N905-T909 PolarHBondContact O-N 3Å; N905-T909 PolarHBondContact O-OG1 2.66Å
906	D	87.9	Confident	89.5	Confident	53 Å²	53	59.9 Å²	59.9	28%	0.283	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-44.9	178.5	-65.3	-17.5	0	0	0	110.6	Q902 L903 L904 I910 F962	Q902-D906 PolarHBondContact NE2-OD1 2.98Å; Q902-D906 VanDerWaalsContact NE2-OD1 3.14Å; Q902-D906 PolarHBondContact O-N 3.09Å; L903-D906 PolarHBondContact O-N 3.24Å; L904-D906 PolarHBondContact O-N 3.3Å; D906-I910 WeakPolarHBondContact O-CG1 3.28Å; D906-I910 PolarHBondContact O-N 3.35Å; D906-F962 HydrophobicContact CB-CE2 4.1Å; D906-F962 HydrophobicContact CB-CZ 4.25Å
907	L	88.2	Confident	89.5	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-47.6	177.4	-171.3	69.9	0	0	0	111.6	V885 L903 L904 T909 I910 F911 L959 F962	V885-L907 HydrophobicContact CG2-CD2 3.91Å; L903-L907 VanDerWaalsContact O-CB 3.3Å; L903-L907 WeakPolarHBondContact O-CB 3.48Å; L903-L907 PolarHBondContact O-N 3.03Å; L904-L907 PolarHBondContact O-N 2.96Å; L907-T909 VanDerWaalsContact C-N 3.34Å; L907-T909 PolarHBondContact O-N 2.79Å; L907-I910 PolarHBondContact O-N 3.11Å; L907-F911 HydrophobicContact CD1-CE1 3.93Å; L907-F911 HydrophobicContact CD1-CE2 3.76Å; L907-F911 HydrophobicContact CD1-CZ 3.4Å; L907-F911 HydrophobicContact CD2-CE2 3.9Å; L907-F911 HydrophobicContact CD2-CZ 4.34Å; L907-F911 HydrophobicContact CG-CD2 4.07Å; L907-F911 HydrophobicContact CG-CE1 4.47Å; L907-F911 HydrophobicContact CG-CE2 3.58Å; L907-F911 HydrophobicContact CG-CZ 3.8Å; L907-F911 WeakPolarHBondContact O-CG 3.06Å; L907-F911 PolarHBondContact O-N 3.43Å; L907-L959 HydrophobicContact CD1-CD2 3.82Å; L907-F962 HydrophobicContact CB-CZ 4.25Å; L907-F962 HydrophobicContact CD1-CD1 4.48Å; L907-F962 HydrophobicContact CD1-CE1 4.28Å; L907-F962 HydrophobicContact CD1-CE2 4.43Å; L907-F962 HydrophobicContact CD1-CZ 4.23Å
908	Y	89.6	Confident	89.6	Confident	36 Å²	36	59.9 Å²	59.9	14%	0.141	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-35.8	-178.7	-68.5	-10	0	0	0	112	L904 N905 I910 F911 D912 T925 G927 Y930	L904-Y908 HydrophobicContact CB-CD2 4.39Å; L904-Y908 HydrophobicContact CB-CE2 4.12Å; L904-Y908 HydrophobicContact CD2-CE1 4.16Å; L904-Y908 WeakPolarHBondContact O-CB 3.36Å; L904-Y908 WeakPolarHBondContact O-CD1 3.43Å; L904-Y908 WeakPolarHBondContact O-CD2 3.35Å; L904-Y908 PolarHBondContact O-N 3.32Å; N905-Y908 PolarHBondContact O-N 3Å; Y908-I910 VanDerWaalsContact C-N 3.34Å; Y908-I910 PolarHBondContact O-N 3.41Å; Y908-F911 PolarHBondContact O-N 3.45Å; Y908-D912 WeakPolarHBondContact O-CB 3.3Å; Y908-D912 PolarHBondContact O-N 2.86Å; Y908-T925 HydrophobicContact CE1-CG2 4.4Å; Y908-T925 HydrophobicContact CE2-CG2 4.43Å; Y908-G927 PolarHBondContact OH-O 3.41Å; Y908-Y930 WeakPolarHBondContact CA-OH 3.46Å; Y908-Y930 VanDerWaalsContact CB-OH 3.27Å; Y908-Y930 WeakPolarHBondContact CB-OH 3.26Å; Y908-Y930 AromaticContact CD1-CE2 3.34Å; Y908-Y930 HydrophobicContact CD1-CE2 3.34Å; Y908-Y930 AromaticContact CD1-CZ 3.7Å; Y908-Y930 VanDerWaalsContact CD1-OH 3.23Å; Y908-Y930 WeakPolarHBondContact CD1-OH 3.34Å; Y908-Y930 HydrophobicContact CE1-CD2 4.35Å; Y908-Y930 AromaticContact CE1-CE2 3.46Å; Y908-Y930 HydrophobicContact CE1-CE2 3.46Å; Y908-Y930 VanDerWaalsContact CE1-CE2 3.46Å; Y908-Y930 HydrophobicContact CG-CE2 4.28Å; Y908-Y930 PolarHBondContact O-OH 3.3Å
909	T	89.5	Confident	89.7	Confident	96 Å²	96	56.2 Å²	56.2	59%	0.589	29%	0.292	S	S	*	.	H	α-helix	trans	-61.3	-43.5	175.2	-60.1	0	0	0	0	111.1	N905 L907 S913	N905-T909 VanDerWaalsContact O-CB 3.29Å; N905-T909 WeakPolarHBondContact O-CB 3.36Å; N905-T909 PolarHBondContact O-N 3Å; N905-T909 PolarHBondContact O-OG1 2.66Å; L907-T909 VanDerWaalsContact C-N 3.34Å; L907-T909 PolarHBondContact O-N 2.79Å; T909-S913 WeakPolarHBondContact O-CB 3.1Å; T909-S913 PolarHBondContact O-N 2.99Å; T909-S913 VanDerWaalsContact O-N 3.13Å
910	I	90	Very high	89.8	Confident	57 Å²	57	53.9 Å²	53.9	29%	0.292	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-47.9	177.3	-65.5	167.5	0	0	0	110.1	D906 L907 Y908 S913 I914 F962	D906-I910 WeakPolarHBondContact O-CG1 3.28Å; D906-I910 PolarHBondContact O-N 3.35Å; L907-I910 PolarHBondContact O-N 3.11Å; Y908-I910 VanDerWaalsContact C-N 3.34Å; Y908-I910 PolarHBondContact O-N 3.41Å; I910-S913 PolarHBondContact O-N 2.94Å; I910-S913 PolarHBondContact O-OG 3.16Å; I910-I914 HydrophobicContact CG2-CD1 4.13Å; I910-I914 WeakPolarHBondContact O-CG1 3.36Å; I910-I914 PolarHBondContact O-N 3.33Å; I910-F962 HydrophobicContact CD1-CD2 3.42Å; I910-F962 VanDerWaalsContact CD1-CD2 3.42Å; I910-F962 HydrophobicContact CD1-CE2 3.75Å
911	F	92.1	Very high	89.9	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-42.8	-178.4	-68.9	-6.4	0	0	0	112.8	L907 Y908 S913 I914 I915 Y930 F955 L959 L974	L907-F911 HydrophobicContact CD1-CE1 3.93Å; L907-F911 HydrophobicContact CD1-CE2 3.76Å; L907-F911 HydrophobicContact CD1-CZ 3.4Å; L907-F911 HydrophobicContact CD2-CE2 3.9Å; L907-F911 HydrophobicContact CD2-CZ 4.34Å; L907-F911 HydrophobicContact CG-CD2 4.07Å; L907-F911 HydrophobicContact CG-CE1 4.47Å; L907-F911 HydrophobicContact CG-CE2 3.58Å; L907-F911 HydrophobicContact CG-CZ 3.8Å; L907-F911 WeakPolarHBondContact O-CG 3.06Å; L907-F911 PolarHBondContact O-N 3.43Å; Y908-F911 PolarHBondContact O-N 3.45Å; F911-S913 VanDerWaalsContact C-N 3.26Å; F911-S913 PolarHBondContact O-N 3.27Å; F911-I914 PolarHBondContact O-N 3.4Å; F911-I914 VanDerWaalsContact O-N 3.07Å; F911-I915 VanDerWaalsContact O-CG1 3.3Å; F911-I915 WeakPolarHBondContact O-CG1 3.35Å; F911-I915 PolarHBondContact O-N 2.95Å; F911-Y930 HydrophobicContact CB-CE1 4.31Å; F911-Y930 HydrophobicContact CB-CE2 4.18Å; F911-Y930 AromaticContact CD2-CD2 3.94Å; F911-Y930 HydrophobicContact CD2-CD2 3.94Å; F911-Y930 AromaticContact CD2-CE2 3.61Å; F911-Y930 HydrophobicContact CD2-CE2 3.61Å; F911-Y930 HydrophobicContact CG-CE2 4.42Å; F911-F955 HydrophobicContact CB-CE1 4.17Å; F911-F955 HydrophobicContact CB-CE2 3.94Å; F911-F955 HydrophobicContact CB-CZ 3.63Å; F911-F955 HydrophobicContact CD1-CD1 4.34Å; F911-F955 HydrophobicContact CD1-CD2 4.09Å; F911-F955 HydrophobicContact CD1-CE1 4.4Å; F911-F955 HydrophobicContact CD1-CE2 4.14Å; F911-F955 HydrophobicContact CD1-CG 4.2Å; F911-F955 HydrophobicContact CD1-CZ 4.3Å; F911-F955 HydrophobicContact CD2-CD2 4.15Å; F911-F955 AromaticContact CD2-CE2 3.78Å; F911-F955 HydrophobicContact CD2-CE2 3.78Å; F911-F955 HydrophobicContact CD2-CZ 4.35Å; F911-F955 HydrophobicContact CE1-CD2 4.21Å; F911-F955 HydrophobicContact CE1-CG 4.32Å; F911-F955 HydrophobicContact CE2-CD2 4.26Å; F911-F955 HydrophobicContact CE2-CE2 4.31Å; F911-F955 HydrophobicContact CG-CD2 4.07Å; F911-F955 HydrophobicContact CG-CE1 4.37Å; F911-F955 AromaticContact CG-CE2 3.69Å; F911-F955 HydrophobicContact CG-CE2 3.69Å; F911-F955 AromaticContact CG-CZ 3.86Å; F911-F955 HydrophobicContact CG-CZ 3.86Å; F911-F955 HydrophobicContact CZ-CD2 4.3Å; F911-L959 HydrophobicContact CE1-CD2 4.31Å; F911-L959 HydrophobicContact CE1-CG 4.41Å; F911-L959 HydrophobicContact CZ-CD1 4.35Å; F911-L959 HydrophobicContact CZ-CD2 4.1Å; F911-L959 HydrophobicContact CZ-CG 4.36Å; F911-L974 HydrophobicContact CE1-CD1 4.45Å; F911-L974 HydrophobicContact CE2-CD1 4.07Å; F911-L974 HydrophobicContact CE2-CD2 4.44Å; F911-L974 HydrophobicContact CZ-CD1 3.66Å; F911-L974 HydrophobicContact CZ-CG 4.43Å
912	D	90.4	Very high	90	Very high	52 Å²	52	53.7 Å²	53.7	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-37.3	177.1	-69.6	-1	0	0	0	110.4	Y908 I914 I915 E916 K922 Y930	Y908-D912 WeakPolarHBondContact O-CB 3.3Å; Y908-D912 PolarHBondContact O-N 2.86Å; D912-I914 VanDerWaalsContact C-N 3.34Å; D912-I914 PolarHBondContact O-N 2.91Å; D912-I915 PolarHBondContact O-N 3Å; D912-E916 WeakPolarHBondContact O-CG 3.5Å; D912-E916 PolarHBondContact O-N 2.85Å; D912-K922 IonicContact OD1-NZ 3.95Å; D912-K922 PolarHBondContact OD1-NZ 2.85Å; D912-K922 IonicContact OD2-NZ 2.7Å; D912-K922 PolarHBondContact OD2-NZ 2.81Å; D912-Y930 VanDerWaalsContact OD1-CE1 3.24Å; D912-Y930 WeakPolarHBondContact OD1-CE1 3.2Å; D912-Y930 PolarHBondContact OD1-OH 3.14Å
913	S	91.5	Very high	90.2	Very high	49 Å²	49	49.8 Å²	49.8	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-33.3	173.8	82.8	0	0	0	0	113.8	T909 I910 F911 Q917	T909-S913 WeakPolarHBondContact O-CB 3.1Å; T909-S913 PolarHBondContact O-N 2.99Å; T909-S913 VanDerWaalsContact O-N 3.13Å; I910-S913 PolarHBondContact O-N 2.94Å; I910-S913 PolarHBondContact O-OG 3.16Å; F911-S913 VanDerWaalsContact C-N 3.26Å; F911-S913 PolarHBondContact O-N 3.27Å; S913-Q917 VanDerWaalsContact O-CG 3.29Å; S913-Q917 WeakPolarHBondContact O-CG 3.09Å; S913-Q917 PolarHBondContact O-NE2 3.47Å; S913-Q917 VanDerWaalsContact O-NE2 3.11Å
914	I	92.7	Very high	90.1	Very high	13 Å²	13	53 Å²	53	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-76.4	-36.7	176.2	-63.6	165.5	0	0	0	110.3	I910 F911 D912 Q917 N918 M951 A954 F955	I910-I914 HydrophobicContact CG2-CD1 4.13Å; I910-I914 WeakPolarHBondContact O-CG1 3.36Å; I910-I914 PolarHBondContact O-N 3.33Å; F911-I914 PolarHBondContact O-N 3.4Å; F911-I914 VanDerWaalsContact O-N 3.07Å; D912-I914 VanDerWaalsContact C-N 3.34Å; D912-I914 PolarHBondContact O-N 2.91Å; I914-Q917 PolarHBondContact O-N 2.75Å; I914-N918 PolarHBondContact O-ND2 3.03Å; I914-M951 HydrophobicContact CG2-CG 4.19Å; I914-A954 HydrophobicContact CD1-CB 4.43Å; I914-A954 HydrophobicContact CG2-CB 3.61Å; I914-F955 HydrophobicContact CB-CD1 4.11Å; I914-F955 HydrophobicContact CB-CE1 3.82Å; I914-F955 HydrophobicContact CD1-CD1 3.98Å; I914-F955 HydrophobicContact CD1-CE1 4.37Å; I914-F955 HydrophobicContact CG2-CD1 3.75Å; I914-F955 HydrophobicContact CG2-CE1 3.74Å
915	I	92.3	Very high	89.9	Confident	10 Å²	10	54.2 Å²	54.2	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-47.8	174.5	-67.8	163.9	0	0	0	109.6	F911 D912 Q917 N918 V920 K922 Y930 M951 F955	F911-I915 VanDerWaalsContact O-CG1 3.3Å; F911-I915 WeakPolarHBondContact O-CG1 3.35Å; F911-I915 PolarHBondContact O-N 2.95Å; D912-I915 PolarHBondContact O-N 3Å; I915-Q917 PolarHBondContact O-N 3.48Å; I915-Q917 VanDerWaalsContact O-N 3.12Å; I915-N918 PolarHBondContact O-N 2.87Å; I915-V920 HydrophobicContact CG2-CB 4.31Å; I915-V920 HydrophobicContact CG2-CG1 4.36Å; I915-V920 WeakPolarHBondContact CG2-O 3.48Å; I915-K922 HydrophobicContact CD1-CB 4.29Å; I915-K922 HydrophobicContact CD1-CD 4.35Å; I915-K922 HydrophobicContact CD1-CG 4.41Å; I915-K922 HydrophobicContact CG2-CB 4.42Å; I915-Y930 HydrophobicContact CD1-CD1 3.67Å; I915-Y930 HydrophobicContact CD1-CE1 3.56Å; I915-M951 HydrophobicContact CG1-SD 3.83Å; I915-F955 HydrophobicContact CD1-CZ 4.03Å; I915-F955 HydrophobicContact CG1-CE1 4.16Å; I915-F955 HydrophobicContact CG1-CZ 3.89Å
916	E	88.6	Confident	89.3	Confident	172 Å²	172	54 Å²	54	80%	0.804	28%	0.277	S	S	*	.	H	α-helix	trans	-59.3	-23.8	178.1	-76.2	-177.1	177.1	0	0	113.9	D912 N918	D912-E916 WeakPolarHBondContact O-CG 3.5Å; D912-E916 PolarHBondContact O-N 2.85Å; E916-N918 VanDerWaalsContact C-N 3.34Å
917	Q	90.9	Very high	88.6	Confident	148 Å²	148	54.3 Å²	54.3	69%	0.692	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-11.3	177.6	-70.1	168.6	36.2	0	0	113.8	S913 I914 I915	S913-Q917 VanDerWaalsContact O-CG 3.29Å; S913-Q917 WeakPolarHBondContact O-CG 3.09Å; S913-Q917 PolarHBondContact O-NE2 3.47Å; S913-Q917 VanDerWaalsContact O-NE2 3.11Å; I914-Q917 PolarHBondContact O-N 2.75Å; I915-Q917 PolarHBondContact O-N 3.48Å; I915-Q917 VanDerWaalsContact O-N 3.12Å
918	N	90.5	Very high	88.2	Confident	30 Å²	30	55.2 Å²	55.2	16%	0.16	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	155.2	-178.7	-66.5	-83.8	0	0	0	109.7	I914 I915 E916 V920 H947	I914-N918 PolarHBondContact O-ND2 3.03Å; I915-N918 PolarHBondContact O-N 2.87Å; E916-N918 VanDerWaalsContact C-N 3.34Å; N918-V920 HydrophobicContact CB-CB 4.47Å; N918-V920 HydrophobicContact CB-CG2 3.74Å; N918-V920 PolarHBondContact O-N 2.8Å; N918-H947 HydrophobicContact CB-CB 4.48Å
919	D	91.3	Very high	87.9	Confident	67 Å²	67	53.6 Å²	53.6	36%	0.358	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	70.2	174.4	-175.4	26.6	0	0	0	109.8	S934 N940 H947	D919-S934 VanDerWaalsContact O-CB 3.3Å; D919-S934 WeakPolarHBondContact O-CB 3.32Å; D919-S934 PolarHBondContact O-OG 3.06Å; D919-N940 WeakPolarHBondContact OD2-CB 3.41Å; D919-N940 PolarHBondContact OD2-ND2 2.82Å; D919-H947 PolarHBondContact N-ND1 2.84Å
920	V	92.5	Very high	88	Confident	18 Å²	18	49.1 Å²	49.1	11%	0.109	27%	0.265	C	S	.	.			trans	-133.2	131.5	-173.1	179.8	0	0	0	0	109.3	I915 N918 C932 V933 H947 I948 M951	I915-V920 HydrophobicContact CG2-CB 4.31Å; I915-V920 HydrophobicContact CG2-CG1 4.36Å; I915-V920 WeakPolarHBondContact CG2-O 3.48Å; N918-V920 HydrophobicContact CB-CB 4.47Å; N918-V920 HydrophobicContact CB-CG2 3.74Å; N918-V920 PolarHBondContact O-N 2.8Å; V920-C932 HydrophobicContact CG1-CB 3.61Å; V920-V933 WeakPolarHBondContact CA-O 3.26Å; V920-V933 WeakPolarHBondContact CG1-O 3.4Å; V920-H947 HydrophobicContact CG2-CB 3.98Å; V920-I948 HydrophobicContact CG1-CD1 3.8Å; V920-I948 HydrophobicContact CG2-CD1 3.89Å; V920-M951 HydrophobicContact CB-SD 4.23Å; V920-M951 HydrophobicContact CG1-CE 4.43Å; V920-M951 HydrophobicContact CG1-SD 3.7Å; V920-M951 HydrophobicContact CG2-SD 4.13Å
921	Y	91	Very high	88.2	Confident	40 Å²	40	46.6 Å²	46.6	16%	0.157	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.1	172.3	-179.8	-109.3	0	0	0	110.6	P857 V923 C932 V933 L936 Y995	P857-Y921 HydrophobicContact CB-CE2 4.34Å; P857-Y921 WeakPolarHBondContact CD-OH 3.35Å; P857-Y921 HydrophobicContact CG-CD2 4.11Å; P857-Y921 HydrophobicContact CG-CE1 4.43Å; P857-Y921 HydrophobicContact CG-CE2 3.49Å; P857-Y921 VanDerWaalsContact CG-CE2 3.49Å; Y921-V923 HydrophobicContact CD1-CG2 3.95Å; Y921-V923 HydrophobicContact CE1-CB 4.42Å; Y921-V923 HydrophobicContact CE1-CG2 4.2Å; Y921-V923 PolarHBondContact O-N 2.94Å; Y921-C932 WeakPolarHBondContact O-CA 3.3Å; Y921-V933 HydrophobicContact CD1-CG1 4.23Å; Y921-V933 PolarHBondContact N-O 2.94Å; Y921-V933 PolarHBondContact O-N 3.11Å; Y921-L936 HydrophobicContact CD1-CD1 4.44Å; Y921-Y995 HydrophobicContact CD1-CD1 4.27Å; Y921-Y995 AromaticContact CE1-CD1 3.73Å; Y921-Y995 HydrophobicContact CE1-CD1 3.73Å; Y921-Y995 HydrophobicContact CE1-CG 4.5Å
922	K	91.1	Very high	88.3	Confident	59 Å²	59	46.6 Å²	46.6	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109.1	169.8	-179.7	-177.7	178.1	172.7	0	108.5	D912 I915 Y930	D912-K922 IonicContact OD1-NZ 3.95Å; D912-K922 PolarHBondContact OD1-NZ 2.85Å; D912-K922 IonicContact OD2-NZ 2.7Å; D912-K922 PolarHBondContact OD2-NZ 2.81Å; I915-K922 HydrophobicContact CD1-CB 4.29Å; I915-K922 HydrophobicContact CD1-CD 4.35Å; I915-K922 HydrophobicContact CD1-CG 4.41Å; I915-K922 HydrophobicContact CG2-CB 4.42Å; K922-Y930 HydrophobicContact CD-CD1 4.27Å; K922-Y930 HydrophobicContact CD-CE1 3.75Å; K922-Y930 HydrophobicContact CG-CD1 4.2Å; K922-Y930 HydrophobicContact CG-CE1 4.19Å; K922-Y930 PolarHBondContact NZ-OH 2.82Å
923	V	89.5	Confident	88.5	Confident	20 Å²	20	44.1 Å²	44.1	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-55.4	-177.1	-177.2	0	0	0	0	109.8	Y921 L931 V933 L997	Y921-V923 HydrophobicContact CD1-CG2 3.95Å; Y921-V923 HydrophobicContact CE1-CB 4.42Å; Y921-V923 HydrophobicContact CE1-CG2 4.2Å; Y921-V923 PolarHBondContact O-N 2.94Å; V923-L931 HydrophobicContact CB-CB 4.38Å; V923-L931 HydrophobicContact CB-CD2 4.05Å; V923-L931 HydrophobicContact CB-CG 3.85Å; V923-L931 WeakPolarHBondContact CB-O 3.25Å; V923-L931 HydrophobicContact CG1-CD2 3.97Å; V923-L931 HydrophobicContact CG1-CG 4.34Å; V923-L931 HydrophobicContact CG2-CD2 4.49Å; V923-L931 HydrophobicContact CG2-CG 4.08Å; V923-L931 PolarHBondContact N-O 3.42Å; V923-V933 HydrophobicContact CG2-CB 4.34Å; V923-V933 HydrophobicContact CG2-CG1 3.69Å; V923-L997 HydrophobicContact CG1-CG 4.13Å; V923-L997 HydrophobicContact CG2-CD1 3.64Å; V923-L997 HydrophobicContact CG2-CG 3.97Å
924	E	87.3	Confident	88.7	Confident	71 Å²	71	41.8 Å²	41.8	33%	0.332	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	165.3	178.9	59.4	-174.8	169.6	0	0	110.5	I926 L931	E924-I926 HydrophobicContact CG-CD1 4.4Å; E924-I926 HydrophobicContact CG-CG1 3.94Å; E924-L931 HydrophobicContact CG-CB 4.22Å; E924-L931 HydrophobicContact CG-CD2 4.2Å; E924-L931 PolarHBondContact O-N 3.2Å
925	T	83.7	Confident	88.7	Confident	58 Å²	58	41.3 Å²	41.3	36%	0.356	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133	162.8	52.7	0	0	0	0	108.7	Y908 G929 Y930	Y908-T925 HydrophobicContact CE1-CG2 4.4Å; Y908-T925 HydrophobicContact CE2-CG2 4.43Å; T925-G929 CarbonylContact C-O 3.53Å; T925-G929 VanDerWaalsContact CA-O 3.27Å; T925-G929 WeakPolarHBondContact CA-O 3.41Å; T925-Y930 HydrophobicContact CG2-CD1 4.47Å; T925-Y930 HydrophobicContact CG2-CD2 4.35Å; T925-Y930 HydrophobicContact CG2-CE1 4.28Å; T925-Y930 HydrophobicContact CG2-CE2 4.11Å
926	I	74.8	Confident	88.6	Confident	80 Å²	80	41 Å²	41	41%	0.41	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	97.1	179.6	-56.9	174.3	0	0	0	107	F882 E924 D928 G929 L931	F882-I926 HydrophobicContact CD1-CD1 4.47Å; F882-I926 HydrophobicContact CE1-CD1 3.7Å; F882-I926 HydrophobicContact CZ-CD1 4.49Å; E924-I926 HydrophobicContact CG-CD1 4.4Å; E924-I926 HydrophobicContact CG-CG1 3.94Å; I926-D928 PolarHBondContact O-N 3.28Å; I926-G929 PolarHBondContact N-O 2.85Å; I926-G929 PolarHBondContact O-N 3.06Å; I926-L931 HydrophobicContact CD1-CB 4.13Å; I926-L931 HydrophobicContact CD1-CD2 4.32Å
927	G	72.9	Confident	88.5	Confident	61 Å²	61	34 Å²	34	63%	0.629	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	-120.3	-169.4	0	0	0	0	0	110.4	Y908	Y908-G927 PolarHBondContact OH-O 3.41Å
928	D	80.6	Confident	88.3	Confident	22 Å²	22	31.9 Å²	31.9	12%	0.118	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.4	175	51.9	-66.1	0	0	0	114	V885 F888 I926	V885-D928 WeakPolarHBondContact CA-OD2 3.36Å; V885-D928 HydrophobicContact CB-CB 4.17Å; V885-D928 WeakPolarHBondContact CB-OD2 3.4Å; V885-D928 HydrophobicContact CG2-CB 4.28Å; V885-D928 PolarHBondContact N-OD2 3.48Å; F888-D928 HydrophobicContact CB-CB 3.98Å; F888-D928 VanDerWaalsContact CB-CG 3.46Å; F888-D928 WeakPolarHBondContact CB-OD2 3.5Å; F888-D928 HydrophobicContact CD1-CB 3.51Å; F888-D928 HydrophobicContact CD2-CB 3.77Å; F888-D928 HydrophobicContact CE1-CB 3.88Å; F888-D928 HydrophobicContact CE2-CB 4.11Å; F888-D928 HydrophobicContact CG-CB 3.45Å; F888-D928 VanDerWaalsContact CG-CB 3.45Å; F888-D928 VanDerWaalsContact CG-CG 3.49Å; F888-D928 HydrophobicContact CZ-CB 4.17Å; I926-D928 PolarHBondContact O-N 3.28Å
929	G	83.6	Confident	88.3	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	163.2	-178.1	0	0	0	0	0	115.4	S883 T925 I926	S883-G929 CarbonylContact O-C 3.56Å; S883-G929 WeakPolarHBondContact O-CA 3.35Å; T925-G929 CarbonylContact C-O 3.53Å; T925-G929 VanDerWaalsContact CA-O 3.27Å; T925-G929 WeakPolarHBondContact CA-O 3.41Å; I926-G929 PolarHBondContact N-O 2.85Å; I926-G929 PolarHBondContact O-N 3.06Å
930	Y	90.3	Very high	88.4	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.5	173.2	-86	-112.2	0	0	0	112.2	F882 S883 Y908 F911 D912 I915 K922 T925	F882-Y930 WeakPolarHBondContact CA-O 3.18Å; S883-Y930 PolarHBondContact N-O 2.92Å; S883-Y930 PolarHBondContact O-N 2.05Å; S883-Y930 WeakPolarHBondContact OG-CB 3.48Å; S883-Y930 PolarHBondContact OG-N 3.32Å; S883-Y930 VanDerWaalsContact OG-N 3.1Å; Y908-Y930 WeakPolarHBondContact CA-OH 3.46Å; Y908-Y930 VanDerWaalsContact CB-OH 3.27Å; Y908-Y930 WeakPolarHBondContact CB-OH 3.26Å; Y908-Y930 AromaticContact CD1-CE2 3.34Å; Y908-Y930 HydrophobicContact CD1-CE2 3.34Å; Y908-Y930 AromaticContact CD1-CZ 3.7Å; Y908-Y930 VanDerWaalsContact CD1-OH 3.23Å; Y908-Y930 WeakPolarHBondContact CD1-OH 3.34Å; Y908-Y930 HydrophobicContact CE1-CD2 4.35Å; Y908-Y930 AromaticContact CE1-CE2 3.46Å; Y908-Y930 HydrophobicContact CE1-CE2 3.46Å; Y908-Y930 VanDerWaalsContact CE1-CE2 3.46Å; Y908-Y930 HydrophobicContact CG-CE2 4.28Å; Y908-Y930 PolarHBondContact O-OH 3.3Å; F911-Y930 HydrophobicContact CB-CE1 4.31Å; F911-Y930 HydrophobicContact CB-CE2 4.18Å; F911-Y930 AromaticContact CD2-CD2 3.94Å; F911-Y930 HydrophobicContact CD2-CD2 3.94Å; F911-Y930 AromaticContact CD2-CE2 3.61Å; F911-Y930 HydrophobicContact CD2-CE2 3.61Å; F911-Y930 HydrophobicContact CG-CE2 4.42Å; D912-Y930 VanDerWaalsContact OD1-CE1 3.24Å; D912-Y930 WeakPolarHBondContact OD1-CE1 3.2Å; D912-Y930 PolarHBondContact OD1-OH 3.14Å; I915-Y930 HydrophobicContact CD1-CD1 3.67Å; I915-Y930 HydrophobicContact CD1-CE1 3.56Å; K922-Y930 HydrophobicContact CD-CD1 4.27Å; K922-Y930 HydrophobicContact CD-CE1 3.75Å; K922-Y930 HydrophobicContact CG-CD1 4.2Å; K922-Y930 HydrophobicContact CG-CE1 4.19Å; K922-Y930 PolarHBondContact NZ-OH 2.82Å; T925-Y930 HydrophobicContact CG2-CD1 4.47Å; T925-Y930 HydrophobicContact CG2-CD2 4.35Å; T925-Y930 HydrophobicContact CG2-CE1 4.28Å; T925-Y930 HydrophobicContact CG2-CE2 4.11Å
931	L	93.6	Very high	88.4	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.8	161.5	176.5	54.6	0	0	0	109.4	I880 F881 F882 V923 E924 I926	I880-L931 HydrophobicContact CG2-CD1 3.62Å; F881-L931 WeakPolarHBondContact O-CA 2.96Å; F881-L931 WeakPolarHBondContact O-CD1 3.32Å; F882-L931 HydrophobicContact CD1-CD1 4.5Å; F882-L931 HydrophobicContact CD2-CD1 3.76Å; F882-L931 HydrophobicContact CE1-CD1 4.12Å; F882-L931 HydrophobicContact CE2-CD1 3.32Å; F882-L931 HydrophobicContact CG-CD1 4.34Å; F882-L931 HydrophobicContact CZ-CD1 3.52Å; F882-L931 HydrophobicContact CZ-CD2 4.07Å; F882-L931 HydrophobicContact CZ-CG 4.28Å; V923-L931 HydrophobicContact CB-CB 4.38Å; V923-L931 HydrophobicContact CB-CD2 4.05Å; V923-L931 HydrophobicContact CB-CG 3.85Å; V923-L931 WeakPolarHBondContact CB-O 3.25Å; V923-L931 HydrophobicContact CG1-CD2 3.97Å; V923-L931 HydrophobicContact CG1-CG 4.34Å; V923-L931 HydrophobicContact CG2-CD2 4.49Å; V923-L931 HydrophobicContact CG2-CG 4.08Å; V923-L931 PolarHBondContact N-O 3.42Å; E924-L931 HydrophobicContact CG-CB 4.22Å; E924-L931 HydrophobicContact CG-CD2 4.2Å; E924-L931 PolarHBondContact O-N 3.2Å; I926-L931 HydrophobicContact CD1-CB 4.13Å; I926-L931 HydrophobicContact CD1-CD2 4.32Å
932	C	94.2	Very high	88.4	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	154.1	178.5	-69.5	0	0	0	0	110.3	F881 V920 Y921 I948 M951	F881-C932 HydrophobicContact CB-CB 4.09Å; F881-C932 HydrophobicContact CD1-CB 3.89Å; F881-C932 HydrophobicContact CG-CB 4.34Å; F881-C932 PolarHBondContact N-O 2.95Å; F881-C932 PolarHBondContact O-N 3.4Å; V920-C932 HydrophobicContact CG1-CB 3.61Å; Y921-C932 WeakPolarHBondContact O-CA 3.3Å; C932-I948 HydrophobicContact CB-CD1 4.49Å; C932-M951 HydrophobicContact CB-CE 3.77Å; C932-M951 HydrophobicContact CB-SD 4.12Å
933	V	95	Very high	88.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.6	-179.9	66.2	0	0	0	0	110.7	V878 T879 I880 V920 Y921 V923 L936 L997	V878-V933 HydrophobicContact CB-CG2 3.91Å; V878-V933 HydrophobicContact CG1-CG2 4.44Å; V878-V933 HydrophobicContact CG2-CG2 4.02Å; T879-V933 WeakPolarHBondContact O-CA 3.33Å; T879-V933 WeakPolarHBondContact O-CG2 3.14Å; I880-V933 HydrophobicContact CG1-CG2 4.17Å; V920-V933 WeakPolarHBondContact CA-O 3.26Å; V920-V933 WeakPolarHBondContact CG1-O 3.4Å; Y921-V933 HydrophobicContact CD1-CG1 4.23Å; Y921-V933 PolarHBondContact N-O 2.94Å; Y921-V933 PolarHBondContact O-N 3.11Å; V923-V933 HydrophobicContact CG2-CB 4.34Å; V923-V933 HydrophobicContact CG2-CG1 3.69Å; V933-L936 HydrophobicContact CB-CG 4.43Å; V933-L936 HydrophobicContact CG1-CD1 3.59Å; V933-L936 HydrophobicContact CG1-CD2 4.14Å; V933-L936 HydrophobicContact CG1-CG 3.66Å; V933-L936 HydrophobicContact CG2-CD2 3.73Å; V933-L936 HydrophobicContact CG2-CG 3.87Å; V933-L997 HydrophobicContact CB-CD1 3.87Å; V933-L997 HydrophobicContact CG1-CD1 3.89Å; V933-L997 HydrophobicContact CG2-CD1 4.04Å
934	S	95.5	Very high	88.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.8	169.4	-170.9	0	0	0	0	109.9	V878 T879 D919 N940 H944	V878-S934 WeakPolarHBondContact CB-O 3.31Å; T879-S934 PolarHBondContact N-O 3.14Å; T879-S934 VanDerWaalsContact N-O 3.14Å; T879-S934 PolarHBondContact O-N 3.23Å; D919-S934 VanDerWaalsContact O-CB 3.3Å; D919-S934 WeakPolarHBondContact O-CB 3.32Å; D919-S934 PolarHBondContact O-OG 3.06Å; S934-N940 PolarHBondContact OG-ND2 3.1Å; S934-H944 WeakPolarHBondContact CB-O 3.33Å; S934-H944 VanDerWaalsContact O-CB 3.27Å; S934-H944 WeakPolarHBondContact O-CB 3.31Å; S934-H944 VanDerWaalsContact OG-CA 3.29Å; S934-H944 WeakPolarHBondContact OG-CA 3.38Å
935	G	93.1	Very high	89.3	Confident	3 Å²	3	35.4 Å²	35.4	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	93.2	-0.5	-170.3	0	0	0	0	0	113.9	F875 H938 R939 N940	F875-G935 WeakPolarHBondContact CD1-O 3.17Å; G935-H938 CarbonylContact C-O 3.58Å; G935-H938 WeakPolarHBondContact CA-O 2.93Å; G935-R939 WeakPolarHBondContact O-CA 3.38Å; G935-N940 WeakPolarHBondContact CA-OD1 3.27Å
936	L	91	Very high	89.8	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.026	20%	0.199	C	C	.	.	S	Bend	trans	-149	156.1	169.6	74	87.4	0	0	0	110.8	F875 V878 Y921 V933 H938 V983 A985 Y995 L997	F875-L936 HydrophobicContact CD1-CB 3.6Å; F875-L936 HydrophobicContact CD2-CB 4.1Å; F875-L936 HydrophobicContact CD2-CD2 4.33Å; F875-L936 HydrophobicContact CE1-CB 3.56Å; F875-L936 HydrophobicContact CE2-CB 4.08Å; F875-L936 HydrophobicContact CG-CB 3.89Å; F875-L936 HydrophobicContact CG-CD2 4.38Å; F875-L936 HydrophobicContact CZ-CB 3.82Å; V878-L936 HydrophobicContact CB-CD2 4.44Å; V878-L936 HydrophobicContact CG1-CB 4.16Å; V878-L936 HydrophobicContact CG1-CD2 3.75Å; V878-L936 HydrophobicContact CG1-CG 4.25Å; V878-L936 HydrophobicContact CG2-CD2 4.4Å; Y921-L936 HydrophobicContact CD1-CD1 4.44Å; V933-L936 HydrophobicContact CB-CG 4.43Å; V933-L936 HydrophobicContact CG1-CD1 3.59Å; V933-L936 HydrophobicContact CG1-CD2 4.14Å; V933-L936 HydrophobicContact CG1-CG 3.66Å; V933-L936 HydrophobicContact CG2-CD2 3.73Å; V933-L936 HydrophobicContact CG2-CG 3.87Å; L936-H938 PolarHBondContact N-O 3.4Å; L936-V983 HydrophobicContact CD2-CG2 3.52Å; L936-A985 HydrophobicContact CD1-CB 4.37Å; L936-A985 HydrophobicContact CD2-CB 4.36Å; L936-Y995 HydrophobicContact CD1-CD1 4.4Å; L936-Y995 HydrophobicContact CD1-CE1 3.68Å; L936-L997 HydrophobicContact CD1-CD2 3.7Å; L936-L997 HydrophobicContact CD2-CD1 4.39Å; L936-L997 HydrophobicContact CD2-CD2 3.44Å; L936-L997 VanDerWaalsContact CD2-CD2 3.44Å; L936-L997 HydrophobicContact CG-CD2 4.24Å
937	P	86.2	Confident	90.8	Very high	24 Å²	24	33.6 Å²	33.6	16%	0.156	19%	0.189	C	C	.	.	S	Bend	cis	-68	-13.8	-7.9	30.5	-35.4	0	0	0	111.9	P857 Y995	P857-P937 HydrophobicContact CB-CG 3.82Å; P857-P937 HydrophobicContact CG-CG 4.11Å; P937-Y995 HydrophobicContact CB-CE1 3.97Å
938	H	87.7	Confident	91.9	Very high	104 Å²	104	30.7 Å²	30.7	48%	0.481	16%	0.159	S	C	.	.	S	Bend	trans	-89.3	121.4	173.7	-60.6	-61	0	0	0	110.6	G935 L936	G935-H938 CarbonylContact C-O 3.58Å; G935-H938 WeakPolarHBondContact CA-O 2.93Å; L936-H938 PolarHBondContact N-O 3.4Å
939	R	90.6	Very high	92.7	Very high	129 Å²	129	29.7 Å²	29.7	49%	0.487	15%	0.154	S	C	.	.			trans	-76.3	120.8	175.1	-63.2	176.2	-174.8	-101.8	-0.1	109.4	E873 T874 F875 G935	E873-R939 IonicContact OE1-CZ 2.69Å; E873-R939 IonicContact OE1-NE 3.77Å; E873-R939 PolarHBondContact OE1-NE 3.32Å; E873-R939 IonicContact OE1-NH2 3.03Å; E873-R939 PolarHBondContact OE1-NH2 3.04Å; T874-R939 PolarHBondContact O-NH2 3.37Å; F875-R939 HydrophobicContact CD1-CG 3.91Å; F875-R939 HydrophobicContact CE1-CG 3.85Å; G935-R939 WeakPolarHBondContact O-CA 3.38Å
940	N	92.1	Very high	93.2	Very high	26 Å²	26	32.7 Å²	32.7	14%	0.139	17%	0.165	C	C	.	.			trans	-120.1	35.1	-176.3	62.4	9.6	0	0	0	112.9	D919 S934 G935 H942 D943 H944	D919-N940 WeakPolarHBondContact OD2-CB 3.41Å; D919-N940 PolarHBondContact OD2-ND2 2.82Å; S934-N940 PolarHBondContact OG-ND2 3.1Å; G935-N940 WeakPolarHBondContact CA-OD1 3.27Å; N940-H942 PolarHBondContact O-N 2.82Å; N940-D943 WeakPolarHBondContact O-CB 3.41Å; N940-D943 PolarHBondContact O-N 2.94Å; N940-D943 VanDerWaalsContact O-N 3.11Å; N940-H944 WeakPolarHBondContact OD1-CA 3.31Å; N940-H944 VanDerWaalsContact OD1-CB 3.23Å; N940-H944 WeakPolarHBondContact OD1-CB 3.24Å; N940-H944 PolarHBondContact OD1-N 3.45Å; N940-H944 VanDerWaalsContact OD1-N 3.15Å
941	G	91.9	Very high	93.5	Very high	57 Å²	57	32.6 Å²	32.6	59%	0.588	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	-130.4	177.8	0	0	0	0	0	111.6	H944	G941-H944 PolarHBondContact O-CD2 2.92Å; G941-H944 PolarHBondContact O-NE2 2.77Å
942	H	92.5	Very high	93.6	Very high	93 Å²	93	32.4 Å²	32.4	43%	0.431	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.5	172.3	-62.4	158.2	0	0	0	112.9	N940 H944 I945 V1030 V1031	N940-H942 PolarHBondContact O-N 2.82Å; H942-H944 PolarHBondContact O-N 3.46Å; H942-I945 VanDerWaalsContact O-CG2 3.26Å; H942-I945 WeakPolarHBondContact O-CG2 3.33Å; H942-V1030 HydrophobicContact CB-CG1 4.24Å; H942-V1030 WeakPolarHBondContact ND1-CG1 3.45Å; H942-V1031 HydrophobicContact CB-CG2 4.02Å; H942-V1031 WeakPolarHBondContact O-CG2 3.46Å
943	D	93.4	Very high	93.6	Very high	73 Å²	73	34.4 Å²	34.4	39%	0.39	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.8	-179	-79.7	-41.6	0	0	0	112.7	N940 I945 K946 H947	N940-D943 WeakPolarHBondContact O-CB 3.41Å; N940-D943 PolarHBondContact O-N 2.94Å; N940-D943 VanDerWaalsContact O-N 3.11Å; D943-I945 PolarHBondContact O-N 2.69Å; D943-I945 VanDerWaalsContact O-N 3.15Å; D943-K946 WeakPolarHBondContact O-CB 3.18Å; D943-K946 PolarHBondContact O-N 3.28Å; D943-H947 PolarHBondContact O-CD2 3.3Å; D943-H947 VanDerWaalsContact O-CD2 3.28Å; D943-H947 PolarHBondContact O-N 3.4Å
944	H	95.6	Very high	93.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-50.9	-40.8	176.1	51.4	74.4	0	0	0	113.5	T879 S934 N940 G941 H942 K946 H947 I948	T879-H944 PolarHBondContact OG1-ND1 2.86Å; S934-H944 WeakPolarHBondContact CB-O 3.33Å; S934-H944 VanDerWaalsContact O-CB 3.27Å; S934-H944 WeakPolarHBondContact O-CB 3.31Å; S934-H944 VanDerWaalsContact OG-CA 3.29Å; S934-H944 WeakPolarHBondContact OG-CA 3.38Å; N940-H944 WeakPolarHBondContact OD1-CA 3.31Å; N940-H944 VanDerWaalsContact OD1-CB 3.23Å; N940-H944 WeakPolarHBondContact OD1-CB 3.24Å; N940-H944 PolarHBondContact OD1-N 3.45Å; N940-H944 VanDerWaalsContact OD1-N 3.15Å; G941-H944 PolarHBondContact O-CD2 2.92Å; G941-H944 PolarHBondContact O-NE2 2.77Å; H942-H944 PolarHBondContact O-N 3.46Å; H944-K946 VanDerWaalsContact C-N 3.32Å; H944-K946 PolarHBondContact O-N 2.82Å; H944-H947 PolarHBondContact O-N 2.81Å; H944-I948 WeakPolarHBondContact O-CG1 3.49Å; H944-I948 PolarHBondContact O-N 3.29Å; H944-I948 VanDerWaalsContact O-N 3.11Å
945	I	96.2	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69	-34.2	-178.4	-170.1	49.7	0	0	0	111.6	T879 H942 D943 A949 I978 A1023 L1026 L1027 V1031	T879-I945 HydrophobicContact CG2-CD1 3.48Å; T879-I945 VanDerWaalsContact CG2-CD1 3.48Å; T879-I945 VanDerWaalsContact OG1-CA 3.22Å; T879-I945 WeakPolarHBondContact OG1-CA 3.4Å; T879-I945 WeakPolarHBondContact OG1-CB 3.33Å; T879-I945 PolarHBondContact OG1-N 3.49Å; H942-I945 VanDerWaalsContact O-CG2 3.26Å; H942-I945 WeakPolarHBondContact O-CG2 3.33Å; D943-I945 PolarHBondContact O-N 2.69Å; D943-I945 VanDerWaalsContact O-N 3.15Å; I945-A949 WeakPolarHBondContact O-CB 3.31Å; I945-A949 PolarHBondContact O-N 2.94Å; I945-I978 HydrophobicContact CD1-CG2 3.93Å; I945-A1023 HydrophobicContact CD1-CB 4.08Å; I945-L1026 HydrophobicContact CB-CB 4.38Å; I945-L1026 HydrophobicContact CG1-CB 4.14Å; I945-L1026 HydrophobicContact CG2-CB 4.17Å; I945-L1027 HydrophobicContact CD1-CD1 4.23Å; I945-L1027 HydrophobicContact CD1-CD2 4.19Å; I945-L1027 HydrophobicContact CD1-CG 3.93Å; I945-L1027 HydrophobicContact CG1-CD1 4.37Å; I945-L1027 HydrophobicContact CG1-CD2 3.63Å; I945-L1027 HydrophobicContact CG1-CG 3.53Å; I945-V1031 HydrophobicContact CG2-CB 4.29Å; I945-V1031 HydrophobicContact CG2-CG2 3.59Å
946	K	94.5	Very high	93.4	Very high	58 Å²	58	37.6 Å²	37.6	25%	0.252	19%	0.194	S	C	.	.	H	α-helix	trans	-69.9	-43.5	177.9	177.7	-177.4	176.4	-177	0	111.3	D943 H944 A949 R950 V1031 F1034	D943-K946 WeakPolarHBondContact O-CB 3.18Å; D943-K946 PolarHBondContact O-N 3.28Å; H944-K946 VanDerWaalsContact C-N 3.32Å; H944-K946 PolarHBondContact O-N 2.82Å; K946-A949 PolarHBondContact O-N 3.38Å; K946-R950 VanDerWaalsContact CE-NH1 3.33Å; K946-R950 VanDerWaalsContact CE-NH2 3.33Å; K946-R950 WeakPolarHBondContact O-CB 3.49Å; K946-R950 WeakPolarHBondContact O-CG 3.43Å; K946-R950 PolarHBondContact O-N 3.37Å; K946-V1031 HydrophobicContact CB-CG1 4.17Å; K946-V1031 HydrophobicContact CD-CG1 4.16Å; K946-F1034 HydrophobicContact CB-CE2 4.29Å; K946-F1034 HydrophobicContact CB-CZ 4.5Å; K946-F1034 HydrophobicContact CG-CE2 4.09Å; K946-F1034 HydrophobicContact CG-CZ 4.07Å
947	H	96	Very high	93.5	Very high	43 Å²	43	41 Å²	41	20%	0.199	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-45.4	176.1	-75.3	-64.4	0	0	0	111.7	N918 D919 V920 D943 H944 M951	N918-H947 HydrophobicContact CB-CB 4.48Å; D919-H947 PolarHBondContact N-ND1 2.84Å; V920-H947 HydrophobicContact CG2-CB 3.98Å; D943-H947 PolarHBondContact O-CD2 3.3Å; D943-H947 VanDerWaalsContact O-CD2 3.28Å; D943-H947 PolarHBondContact O-N 3.4Å; H944-H947 PolarHBondContact O-N 2.81Å; H947-M951 VanDerWaalsContact O-CB 3.27Å; H947-M951 WeakPolarHBondContact O-CB 3.19Å; H947-M951 PolarHBondContact O-N 3.01Å
948	I	97	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-41.9	176.3	-67.4	-63.4	0	0	0	112	T879 F881 V920 C932 H944 M951 S952 I978	T879-I948 HydrophobicContact CG2-CB 3.61Å; T879-I948 HydrophobicContact CG2-CG1 3.72Å; T879-I948 HydrophobicContact CG2-CG2 3.63Å; F881-I948 HydrophobicContact CB-CD1 3.94Å; F881-I948 HydrophobicContact CB-CG2 3.81Å; F881-I948 HydrophobicContact CD2-CG2 4.17Å; F881-I948 HydrophobicContact CG-CG2 4.48Å; V920-I948 HydrophobicContact CG1-CD1 3.8Å; V920-I948 HydrophobicContact CG2-CD1 3.89Å; C932-I948 HydrophobicContact CB-CD1 4.49Å; H944-I948 WeakPolarHBondContact O-CG1 3.49Å; H944-I948 PolarHBondContact O-N 3.29Å; H944-I948 VanDerWaalsContact O-N 3.11Å; I948-M951 HydrophobicContact CD1-CE 3.84Å; I948-M951 PolarHBondContact O-N 2.7Å; I948-S952 VanDerWaalsContact O-CB 3.31Å; I948-S952 WeakPolarHBondContact O-CB 3.44Å; I948-S952 PolarHBondContact O-N 3.06Å; I948-S952 PolarHBondContact O-OG 3.12Å; I948-I978 HydrophobicContact CG2-CD1 3.98Å; I948-I978 HydrophobicContact CG2-CG1 4.05Å; I948-I978 HydrophobicContact CG2-CG2 4.05Å
949	A	96.3	Very high	93.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-43.4	178.2	0	0	0	0	0	112.4	I945 K946 S952 L953 L1027 F1034 L1055	I945-A949 WeakPolarHBondContact O-CB 3.31Å; I945-A949 PolarHBondContact O-N 2.94Å; K946-A949 PolarHBondContact O-N 3.38Å; A949-S952 PolarHBondContact O-N 2.98Å; A949-L953 WeakPolarHBondContact O-CG 3.38Å; A949-L953 PolarHBondContact O-N 3.36Å; A949-L1027 HydrophobicContact CB-CD2 3.65Å; A949-F1034 HydrophobicContact CB-CD1 4.11Å; A949-F1034 HydrophobicContact CB-CE1 3.65Å; A949-F1034 HydrophobicContact CB-CE2 4.43Å; A949-F1034 HydrophobicContact CB-CZ 3.84Å; A949-L1055 HydrophobicContact CB-CD2 3.74Å
950	R	95.7	Very high	93.4	Very high	65 Å²	65	33 Å²	33	25%	0.245	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-45.9	175.2	-74.6	175.9	174.9	-173.5	-6.7	112.4	K946 S952 L953 A954 F1034 E1058	K946-R950 VanDerWaalsContact CE-NH1 3.33Å; K946-R950 VanDerWaalsContact CE-NH2 3.33Å; K946-R950 WeakPolarHBondContact O-CB 3.49Å; K946-R950 WeakPolarHBondContact O-CG 3.43Å; K946-R950 PolarHBondContact O-N 3.37Å; R950-S952 VanDerWaalsContact C-N 3.27Å; R950-S952 PolarHBondContact O-N 3.23Å; R950-L953 PolarHBondContact O-N 3.44Å; R950-A954 VanDerWaalsContact O-CB 3.3Å; R950-A954 WeakPolarHBondContact O-CB 3.19Å; R950-A954 PolarHBondContact O-N 3.46Å; R950-F1034 HydrophobicContact CG-CE1 4.31Å; R950-F1034 HydrophobicContact CG-CZ 4.11Å; R950-E1058 IonicContact CZ-OE1 3.7Å; R950-E1058 VanDerWaalsContact CZ-OE1 3.26Å; R950-E1058 IonicContact NE-OE1 3.82Å; R950-E1058 PolarHBondContact NE-OE1 3.39Å; R950-E1058 IonicContact NH2-OE1 2.66Å; R950-E1058 PolarHBondContact NH2-OE1 3.44Å
951	M	95.8	Very high	92.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-43.9	173.6	-178.3	-167.3	73	0	0	110.9	F881 I914 I915 V920 C932 H947 I948 A954 F955	F881-M951 HydrophobicContact CB-CE 3.8Å; F881-M951 HydrophobicContact CD1-CE 3.56Å; F881-M951 HydrophobicContact CD2-CE 3.43Å; F881-M951 VanDerWaalsContact CD2-CE 3.43Å; F881-M951 HydrophobicContact CE1-CE 3.86Å; F881-M951 HydrophobicContact CE2-CE 3.71Å; F881-M951 HydrophobicContact CG-CE 3.33Å; F881-M951 HydrophobicContact CZ-CE 3.93Å; I914-M951 HydrophobicContact CG2-CG 4.19Å; I915-M951 HydrophobicContact CG1-SD 3.83Å; V920-M951 HydrophobicContact CB-SD 4.23Å; V920-M951 HydrophobicContact CG1-CE 4.43Å; V920-M951 HydrophobicContact CG1-SD 3.7Å; V920-M951 HydrophobicContact CG2-SD 4.13Å; C932-M951 HydrophobicContact CB-CE 3.77Å; C932-M951 HydrophobicContact CB-SD 4.12Å; H947-M951 VanDerWaalsContact O-CB 3.27Å; H947-M951 WeakPolarHBondContact O-CB 3.19Å; H947-M951 PolarHBondContact O-N 3.01Å; I948-M951 HydrophobicContact CD1-CE 3.84Å; I948-M951 PolarHBondContact O-N 2.7Å; M951-A954 PolarHBondContact O-N 3.43Å; M951-F955 HydrophobicContact CG-CD1 3.85Å; M951-F955 HydrophobicContact CG-CE1 3.49Å; M951-F955 VanDerWaalsContact CG-CE1 3.49Å; M951-F955 HydrophobicContact CG-CZ 4.15Å; M951-F955 WeakPolarHBondContact O-CD1 3.38Å; M951-F955 PolarHBondContact O-N 3.48Å; M951-F955 HydrophobicContact SD-CE1 4.16Å; M951-F955 HydrophobicContact SD-CZ 4.25Å
952	S	95.6	Very high	92.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-43.9	180	-56.6	0	0	0	0	112.7	F881 I948 A949 R950 F955 L956 I978	F881-S952 WeakPolarHBondContact CD2-OG 3.44Å; F881-S952 WeakPolarHBondContact CE2-OG 3.4Å; I948-S952 VanDerWaalsContact O-CB 3.31Å; I948-S952 WeakPolarHBondContact O-CB 3.44Å; I948-S952 PolarHBondContact O-N 3.06Å; I948-S952 PolarHBondContact O-OG 3.12Å; A949-S952 PolarHBondContact O-N 2.98Å; R950-S952 VanDerWaalsContact C-N 3.27Å; R950-S952 PolarHBondContact O-N 3.23Å; S952-F955 PolarHBondContact O-N 3.31Å; S952-L956 PolarHBondContact O-N 3.22Å; S952-I978 WeakPolarHBondContact OG-CD1 3.4Å
953	L	94.7	Very high	92.1	Very high	42 Å²	42	38.3 Å²	38.3	22%	0.22	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-40.9	175.7	-69.9	169.1	0	0	0	111.3	A949 R950 L956 S957 I1017 F1034 L1055	A949-L953 WeakPolarHBondContact O-CG 3.38Å; A949-L953 PolarHBondContact O-N 3.36Å; R950-L953 PolarHBondContact O-N 3.44Å; L953-L956 PolarHBondContact O-N 2.77Å; L953-S957 PolarHBondContact O-N 2.98Å; L953-S957 PolarHBondContact O-OG 2.79Å; L953-I1017 HydrophobicContact CD2-CD1 3.8Å; L953-I1017 HydrophobicContact CG-CD1 4.14Å; L953-F1034 HydrophobicContact CD1-CD1 4.38Å; L953-F1034 HydrophobicContact CD1-CE1 4.23Å; L953-L1055 HydrophobicContact CG-CD2 4.35Å
954	A	93.5	Very high	91.7	Very high	28 Å²	28	34.9 Å²	34.9	23%	0.231	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-36.6	176.9	0	0	0	0	0	112.7	I914 R950 M951 S957 S958	I914-A954 HydrophobicContact CD1-CB 4.43Å; I914-A954 HydrophobicContact CG2-CB 3.61Å; R950-A954 VanDerWaalsContact O-CB 3.3Å; R950-A954 WeakPolarHBondContact O-CB 3.19Å; R950-A954 PolarHBondContact O-N 3.46Å; M951-A954 PolarHBondContact O-N 3.43Å; A954-S957 WeakPolarHBondContact CA-OG 3.39Å; A954-S957 PolarHBondContact O-N 3.32Å; A954-S957 PolarHBondContact O-OG 3.37Å; A954-S958 WeakPolarHBondContact O-CB 3.39Å; A954-S958 PolarHBondContact O-N 3.03Å; A954-S958 PolarHBondContact O-OG 2.62Å
955	F	93.7	Very high	91	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-50.6	173.1	-87.8	38.6	0	0	0	110.3	F881 F911 I914 I915 M951 S952 S957 S958 L959 L974 I976	F881-F955 HydrophobicContact CE1-CD2 4.3Å; F881-F955 HydrophobicContact CE1-CE2 4.04Å; F881-F955 AromaticContact CZ-CD2 3.74Å; F881-F955 HydrophobicContact CZ-CD2 3.74Å; F881-F955 AromaticContact CZ-CE2 3.94Å; F881-F955 HydrophobicContact CZ-CE2 3.94Å; F881-F955 HydrophobicContact CZ-CG 4.45Å; F911-F955 HydrophobicContact CB-CE1 4.17Å; F911-F955 HydrophobicContact CB-CE2 3.94Å; F911-F955 HydrophobicContact CB-CZ 3.63Å; F911-F955 HydrophobicContact CD1-CD1 4.34Å; F911-F955 HydrophobicContact CD1-CD2 4.09Å; F911-F955 HydrophobicContact CD1-CE1 4.4Å; F911-F955 HydrophobicContact CD1-CE2 4.14Å; F911-F955 HydrophobicContact CD1-CG 4.2Å; F911-F955 HydrophobicContact CD1-CZ 4.3Å; F911-F955 HydrophobicContact CD2-CD2 4.15Å; F911-F955 AromaticContact CD2-CE2 3.78Å; F911-F955 HydrophobicContact CD2-CE2 3.78Å; F911-F955 HydrophobicContact CD2-CZ 4.35Å; F911-F955 HydrophobicContact CE1-CD2 4.21Å; F911-F955 HydrophobicContact CE1-CG 4.32Å; F911-F955 HydrophobicContact CE2-CD2 4.26Å; F911-F955 HydrophobicContact CE2-CE2 4.31Å; F911-F955 HydrophobicContact CG-CD2 4.07Å; F911-F955 HydrophobicContact CG-CE1 4.37Å; F911-F955 AromaticContact CG-CE2 3.69Å; F911-F955 HydrophobicContact CG-CE2 3.69Å; F911-F955 AromaticContact CG-CZ 3.86Å; F911-F955 HydrophobicContact CG-CZ 3.86Å; F911-F955 HydrophobicContact CZ-CD2 4.3Å; I914-F955 HydrophobicContact CB-CD1 4.11Å; I914-F955 HydrophobicContact CB-CE1 3.82Å; I914-F955 HydrophobicContact CD1-CD1 3.98Å; I914-F955 HydrophobicContact CD1-CE1 4.37Å; I914-F955 HydrophobicContact CG2-CD1 3.75Å; I914-F955 HydrophobicContact CG2-CE1 3.74Å; I915-F955 HydrophobicContact CD1-CZ 4.03Å; I915-F955 HydrophobicContact CG1-CE1 4.16Å; I915-F955 HydrophobicContact CG1-CZ 3.89Å; M951-F955 HydrophobicContact CG-CD1 3.85Å; M951-F955 HydrophobicContact CG-CE1 3.49Å; M951-F955 VanDerWaalsContact CG-CE1 3.49Å; M951-F955 HydrophobicContact CG-CZ 4.15Å; M951-F955 WeakPolarHBondContact O-CD1 3.38Å; M951-F955 PolarHBondContact O-N 3.48Å; M951-F955 HydrophobicContact SD-CE1 4.16Å; M951-F955 HydrophobicContact SD-CZ 4.25Å; S952-F955 PolarHBondContact O-N 3.31Å; F955-S957 PolarHBondContact O-N 3.46Å; F955-S958 PolarHBondContact O-N 2.59Å; F955-S958 PolarHBondContact O-OG 3.1Å; F955-L959 WeakPolarHBondContact O-CG 2.82Å; F955-L959 PolarHBondContact O-N 3.27Å; F955-L974 HydrophobicContact CB-CD1 4.14Å; F955-L974 HydrophobicContact CD2-CD1 4.02Å; F955-I976 HydrophobicContact CB-CD1 4.37Å
956	L	92.4	Very high	90.4	Very high	42 Å²	42	41.3 Å²	41.3	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-38.6	178.5	-67.9	-173.4	0	0	0	113	S952 L953 L959 L974 I976 I1017	S952-L956 PolarHBondContact O-N 3.22Å; L953-L956 PolarHBondContact O-N 2.77Å; L956-L959 PolarHBondContact O-N 3.14Å; L956-L974 HydrophobicContact CD2-CB 4.04Å; L956-I976 HydrophobicContact CD1-CD1 4.4Å; L956-I976 HydrophobicContact CD2-CD1 3.87Å; L956-I976 HydrophobicContact CG-CD1 3.8Å; L956-I1017 HydrophobicContact CD1-CD1 3.89Å; L956-I1017 HydrophobicContact CD1-CG1 3.67Å; L956-I1017 HydrophobicContact CG-CG1 4.47Å
957	S	91.4	Very high	89.9	Confident	77 Å²	77	40.1 Å²	40.1	54%	0.538	22%	0.222	S	C	.	.	H	α-helix	trans	-68.2	-39.3	178.3	68	0	0	0	0	112.2	L953 A954 F955 L959 A960	L953-S957 PolarHBondContact O-N 2.98Å; L953-S957 PolarHBondContact O-OG 2.79Å; A954-S957 WeakPolarHBondContact CA-OG 3.39Å; A954-S957 PolarHBondContact O-N 3.32Å; A954-S957 PolarHBondContact O-OG 3.37Å; F955-S957 PolarHBondContact O-N 3.46Å; S957-L959 PolarHBondContact O-N 3.02Å; S957-A960 VanDerWaalsContact O-CB 3.29Å; S957-A960 WeakPolarHBondContact O-CB 3.44Å; S957-A960 PolarHBondContact O-N 3.07Å; S957-A960 VanDerWaalsContact O-N 3.11Å
958	S	90.7	Very high	89.2	Confident	25 Å²	25	42.1 Å²	42.1	18%	0.175	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-30	178.1	72.3	0	0	0	0	113.1	A954 F955 A960 E961 F962	A954-S958 WeakPolarHBondContact O-CB 3.39Å; A954-S958 PolarHBondContact O-N 3.03Å; A954-S958 PolarHBondContact O-OG 2.62Å; F955-S958 PolarHBondContact O-N 2.59Å; F955-S958 PolarHBondContact O-OG 3.1Å; S958-A960 VanDerWaalsContact C-N 3.3Å; S958-A960 PolarHBondContact O-N 3.02Å; S958-E961 PolarHBondContact O-N 3.35Å; S958-F962 PolarHBondContact O-N 3.5Å
959	L	89.1	Confident	88.5	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-74	-17.9	177.8	-70.1	172.8	0	0	0	114.1	L907 F911 F955 L956 S957 E961 F962 I972 L974	L907-L959 HydrophobicContact CD1-CD2 3.82Å; F911-L959 HydrophobicContact CE1-CD2 4.31Å; F911-L959 HydrophobicContact CE1-CG 4.41Å; F911-L959 HydrophobicContact CZ-CD1 4.35Å; F911-L959 HydrophobicContact CZ-CD2 4.1Å; F911-L959 HydrophobicContact CZ-CG 4.36Å; F955-L959 WeakPolarHBondContact O-CG 2.82Å; F955-L959 PolarHBondContact O-N 3.27Å; L956-L959 PolarHBondContact O-N 3.14Å; S957-L959 PolarHBondContact O-N 3.02Å; L959-E961 PolarHBondContact O-N 3.21Å; L959-F962 HydrophobicContact CD2-CB 4.13Å; L959-F962 HydrophobicContact CD2-CD1 4.41Å; L959-F962 HydrophobicContact CD2-CG 4.37Å; L959-I972 HydrophobicContact CD2-CB 4.31Å; L959-I972 HydrophobicContact CD2-CG2 4.18Å; L959-L974 HydrophobicContact CD1-CB 4.17Å; L959-L974 HydrophobicContact CD1-CD1 3.52Å; L959-L974 HydrophobicContact CD1-CG 3.48Å; L959-L974 VanDerWaalsContact CD1-CG 3.48Å
960	A	82.8	Confident	87.8	Confident	55 Å²	55	50.5 Å²	50.5	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-34.6	175.4	0	0	0	0	0	111.5	S957 S958 R963 R971	S957-A960 VanDerWaalsContact O-CB 3.29Å; S957-A960 WeakPolarHBondContact O-CB 3.44Å; S957-A960 PolarHBondContact O-N 3.07Å; S957-A960 VanDerWaalsContact O-N 3.11Å; S958-A960 VanDerWaalsContact C-N 3.3Å; S958-A960 PolarHBondContact O-N 3.02Å; A960-R963 PolarHBondContact O-NH1 3.01Å; A960-R963 PolarHBondContact O-NH2 3.06Å; A960-R971 PolarHBondContact O-NH1 3.38Å
961	E	81.7	Confident	87.2	Confident	168 Å²	168	55 Å²	55	79%	0.785	31%	0.307	S	S	*	.	H	α-helix	trans	-97.7	-23.2	-178.7	-63.8	-176.6	178.1	0	0	113.1	S958 L959 R963	S958-E961 PolarHBondContact O-N 3.35Å; L959-E961 PolarHBondContact O-N 3.21Å; E961-R963 PolarHBondContact O-N 3.4Å
962	F	85.9	Confident	86.8	Confident	20 Å²	20	55.5 Å²	55.5	9%	0.088	31%	0.309	C	S	.	.			trans	-59.3	132.4	178.7	-171	-99.6	0	0	0	112.5	L903 D906 L907 I910 S958 L959 V964 I972	L903-F962 HydrophobicContact CD1-CE1 3.78Å; L903-F962 HydrophobicContact CD1-CZ 3.86Å; D906-F962 HydrophobicContact CB-CE2 4.1Å; D906-F962 HydrophobicContact CB-CZ 4.25Å; L907-F962 HydrophobicContact CB-CZ 4.25Å; L907-F962 HydrophobicContact CD1-CD1 4.48Å; L907-F962 HydrophobicContact CD1-CE1 4.28Å; L907-F962 HydrophobicContact CD1-CE2 4.43Å; L907-F962 HydrophobicContact CD1-CZ 4.23Å; I910-F962 HydrophobicContact CD1-CD2 3.42Å; I910-F962 VanDerWaalsContact CD1-CD2 3.42Å; I910-F962 HydrophobicContact CD1-CE2 3.75Å; S958-F962 PolarHBondContact O-N 3.5Å; L959-F962 HydrophobicContact CD2-CB 4.13Å; L959-F962 HydrophobicContact CD2-CD1 4.41Å; L959-F962 HydrophobicContact CD2-CG 4.37Å; F962-V964 HydrophobicContact CE1-CG2 4.29Å; F962-I972 HydrophobicContact CD1-CD1 4.12Å; F962-I972 HydrophobicContact CD1-CG1 4.47Å; F962-I972 HydrophobicContact CE1-CD1 3.68Å; F962-I972 HydrophobicContact CE1-CG1 4.47Å
963	R	83.2	Confident	86.5	Confident	99 Å²	99	59.3 Å²	59.3	37%	0.374	33%	0.33	S	S	.	.			trans	-132	135.7	175.4	-62.4	-64.6	178.3	-87.6	-9.5	109.4	A960 E961 A965 P968	A960-R963 PolarHBondContact O-NH1 3.01Å; A960-R963 PolarHBondContact O-NH2 3.06Å; E961-R963 PolarHBondContact O-N 3.4Å; R963-A965 PolarHBondContact O-N 3.41Å; R963-P968 WeakPolarHBondContact CD-O 3.4Å
964	V	83	Confident	86.4	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.012	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-72.2	118.9	176.4	-178	0	0	0	0	108.9	L903 F962 H966 M967 P968 I972	L903-V964 HydrophobicContact CD1-CB 4.42Å; L903-V964 HydrophobicContact CD1-CG1 4.09Å; L903-V964 HydrophobicContact CD1-CG2 3.84Å; F962-V964 HydrophobicContact CE1-CG2 4.29Å; V964-H966 WeakPolarHBondContact CG1-CE1 3.46Å; V964-H966 PolarHBondContact O-N 2.78Å; V964-M967 HydrophobicContact CB-CB 4.34Å; V964-M967 HydrophobicContact CG1-CB 4.24Å; V964-M967 CarbonylContact O-C 3.5Å; V964-M967 PolarHBondContact O-N 2.68Å; V964-P968 WeakPolarHBondContact O-CA 3.27Å; V964-P968 VanDerWaalsContact O-N 3.12Å; V964-I972 HydrophobicContact CG2-CD1 3.91Å; V964-I972 HydrophobicContact CG2-CG1 4.14Å
965	A	82.4	Confident	86.4	Confident	77 Å²	77	58.6 Å²	58.6	64%	0.636	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.9	-170.6	0	0	0	0	0	114.6	R963	R963-A965 PolarHBondContact O-N 3.41Å
966	H	82.8	Confident	86.5	Confident	57 Å²	57	58.6 Å²	58.6	26%	0.264	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-6	-179.2	61.6	-81.8	0	0	0	113.9	C895 Q899 V964	C895-H966 PolarHBondContact SG-NE2 3.01Å; Q899-H966 HydrophobicContact CG-CB 4.47Å; V964-H966 WeakPolarHBondContact CG1-CE1 3.46Å; V964-H966 PolarHBondContact O-N 2.78Å
967	M	84	Confident	86.7	Confident	34 Å²	34	56.6 Å²	56.6	17%	0.167	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-142.3	66.4	176.5	-73.6	-170.5	-74.4	0	0	110.3	L891 K894 C895 V964 S969 E970	L891-M967 HydrophobicContact CD1-CE 3.75Å; K894-M967 HydrophobicContact CB-CE 3.99Å; K894-M967 HydrophobicContact CB-SD 4.08Å; K894-M967 HydrophobicContact CD-SD 4.27Å; C895-M967 WeakPolarHBondContact SG-CE 3.36Å; V964-M967 HydrophobicContact CB-CB 4.34Å; V964-M967 HydrophobicContact CG1-CB 4.24Å; V964-M967 CarbonylContact O-C 3.5Å; V964-M967 PolarHBondContact O-N 2.68Å; M967-S969 PolarHBondContact O-N 2.79Å; M967-E970 HydrophobicContact CB-CB 4.2Å; M967-E970 HydrophobicContact CB-CG 4.05Å; M967-E970 PolarHBondContact O-N 3.12Å; M967-E970 HydrophobicContact SD-CG 4.17Å
968	P	80.9	Confident	87	Confident	85 Å²	85	53 Å²	53	55%	0.552	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.9	-171.1	24.2	-34.5	0	0	0	114.4	R963 V964	R963-P968 WeakPolarHBondContact CD-O 3.4Å; V964-P968 WeakPolarHBondContact O-CA 3.27Å; V964-P968 VanDerWaalsContact O-N 3.12Å
969	S	82.8	Confident	87.3	Confident	110 Å²	110	52 Å²	52	77%	0.769	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-22.3	173.9	54.6	0	0	0	0	114	M967	M967-S969 PolarHBondContact O-N 2.79Å
970	E	82.5	Confident	87.6	Confident	66 Å²	66	51.8 Å²	51.8	31%	0.308	27%	0.274	S	S	.	.			trans	-80.3	130.6	179.9	-70.3	-76.5	-165.4	0	0	109.7	L891 K894 M967	L891-E970 HydrophobicContact CD1-CB 4.41Å; K894-E970 IonicContact NZ-OE1 3.67Å; K894-E970 PolarHBondContact NZ-OE1 3.46Å; M967-E970 HydrophobicContact CB-CB 4.2Å; M967-E970 HydrophobicContact CB-CG 4.05Å; M967-E970 PolarHBondContact O-N 3.12Å; M967-E970 HydrophobicContact SD-CG 4.17Å
971	R	83.4	Confident	88.2	Confident	160 Å²	160	50 Å²	50	60%	0.604	26%	0.261	S	S	*	.			trans	-107.1	140.2	176.9	-67.2	-160	-177	-143.2	6.5	110.7	A960	A960-R971 PolarHBondContact O-NH1 3.38Å
972	I	87.2	Confident	88.9	Confident	9 Å²	9	45.4 Å²	45.4	5%	0.046	25%	0.247	C	C	.	.			trans	-97.6	137	176.9	-61.8	-170.7	0	0	0	109.3	V885 L891 L903 L959 F962 V964	V885-I972 HydrophobicContact CG1-CG2 3.54Å; V885-I972 HydrophobicContact CG2-CG2 4.47Å; L891-I972 HydrophobicContact CD2-CD1 3.79Å; L891-I972 HydrophobicContact CD2-CG1 4.07Å; L903-I972 HydrophobicContact CD1-CD1 3.76Å; L903-I972 HydrophobicContact CD2-CD1 4.49Å; L959-I972 HydrophobicContact CD2-CB 4.31Å; L959-I972 HydrophobicContact CD2-CG2 4.18Å; F962-I972 HydrophobicContact CD1-CD1 4.12Å; F962-I972 HydrophobicContact CD1-CG1 4.47Å; F962-I972 HydrophobicContact CE1-CD1 3.68Å; F962-I972 HydrophobicContact CE1-CG1 4.47Å; V964-I972 HydrophobicContact CG2-CD1 3.91Å; V964-I972 HydrophobicContact CG2-CG1 4.14Å
973	N	88.7	Confident	89.3	Confident	80 Å²	80	44.6 Å²	44.6	43%	0.428	24%	0.244	S	C	.	.			trans	-124.2	151.4	170.8	-84.5	-44	0	0	0	109.3	V886 P1014	V886-N973 HydrophobicContact CB-CB 4.33Å; V886-N973 WeakPolarHBondContact CB-O 3.48Å; V886-N973 HydrophobicContact CG2-CB 4.22Å; V886-N973 WeakPolarHBondContact CG2-O 3.49Å; V886-N973 PolarHBondContact N-O 3.02Å; N973-P1014 HydrophobicContact CB-CB 4.49Å
974	L	91.8	Very high	89.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149.9	171.9	-71.4	169.8	0	0	0	111.1	D884 V885 F911 F955 L956 L959 I976 G1015	D884-L974 WeakPolarHBondContact O-CA 3.35Å; D884-L974 WeakPolarHBondContact O-CD2 3.44Å; V885-L974 HydrophobicContact CB-CD2 4.42Å; V885-L974 HydrophobicContact CG2-CD2 3.63Å; F911-L974 HydrophobicContact CE1-CD1 4.45Å; F911-L974 HydrophobicContact CE2-CD1 4.07Å; F911-L974 HydrophobicContact CE2-CD2 4.44Å; F911-L974 HydrophobicContact CZ-CD1 3.66Å; F911-L974 HydrophobicContact CZ-CG 4.43Å; F955-L974 HydrophobicContact CB-CD1 4.14Å; F955-L974 HydrophobicContact CD2-CD1 4.02Å; L956-L974 HydrophobicContact CD2-CB 4.04Å; L959-L974 HydrophobicContact CD1-CB 4.17Å; L959-L974 HydrophobicContact CD1-CD1 3.52Å; L959-L974 HydrophobicContact CD1-CG 3.48Å; L959-L974 VanDerWaalsContact CD1-CG 3.48Å; L974-I976 HydrophobicContact CB-CD1 4.48Å; L974-I976 HydrophobicContact CB-CG1 4.19Å; L974-I976 HydrophobicContact CD1-CD1 4.48Å; L974-G1015 WeakPolarHBondContact O-CA 3.34Å; L974-G1015 PolarHBondContact O-N 3.3Å
975	R	94.2	Very high	90.3	Very high	55 Å²	55	42.4 Å²	42.4	21%	0.208	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.4	152.5	-65.9	-172.5	-55.8	-98.9	-4.9	107.6	S883 D884 V886 E1009	S883-R975 WeakPolarHBondContact CA-O 3.37Å; D884-R975 PolarHBondContact N-O 2.65Å; D884-R975 PolarHBondContact O-N 3.12Å; D884-R975 IonicContact OD2-CZ 2.79Å; D884-R975 IonicContact OD2-NH1 2.89Å; D884-R975 IonicContact OD2-NH2 3.28Å; D884-R975 PolarHBondContact OD2-NH2 3.27Å; V886-R975 HydrophobicContact CG2-CG 3.76Å; R975-E1009 HydrophobicContact CB-CG 4.29Å; R975-E1009 IonicContact CZ-OE1 3.74Å; R975-E1009 IonicContact NE-OE1 3.8Å; R975-E1009 PolarHBondContact NE-OE1 3.21Å; R975-E1009 IonicContact NH2-OE1 2.81Å; R975-E1009 PolarHBondContact NH2-OE1 3.18Å; R975-E1009 VanDerWaalsContact NH2-OE1 3.11Å
976	I	96.2	Very high	90.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.9	179.7	-65.1	169.8	0	0	0	109	F881 F882 F955 L956 L974 I978 R1016 I1017 H1018	F881-I976 HydrophobicContact CD2-CG2 3.61Å; F881-I976 HydrophobicContact CE2-CB 4.21Å; F881-I976 HydrophobicContact CE2-CD1 3.95Å; F881-I976 HydrophobicContact CE2-CG1 3.96Å; F881-I976 HydrophobicContact CE2-CG2 3.23Å; F881-I976 HydrophobicContact CZ-CD1 4.15Å; F881-I976 HydrophobicContact CZ-CG1 4.03Å; F881-I976 HydrophobicContact CZ-CG2 4.05Å; F882-I976 CarbonylContact O-C 3.58Å; F882-I976 WeakPolarHBondContact O-CA 3.48Å; F955-I976 HydrophobicContact CB-CD1 4.37Å; L956-I976 HydrophobicContact CD1-CD1 4.4Å; L956-I976 HydrophobicContact CD2-CD1 3.87Å; L956-I976 HydrophobicContact CG-CD1 3.8Å; L974-I976 HydrophobicContact CB-CD1 4.48Å; L974-I976 HydrophobicContact CB-CG1 4.19Å; L974-I976 HydrophobicContact CD1-CD1 4.48Å; I976-I978 HydrophobicContact CG2-CG1 4.15Å; I976-R1016 PolarHBondContact N-O 3.02Å; I976-I1017 HydrophobicContact CB-CB 4.44Å; I976-I1017 HydrophobicContact CB-CG1 4.08Å; I976-I1017 HydrophobicContact CB-CG2 4.44Å; I976-I1017 HydrophobicContact CD1-CG1 4.03Å; I976-I1017 HydrophobicContact CG2-CB 4.43Å; I976-I1017 HydrophobicContact CG2-CG1 4.21Å; I976-I1017 HydrophobicContact CG2-CG2 3.93Å; I976-H1018 PolarHBondContact O-N 3.19Å
977	G	96.3	Very high	90.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.9	173.4	0	0	0	0	0	111.7	F881 F882 E1009 H1018	F881-G977 WeakPolarHBondContact CA-O 3.29Å; F882-G977 PolarHBondContact N-O 3.33Å; F882-G977 PolarHBondContact O-N 2.72Å; G977-E1009 VanDerWaalsContact CA-N 3.35Å; G977-H1018 CarbonylContact C-O 3.57Å; G977-H1018 WeakPolarHBondContact CA-O 3.41Å
978	I	97.5	Very high	90.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.2	178.2	-56.9	174.9	0	0	0	109.5	T879 I880 I945 I948 S952 I976 I1017 H1018 V1019 S1020 A1023	T879-I978 HydrophobicContact CG2-CG2 3.46Å; T879-I978 VanDerWaalsContact CG2-CG2 3.46Å; I880-I978 WeakPolarHBondContact O-CA 3.44Å; I945-I978 HydrophobicContact CD1-CG2 3.93Å; I948-I978 HydrophobicContact CG2-CD1 3.98Å; I948-I978 HydrophobicContact CG2-CG1 4.05Å; I948-I978 HydrophobicContact CG2-CG2 4.05Å; S952-I978 WeakPolarHBondContact OG-CD1 3.4Å; I976-I978 HydrophobicContact CG2-CG1 4.15Å; I978-I1017 HydrophobicContact CD1-CG2 3.32Å; I978-I1017 HydrophobicContact CG1-CG2 3.93Å; I978-H1018 PolarHBondContact N-O 3.23Å; I978-V1019 HydrophobicContact CB-CG1 4.48Å; I978-V1019 HydrophobicContact CB-CG2 4.33Å; I978-V1019 HydrophobicContact CD1-CG2 4.37Å; I978-S1020 PolarHBondContact O-N 3.42Å; I978-S1020 VanDerWaalsContact O-N 3.14Å; I978-A1023 HydrophobicContact CG2-CB 4.21Å
979	N	96.9	Very high	90.7	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.9	170.4	178.9	62.7	0	0	0	111.1	I880 A1001 T1004 A1005 S1020	I880-N979 PolarHBondContact N-O 3.08Å; I880-N979 PolarHBondContact O-N 3.37Å; I880-N979 VanDerWaalsContact O-N 3.15Å; N979-A1001 PolarHBondContact ND2-O 2.85Å; N979-A1001 VanDerWaalsContact ND2-O 3.08Å; N979-T1004 HydrophobicContact CB-CG2 4.24Å; N979-T1004 WeakPolarHBondContact ND2-CB 3.25Å; N979-A1005 HydrophobicContact CB-CB 3.78Å; N979-S1020 WeakPolarHBondContact OD1-CB 3.4Å; N979-S1020 PolarHBondContact OD1-OG 2.9Å
980	C	96.3	Very high	90.2	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.5	172.4	-62.9	0	0	0	0	110.8	L877 V878 T879 A1023 L1026	L877-C980 HydrophobicContact CD1-CB 4.27Å; V878-C980 VanDerWaalsContact O-CA 3.24Å; V878-C980 WeakPolarHBondContact O-CA 3.39Å; T879-C980 PolarHBondContact OG1-SG 3.04Å; C980-A1023 HydrophobicContact CB-CB 4.36Å; C980-L1026 HydrophobicContact CB-CD1 3.62Å; C980-L1026 VanDerWaalsContact SG-CD1 3.52Å
981	G	94.5	Very high	89.8	Confident	16 Å²	16	45 Å²	45	17%	0.165	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-175.8	174	0	0	0	0	0	112.3	V878	V878-G981 WeakPolarHBondContact CG2-O 3.5Å; V878-G981 PolarHBondContact N-O 3.44Å; V878-G981 PolarHBondContact O-N 3.3Å; V878-G981 VanDerWaalsContact O-N 3.13Å
982	S	95.5	Very high	89.7	Confident	73 Å²	73	43.1 Å²	43.1	51%	0.51	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	145.5	178.8	60.6	0	0	0	0	112.3	F875 E876 A1001	F875-S982 CarbonylContact O-C 3.54Å; F875-S982 VanDerWaalsContact O-CA 3.24Å; F875-S982 WeakPolarHBondContact O-CA 2.88Å; E876-S982 VanDerWaalsContact O-CA 3.28Å; E876-S982 WeakPolarHBondContact O-CA 3.24Å; E876-S982 VanDerWaalsContact O-CB 3.25Å; E876-S982 WeakPolarHBondContact O-CB 3.44Å; E876-S982 PolarHBondContact O-N 3.03Å; S982-A1001 WeakPolarHBondContact O-CB 3.2Å
983	V	95.6	Very high	89.4	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157	173.8	-60.1	0	0	0	0	110.8	F875 V878 I880 L936 L997 F998 A1001 V1002	F875-V983 HydrophobicContact CB-CG2 4.1Å; F875-V983 PolarHBondContact N-O 3.3Å; F875-V983 PolarHBondContact O-N 3.26Å; V878-V983 HydrophobicContact CG1-CG2 4.3Å; V878-V983 HydrophobicContact CG2-CB 4.31Å; V878-V983 HydrophobicContact CG2-CG1 3.82Å; V878-V983 HydrophobicContact CG2-CG2 3.54Å; I880-V983 HydrophobicContact CD1-CG1 3.62Å; I880-V983 HydrophobicContact CG1-CG1 4.46Å; L936-V983 HydrophobicContact CD2-CG2 3.52Å; V983-L997 HydrophobicContact CG2-CD2 4.46Å; V983-F998 CarbonylContact C-O 3.58Å; V983-F998 VanDerWaalsContact CA-O 3.31Å; V983-F998 WeakPolarHBondContact CA-O 3.4Å; V983-A1001 HydrophobicContact CG1-CB 4.15Å; V983-V1002 HydrophobicContact CG1-CG2 3.87Å
984	V	94.3	Very high	89.2	Confident	54 Å²	54	46.3 Å²	46.3	33%	0.327	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.2	164.5	179.9	0	0	0	0	107.5	P872 E873 T874 F998	P872-V984 HydrophobicContact CB-CG1 3.96Å; E873-V984 CarbonylContact O-C 3.58Å; E873-V984 WeakPolarHBondContact O-CA 3.24Å; T874-V984 HydrophobicContact CG2-CG2 4.46Å; V984-F998 PolarHBondContact N-O 2.91Å; V984-F998 PolarHBondContact O-N 3Å
985	A	92.2	Very high	89	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.5	177.4	0	0	0	0	0	110.9	P872 E873 F875 L936 Y995 C996 L997	P872-A985 CarbonylContact C-O 3.55Å; P872-A985 WeakPolarHBondContact CA-O 3.16Å; E873-A985 PolarHBondContact N-O 3.31Å; E873-A985 PolarHBondContact O-N 2.88Å; F875-A985 HydrophobicContact CD2-CB 4.08Å; F875-A985 HydrophobicContact CE2-CB 3.87Å; L936-A985 HydrophobicContact CD1-CB 4.37Å; L936-A985 HydrophobicContact CD2-CB 4.36Å; A985-Y995 HydrophobicContact CB-CE1 3.96Å; A985-Y995 HydrophobicContact CB-CE2 4.35Å; A985-Y995 WeakPolarHBondContact CB-OH 3.49Å; A985-C996 VanDerWaalsContact CA-O 3.29Å; A985-C996 WeakPolarHBondContact CA-O 3.4Å; A985-L997 HydrophobicContact CB-CD2 3.65Å
986	G	89.1	Confident	88.8	Confident	4 Å²	4	45.4 Å²	45.4	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	165.2	-179.1	0	0	0	0	0	113.2	C996	G986-C996 PolarHBondContact N-O 3.29Å; G986-C996 VanDerWaalsContact N-O 3.13Å; G986-C996 PolarHBondContact O-N 3.02Å
987	V	87.1	Confident	88.6	Confident	36 Å²	36	46.2 Å²	46.2	22%	0.218	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.1	177.6	179.1	0	0	0	0	110.8	V860 I870 P993 R994 Y995	V860-V987 HydrophobicContact CG1-CG2 3.39Å; I870-V987 HydrophobicContact CB-CG2 4.14Å; I870-V987 HydrophobicContact CD1-CG2 3.92Å; I870-V987 HydrophobicContact CG2-CG2 4.14Å; V987-P993 HydrophobicContact CG1-CB 3.35Å; V987-R994 CarbonylContact C-O 3.48Å; V987-R994 VanDerWaalsContact CA-O 3.27Å; V987-R994 WeakPolarHBondContact CA-O 3.24Å; V987-Y995 HydrophobicContact CG2-CD2 3.96Å
988	V	84.5	Confident	88.4	Confident	74 Å²	74	51.5 Å²	51.5	45%	0.448	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.6	177.1	-175.3	0	0	0	0	110.1	P993 R994 C996 F998	V988-P993 WeakPolarHBondContact O-CA 3.36Å; V988-R994 PolarHBondContact N-O 2.78Å; V988-R994 PolarHBondContact O-N 3.17Å; V988-C996 HydrophobicContact CG2-CB 4.22Å; V988-F998 HydrophobicContact CG2-CE2 4.1Å; V988-F998 HydrophobicContact CG2-CZ 3.94Å
989	G	78.6	Confident	88.1	Confident	43 Å²	43	53.1 Å²	53.1	44%	0.443	31%	0.31	S	S	.	.			trans	95.9	126.8	-179.2	0	0	0	0	0	112.6	P993	G989-P993 VanDerWaalsContact O-CA 3.29Å; G989-P993 WeakPolarHBondContact O-CA 3.05Å
990	L	72.6	Confident	87.9	Confident	181 Å²	181	56.9 Å²	56.9	95%	0.948	33%	0.33	S	S	*	.	S	Bend	trans	-81.6	-38.8	177.6	-66.3	173.6	0	0	0	112
991	T	73.9	Confident	87.8	Confident	147 Å²	147	57 Å²	57	90%	0.902	33%	0.331	S	S	*	.	S	Bend	trans	-85.4	-34.5	-175.7	-42.1	0	0	0	0	112.5
992	M	81	Confident	87.8	Confident	119 Å²	119	57.1 Å²	57.1	59%	0.586	33%	0.328	S	S	*	.	S	Bend	trans	-136.6	76.4	179.7	-173.6	-173.3	169	0	0	108.4	R994	M992-R994 VanDerWaalsContact CE-NH2 3.32Å; M992-R994 PolarHBondContact O-N 2.99Å
993	P	80.5	Confident	87.7	Confident	35 Å²	35	57.8 Å²	57.8	23%	0.227	33%	0.327	C	S	.	.			trans	-60.5	132.6	-175.9	22.4	-32.4	0	0	0	111.6	L856 L864 V987 V988 G989	L856-P993 HydrophobicContact CD1-CB 4.24Å; L856-P993 HydrophobicContact CD1-CG 4.03Å; L856-P993 WeakPolarHBondContact CD2-O 3.01Å; L864-P993 HydrophobicContact CD1-CB 4.13Å; L864-P993 HydrophobicContact CD1-CG 4.08Å; V987-P993 HydrophobicContact CG1-CB 3.35Å; V988-P993 WeakPolarHBondContact O-CA 3.36Å; G989-P993 VanDerWaalsContact O-CA 3.29Å; G989-P993 WeakPolarHBondContact O-CA 3.05Å
994	R	83.7	Confident	87.6	Confident	121 Å²	121	57.9 Å²	57.9	46%	0.457	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137	174.2	-60.4	-173.4	-170.6	-163.2	0.8	110.6	V987 V988 M992 C996	V987-R994 CarbonylContact C-O 3.48Å; V987-R994 VanDerWaalsContact CA-O 3.27Å; V987-R994 WeakPolarHBondContact CA-O 3.24Å; V988-R994 PolarHBondContact N-O 2.78Å; V988-R994 PolarHBondContact O-N 3.17Å; M992-R994 VanDerWaalsContact CE-NH2 3.32Å; M992-R994 PolarHBondContact O-N 2.99Å; R994-C996 PolarHBondContact O-N 3.44Å
995	Y	88.5	Confident	87.6	Confident	11 Å²	11	55.3 Å²	55.3	4%	0.043	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	95.4	176.2	-166	-113.2	0	0	0	110.1	P857 V860 Y921 L936 P937 A985 V987	P857-Y995 HydrophobicContact CG-CD1 3.92Å; P857-Y995 HydrophobicContact CG-CE1 4.45Å; P857-Y995 HydrophobicContact CG-CG 4.09Å; V860-Y995 HydrophobicContact CG2-CD2 3.98Å; V860-Y995 HydrophobicContact CG2-CE2 4.02Å; Y921-Y995 HydrophobicContact CD1-CD1 4.27Å; Y921-Y995 AromaticContact CE1-CD1 3.73Å; Y921-Y995 HydrophobicContact CE1-CD1 3.73Å; Y921-Y995 HydrophobicContact CE1-CG 4.5Å; L936-Y995 HydrophobicContact CD1-CD1 4.4Å; L936-Y995 HydrophobicContact CD1-CE1 3.68Å; P937-Y995 HydrophobicContact CB-CE1 3.97Å; A985-Y995 HydrophobicContact CB-CE1 3.96Å; A985-Y995 HydrophobicContact CB-CE2 4.35Å; A985-Y995 WeakPolarHBondContact CB-OH 3.49Å; V987-Y995 HydrophobicContact CG2-CD2 3.96Å
996	C	89.7	Confident	87.7	Confident	26 Å²	26	57.3 Å²	57.3	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	158	-170.1	-61.9	0	0	0	0	112.5	A985 G986 V988 R994 F998	A985-C996 VanDerWaalsContact CA-O 3.29Å; A985-C996 WeakPolarHBondContact CA-O 3.4Å; G986-C996 PolarHBondContact N-O 3.29Å; G986-C996 VanDerWaalsContact N-O 3.13Å; G986-C996 PolarHBondContact O-N 3.02Å; V988-C996 HydrophobicContact CG2-CB 4.22Å; R994-C996 PolarHBondContact O-N 3.44Å; C996-F998 HydrophobicContact CB-CE2 3.75Å; C996-F998 HydrophobicContact CB-CZ 3.8Å
997	L	91.9	Very high	87.9	Confident	17 Å²	17	60 Å²	60	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138	176.4	-56.5	-176	0	0	0	112.1	V923 V933 L936 V983 A985 V1002	V923-L997 HydrophobicContact CG1-CG 4.13Å; V923-L997 HydrophobicContact CG2-CD1 3.64Å; V923-L997 HydrophobicContact CG2-CG 3.97Å; V933-L997 HydrophobicContact CB-CD1 3.87Å; V933-L997 HydrophobicContact CG1-CD1 3.89Å; V933-L997 HydrophobicContact CG2-CD1 4.04Å; L936-L997 HydrophobicContact CD1-CD2 3.7Å; L936-L997 HydrophobicContact CD2-CD1 4.39Å; L936-L997 HydrophobicContact CD2-CD2 3.44Å; L936-L997 VanDerWaalsContact CD2-CD2 3.44Å; L936-L997 HydrophobicContact CG-CD2 4.24Å; V983-L997 HydrophobicContact CG2-CD2 4.46Å; A985-L997 HydrophobicContact CB-CD2 3.65Å; L997-V1002 HydrophobicContact CB-CG2 4.02Å
998	F	92.1	Very high	88.3	Confident	111 Å²	111	58.2 Å²	58.2	49%	0.487	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.4	178.2	-56.2	-82.4	0	0	0	110.5	V983 V984 V988 C996	V983-F998 CarbonylContact C-O 3.58Å; V983-F998 VanDerWaalsContact CA-O 3.31Å; V983-F998 WeakPolarHBondContact CA-O 3.4Å; V984-F998 PolarHBondContact N-O 2.91Å; V984-F998 PolarHBondContact O-N 3Å; V988-F998 HydrophobicContact CG2-CE2 4.1Å; V988-F998 HydrophobicContact CG2-CZ 3.94Å; C996-F998 HydrophobicContact CB-CE2 3.75Å; C996-F998 HydrophobicContact CB-CZ 3.8Å
999	G	91.5	Very high	88.8	Confident	34 Å²	34	55.6 Å²	55.6	35%	0.351	31%	0.306	S	S	.	.	S	Bend	trans	149.6	160.3	174.5	0	0	0	0	0	113	A1001 V1002	G999-A1001 PolarHBondContact O-N 3.17Å; G999-V1002 WeakPolarHBondContact O-CB 3.31Å; G999-V1002 PolarHBondContact O-N 2.79Å; G999-V1002 VanDerWaalsContact O-N 3.14Å
1000	D	92.8	Very high	89.4	Confident	85 Å²	85	56.5 Å²	56.5	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-24.7	178.2	-177.6	55.4	0	0	0	112.6	V1002 N1003 T1004 K1047	D1000-V1002 VanDerWaalsContact C-N 3.29Å; D1000-V1002 PolarHBondContact O-N 3.34Å; D1000-N1003 PolarHBondContact O-N 2.98Å; D1000-T1004 WeakPolarHBondContact O-CB 3.49Å; D1000-T1004 PolarHBondContact O-N 3.47Å; D1000-T1004 PolarHBondContact O-OG1 2.02Å; D1000-K1047 IonicContact OD1-NZ 3.16Å; D1000-K1047 VanDerWaalsContact OD2-CE 3.29Å; D1000-K1047 WeakPolarHBondContact OD2-CE 3.49Å; D1000-K1047 IonicContact OD2-NZ 3.35Å; D1000-K1047 PolarHBondContact OD2-NZ 3.11Å
1001	A	94	Very high	90.4	Very high	8 Å²	8	50.5 Å²	50.5	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-37	172.3	0	0	0	0	0	112.5	I880 N979 S982 V983 G999 T1004 A1005	I880-A1001 VanDerWaalsContact CD1-C 3.5Å; I880-A1001 HydrophobicContact CD1-CB 3.73Å; N979-A1001 PolarHBondContact ND2-O 2.85Å; N979-A1001 VanDerWaalsContact ND2-O 3.08Å; S982-A1001 WeakPolarHBondContact O-CB 3.2Å; V983-A1001 HydrophobicContact CG1-CB 4.15Å; G999-A1001 PolarHBondContact O-N 3.17Å; A1001-T1004 PolarHBondContact O-N 2.92Å; A1001-A1005 PolarHBondContact O-N 3.07Å
1002	V	93.8	Very high	91.2	Very high	17 Å²	17	44.1 Å²	44.1	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-48.6	176.8	-175.9	0	0	0	0	110	I880 F882 V983 L997 G999 D1000 T1004 A1005 S1006	I880-V1002 HydrophobicContact CD1-CB 4.34Å; I880-V1002 HydrophobicContact CD1-CG2 3.83Å; F882-V1002 HydrophobicContact CE2-CG1 3.83Å; F882-V1002 WeakPolarHBondContact CE2-O 3.34Å; F882-V1002 HydrophobicContact CZ-CG1 3.73Å; V983-V1002 HydrophobicContact CG1-CG2 3.87Å; L997-V1002 HydrophobicContact CB-CG2 4.02Å; G999-V1002 WeakPolarHBondContact O-CB 3.31Å; G999-V1002 PolarHBondContact O-N 2.79Å; G999-V1002 VanDerWaalsContact O-N 3.14Å; D1000-V1002 VanDerWaalsContact C-N 3.29Å; D1000-V1002 PolarHBondContact O-N 3.34Å; V1002-T1004 VanDerWaalsContact C-N 3.25Å; V1002-T1004 PolarHBondContact O-N 2.86Å; V1002-A1005 PolarHBondContact O-N 2.82Å; V1002-S1006 PolarHBondContact O-N 2.83Å
1003	N	93.3	Very high	91.8	Very high	88 Å²	88	43.7 Å²	43.7	47%	0.471	23%	0.233	S	C	.	.	H	α-helix	trans	-60.4	-36.9	177.1	-68.9	-38.5	0	0	0	112	D1000 R1007	D1000-N1003 PolarHBondContact O-N 2.98Å; N1003-R1007 WeakPolarHBondContact O-CD 3.47Å; N1003-R1007 WeakPolarHBondContact O-CG 3.33Å; N1003-R1007 PolarHBondContact O-N 3.16Å; N1003-R1007 VanDerWaalsContact O-N 3.14Å
1004	T	94	Very high	92.3	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-42.5	177.3	-53	0	0	0	0	111.4	N979 D1000 A1001 V1002 R1007 M1008 K1047 M1050	N979-T1004 HydrophobicContact CB-CG2 4.24Å; N979-T1004 WeakPolarHBondContact ND2-CB 3.25Å; D1000-T1004 WeakPolarHBondContact O-CB 3.49Å; D1000-T1004 PolarHBondContact O-N 3.47Å; D1000-T1004 PolarHBondContact O-OG1 2.02Å; A1001-T1004 PolarHBondContact O-N 2.92Å; V1002-T1004 VanDerWaalsContact C-N 3.25Å; V1002-T1004 PolarHBondContact O-N 2.86Å; T1004-R1007 WeakPolarHBondContact O-CB 3.24Å; T1004-R1007 PolarHBondContact O-N 3.06Å; T1004-R1007 VanDerWaalsContact O-N 3.15Å; T1004-M1008 WeakPolarHBondContact O-CG 3.41Å; T1004-M1008 PolarHBondContact O-N 3.21Å; T1004-K1047 WeakPolarHBondContact OG1-CE 3.46Å; T1004-K1047 PolarHBondContact OG1-NZ 3.34Å; T1004-M1050 HydrophobicContact CG2-CE 4.45Å
1005	A	94.6	Very high	92.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-45.9	176.3	0	0	0	0	0	112.1	I880 F882 N979 A1001 V1002 R1007 M1008 E1009	I880-A1005 HydrophobicContact CB-CB 3.82Å; I880-A1005 HydrophobicContact CG2-CB 3.67Å; F882-A1005 HydrophobicContact CD2-CB 3.51Å; F882-A1005 HydrophobicContact CE2-CB 3.84Å; N979-A1005 HydrophobicContact CB-CB 3.78Å; A1001-A1005 PolarHBondContact O-N 3.07Å; V1002-A1005 PolarHBondContact O-N 2.82Å; A1005-R1007 VanDerWaalsContact C-N 3.26Å; A1005-R1007 PolarHBondContact O-N 3.39Å; A1005-M1008 WeakPolarHBondContact O-CB 3.45Å; A1005-M1008 PolarHBondContact O-N 2.99Å; A1005-M1008 VanDerWaalsContact O-N 3.09Å; A1005-E1009 PolarHBondContact O-N 3.42Å; A1005-E1009 VanDerWaalsContact O-N 3.14Å
1006	S	93.8	Very high	93	Very high	43 Å²	43	45.6 Å²	45.6	30%	0.301	26%	0.255	S	S	.	.	H	α-helix	trans	-59.7	-35.9	174.1	171.8	0	0	0	0	112.5	V1002 E1009 S1010	V1002-S1006 PolarHBondContact O-N 2.83Å; S1006-E1009 PolarHBondContact O-N 3.34Å; S1006-S1010 PolarHBondContact O-N 2.91Å; S1006-S1010 PolarHBondContact O-OG 2.95Å
1007	R	94.1	Very high	93.3	Very high	60 Å²	60	44.4 Å²	44.4	23%	0.226	25%	0.247	C	C	.	.	H	α-helix	trans	-70.9	-31.1	175.1	-71	167.8	-169.5	174.2	-3.6	113.2	N1003 T1004 A1005 S1010 N1011 I1044 K1045	N1003-R1007 WeakPolarHBondContact O-CD 3.47Å; N1003-R1007 WeakPolarHBondContact O-CG 3.33Å; N1003-R1007 PolarHBondContact O-N 3.16Å; N1003-R1007 VanDerWaalsContact O-N 3.14Å; T1004-R1007 WeakPolarHBondContact O-CB 3.24Å; T1004-R1007 PolarHBondContact O-N 3.06Å; T1004-R1007 VanDerWaalsContact O-N 3.15Å; A1005-R1007 VanDerWaalsContact C-N 3.26Å; A1005-R1007 PolarHBondContact O-N 3.39Å; R1007-S1010 WeakPolarHBondContact CA-OG 3.43Å; R1007-S1010 PolarHBondContact O-OG 3.43Å; R1007-N1011 WeakPolarHBondContact O-CB 3.1Å; R1007-N1011 PolarHBondContact O-N 3.27Å; R1007-N1011 VanDerWaalsContact O-N 3.11Å; R1007-N1011 PolarHBondContact O-ND2 3.27Å; R1007-I1044 HydrophobicContact CB-CG2 3.71Å; R1007-I1044 HydrophobicContact CG-CG2 4.15Å; R1007-K1045 WeakPolarHBondContact CD-O 3.44Å; R1007-K1045 PolarHBondContact NE-O 3.11Å; R1007-K1045 VanDerWaalsContact NE-O 3.08Å; R1007-K1045 PolarHBondContact NH1-O 3.21Å; R1007-K1045 PolarHBondContact NH2-O 2.61Å
1008	M	95.2	Very high	93.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-40	171.5	-63	-60	93.6	0	0	110.7	T1004 A1005 G1012 H1018 I1044 T1052	T1004-M1008 WeakPolarHBondContact O-CG 3.41Å; T1004-M1008 PolarHBondContact O-N 3.21Å; A1005-M1008 WeakPolarHBondContact O-CB 3.45Å; A1005-M1008 PolarHBondContact O-N 2.99Å; A1005-M1008 VanDerWaalsContact O-N 3.09Å; M1008-G1012 PolarHBondContact O-N 3.01Å; M1008-G1012 VanDerWaalsContact O-N 3.12Å; M1008-H1018 HydrophobicContact CB-CB 4.45Å; M1008-H1018 WeakPolarHBondContact O-CB 3.33Å; M1008-H1018 PolarHBondContact O-ND1 3Å; M1008-I1044 HydrophobicContact CE-CD1 3.56Å; M1008-I1044 HydrophobicContact CE-CG1 3.75Å; M1008-I1044 HydrophobicContact CE-CG2 4.3Å; M1008-T1052 HydrophobicContact CE-CG2 4.33Å; M1008-T1052 HydrophobicContact SD-CG2 3.97Å
1009	E	94.6	Very high	93.8	Very high	18 Å²	18	38.3 Å²	38.3	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-55	175.9	175.8	-75	124.1	0	0	110.7	F882 D884 R975 G977 A1005 S1006 N1011 G1012	F882-E1009 HydrophobicContact CB-CB 3.72Å; F882-E1009 HydrophobicContact CB-CG 4.27Å; D884-E1009 HydrophobicContact CB-CG 4.12Å; D884-E1009 WeakPolarHBondContact CB-OE1 3.11Å; R975-E1009 HydrophobicContact CB-CG 4.29Å; R975-E1009 IonicContact CZ-OE1 3.74Å; R975-E1009 IonicContact NE-OE1 3.8Å; R975-E1009 PolarHBondContact NE-OE1 3.21Å; R975-E1009 IonicContact NH2-OE1 2.81Å; R975-E1009 PolarHBondContact NH2-OE1 3.18Å; R975-E1009 VanDerWaalsContact NH2-OE1 3.11Å; G977-E1009 VanDerWaalsContact CA-N 3.35Å; A1005-E1009 PolarHBondContact O-N 3.42Å; A1005-E1009 VanDerWaalsContact O-N 3.14Å; S1006-E1009 PolarHBondContact O-N 3.34Å; E1009-N1011 VanDerWaalsContact C-N 3.26Å; E1009-N1011 PolarHBondContact O-N 2.98Å; E1009-G1012 WeakPolarHBondContact O-CA 3.43Å; E1009-G1012 PolarHBondContact O-N 2.97Å
1010	S	91.8	Very high	94	Very high	63 Å²	63	36.7 Å²	36.7	44%	0.441	20%	0.203	S	C	.	.	H	α-helix	trans	-66.5	-24.4	-173.2	51.8	0	0	0	0	114.1	S1006 R1007	S1006-S1010 PolarHBondContact O-N 2.91Å; S1006-S1010 PolarHBondContact O-OG 2.95Å; R1007-S1010 WeakPolarHBondContact CA-OG 3.43Å; R1007-S1010 PolarHBondContact O-OG 3.43Å
1011	N	93.2	Very high	94.1	Very high	55 Å²	55	34.3 Å²	34.3	29%	0.294	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	0.3	171.8	-69.9	-88.7	0	0	0	113	R1007 E1009 R1039 I1044	R1007-N1011 WeakPolarHBondContact O-CB 3.1Å; R1007-N1011 PolarHBondContact O-N 3.27Å; R1007-N1011 VanDerWaalsContact O-N 3.11Å; R1007-N1011 PolarHBondContact O-ND2 3.27Å; E1009-N1011 VanDerWaalsContact C-N 3.26Å; E1009-N1011 PolarHBondContact O-N 2.98Å; N1011-R1039 VanDerWaalsContact O-CZ 3.26Å; N1011-R1039 PolarHBondContact O-NH1 3.31Å; N1011-R1039 PolarHBondContact O-NH2 2.98Å; N1011-I1044 HydrophobicContact CB-CD1 3.92Å
1012	G	91.2	Very high	94.1	Very high	12 Å²	12	38.9 Å²	38.9	12%	0.124	21%	0.213	C	C	.	.	S	Bend	trans	-71.3	175.1	179	0	0	0	0	0	113.4	M1008 E1009	M1008-G1012 PolarHBondContact O-N 3.01Å; M1008-G1012 VanDerWaalsContact O-N 3.12Å; E1009-G1012 WeakPolarHBondContact O-CA 3.43Å; E1009-G1012 PolarHBondContact O-N 2.97Å
1013	K	92.8	Very high	94.2	Very high	110 Å²	110	38.1 Å²	38.1	48%	0.478	21%	0.208	S	C	.	.			trans	-111.3	145.3	174.9	-73	-176.3	178.2	-178.9	0	109.9	G1015 R1016 W1054	K1013-G1015 PolarHBondContact O-N 2.77Å; K1013-R1016 HydrophobicContact CB-CB 4.35Å; K1013-R1016 HydrophobicContact CB-CG 4.29Å; K1013-R1016 PolarHBondContact O-N 2.85Å; K1013-R1016 VanDerWaalsContact O-N 3.08Å; K1013-W1054 HydrophobicContact CB-CH2 3.88Å; K1013-W1054 HydrophobicContact CB-CZ2 4.41Å; K1013-W1054 HydrophobicContact CB-CZ3 4.45Å; K1013-W1054 HydrophobicContact CD-CH2 4.28Å; K1013-W1054 HydrophobicContact CD-CZ2 3.98Å; K1013-W1054 HydrophobicContact CG-CH2 3.82Å; K1013-W1054 HydrophobicContact CG-CZ2 4.02Å
1014	P	92.5	Very high	94.3	Very high	71 Å²	71	34.4 Å²	34.4	46%	0.461	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	132.2	172.6	-31	37.9	0	0	0	112.5	V886 N973 R1016	V886-P1014 HydrophobicContact CG1-CB 4.2Å; V886-P1014 HydrophobicContact CG1-CG 3.9Å; V886-P1014 HydrophobicContact CG2-CB 3.8Å; V886-P1014 HydrophobicContact CG2-CG 3.91Å; N973-P1014 HydrophobicContact CB-CB 4.49Å; P1014-R1016 VanDerWaalsContact C-N 3.28Å; P1014-R1016 PolarHBondContact O-N 3.49Å
1015	G	91.9	Very high	94.3	Very high	32 Å²	32	39.1 Å²	39.1	33%	0.33	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	14.7	179.8	0	0	0	0	0	114.7	L974 K1013	L974-G1015 WeakPolarHBondContact O-CA 3.34Å; L974-G1015 PolarHBondContact O-N 3.3Å; K1013-G1015 PolarHBondContact O-N 2.77Å
1016	R	94.1	Very high	94.3	Very high	104 Å²	104	39.8 Å²	39.8	39%	0.392	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154.3	179.1	-60.3	-162	178.4	-144.9	-2.9	112.2	I976 K1013 P1014 W1054	I976-R1016 PolarHBondContact N-O 3.02Å; K1013-R1016 HydrophobicContact CB-CB 4.35Å; K1013-R1016 HydrophobicContact CB-CG 4.29Å; K1013-R1016 PolarHBondContact O-N 2.85Å; K1013-R1016 VanDerWaalsContact O-N 3.08Å; P1014-R1016 VanDerWaalsContact C-N 3.28Å; P1014-R1016 PolarHBondContact O-N 3.49Å; R1016-W1054 HydrophobicContact CB-CD2 4.43Å; R1016-W1054 HydrophobicContact CB-CE3 3.59Å; R1016-W1054 HydrophobicContact CB-CH2 4.4Å; R1016-W1054 HydrophobicContact CB-CZ3 3.56Å; R1016-W1054 HydrophobicContact CG-CE3 4.42Å
1017	I	96.8	Very high	94.3	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.2	177.6	-59.2	162.6	0	0	0	108.5	L953 L956 I976 I978 V1019 W1054 L1055	L953-I1017 HydrophobicContact CD2-CD1 3.8Å; L953-I1017 HydrophobicContact CG-CD1 4.14Å; L956-I1017 HydrophobicContact CD1-CD1 3.89Å; L956-I1017 HydrophobicContact CD1-CG1 3.67Å; L956-I1017 HydrophobicContact CG-CG1 4.47Å; I976-I1017 HydrophobicContact CB-CB 4.44Å; I976-I1017 HydrophobicContact CB-CG1 4.08Å; I976-I1017 HydrophobicContact CB-CG2 4.44Å; I976-I1017 HydrophobicContact CD1-CG1 4.03Å; I976-I1017 HydrophobicContact CG2-CB 4.43Å; I976-I1017 HydrophobicContact CG2-CG1 4.21Å; I976-I1017 HydrophobicContact CG2-CG2 3.93Å; I978-I1017 HydrophobicContact CD1-CG2 3.32Å; I978-I1017 HydrophobicContact CG1-CG2 3.93Å; I1017-V1019 HydrophobicContact CG2-CG2 4Å; I1017-W1054 WeakPolarHBondContact O-CA 3.44Å; I1017-L1055 HydrophobicContact CB-CB 4.02Å; I1017-L1055 HydrophobicContact CD1-CD2 4.08Å; I1017-L1055 HydrophobicContact CD1-CG 4.4Å; I1017-L1055 HydrophobicContact CG2-CB 3.9Å; I1017-L1055 HydrophobicContact CG2-CD2 4.13Å; I1017-L1055 PolarHBondContact O-N 3.2Å
1018	H	97.2	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.8	179.8	-166.7	-160	0	0	0	110.2	I976 G977 I978 M1008 R1039 T1052 W1054	I976-H1018 PolarHBondContact O-N 3.19Å; G977-H1018 CarbonylContact C-O 3.57Å; G977-H1018 WeakPolarHBondContact CA-O 3.41Å; I978-H1018 PolarHBondContact N-O 3.23Å; M1008-H1018 HydrophobicContact CB-CB 4.45Å; M1008-H1018 WeakPolarHBondContact O-CB 3.33Å; M1008-H1018 PolarHBondContact O-ND1 3Å; H1018-R1039 PolarHBondContact CE1-NH1 3.24Å; H1018-R1039 PolarHBondContact ND1-NH1 3.4Å; H1018-R1039 PolarHBondContact NE2-NH1 2.96Å; H1018-R1039 VanDerWaalsContact NE2-NH1 3.13Å; H1018-T1052 WeakPolarHBondContact NE2-CB 3.04Å; H1018-T1052 PolarHBondContact NE2-OG1 3.19Å; H1018-W1054 HydrophobicContact CB-CE3 4.19Å; H1018-W1054 HydrophobicContact CB-CH2 4.29Å; H1018-W1054 HydrophobicContact CB-CZ3 3.62Å
1019	V	96.7	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.2	-170.7	-170.7	0	0	0	0	110.3	I978 I1017 A1023 N1024 L1027 Y1053 L1055	I978-V1019 HydrophobicContact CB-CG1 4.48Å; I978-V1019 HydrophobicContact CB-CG2 4.33Å; I978-V1019 HydrophobicContact CD1-CG2 4.37Å; I1017-V1019 HydrophobicContact CG2-CG2 4Å; V1019-A1023 HydrophobicContact CG1-CB 3.35Å; V1019-N1024 HydrophobicContact CG1-CB 4.41Å; V1019-L1027 HydrophobicContact CG1-CD1 4.06Å; V1019-Y1053 PolarHBondContact N-O 3.32Å; V1019-Y1053 PolarHBondContact O-N 3.38Å; V1019-L1055 HydrophobicContact CG2-CB 3.83Å
1020	S	96	Very high	93.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	165.7	173.2	68.1	0	0	0	0	112.9	I978 N979 E1022 A1023 N1024	I978-S1020 PolarHBondContact O-N 3.42Å; I978-S1020 VanDerWaalsContact O-N 3.14Å; N979-S1020 WeakPolarHBondContact OD1-CB 3.4Å; N979-S1020 PolarHBondContact OD1-OG 2.9Å; S1020-E1022 VanDerWaalsContact C-N 3.32Å; S1020-E1022 PolarHBondContact O-N 3.08Å; S1020-A1023 PolarHBondContact O-N 3.47Å; S1020-A1023 WeakPolarHBondContact OG-CB 3.05Å; S1020-A1023 PolarHBondContact OG-N 2.69Å; S1020-N1024 WeakPolarHBondContact O-CB 3.4Å; S1020-N1024 PolarHBondContact O-N 3.36Å
1021	S	94.7	Very high	93.5	Very high	35 Å²	35	44.8 Å²	44.8	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-43.1	176.6	-68.7	0	0	0	0	113	N1024 H1025 N1051	S1021-N1024 PolarHBondContact O-N 2.73Å; S1021-H1025 PolarHBondContact O-N 2.79Å; S1021-N1051 PolarHBondContact OG-O 2.83Å
1022	E	93.5	Very high	93.2	Very high	104 Å²	104	43.2 Å²	43.2	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-66	-44.4	-179.1	-67	70.6	-156.1	0	0	111.2	S1020 H1025 L1026	S1020-E1022 VanDerWaalsContact C-N 3.32Å; S1020-E1022 PolarHBondContact O-N 3.08Å; E1022-H1025 PolarHBondContact O-N 3.38Å; E1022-L1026 PolarHBondContact O-N 3.16Å; E1022-L1026 VanDerWaalsContact O-N 3.1Å
1023	A	95.7	Very high	93	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.1	-37.5	176.6	0	0	0	0	0	111.8	I945 I978 C980 V1019 S1020 L1026 L1027	I945-A1023 HydrophobicContact CD1-CB 4.08Å; I978-A1023 HydrophobicContact CG2-CB 4.21Å; C980-A1023 HydrophobicContact CB-CB 4.36Å; V1019-A1023 HydrophobicContact CG1-CB 3.35Å; S1020-A1023 PolarHBondContact O-N 3.47Å; S1020-A1023 WeakPolarHBondContact OG-CB 3.05Å; S1020-A1023 PolarHBondContact OG-N 2.69Å; A1023-L1026 PolarHBondContact O-N 2.95Å; A1023-L1027 WeakPolarHBondContact O-CB 3.08Å; A1023-L1027 WeakPolarHBondContact O-CG 3.34Å; A1023-L1027 PolarHBondContact O-N 3.48Å
1024	N	95.6	Very high	93	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.059	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174	-178.9	63	0	0	0	111.8	V1019 S1020 S1021 L1026 L1027 T1028 T1036 Y1053	V1019-N1024 HydrophobicContact CG1-CB 4.41Å; S1020-N1024 WeakPolarHBondContact O-CB 3.4Å; S1020-N1024 PolarHBondContact O-N 3.36Å; S1021-N1024 PolarHBondContact O-N 2.73Å; N1024-L1026 VanDerWaalsContact C-N 3.3Å; N1024-L1026 PolarHBondContact O-N 3.12Å; N1024-L1027 PolarHBondContact O-N 3.16Å; N1024-T1028 PolarHBondContact O-N 2.93Å; N1024-T1028 PolarHBondContact O-OG1 2.66Å; N1024-T1028 VanDerWaalsContact O-OG1 3.05Å; N1024-T1036 WeakPolarHBondContact OD1-CB 3.31Å; N1024-T1036 VanDerWaalsContact OD1-CG2 3.27Å; N1024-T1036 WeakPolarHBondContact OD1-CG2 3.22Å; N1024-T1036 PolarHBondContact OD1-OG1 3.09Å; N1024-Y1053 HydrophobicContact CB-CD1 4.49Å; N1024-Y1053 HydrophobicContact CB-CD2 3.36Å; N1024-Y1053 HydrophobicContact CB-CE2 3.89Å; N1024-Y1053 HydrophobicContact CB-CG 3.73Å; N1024-Y1053 VanDerWaalsContact CG-CD2 3.45Å; N1024-Y1053 WeakPolarHBondContact ND2-CD1 3.46Å; N1024-Y1053 WeakPolarHBondContact ND2-CE1 3.49Å; N1024-Y1053 WeakPolarHBondContact ND2-CE2 3.5Å
1025	H	94.7	Very high	93	Very high	101 Å²	101	41 Å²	41	47%	0.468	22%	0.22	S	C	.	.	H	α-helix	trans	-57.9	-43.8	176.1	-178.9	70.7	0	0	0	111.6	S1021 E1022 H1029 V1030	S1021-H1025 PolarHBondContact O-N 2.79Å; E1022-H1025 PolarHBondContact O-N 3.38Å; H1025-H1029 AromaticContact ND1-CG 3.75Å; H1025-H1029 AromaticContact ND1-ND1 3.5Å; H1025-H1029 WeakPolarHBondContact O-CA 3.37Å; H1025-H1029 WeakPolarHBondContact O-CB 3.32Å; H1025-H1029 PolarHBondContact O-N 2.03Å; H1025-V1030 PolarHBondContact O-N 3.22Å
1026	L	94.1	Very high	93.2	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.073	22%	0.215	C	C	.	.	I	π-helix	trans	-64.2	-41.7	175.8	-75	166	0	0	0	112.6	L877 I945 C980 E1022 A1023 N1024 V1030 V1031	L877-L1026 HydrophobicContact CD1-CD1 4.42Å; L877-L1026 HydrophobicContact CD2-CD1 4.28Å; L877-L1026 HydrophobicContact CD2-CD2 4.43Å; I945-L1026 HydrophobicContact CB-CB 4.38Å; I945-L1026 HydrophobicContact CG1-CB 4.14Å; I945-L1026 HydrophobicContact CG2-CB 4.17Å; C980-L1026 HydrophobicContact CB-CD1 3.62Å; C980-L1026 VanDerWaalsContact SG-CD1 3.52Å; E1022-L1026 PolarHBondContact O-N 3.16Å; E1022-L1026 VanDerWaalsContact O-N 3.1Å; A1023-L1026 PolarHBondContact O-N 2.95Å; N1024-L1026 VanDerWaalsContact C-N 3.3Å; N1024-L1026 PolarHBondContact O-N 3.12Å; L1026-V1030 HydrophobicContact CD2-CB 3.98Å; L1026-V1030 HydrophobicContact CD2-CG1 4.05Å; L1026-V1030 HydrophobicContact CD2-CG2 3.95Å; L1026-V1030 PolarHBondContact O-N 2.91Å; L1026-V1031 PolarHBondContact O-N 3.3Å
1027	L	93.6	Very high	93.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-65.6	-43.6	178.5	-79.1	168.8	0	0	0	113.3	I945 A949 V1019 A1023 N1024 G1032 F1034 L1055	I945-L1027 HydrophobicContact CD1-CD1 4.23Å; I945-L1027 HydrophobicContact CD1-CD2 4.19Å; I945-L1027 HydrophobicContact CD1-CG 3.93Å; I945-L1027 HydrophobicContact CG1-CD1 4.37Å; I945-L1027 HydrophobicContact CG1-CD2 3.63Å; I945-L1027 HydrophobicContact CG1-CG 3.53Å; A949-L1027 HydrophobicContact CB-CD2 3.65Å; V1019-L1027 HydrophobicContact CG1-CD1 4.06Å; A1023-L1027 WeakPolarHBondContact O-CB 3.08Å; A1023-L1027 WeakPolarHBondContact O-CG 3.34Å; A1023-L1027 PolarHBondContact O-N 3.48Å; N1024-L1027 PolarHBondContact O-N 3.16Å; L1027-G1032 CarbonylContact O-C 3.54Å; L1027-G1032 WeakPolarHBondContact O-CA 3.32Å; L1027-G1032 PolarHBondContact O-N 2.87Å; L1027-F1034 HydrophobicContact CB-CB 4.43Å; L1027-F1034 HydrophobicContact CD2-CB 4.17Å; L1027-F1034 HydrophobicContact CD2-CD1 4.42Å; L1027-F1034 HydrophobicContact CD2-CD2 3.53Å; L1027-F1034 HydrophobicContact CD2-CE2 3.98Å; L1027-F1034 HydrophobicContact CD2-CG 3.78Å; L1027-L1055 HydrophobicContact CD1-CD1 4.41Å
1028	T	90.9	Very high	93.1	Very high	44 Å²	44	46.7 Å²	46.7	27%	0.27	25%	0.245	S	C	.	.	I	π-helix	trans	-96.4	-37.6	-170.3	64.2	0	0	0	0	113.4	N1024 T1036	N1024-T1028 PolarHBondContact O-N 2.93Å; N1024-T1028 PolarHBondContact O-OG1 2.66Å; N1024-T1028 VanDerWaalsContact O-OG1 3.05Å; T1028-T1036 HydrophobicContact CG2-CG2 4.02Å; T1028-T1036 WeakPolarHBondContact CG2-OG1 3.48Å
1029	H	89.4	Confident	92.8	Very high	140 Å²	140	50.1 Å²	50.1	65%	0.648	26%	0.258	S	S	*	.	I	π-helix	trans	-104.6	-28.1	-172.2	-60	90.6	0	0	0	114	H1025	H1025-H1029 AromaticContact ND1-CG 3.75Å; H1025-H1029 AromaticContact ND1-ND1 3.5Å; H1025-H1029 WeakPolarHBondContact O-CA 3.37Å; H1025-H1029 WeakPolarHBondContact O-CB 3.32Å; H1025-H1029 PolarHBondContact O-N 2.03Å
1030	V	90	Very high	92.5	Very high	62 Å²	62	51 Å²	51	38%	0.376	27%	0.267	S	S	.	.	I	π-helix	trans	-98.9	-57.5	-174.5	-177.1	0	0	0	0	112.1	H942 H1025 L1026	H942-V1030 HydrophobicContact CB-CG1 4.24Å; H942-V1030 WeakPolarHBondContact ND1-CG1 3.45Å; H1025-V1030 PolarHBondContact O-N 3.22Å; L1026-V1030 HydrophobicContact CD2-CB 3.98Å; L1026-V1030 HydrophobicContact CD2-CG1 4.05Å; L1026-V1030 HydrophobicContact CD2-CG2 3.95Å; L1026-V1030 PolarHBondContact O-N 2.91Å
1031	V	89.6	Confident	92.2	Very high	44 Å²	44	58.6 Å²	58.6	27%	0.267	30%	0.303	S	S	.	.	S	Bend	trans	-88	-39	177	-177.8	0	0	0	0	111.2	H942 I945 K946 L1026	H942-V1031 HydrophobicContact CB-CG2 4.02Å; H942-V1031 WeakPolarHBondContact O-CG2 3.46Å; I945-V1031 HydrophobicContact CG2-CB 4.29Å; I945-V1031 HydrophobicContact CG2-CG2 3.59Å; K946-V1031 HydrophobicContact CB-CG1 4.17Å; K946-V1031 HydrophobicContact CD-CG1 4.16Å; L1026-V1031 PolarHBondContact O-N 3.3Å
1032	G	86.2	Confident	91.9	Very high	22 Å²	22	57.9 Å²	57.9	23%	0.227	30%	0.297	C	S	.	.			trans	71.1	-179.2	-177.7	0	0	0	0	0	113.5	L1027 F1034	L1027-G1032 CarbonylContact O-C 3.54Å; L1027-G1032 WeakPolarHBondContact O-CA 3.32Å; L1027-G1032 PolarHBondContact O-N 2.87Å; G1032-F1034 WeakPolarHBondContact O-CD2 3.42Å
1033	G	87.6	Confident	91.8	Very high	32 Å²	32	59.2 Å²	59.2	33%	0.33	31%	0.306	S	S	.	.			trans	86.4	-0.4	174.6	0	0	0	0	0	115.8	E1058 N1059	G1033-E1058 CarbonylContact O-C 3.47Å; G1033-E1058 WeakPolarHBondContact O-CA 3.15Å; G1033-E1058 WeakPolarHBondContact O-CG 3.3Å; G1033-N1059 PolarHBondContact O-N 3.13Å
1034	F	92.9	Very high	91.5	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.035	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.9	177.9	-64.5	-87.4	0	0	0	112.1	K946 A949 R950 L953 L1027 G1032 L1055 G1057 E1058	K946-F1034 HydrophobicContact CB-CE2 4.29Å; K946-F1034 HydrophobicContact CB-CZ 4.5Å; K946-F1034 HydrophobicContact CG-CE2 4.09Å; K946-F1034 HydrophobicContact CG-CZ 4.07Å; A949-F1034 HydrophobicContact CB-CD1 4.11Å; A949-F1034 HydrophobicContact CB-CE1 3.65Å; A949-F1034 HydrophobicContact CB-CE2 4.43Å; A949-F1034 HydrophobicContact CB-CZ 3.84Å; R950-F1034 HydrophobicContact CG-CE1 4.31Å; R950-F1034 HydrophobicContact CG-CZ 4.11Å; L953-F1034 HydrophobicContact CD1-CD1 4.38Å; L953-F1034 HydrophobicContact CD1-CE1 4.23Å; L1027-F1034 HydrophobicContact CB-CB 4.43Å; L1027-F1034 HydrophobicContact CD2-CB 4.17Å; L1027-F1034 HydrophobicContact CD2-CD1 4.42Å; L1027-F1034 HydrophobicContact CD2-CD2 3.53Å; L1027-F1034 HydrophobicContact CD2-CE2 3.98Å; L1027-F1034 HydrophobicContact CD2-CG 3.78Å; G1032-F1034 WeakPolarHBondContact O-CD2 3.42Å; F1034-L1055 HydrophobicContact CB-CD1 3.85Å; F1034-L1055 HydrophobicContact CD1-CD1 3.99Å; F1034-L1055 HydrophobicContact CG-CD1 4.28Å; F1034-G1057 WeakPolarHBondContact CA-O 3.19Å; F1034-E1058 HydrophobicContact CD1-CB 4.49Å; F1034-E1058 HydrophobicContact CD1-CG 4Å; F1034-E1058 HydrophobicContact CE1-CG 3.81Å; F1034-E1058 HydrophobicContact CZ-CG 4.23Å
1035	R	93.1	Very high	91	Very high	106 Å²	106	67.2 Å²	67.2	40%	0.4	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.3	173.7	-67.8	-175.5	-75.4	-154.8	-14.3	110	L1056 G1057 E1058 N1059 D1060	R1035-L1056 HydrophobicContact CB-CB 4.25Å; R1035-L1056 PolarHBondContact O-N 2.81Å; R1035-G1057 PolarHBondContact N-O 3.17Å; R1035-E1058 PolarHBondContact NE-O 3.11Å; R1035-E1058 PolarHBondContact NH2-O 3.33Å; R1035-N1059 WeakPolarHBondContact CD-OD1 3.48Å; R1035-N1059 WeakPolarHBondContact CG-OD1 2.74Å; R1035-D1060 IonicContact CZ-OD2 3.01Å; R1035-D1060 IonicContact NH1-OD2 3.79Å; R1035-D1060 PolarHBondContact NH1-OD2 3.04Å; R1035-D1060 IonicContact NH2-OD1 2.7Å; R1035-D1060 IonicContact NH2-OD2 2.93Å; R1035-D1060 PolarHBondContact NH2-OD2 3.14Å
1036	T	94.2	Very high	90.4	Very high	37 Å²	37	65.8 Å²	65.8	23%	0.227	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.1	174	62.7	0	0	0	0	111.1	N1024 T1028 W1054 L1055	N1024-T1036 WeakPolarHBondContact OD1-CB 3.31Å; N1024-T1036 VanDerWaalsContact OD1-CG2 3.27Å; N1024-T1036 WeakPolarHBondContact OD1-CG2 3.22Å; N1024-T1036 PolarHBondContact OD1-OG1 3.09Å; T1028-T1036 HydrophobicContact CG2-CG2 4.02Å; T1028-T1036 WeakPolarHBondContact CG2-OG1 3.48Å; T1036-W1054 CarbonylContact C-O 3.56Å; T1036-W1054 WeakPolarHBondContact CA-O 3.49Å; T1036-W1054 WeakPolarHBondContact CB-O 2.92Å; T1036-L1055 HydrophobicContact CG2-CD1 4.12Å
1037	E	94.7	Very high	90	Very high	99 Å²	99	69.1 Å²	69.1	46%	0.463	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.9	176.9	179.4	-173.8	-170.1	0	0	109	R1039 Y1053 W1054 L1056	E1037-R1039 PolarHBondContact O-N 3.48Å; E1037-Y1053 CarbonylContact O-C 3.55Å; E1037-Y1053 VanDerWaalsContact O-CA 3.27Å; E1037-Y1053 WeakPolarHBondContact O-CA 3.29Å; E1037-W1054 HydrophobicContact CB-CB 4.48Å; E1037-W1054 PolarHBondContact N-O 2.95Å; E1037-W1054 PolarHBondContact O-N 3.08Å; E1037-L1056 HydrophobicContact CB-CD1 3.9Å; E1037-L1056 HydrophobicContact CB-CD2 4.41Å; E1037-L1056 HydrophobicContact CB-CG 4.22Å
1038	E	94.4	Very high	89.8	Confident	121 Å²	121	70.9 Å²	70.9	57%	0.565	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.2	175.8	-175.2	171.5	-167.6	0	0	110.4	N1051 Y1053	E1038-N1051 PolarHBondContact OE1-ND2 2.51Å; E1038-N1051 PolarHBondContact OE1-OD1 2.88Å; E1038-Y1053 HydrophobicContact CB-CD1 4.21Å; E1038-Y1053 HydrophobicContact CB-CE1 4.11Å; E1038-Y1053 HydrophobicContact CG-CE1 4.25Å
1039	R	91.5	Very high	89.7	Confident	72 Å²	72	73 Å²	73	27%	0.272	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-29.5	172	179.6	-177.1	171.6	179.5	-3.1	111.2	N1011 H1018 E1037 V1042 T1052 W1054	N1011-R1039 VanDerWaalsContact O-CZ 3.26Å; N1011-R1039 PolarHBondContact O-NH1 3.31Å; N1011-R1039 PolarHBondContact O-NH2 2.98Å; H1018-R1039 PolarHBondContact CE1-NH1 3.24Å; H1018-R1039 PolarHBondContact ND1-NH1 3.4Å; H1018-R1039 PolarHBondContact NE2-NH1 2.96Å; H1018-R1039 VanDerWaalsContact NE2-NH1 3.13Å; E1037-R1039 PolarHBondContact O-N 3.48Å; R1039-V1042 HydrophobicContact CG-CG2 4.29Å; R1039-T1052 VanDerWaalsContact CB-O 3.3Å; R1039-T1052 WeakPolarHBondContact CB-O 3.31Å; R1039-T1052 PolarHBondContact N-O 2.83Å; R1039-W1054 VanDerWaalsContact CD-CZ2 3.43Å; R1039-W1054 HydrophobicContact CG-CZ2 3.94Å
1040	G	89.6	Confident	89.8	Confident	20 Å²	20	67.5 Å²	67.5	21%	0.206	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.6	-172.8	-170.8	0	0	0	0	0	112.8	V1042 N1051 T1052	G1040-V1042 PolarHBondContact O-N 3.2Å; G1040-N1051 VanDerWaalsContact C-OD1 3.23Å; G1040-N1051 WeakPolarHBondContact CA-OD1 3.35Å; G1040-N1051 PolarHBondContact O-OD1 3.12Å; G1040-T1052 PolarHBondContact O-N 3.25Å
1041	E	90.4	Very high	89.9	Confident	159 Å²	159	66.5 Å²	66.5	74%	0.743	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.1	-177.7	-72.6	-171.8	156.9	0	0	112.4	V1049 M1050	E1041-V1049 HydrophobicContact CB-CG1 3.58Å; E1041-V1049 HydrophobicContact CG-CG1 3.79Å; E1041-M1050 WeakPolarHBondContact CA-O 3.29Å
1042	V	89.4	Confident	90.2	Very high	19 Å²	19	64.4 Å²	64.4	12%	0.115	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.3	177.9	-175.3	0	0	0	0	109	R1039 G1040 I1044 M1050	R1039-V1042 HydrophobicContact CG-CG2 4.29Å; G1040-V1042 PolarHBondContact O-N 3.2Å; V1042-I1044 HydrophobicContact CB-CD1 4.45Å; V1042-I1044 HydrophobicContact CG1-CD1 3.88Å; V1042-I1044 HydrophobicContact CG1-CG1 4.44Å; V1042-I1044 PolarHBondContact O-N 3.19Å; V1042-M1050 PolarHBondContact N-O 3.37Å; V1042-M1050 PolarHBondContact O-N 3.13Å
1043	I	90.4	Very high	90.7	Very high	132 Å²	132	65.5 Å²	65.5	68%	0.677	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	108.3	174	-59	172.4	0	0	0	108.4	V1049	I1043-V1049 HydrophobicContact CG1-CG2 4.17Å
1044	I	88.4	Confident	91.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.9	178.5	-63.1	-63.1	0	0	0	107.9	R1007 M1008 N1011 V1042 G1046 K1047 G1048 M1050	R1007-I1044 HydrophobicContact CB-CG2 3.71Å; R1007-I1044 HydrophobicContact CG-CG2 4.15Å; M1008-I1044 HydrophobicContact CE-CD1 3.56Å; M1008-I1044 HydrophobicContact CE-CG1 3.75Å; M1008-I1044 HydrophobicContact CE-CG2 4.3Å; N1011-I1044 HydrophobicContact CB-CD1 3.92Å; V1042-I1044 HydrophobicContact CB-CD1 4.45Å; V1042-I1044 HydrophobicContact CG1-CD1 3.88Å; V1042-I1044 HydrophobicContact CG1-CG1 4.44Å; V1042-I1044 PolarHBondContact O-N 3.19Å; I1044-G1046 PolarHBondContact O-N 2.91Å; I1044-K1047 HydrophobicContact CB-CB 4.09Å; I1044-K1047 HydrophobicContact CG2-CB 3.99Å; I1044-K1047 HydrophobicContact CG2-CG 4.08Å; I1044-K1047 PolarHBondContact O-N 3.1Å; I1044-G1048 PolarHBondContact N-O 3.07Å; I1044-G1048 PolarHBondContact O-N 2.92Å; I1044-G1048 VanDerWaalsContact O-N 3.1Å; I1044-M1050 HydrophobicContact CB-CG 4.48Å; I1044-M1050 HydrophobicContact CB-SD 4.02Å; I1044-M1050 HydrophobicContact CG1-CB 4.34Å; I1044-M1050 HydrophobicContact CG1-CG 4.4Å; I1044-M1050 HydrophobicContact CG1-SD 4.03Å; I1044-M1050 HydrophobicContact CG2-SD 4.24Å
1045	K	85.1	Confident	91.3	Very high	180 Å²	180	64.6 Å²	64.6	78%	0.783	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	113.9	-175.9	-179.6	-170.5	-174.7	178.6	0	109.4	R1007	R1007-K1045 WeakPolarHBondContact CD-O 3.44Å; R1007-K1045 PolarHBondContact NE-O 3.11Å; R1007-K1045 VanDerWaalsContact NE-O 3.08Å; R1007-K1045 PolarHBondContact NH1-O 3.21Å; R1007-K1045 PolarHBondContact NH2-O 2.61Å
1046	G	84	Confident	91.3	Very high	71 Å²	71	64.1 Å²	64.1	73%	0.732	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	0.3	176.8	0	0	0	0	0	115.9	I1044	I1044-G1046 PolarHBondContact O-N 2.91Å
1047	K	85.7	Confident	91.2	Very high	84 Å²	84	62.8 Å²	62.8	37%	0.365	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-16.8	164.7	-69.8	-71	-172.4	165.2	0	113.7	D1000 T1004 I1044 M1050	D1000-K1047 IonicContact OD1-NZ 3.16Å; D1000-K1047 VanDerWaalsContact OD2-CE 3.29Å; D1000-K1047 WeakPolarHBondContact OD2-CE 3.49Å; D1000-K1047 IonicContact OD2-NZ 3.35Å; D1000-K1047 PolarHBondContact OD2-NZ 3.11Å; T1004-K1047 WeakPolarHBondContact OG1-CE 3.46Å; T1004-K1047 PolarHBondContact OG1-NZ 3.34Å; I1044-K1047 HydrophobicContact CB-CB 4.09Å; I1044-K1047 HydrophobicContact CG2-CB 3.99Å; I1044-K1047 HydrophobicContact CG2-CG 4.08Å; I1044-K1047 PolarHBondContact O-N 3.1Å; K1047-M1050 HydrophobicContact CB-CG 3.99Å; K1047-M1050 HydrophobicContact CB-SD 3.4Å; K1047-M1050 WeakPolarHBondContact CB-SD 3.36Å; K1047-M1050 HydrophobicContact CD-SD 4.39Å; K1047-M1050 HydrophobicContact CG-SD 3.71Å
1048	G	88	Confident	90.9	Very high	36 Å²	36	61.5 Å²	61.5	37%	0.371	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.4	-152.6	-172.5	0	0	0	0	0	111.6	I1044	I1044-G1048 PolarHBondContact N-O 3.07Å; I1044-G1048 PolarHBondContact O-N 2.92Å; I1044-G1048 VanDerWaalsContact O-N 3.1Å
1049	V	90.1	Very high	90.2	Very high	88 Å²	88	59.2 Å²	59.2	53%	0.533	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.7	177	-176.8	0	0	0	0	108.6	E1041 I1043	E1041-V1049 HydrophobicContact CB-CG1 3.58Å; E1041-V1049 HydrophobicContact CG-CG1 3.79Å; I1043-V1049 HydrophobicContact CG1-CG2 4.17Å
1050	M	90.2	Very high	88.5	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	-121.5	134.2	175.2	-65.2	-178.6	70.5	0	0	109.6	T1004 E1041 V1042 I1044 K1047 T1052	T1004-M1050 HydrophobicContact CG2-CE 4.45Å; E1041-M1050 WeakPolarHBondContact CA-O 3.29Å; V1042-M1050 PolarHBondContact N-O 3.37Å; V1042-M1050 PolarHBondContact O-N 3.13Å; I1044-M1050 HydrophobicContact CB-CG 4.48Å; I1044-M1050 HydrophobicContact CB-SD 4.02Å; I1044-M1050 HydrophobicContact CG1-CB 4.34Å; I1044-M1050 HydrophobicContact CG1-CG 4.4Å; I1044-M1050 HydrophobicContact CG1-SD 4.03Å; I1044-M1050 HydrophobicContact CG2-SD 4.24Å; K1047-M1050 HydrophobicContact CB-CG 3.99Å; K1047-M1050 HydrophobicContact CB-SD 3.4Å; K1047-M1050 WeakPolarHBondContact CB-SD 3.36Å; K1047-M1050 HydrophobicContact CD-SD 4.39Å; K1047-M1050 HydrophobicContact CG-SD 3.71Å; M1050-T1052 HydrophobicContact CB-CG2 4.19Å
1051	N	93.2	Very high	86.1	Confident	41 Å²	41	66.3 Å²	66.3	22%	0.219	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.5	162	-161.4	11.5	0	0	0	109.1	S1021 E1038 G1040 Y1053	S1021-N1051 PolarHBondContact OG-O 2.83Å; E1038-N1051 PolarHBondContact OE1-ND2 2.51Å; E1038-N1051 PolarHBondContact OE1-OD1 2.88Å; G1040-N1051 VanDerWaalsContact C-OD1 3.23Å; G1040-N1051 WeakPolarHBondContact CA-OD1 3.35Å; G1040-N1051 PolarHBondContact O-OD1 3.12Å; N1051-Y1053 PolarHBondContact ND2-OH 2.94Å
1052	T	95.2	Very high	83.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	166.8	-175.7	60	0	0	0	0	111.3	M1008 H1018 R1039 G1040 M1050	M1008-T1052 HydrophobicContact CE-CG2 4.33Å; M1008-T1052 HydrophobicContact SD-CG2 3.97Å; H1018-T1052 WeakPolarHBondContact NE2-CB 3.04Å; H1018-T1052 PolarHBondContact NE2-OG1 3.19Å; R1039-T1052 VanDerWaalsContact CB-O 3.3Å; R1039-T1052 WeakPolarHBondContact CB-O 3.31Å; R1039-T1052 PolarHBondContact N-O 2.83Å; G1040-T1052 PolarHBondContact O-N 3.25Å; M1050-T1052 HydrophobicContact CB-CG2 4.19Å
1053	Y	96.9	Very high	80.8	Confident	46 Å²	46	69.2 Å²	69.2	18%	0.18	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.3	-168.5	-57.6	-93.2	0	0	0	112	V1019 N1024 E1037 E1038 N1051	V1019-Y1053 PolarHBondContact N-O 3.32Å; V1019-Y1053 PolarHBondContact O-N 3.38Å; N1024-Y1053 HydrophobicContact CB-CD1 4.49Å; N1024-Y1053 HydrophobicContact CB-CD2 3.36Å; N1024-Y1053 HydrophobicContact CB-CE2 3.89Å; N1024-Y1053 HydrophobicContact CB-CG 3.73Å; N1024-Y1053 VanDerWaalsContact CG-CD2 3.45Å; N1024-Y1053 WeakPolarHBondContact ND2-CD1 3.46Å; N1024-Y1053 WeakPolarHBondContact ND2-CE1 3.49Å; N1024-Y1053 WeakPolarHBondContact ND2-CE2 3.5Å; E1037-Y1053 CarbonylContact O-C 3.55Å; E1037-Y1053 VanDerWaalsContact O-CA 3.27Å; E1037-Y1053 WeakPolarHBondContact O-CA 3.29Å; E1038-Y1053 HydrophobicContact CB-CD1 4.21Å; E1038-Y1053 HydrophobicContact CB-CE1 4.11Å; E1038-Y1053 HydrophobicContact CG-CE1 4.25Å; N1051-Y1053 PolarHBondContact ND2-OH 2.94Å
1054	W	96.9	Very high	78.2	Confident	11 Å²	11	67.2 Å²	67.2	4%	0.042	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.2	166.7	-61.9	114.9	0	0	0	109.4	K1013 R1016 I1017 H1018 T1036 E1037 R1039 L1056	K1013-W1054 HydrophobicContact CB-CH2 3.88Å; K1013-W1054 HydrophobicContact CB-CZ2 4.41Å; K1013-W1054 HydrophobicContact CB-CZ3 4.45Å; K1013-W1054 HydrophobicContact CD-CH2 4.28Å; K1013-W1054 HydrophobicContact CD-CZ2 3.98Å; K1013-W1054 HydrophobicContact CG-CH2 3.82Å; K1013-W1054 HydrophobicContact CG-CZ2 4.02Å; R1016-W1054 HydrophobicContact CB-CD2 4.43Å; R1016-W1054 HydrophobicContact CB-CE3 3.59Å; R1016-W1054 HydrophobicContact CB-CH2 4.4Å; R1016-W1054 HydrophobicContact CB-CZ3 3.56Å; R1016-W1054 HydrophobicContact CG-CE3 4.42Å; I1017-W1054 WeakPolarHBondContact O-CA 3.44Å; H1018-W1054 HydrophobicContact CB-CE3 4.19Å; H1018-W1054 HydrophobicContact CB-CH2 4.29Å; H1018-W1054 HydrophobicContact CB-CZ3 3.62Å; T1036-W1054 CarbonylContact C-O 3.56Å; T1036-W1054 WeakPolarHBondContact CA-O 3.49Å; T1036-W1054 WeakPolarHBondContact CB-O 2.92Å; E1037-W1054 HydrophobicContact CB-CB 4.48Å; E1037-W1054 PolarHBondContact N-O 2.95Å; E1037-W1054 PolarHBondContact O-N 3.08Å; R1039-W1054 VanDerWaalsContact CD-CZ2 3.43Å; R1039-W1054 HydrophobicContact CG-CZ2 3.94Å; W1054-L1056 HydrophobicContact CB-CD2 4.22Å
1055	L	96.1	Very high	75.4	Confident	9 Å²	9	76.2 Å²	76.2	5%	0.047	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122	166.2	173.1	64.4	0	0	0	109.2	A949 L953 I1017 V1019 L1027 F1034 T1036	A949-L1055 HydrophobicContact CB-CD2 3.74Å; L953-L1055 HydrophobicContact CG-CD2 4.35Å; I1017-L1055 HydrophobicContact CB-CB 4.02Å; I1017-L1055 HydrophobicContact CD1-CD2 4.08Å; I1017-L1055 HydrophobicContact CD1-CG 4.4Å; I1017-L1055 HydrophobicContact CG2-CB 3.9Å; I1017-L1055 HydrophobicContact CG2-CD2 4.13Å; I1017-L1055 PolarHBondContact O-N 3.2Å; V1019-L1055 HydrophobicContact CG2-CB 3.83Å; L1027-L1055 HydrophobicContact CD1-CD1 4.41Å; F1034-L1055 HydrophobicContact CB-CD1 3.85Å; F1034-L1055 HydrophobicContact CD1-CD1 3.99Å; F1034-L1055 HydrophobicContact CG-CD1 4.28Å; T1036-L1055 HydrophobicContact CG2-CD1 4.12Å
1056	L	92.8	Very high	72.9	Confident	97 Å²	97	72.1 Å²	72.1	51%	0.508	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-33.7	-175.1	-60	-176	0	0	0	113.2	R1035 E1037 W1054	R1035-L1056 HydrophobicContact CB-CB 4.25Å; R1035-L1056 PolarHBondContact O-N 2.81Å; E1037-L1056 HydrophobicContact CB-CD1 3.9Å; E1037-L1056 HydrophobicContact CB-CD2 4.41Å; E1037-L1056 HydrophobicContact CB-CG 4.22Å; W1054-L1056 HydrophobicContact CB-CD2 4.22Å
1057	G	91.4	Very high	70.4	Confident	9 Å²	9	76.1 Å²	76.1	9%	0.093	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-174.3	-177.1	0	0	0	0	0	112.9	F1034 R1035	F1034-G1057 WeakPolarHBondContact CA-O 3.19Å; R1035-G1057 PolarHBondContact N-O 3.17Å
1058	E	88.7	Confident	67.8	Low	71 Å²	71	80.2 Å²	80.2	33%	0.332	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.4	171.4	-131.4	166.1	-166.5	0	0	109.6	R950 G1033 F1034 R1035	R950-E1058 IonicContact CZ-OE1 3.7Å; R950-E1058 VanDerWaalsContact CZ-OE1 3.26Å; R950-E1058 IonicContact NE-OE1 3.82Å; R950-E1058 PolarHBondContact NE-OE1 3.39Å; R950-E1058 IonicContact NH2-OE1 2.66Å; R950-E1058 PolarHBondContact NH2-OE1 3.44Å; G1033-E1058 CarbonylContact O-C 3.47Å; G1033-E1058 WeakPolarHBondContact O-CA 3.15Å; G1033-E1058 WeakPolarHBondContact O-CG 3.3Å; F1034-E1058 HydrophobicContact CD1-CB 4.49Å; F1034-E1058 HydrophobicContact CD1-CG 4Å; F1034-E1058 HydrophobicContact CE1-CG 3.81Å; F1034-E1058 HydrophobicContact CZ-CG 4.23Å; R1035-E1058 PolarHBondContact NE-O 3.11Å; R1035-E1058 PolarHBondContact NH2-O 3.33Å
1059	N	80	Confident	65.1	Low	74 Å²	74	89.5 Å²	89.5	40%	0.396	48%	0.475	S	S	.	.			trans	-73.8	130.4	173.1	-83.9	-34.2	0	0	0	109.2	G1033 R1035 S1061	G1033-N1059 PolarHBondContact O-N 3.13Å; R1035-N1059 WeakPolarHBondContact CD-OD1 3.48Å; R1035-N1059 WeakPolarHBondContact CG-OD1 2.74Å; N1059-S1061 PolarHBondContact O-N 3.04Å
1060	D	55.4	Low	62.2	Low	142 Å²	142	93.9 Å²	93.9	76%	0.759	49%	0.487	S	S	*	.	S	Bend	trans	-70.9	29.4	-174.3	-62.2	-55.8	0	0	0	114.6	R1035	R1035-D1060 IonicContact CZ-OD2 3.01Å; R1035-D1060 IonicContact NH1-OD2 3.79Å; R1035-D1060 PolarHBondContact NH1-OD2 3.04Å; R1035-D1060 IonicContact NH2-OD1 2.7Å; R1035-D1060 IonicContact NH2-OD2 2.93Å; R1035-D1060 PolarHBondContact NH2-OD2 3.14Å
1061	S	39.8	Very low	59.4	Low	98 Å²	98	104.1 Å²	104.1	69%	0.685	52%	0.524	S	S	*	.			trans	-143.6	49.9	-173.3	65.4	0	0	0	0	114.2	N1059	N1059-S1061 PolarHBondContact O-N 3.04Å
1062	V	38.3	Very low	56.5	Low	115 Å²	115	109.4 Å²	109.4	70%	0.697	55%	0.548	S	S	*	.			trans	-146.6	115.6	147.8	-175.7	0	0	0	0	107.5	V1064	V1062-V1064 PolarHBondContact O-N 2.88Å
1063	P	29.8	Very low	53.5	Low	125 Å²	125	117 Å²	117	81%	0.812	59%	0.589	S	S	*	*			trans	-68.3	98.6	171.6	27.4	-29.2	0	0	0	107.8	K1065	P1063-K1065 PolarHBondContact O-N 3.02Å
1064	V	35.8	Very low	50.2	Low	90 Å²	90	121.2 Å²	121.2	55%	0.545	62%	0.619	S	S	.	*			trans	-59.4	114.1	161.8	176.9	0	0	0	0	105	V1062 S1066	V1062-V1064 PolarHBondContact O-N 2.88Å; V1064-S1066 VanDerWaalsContact C-N 3.27Å; V1064-S1066 PolarHBondContact O-N 3.29Å
1065	K	30.1	Very low	47.1	Very low	189 Å²	189	126.1 Å²	126.1	82%	0.822	65%	0.653	S	S	*	*			trans	-49.6	99.8	167.2	-77	-178.5	176.4	178.8	0	107	P1063 N1067	P1063-K1065 PolarHBondContact O-N 3.02Å; K1065-N1067 PolarHBondContact O-N 3.49Å
1066	S	33.1	Very low	43.9	Very low	93 Å²	93	131.7 Å²	131.7	65%	0.65	69%	0.692	S	S	*	*			trans	-65.3	92.4	168.5	54	0	0	0	0	105.8	V1064 M1068	V1064-S1066 VanDerWaalsContact C-N 3.27Å; V1064-S1066 PolarHBondContact O-N 3.29Å; S1066-M1068 PolarHBondContact O-N 3.03Å
1067	N	30.7	Very low	40.9	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	71%	0.71	S	S	*	*			trans	-67.7	58.6	152.2	-83.3	-18.1	0	0	0	107.8	K1065 R1069	K1065-N1067 PolarHBondContact O-N 3.49Å; N1067-R1069 PolarHBondContact O-N 3.1Å
1068	M	31.7	Very low	38.1	Very low	170 Å²	170	139.8 Å²	139.8	84%	0.837	74%	0.744	S	S	*	*			trans	-74.2	80	156.8	-94.2	-173.8	174.1	0	0	105.9	S1066 K1070	S1066-M1068 PolarHBondContact O-N 3.03Å; M1068-K1070 VanDerWaalsContact C-N 3.3Å; M1068-K1070 PolarHBondContact O-N 3.18Å; M1068-K1070 VanDerWaalsContact O-N 3.1Å
1069	R	30.5	Very low	35.3	Very low	231 Å²	231	147.8 Å²	147.8	87%	0.872	77%	0.771	S	S	*	*			trans	-64.4	103.6	149.2	-82.4	-176.1	174.7	-177.8	-2	105.3	N1067 R1071	N1067-R1069 PolarHBondContact O-N 3.1Å; R1069-R1071 VanDerWaalsContact C-N 3.3Å; R1069-R1071 PolarHBondContact O-N 3.33Å
1070	K	29.5	Very low	33	Very low	180 Å²	180	148.9 Å²	148.9	78%	0.783	79%	0.785	S	S	*	*			trans	-48.9	98.9	159	-78.5	-178.8	173.1	-175.4	0	107.6	M1068	M1068-K1070 VanDerWaalsContact C-N 3.3Å; M1068-K1070 PolarHBondContact O-N 3.18Å; M1068-K1070 VanDerWaalsContact O-N 3.1Å
1071	R	31.7	Very low	32.2	Very low	240 Å²	240	149.2 Å²	149.2	91%	0.906	79%	0.785	S	S	*	*			trans	-92.3	94.5	151.3	-92.8	-175.4	168.8	178.1	-3.6	104.7	R1069 N1073	R1069-R1071 VanDerWaalsContact C-N 3.3Å; R1069-R1071 PolarHBondContact O-N 3.33Å; R1071-N1073 PolarHBondContact O-N 3.25Å
1072	E	31.9	Very low	31.9	Very low	152 Å²	152	150.1 Å²	150.1	71%	0.71	79%	0.786	S	S	*	*			trans	-59.7	122.2	169.4	-76	173.2	163.5	0	0	109.3
1073	N	31.4	Very low	31.8	Very low	160 Å²	160	150.2 Å²	150.2	86%	0.856	79%	0.789	S	S	*	*			trans	21.2	100.9	142.6	-66.2	-17.5	0	0	0	116.7	R1071	R1071-N1073 PolarHBondContact O-N 3.25Å
1074	T	28.3	Very low	32.1	Very low	135 Å²	135	153.3 Å²	153.3	83%	0.828	79%	0.793	S	S	*	*			trans	-107.9	129	146.3	-21.4	0	0	0	0	107.2
1075	P	33	Very low	32.1	Very low	114 Å²	114	160.8 Å²	160.8	74%	0.74	83%	0.827	S	S	*	*			trans	-65.1	140.9	-177.8	-9.6	23.6	0	0	0	110.4	M1077	P1075-M1077 PolarHBondContact O-N 2.65Å
1076	S	29	Very low	32.2	Very low	126 Å²	126	159.4 Å²	159.4	88%	0.881	83%	0.827	S	S	*	*			trans	-58.2	94.9	169.2	55	0	0	0	0	110.2	A1078	S1076-A1078 PolarHBondContact O-N 2.91Å
1077	M	29.7	Very low	32.1	Very low	180 Å²	180	162.8 Å²	162.8	89%	0.887	84%	0.837	S	S	*	*			trans	-83.7	108.9	166.6	-146.9	-178.4	-76.7	0	0	107.3	P1075 R1079	P1075-M1077 PolarHBondContact O-N 2.65Å; M1077-R1079 PolarHBondContact O-N 2.87Å
1078	A	30.8	Very low	32.2	Very low	96 Å²	96	163.3 Å²	163.3	79%	0.793	84%	0.837	S	S	*	*			trans	-53	109.5	170.4	0	0	0	0	0	109.4	S1076 S1080	S1076-A1078 PolarHBondContact O-N 2.91Å; A1078-S1080 VanDerWaalsContact C-N 3.32Å; A1078-S1080 PolarHBondContact O-N 3.25Å
1079	R	31.8	Very low	32.3	Very low	238 Å²	238	162.9 Å²	162.9	90%	0.898	84%	0.837	S	S	*	*			trans	-76.9	89.2	167.5	-83.8	-176	174.3	179.2	-2.4	108.6	M1077 I1081	M1077-R1079 PolarHBondContact O-N 2.87Å; R1079-I1081 PolarHBondContact O-N 2.94Å
1080	S	31.4	Very low	32.4	Very low	98 Å²	98	158.6 Å²	158.6	69%	0.685	84%	0.835	S	S	*	*			trans	-59.4	114.7	149.7	167.9	0	0	0	0	108.2	A1078	A1078-S1080 VanDerWaalsContact C-N 3.32Å; A1078-S1080 PolarHBondContact O-N 3.25Å
1081	I	36.8	Very low	32.6	Very low	148 Å²	148	157.2 Å²	157.2	76%	0.759	84%	0.839	S	S	*	*			trans	-91	108.8	167.7	-62.3	171.6	0	0	0	106.2	R1079	R1079-I1081 PolarHBondContact O-N 2.94Å
1082	T	34	Very low	32.6	Very low	117 Å²	117	151.3 Å²	151.3	72%	0.718	83%	0.834	S	S	*	*			trans	-127.3	129.4	158.4	39.8	0	0	0	0	107.2
1083	P	36.3	Very low	32.7	Very low	118 Å²	118	151.2 Å²	151.2	77%	0.766	84%	0.843	S	S	*	*			trans	-91.6	125.8	-179.2	34.1	-26.9	0	0	0	110.2
1084	E	36.1	Very low	32.8	Very low	189 Å²	189	150.5 Å²	150.5	88%	0.883	84%	0.842	S	S	*	*			trans	-143.3	124.4	159	-79.1	-169.3	159.6	0	0	109.5
1085	I	36.1	Very low	33.2	Very low	247 Å²	247	151.9 Å²	151.9	100%	1.267	84%	0.843	S	S	*	*			trans	77.6	0	176.6	-43	-179.3	0	0	0	116.7

Retrieved 1,085 of 1,085 residues in 1331.5 ms (Link to these results)

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