A0A2K6CBZ4_MACNE Loading...

Metabotropic glutamate receptor 5

G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling activates a phosphatidylinositol-calcium second messenger system and generates a calcium-activated chloride current. Plays an important role in the regulation of synaptic plasticity and the modulation of the neural network activity. G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling inhibits adenylate cyclase activity.

AlphaFold DB , UniProt , Accession A0A2K6CBZ4, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene GRM5, Length 1,212 aa.

						>A0A2K6CBZ4_MACNE|A0A2K6CBZ4|GRM5
MVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEEGLVRCVDGSSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKIYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNHRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCDSSLTLKTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLESLMKTNFTGVSGDMILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDEVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMGNGGRATMSSSNGKSVTWAQNEKSSRGQHLWQRLSIHINKKENPNQTAVIKPFPKSTESRGLGAGAGAGGSAGGMGATGGAGCAGAGPGGPEPPDASPKGLYDVAETEEHFPAPTRPRSPSPISTLSHRAGSASRTDDDVPSLHSEPAARSSSSQGSLMEQISSVVTRFTANISELNSMMLSTAAPSPGVGAPLCSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQPAAGAQAAGDAARESPAAGPEAAAAKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTLIIRDYTQSSSSL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.4	Very low	49	Very low	194 Å²	194	117.9 Å²	117.9	96%	0.956	64%	0.637	S	S	*	*				0	-59.6	0	-78.9	-178.4	71.7	0	0	113.4	L3 L4 L5	M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.33Å; M1-L3 VanDerWaalsContact O-N 3.14Å; M1-L4 WeakPolarHBondContact O-CB 3.12Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-L5 PolarHBondContact O-N 3.02Å
2	V	53.4	Low	48.1	Very low	111 Å²	111	121.3 Å²	121.3	67%	0.673	65%	0.653	S	S	*	*	H	α-helix	trans	-51.3	-43.2	-173.3	-176.2	0	0	0	0	113.9	L4 L5 I6	V2-L4 VanDerWaalsContact C-N 3.27Å; V2-L4 PolarHBondContact O-N 2.64Å; V2-L5 PolarHBondContact O-N 2.91Å; V2-I6 HydrophobicContact CG1-CD1 4.2Å; V2-I6 PolarHBondContact O-N 2.79Å
3	L	46.8	Very low	47.1	Very low	136 Å²	136	126.5 Å²	126.5	71%	0.712	67%	0.666	S	S	*	*	H	α-helix	trans	-63.2	-28.2	178.7	-150.5	77	0	0	0	114.2	M1 L7	M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.33Å; M1-L3 VanDerWaalsContact O-N 3.14Å; L3-L7 PolarHBondContact O-N 3.06Å
4	L	48.4	Very low	45.9	Very low	128 Å²	128	130.6 Å²	130.6	67%	0.67	68%	0.68	S	S	*	*	H	α-helix	trans	-74.9	-36.8	176.9	-88.9	158.6	0	0	0	111.8	M1 V2 I6 L7 S8	M1-L4 WeakPolarHBondContact O-CB 3.12Å; M1-L4 PolarHBondContact O-N 3.45Å; V2-L4 VanDerWaalsContact C-N 3.27Å; V2-L4 PolarHBondContact O-N 2.64Å; L4-I6 VanDerWaalsContact C-N 3.32Å; L4-I6 PolarHBondContact O-N 3.04Å; L4-L7 PolarHBondContact O-N 2.93Å; L4-S8 PolarHBondContact O-N 3.03Å; L4-S8 PolarHBondContact O-OG 2.75Å; L4-S8 VanDerWaalsContact O-OG 3.12Å
5	L	50.9	Low	44.9	Very low	115 Å²	115	129.9 Å²	129.9	60%	0.602	68%	0.678	S	S	*	*	H	α-helix	trans	-63.2	-39.1	174.2	-87.2	160.5	0	0	0	111.7	M1 V2 S8 V9	M1-L5 PolarHBondContact O-N 3.02Å; V2-L5 PolarHBondContact O-N 2.91Å; L5-S8 WeakPolarHBondContact CA-OG 3.4Å; L5-S8 PolarHBondContact O-N 3.24Å; L5-S8 PolarHBondContact O-OG 2.84Å; L5-V9 WeakPolarHBondContact O-CG2 3.5Å; L5-V9 PolarHBondContact O-N 3.25Å
6	I	56.2	Low	43.8	Very low	89 Å²	89	130.4 Å²	130.4	46%	0.456	69%	0.687	S	S	.	*	H	α-helix	trans	-67	-41.9	177.2	-63.8	169.9	0	0	0	111	V2 L4 V9 L10	V2-I6 HydrophobicContact CG1-CD1 4.2Å; V2-I6 PolarHBondContact O-N 2.79Å; L4-I6 VanDerWaalsContact C-N 3.32Å; L4-I6 PolarHBondContact O-N 3.04Å; I6-V9 PolarHBondContact O-N 2.89Å; I6-L10 HydrophobicContact CG2-CD1 4.08Å; I6-L10 PolarHBondContact O-N 3.24Å
7	L	48.4	Very low	42.9	Very low	93 Å²	93	134.4 Å²	134.4	49%	0.487	69%	0.691	S	S	.	*	H	α-helix	trans	-65.1	-39.9	175.4	-110.1	72.6	0	0	0	112.9	L3 L4 V9 L10 L11	L3-L7 PolarHBondContact O-N 3.06Å; L4-L7 PolarHBondContact O-N 2.93Å; L7-V9 VanDerWaalsContact C-N 3.29Å; L7-V9 PolarHBondContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-L11 PolarHBondContact O-N 3.29Å
8	S	47.4	Very low	41.9	Very low	57 Å²	57	130.7 Å²	130.7	40%	0.399	69%	0.692	S	S	.	*	H	α-helix	trans	-65.1	-30.1	178.5	48.6	0	0	0	0	113.7	L4 L5	L4-S8 PolarHBondContact O-N 3.03Å; L4-S8 PolarHBondContact O-OG 2.75Å; L4-S8 VanDerWaalsContact O-OG 3.12Å; L5-S8 WeakPolarHBondContact CA-OG 3.4Å; L5-S8 PolarHBondContact O-N 3.24Å; L5-S8 PolarHBondContact O-OG 2.84Å
9	V	51.7	Low	41.1	Very low	116 Å²	116	129.4 Å²	129.4	70%	0.703	69%	0.694	S	S	*	*	H	α-helix	trans	-77.5	-29.7	175.5	173.7	0	0	0	0	111.7	L5 I6 L7	L5-V9 WeakPolarHBondContact O-CG2 3.5Å; L5-V9 PolarHBondContact O-N 3.25Å; I6-V9 PolarHBondContact O-N 2.89Å; L7-V9 VanDerWaalsContact C-N 3.29Å; L7-V9 PolarHBondContact O-N 3.15Å
10	L	45	Very low	40.5	Very low	125 Å²	125	127.5 Å²	127.5	65%	0.654	70%	0.697	S	S	*	*	H	α-helix	trans	-83.1	-22.7	178.7	-75.8	167	0	0	0	114.3	I6 L7	I6-L10 HydrophobicContact CG2-CD1 4.08Å; I6-L10 PolarHBondContact O-N 3.24Å; L7-L10 PolarHBondContact O-N 3.35Å
11	L	42.4	Very low	39.9	Very low	133 Å²	133	129.7 Å²	129.7	70%	0.696	70%	0.703	S	S	*	*	H	α-helix	trans	-92.3	-14	179.6	-73.8	167.7	0	0	0	114.4	L7 K13	L7-L11 PolarHBondContact O-N 3.29Å; L11-K13 PolarHBondContact O-N 3.43Å
12	L	38.8	Very low	39	Very low	159 Å²	159	125.2 Å²	125.2	83%	0.832	69%	0.691	S	S	*	*			trans	-80.1	43.4	170.7	-84	167.9	0	0	0	112.7
13	K	34.8	Very low	38.1	Very low	189 Å²	189	124.9 Å²	124.9	82%	0.822	69%	0.693	S	S	*	*			trans	-114.8	46.5	174	-157.8	177.1	-179	178.4	0	111.4	L11 D15	L11-K13 PolarHBondContact O-N 3.43Å; K13-D15 PolarHBondContact O-N 2.95Å
14	E	30.7	Very low	38.1	Very low	184 Å²	184	126.6 Å²	126.6	86%	0.86	70%	0.697	S	S	*	*			trans	-71.1	116.5	164.9	-88	-167.9	133.3	0	0	110.3	V16	E14-V16 PolarHBondContact O-N 3.14Å
15	D	29.8	Very low	38.8	Very low	120 Å²	120	129.6 Å²	129.6	64%	0.642	70%	0.7	S	S	*	*			trans	24.3	64.4	150.1	-150.2	24.4	0	0	0	117.5	K13 R17	K13-D15 PolarHBondContact O-N 2.95Å; D15-R17 PolarHBondContact O-N 2.99Å; D15-R17 PolarHBondContact OD1-N 3.11Å; D15-R17 IonicContact OD2-NE 3.72Å
16	V	28.4	Very low	40	Very low	137 Å²	137	128 Å²	128	83%	0.83	69%	0.686	S	S	*	*			trans	-66.3	75.4	138.8	-175.3	0	0	0	0	106.9	E14 G18	E14-V16 PolarHBondContact O-N 3.14Å; V16-G18 PolarHBondContact O-N 2.9Å; V16-G18 VanDerWaalsContact O-N 3.11Å
17	R	27.7	Very low	41.5	Very low	198 Å²	198	127.3 Å²	127.3	75%	0.747	69%	0.686	S	S	*	*			trans	-40.8	119.2	143.3	-99.2	170.8	176.1	-160.9	-4.7	105.5	D15 S19	D15-R17 PolarHBondContact O-N 2.99Å; D15-R17 PolarHBondContact OD1-N 3.11Å; D15-R17 IonicContact OD2-NE 3.72Å; R17-S19 PolarHBondContact O-N 3.21Å
18	G	26	Very low	43.5	Very low	69 Å²	69	125.1 Å²	125.1	71%	0.711	68%	0.676	S	S	*	*			trans	-58.5	98	166	0	0	0	0	0	107	V16 A20	V16-G18 PolarHBondContact O-N 2.9Å; V16-G18 VanDerWaalsContact O-N 3.11Å; G18-A20 PolarHBondContact O-N 3.49Å
19	S	26.6	Very low	45.7	Very low	106 Å²	106	122.5 Å²	122.5	74%	0.741	66%	0.658	S	S	*	*			trans	-61.5	94.2	157.9	-175.3	0	0	0	0	104.1	R17 Q21	R17-S19 PolarHBondContact O-N 3.21Å; S19-Q21 PolarHBondContact O-N 3.24Å
20	A	27.6	Very low	47.7	Very low	91 Å²	91	121.6 Å²	121.6	75%	0.752	65%	0.646	S	S	*	*			trans	-58	95.9	167.1	0	0	0	0	0	104.3	G18 S22	G18-A20 PolarHBondContact O-N 3.49Å; A20-S22 WeakPolarHBondContact O-CA 3.41Å; A20-S22 PolarHBondContact O-N 3.41Å
21	Q	27.8	Very low	50	Low	174 Å²	174	116.9 Å²	116.9	81%	0.813	62%	0.62	S	S	*	*			trans	-53.5	108.9	-165.7	-173	175.1	18.4	0	0	106.6	S19 S23	S19-Q21 PolarHBondContact O-N 3.24Å; Q21-S23 PolarHBondContact O-N 3.4Å
22	S	29.5	Very low	52.3	Low	100 Å²	100	114.9 Å²	114.9	70%	0.699	62%	0.616	S	S	*	*			trans	-63.2	105.6	-163.8	53.8	0	0	0	0	107.6	A20 E24	A20-S22 WeakPolarHBondContact O-CA 3.41Å; A20-S22 PolarHBondContact O-N 3.41Å; S22-E24 PolarHBondContact O-N 3.02Å
23	S	34.9	Very low	54.8	Low	104 Å²	104	108.1 Å²	108.1	73%	0.727	58%	0.584	S	S	*	*			trans	-52.3	113.3	175.1	-178.8	0	0	0	0	106.6	Q21 R25	Q21-S23 PolarHBondContact O-N 3.4Å; S23-R25 VanDerWaalsContact C-N 3.26Å; S23-R25 PolarHBondContact O-N 3.48Å
24	E	46.4	Very low	57.5	Low	171 Å²	171	102.2 Å²	102.2	80%	0.799	56%	0.562	S	S	*	*			trans	-63.2	95.5	-179.4	-73.3	-175.8	124.5	0	0	107	S22 R26	S22-E24 PolarHBondContact O-N 3.02Å; E24-R26 PolarHBondContact O-N 3.26Å
25	R	63.6	Low	60.5	Low	191 Å²	191	93.8 Å²	93.8	72%	0.721	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-60.2	116.4	-164	-170.4	177.1	-173.7	177.2	1.9	108	S23 V27	S23-R25 VanDerWaalsContact C-N 3.26Å; S23-R25 PolarHBondContact O-N 3.48Å; R25-V27 PolarHBondContact O-N 3.19Å
26	R	76.6	Confident	63.6	Low	82 Å²	82	88.6 Å²	88.6	31%	0.309	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-50.8	127.5	-171.8	-62.1	-59.4	-173.1	162.3	2.6	110.3	E24 R55 E107	E24-R26 PolarHBondContact O-N 3.26Å; R26-R55 PolarHBondContact NH2-O 2.95Å; R26-E107 IonicContact NE-OE1 2.97Å
27	V	86.9	Confident	66.8	Low	75 Å²	75	82.1 Å²	82.1	46%	0.455	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-72.1	150.4	-178.5	-146.6	0	0	0	0	109.5	R25 P353 W354	R25-V27 PolarHBondContact O-N 3.19Å; V27-P353 HydrophobicContact CB-CB 4.3Å; V27-P353 HydrophobicContact CB-CG 4.23Å; V27-P353 HydrophobicContact CG1-CB 3.51Å; V27-P353 HydrophobicContact CG1-CG 3.75Å; V27-W354 HydrophobicContact CB-CZ2 4.22Å; V27-W354 WeakPolarHBondContact O-CZ2 3.43Å
28	V	91.9	Very high	70.1	Confident	47 Å²	47	72.7 Å²	72.7	29%	0.285	42%	0.42	S	S	.	.			trans	-131.8	136	-179.7	56.4	0	0	0	0	108.3	E94 R96	V28-E94 HydrophobicContact CG2-CB 4.03Å; V28-E94 HydrophobicContact CG2-CG 4.13Å; V28-R96 HydrophobicContact CB-CG 4.28Å; V28-R96 HydrophobicContact CG2-CG 3.85Å
29	A	93.5	Very high	73.5	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121	166.1	0	0	0	0	0	107.8	V69 I95 P353 W354	A29-V69 HydrophobicContact CB-CG1 4.49Å; A29-I95 HydrophobicContact CB-CB 4.22Å; A29-I95 PolarHBondContact N-O 2.97Å; A29-I95 PolarHBondContact O-N 3.25Å; A29-P353 HydrophobicContact CB-CG 4.38Å; A29-W354 HydrophobicContact CB-CZ3 4.05Å
30	H	92.1	Very high	76.9	Confident	98 Å²	98	64.3 Å²	64.3	45%	0.454	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.1	-173.7	163.9	-92.2	0	0	0	111.4	C93	H30-C93 VanDerWaalsContact CA-O 3.32Å; H30-C93 WeakPolarHBondContact CA-O 3.45Å
31	M	93.4	Very high	80.2	Confident	25 Å²	25	60 Å²	60	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.6	168.4	-175.9	-177	-69.1	0	0	108.5	L73 L76 E77 G92 C93	M31-L73 HydrophobicContact CB-CD2 4.49Å; M31-L73 HydrophobicContact CE-CB 4.35Å; M31-L73 HydrophobicContact CE-CD2 3.88Å; M31-L73 WeakPolarHBondContact CE-O 3.38Å; M31-L76 HydrophobicContact CE-CB 4.36Å; M31-L76 HydrophobicContact SD-CB 4Å; M31-L76 HydrophobicContact SD-CD1 4.48Å; M31-E77 HydrophobicContact CE-CG 4.28Å; M31-G92 CarbonylContact O-C 3.58Å; M31-G92 WeakPolarHBondContact O-CA 3.4Å; M31-C93 PolarHBondContact N-O 3.4Å; M31-C93 PolarHBondContact O-N 2.94Å
32	P	92	Very high	83.3	Confident	92 Å²	92	51.8 Å²	51.8	60%	0.597	28%	0.276	S	S	*	.			trans	-68.9	149.8	177.7	29.6	-34.7	0	0	0	111.5
33	G	91.1	Very high	86.4	Confident	17 Å²	17	47 Å²	47	18%	0.175	24%	0.243	C	C	.	.			trans	-168.6	-172.9	176.9	0	0	0	0	0	114.7	K141	G33-K141 PolarHBondContact O-NZ 3.23Å
34	D	91.1	Very high	89.2	Confident	64 Å²	64	43 Å²	43	34%	0.342	21%	0.213	S	C	.	.	S	Bend	trans	-80.8	-42	175	-68	-56.3	0	0	0	112.3	I89 T90 K141 L425	D34-I89 HydrophobicContact CB-CG2 4.16Å; D34-T90 WeakPolarHBondContact CA-O 3.25Å; D34-T90 WeakPolarHBondContact CB-O 3.3Å; D34-T90 PolarHBondContact N-O 3.45Å; D34-T90 WeakPolarHBondContact OD2-CB 3.49Å; D34-T90 PolarHBondContact OD2-N 3.26Å; D34-T90 PolarHBondContact OD2-OG1 2.88Å; D34-K141 VanDerWaalsContact CA-NZ 3.3Å; D34-K141 VanDerWaalsContact O-CD 3.27Å; D34-K141 WeakPolarHBondContact O-CD 3.48Å; D34-K141 PolarHBondContact O-NZ 3.44Å; D34-K141 IonicContact OD1-NZ 3.26Å; D34-L425 HydrophobicContact CB-CD1 4.38Å
35	I	93.8	Very high	91	Very high	7 Å²	7	39 Å²	39	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.1	173.1	-52	175.9	0	0	0	107.9	I89 T90 L91 G92 V144 L411 L425 I432	I35-I89 HydrophobicContact CD1-CG2 3.67Å; I35-I89 HydrophobicContact CG1-CG2 3.93Å; I35-T90 PolarHBondContact N-O 2.97Å; I35-L91 HydrophobicContact CB-CD2 3.99Å; I35-L91 HydrophobicContact CD1-CD2 4.21Å; I35-G92 PolarHBondContact O-N 3.28Å; I35-V144 HydrophobicContact CG2-CB 3.77Å; I35-V144 HydrophobicContact CG2-CG1 3.52Å; I35-V144 HydrophobicContact CG2-CG2 4.27Å; I35-L411 HydrophobicContact CD1-CD1 4.12Å; I35-L411 HydrophobicContact CD1-CD2 4.19Å; I35-L411 HydrophobicContact CG2-CD1 4.26Å; I35-L425 HydrophobicContact CD1-CD2 4.18Å; I35-L425 HydrophobicContact CG1-CD1 4.08Å; I35-I432 HydrophobicContact CD1-CD1 4Å; I35-I432 HydrophobicContact CG1-CD1 4.27Å; I35-I432 HydrophobicContact CG2-CD1 4.34Å
36	I	94.3	Very high	92	Very high	12 Å²	12	34 Å²	34	6%	0.062	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126	177.5	-52.5	-59.5	0	0	0	110.3	E94 K141 I143 V144	I36-E94 HydrophobicContact CG2-CG 4.39Å; I36-K141 HydrophobicContact CG1-CB 4.04Å; I36-I143 HydrophobicContact CB-CG1 4.41Å; I36-I143 HydrophobicContact CG2-CG1 3.97Å; I36-I143 WeakPolarHBondContact O-CA 3.43Å; I36-V144 PolarHBondContact O-N 2.7Å
37	I	96.7	Very high	92.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.2	173.4	-60.9	167.7	0	0	0	108.7	M72 L91 G92 C93 E94 V144 I147 M407	I37-M72 HydrophobicContact CB-CE 4.39Å; I37-M72 HydrophobicContact CG2-CE 4.01Å; I37-L91 HydrophobicContact CD1-CD1 4.09Å; I37-L91 HydrophobicContact CD1-CD2 4.36Å; I37-G92 PolarHBondContact N-O 2.78Å; I37-C93 WeakPolarHBondContact O-CA 3.4Å; I37-C93 WeakPolarHBondContact O-CB 3.32Å; I37-E94 PolarHBondContact O-N 2.94Å; I37-E94 VanDerWaalsContact O-N 3.12Å; I37-V144 HydrophobicContact CG1-CG1 4.21Å; I37-I147 HydrophobicContact CG2-CD1 3.92Å; I37-I147 HydrophobicContact CG2-CG1 4.09Å; I37-M407 HydrophobicContact CD1-CB 4.4Å; I37-M407 HydrophobicContact CD1-CG 3.74Å; I37-M407 HydrophobicContact CG1-CG 4.15Å
38	G	96.2	Very high	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	152.5	175.6	0	0	0	0	0	111.4	E94 G145 V146 I147	G38-E94 CarbonylContact C-O 3.5Å; G38-E94 WeakPolarHBondContact CA-O 3.32Å; G38-G145 PolarHBondContact N-O 3.46Å; G38-V146 CarbonylContact O-C 3.46Å; G38-V146 VanDerWaalsContact O-CA 3.31Å; G38-V146 WeakPolarHBondContact O-CA 3.44Å; G38-I147 PolarHBondContact O-N 3.03Å
39	A	97.4	Very high	91.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.6	169.4	0	0	0	0	0	113.5	F41 M72 E94 I95 R96 I147	A39-F41 HydrophobicContact CB-CE2 4.06Å; A39-F41 HydrophobicContact CB-CZ 4.06Å; A39-M72 HydrophobicContact CB-CE 3.87Å; A39-M72 HydrophobicContact CB-SD 3.37Å; A39-M72 WeakPolarHBondContact CB-SD 3.19Å; A39-E94 PolarHBondContact N-O 2.74Å; A39-I95 HydrophobicContact CB-CG1 4.34Å; A39-I95 HydrophobicContact CB-CG2 4.35Å; A39-R96 PolarHBondContact O-N 3.42Å; A39-I147 WeakPolarHBondContact CA-O 3.47Å; A39-I147 HydrophobicContact CB-CB 4.41Å
40	L	97.5	Very high	90.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	87.2	175.9	-66.5	175.9	0	0	0	109.7	R96 Q108 F112 V146 I147 P149 V158	L40-R96 HydrophobicContact CD2-CB 4.3Å; L40-Q108 HydrophobicContact CD2-CB 3.93Å; L40-F112 HydrophobicContact CD1-CE2 4.5Å; L40-F112 HydrophobicContact CD2-CE2 3.74Å; L40-F112 HydrophobicContact CD2-CZ 4.11Å; L40-F112 HydrophobicContact CG-CE2 3.89Å; L40-F112 HydrophobicContact CG-CZ 4.5Å; L40-V146 HydrophobicContact CD1-CG1 4.42Å; L40-V146 HydrophobicContact CG-CG1 4.33Å; L40-I147 PolarHBondContact N-O 3.42Å; L40-P149 HydrophobicContact CB-CB 3.98Å; L40-P149 WeakPolarHBondContact O-CA 3.35Å; L40-V158 HydrophobicContact CD1-CG1 4.06Å; L40-V158 HydrophobicContact CD1-CG2 3.87Å
41	F	96.9	Very high	89.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	164.3	170	-60	-43.2	0	0	0	110.5	A39 R68 V69 M72 I95 R96 D97 S98 Y172 V400	A39-F41 HydrophobicContact CB-CE2 4.06Å; A39-F41 HydrophobicContact CB-CZ 4.06Å; F41-R68 HydrophobicContact CD1-CB 3.93Å; F41-R68 HydrophobicContact CD2-CB 4.06Å; F41-R68 HydrophobicContact CE1-CB 4.12Å; F41-R68 HydrophobicContact CE2-CB 4.25Å; F41-R68 WeakPolarHBondContact CE2-O 3.43Å; F41-R68 HydrophobicContact CG-CB 3.91Å; F41-R68 HydrophobicContact CZ-CB 4.29Å; F41-V69 HydrophobicContact CB-CG2 4.48Å; F41-V69 HydrophobicContact CD2-CG2 3.95Å; F41-M72 HydrophobicContact CE2-CB 3.74Å; F41-M72 HydrophobicContact CE2-CG 4.37Å; F41-M72 HydrophobicContact CE2-SD 3.73Å; F41-M72 HydrophobicContact CZ-CB 3.94Å; F41-M72 HydrophobicContact CZ-CG 4.45Å; F41-M72 HydrophobicContact CZ-SD 3.79Å; F41-I95 HydrophobicContact CD2-CG2 3.52Å; F41-I95 HydrophobicContact CE2-CD1 4.42Å; F41-I95 HydrophobicContact CE2-CG2 3.98Å; F41-I95 HydrophobicContact CG-CG2 4.46Å; F41-R96 PolarHBondContact N-O 3.43Å; F41-D97 VanDerWaalsContact O-OD1 3.13Å; F41-S98 VanDerWaalsContact C-OG 3.24Å; F41-S98 WeakPolarHBondContact O-CB 3.37Å; F41-S98 PolarHBondContact O-N 3.49Å; F41-S98 PolarHBondContact O-OG 3.18Å; F41-Y172 AromaticContact CD1-CE1 3.84Å; F41-Y172 HydrophobicContact CD1-CE1 3.84Å; F41-Y172 AromaticContact CD1-CZ 3.98Å; F41-Y172 HydrophobicContact CE1-CD1 4.4Å; F41-Y172 AromaticContact CE1-CE1 3.71Å; F41-Y172 HydrophobicContact CE1-CE1 3.71Å; F41-V400 HydrophobicContact CE1-CG1 3.84Å; F41-V400 HydrophobicContact CZ-CG1 3.81Å
42	S	93.8	Very high	89.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.007	23%	0.227	C	C	.	.			trans	-105	76.6	179.6	-55.9	0	0	0	0	108.6	H44 G65 S98	S42-H44 VanDerWaalsContact C-N 3.28Å; S42-H44 PolarHBondContact O-N 3.28Å; S42-G65 WeakPolarHBondContact O-CA 3.48Å; S42-S98 WeakPolarHBondContact CA-OG 3.2Å; S42-S98 PolarHBondContact N-OG 2.86Å; S42-S98 PolarHBondContact OG-OG 3.43Å
43	V	94.6	Very high	88.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.			trans	-65.6	-35.6	-176.8	-171.4	0	0	0	0	110.2	V60 R61 I66 V69 D97 W354	V43-V60 CarbonylContact O-C 3.36Å; V43-V60 VanDerWaalsContact O-CA 3.31Å; V43-V60 WeakPolarHBondContact O-CA 3.31Å; V43-R61 PolarHBondContact O-N 2.9Å; V43-I66 HydrophobicContact CG1-CD1 3.81Å; V43-V69 HydrophobicContact CG2-CG2 3.97Å; V43-D97 HydrophobicContact CB-CB 4.16Å; V43-D97 HydrophobicContact CG2-CB 4.08Å; V43-D97 PolarHBondContact N-OD1 3.23Å; V43-W354 HydrophobicContact CG1-CB 3.92Å; V43-W354 HydrophobicContact CG1-CD2 3.87Å; V43-W354 HydrophobicContact CG1-CE3 4.24Å; V43-W354 HydrophobicContact CG1-CG 3.72Å; V43-W354 HydrophobicContact CG2-CD2 4.42Å; V43-W354 HydrophobicContact CG2-CE3 4.18Å; V43-W354 HydrophobicContact CG2-CZ3 4.28Å
44	H	92.8	Very high	88.4	Confident	21 Å²	21	47 Å²	47	10%	0.097	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-111.9	161.1	174.9	-61.3	86.7	0	0	0	113.7	S42 C57 G58 A59 V60 R61 D97 W354 E357	S42-H44 VanDerWaalsContact C-N 3.28Å; S42-H44 PolarHBondContact O-N 3.28Å; H44-C57 HydrophobicContact CB-CB 3.61Å; H44-G58 PolarHBondContact CD2-O 3.35Å; H44-A59 CarbonylContact C-O 3.54Å; H44-A59 WeakPolarHBondContact CA-O 3.47Å; H44-V60 VanDerWaalsContact NE2-CG1 3.3Å; H44-V60 WeakPolarHBondContact NE2-CG1 3.32Å; H44-R61 WeakPolarHBondContact O-CD 3.32Å; H44-D97 IonicContact CE1-OD2 2.67Å; H44-D97 IonicContact CG-OD2 2.68Å; H44-D97 PolarHBondContact N-OD2 3.01Å; H44-D97 IonicContact ND1-OD2 2.63Å; H44-D97 PolarHBondContact ND1-OD2 2.98Å; H44-W354 AromaticContact CE1-CD1 3.71Å; H44-W354 AromaticContact CE1-NE1 3.83Å; H44-E357 IonicContact NE2-OE1 3.78Å; H44-E357 IonicContact NE2-OE2 2.69Å
45	H	85.9	Confident	88.1	Confident	86 Å²	86	49.2 Å²	49.2	40%	0.398	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-65.5	156.5	164.2	-79.2	-88	0	0	0	111.5	G58 A59	H45-G58 PolarHBondContact O-N 3.11Å; H45-A59 PolarHBondContact CD2-O 3.41Å; H45-A59 VanDerWaalsContact CD2-O 3.31Å; H45-A59 PolarHBondContact N-O 3.06Å
46	Q	83.6	Confident	87.8	Confident	87 Å²	87	53.3 Å²	53.3	41%	0.407	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-62.8	147.8	177.8	70.8	-170.6	16.1	0	0	112.7	C99 W100	Q46-C99 WeakPolarHBondContact CA-O 3.28Å; Q46-C99 WeakPolarHBondContact CB-O 3.45Å; Q46-C99 PolarHBondContact N-O 3.16Å; Q46-W100 HydrophobicContact CB-CB 4.44Å
47	P	84.7	Confident	87.6	Confident	11 Å²	11	54.1 Å²	54.1	7%	0.071	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-56.9	143	172.2	23.6	-34	0	0	0	111.4	K51 V52 K56 H101	P47-K51 HydrophobicContact CB-CB 4.42Å; P47-V52 HydrophobicContact CB-CG1 4.25Å; P47-V52 HydrophobicContact CG-CG1 4.14Å; P47-K56 WeakPolarHBondContact CB-O 3.35Å; P47-H101 HydrophobicContact CG-CB 4.42Å
48	T	78.5	Confident	87.2	Confident	80 Å²	80	55.6 Å²	55.6	49%	0.491	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-68.1	160.5	167.9	53.8	0	0	0	0	110.4	D50 K51 V52	T48-D50 PolarHBondContact O-N 2.87Å; T48-D50 VanDerWaalsContact O-N 3.15Å; T48-K51 CarbonylContact O-C 3.48Å; T48-K51 WeakPolarHBondContact O-CA 3.24Å; T48-K51 PolarHBondContact O-N 2.91Å; T48-V52 WeakPolarHBondContact O-CG1 3.49Å; T48-V52 PolarHBondContact O-N 2.85Å; T48-V52 VanDerWaalsContact O-N 3.16Å
49	V	75.3	Confident	86.8	Confident	101 Å²	101	57.7 Å²	57.7	61%	0.612	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-51.3	-43.1	-177.1	-176.6	0	0	0	0	111.7	K51 V52	V49-K51 PolarHBondContact O-N 3.06Å; V49-K51 VanDerWaalsContact O-N 3.15Å; V49-V52 WeakPolarHBondContact O-CG2 3.45Å
50	D	76.3	Confident	86.5	Confident	127 Å²	127	57.9 Å²	57.9	68%	0.679	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-73.8	-0.9	-179.9	-36.3	-77.5	0	0	0	114.3	T48 H53	T48-D50 PolarHBondContact O-N 2.87Å; T48-D50 VanDerWaalsContact O-N 3.15Å; D50-H53 PolarHBondContact O-CE1 3.5Å
51	K	78.1	Confident	86.1	Confident	99 Å²	99	59.6 Å²	59.6	43%	0.43	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-127.9	-1.7	-175.8	-66.7	-173.2	178	-177.4	0	114.5	P47 T48 V49 H53 E54 R55 K56	P47-K51 HydrophobicContact CB-CB 4.42Å; T48-K51 CarbonylContact O-C 3.48Å; T48-K51 WeakPolarHBondContact O-CA 3.24Å; T48-K51 PolarHBondContact O-N 2.91Å; V49-K51 PolarHBondContact O-N 3.06Å; V49-K51 VanDerWaalsContact O-N 3.15Å; K51-H53 PolarHBondContact O-N 3.05Å; K51-E54 PolarHBondContact O-N 3.34Å; K51-R55 PolarHBondContact O-N 3.1Å; K51-K56 PolarHBondContact O-N 3.21Å
52	V	81.2	Confident	85.7	Confident	59 Å²	59	61.6 Å²	61.6	36%	0.358	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-37	179.1	-57.1	0	0	0	0	112.3	P47 T48 V49 R55	P47-V52 HydrophobicContact CB-CG1 4.25Å; P47-V52 HydrophobicContact CG-CG1 4.14Å; T48-V52 WeakPolarHBondContact O-CG1 3.49Å; T48-V52 PolarHBondContact O-N 2.85Å; T48-V52 VanDerWaalsContact O-N 3.16Å; V49-V52 WeakPolarHBondContact O-CG2 3.45Å; V52-R55 PolarHBondContact O-N 3.37Å; V52-R55 VanDerWaalsContact O-N 3.15Å
53	H	82.1	Confident	85.3	Confident	142 Å²	142	64.8 Å²	64.8	66%	0.657	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-34.4	-179.1	54	-90.8	0	0	0	112.4	D50 K51 R55	D50-H53 PolarHBondContact O-CE1 3.5Å; K51-H53 PolarHBondContact O-N 3.05Å; H53-R55 PolarHBondContact O-N 3.19Å
54	E	85.9	Confident	84.9	Confident	90 Å²	90	66.1 Å²	66.1	42%	0.421	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.1	167.4	-54.6	-162.7	114.9	0	0	113	K51 K56	K51-E54 PolarHBondContact O-N 3.34Å; E54-K56 HydrophobicContact CB-CB 4.44Å; E54-K56 HydrophobicContact CB-CD 4.21Å; E54-K56 HydrophobicContact CB-CG 3.94Å; E54-K56 PolarHBondContact O-N 3.46Å; E54-K56 IonicContact OE1-NZ 2.83Å; E54-K56 PolarHBondContact OE1-NZ 3.48Å; E54-K56 VanDerWaalsContact OE2-CD 3.28Å; E54-K56 WeakPolarHBondContact OE2-CD 3.41Å; E54-K56 WeakPolarHBondContact OE2-CE 3.26Å; E54-K56 IonicContact OE2-NZ 2.8Å; E54-K56 PolarHBondContact OE2-NZ 3.09Å
55	R	85.3	Confident	84.9	Confident	110 Å²	110	65.1 Å²	65.1	42%	0.415	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	19.6	-173.1	-52.4	179.5	-167.6	168.5	4.9	113.8	R26 K51 V52 H53 C57 V104 E107	R26-R55 PolarHBondContact NH2-O 2.95Å; K51-R55 PolarHBondContact O-N 3.1Å; V52-R55 PolarHBondContact O-N 3.37Å; V52-R55 VanDerWaalsContact O-N 3.15Å; H53-R55 PolarHBondContact O-N 3.19Å; R55-C57 PolarHBondContact O-N 2.92Å; R55-V104 HydrophobicContact CB-CG2 4.24Å; R55-E107 WeakPolarHBondContact CD-OE2 3.45Å; R55-E107 IonicContact CZ-OE2 2.79Å; R55-E107 IonicContact NE-OE2 3.14Å; R55-E107 IonicContact NH1-OE2 2.7Å; R55-E107 PolarHBondContact NH1-OE2 2.84Å
56	K	86.3	Confident	85.3	Confident	93 Å²	93	61 Å²	61	40%	0.404	32%	0.315	S	S	.	.			trans	-77.2	108.3	-179.2	-69.3	-177.8	-161.6	148.5	0	109.9	P47 K51 E54	P47-K56 WeakPolarHBondContact CB-O 3.35Å; K51-K56 PolarHBondContact O-N 3.21Å; E54-K56 HydrophobicContact CB-CB 4.44Å; E54-K56 HydrophobicContact CB-CD 4.21Å; E54-K56 HydrophobicContact CB-CG 3.94Å; E54-K56 PolarHBondContact O-N 3.46Å; E54-K56 IonicContact OE1-NZ 2.83Å; E54-K56 PolarHBondContact OE1-NZ 3.48Å; E54-K56 VanDerWaalsContact OE2-CD 3.28Å; E54-K56 WeakPolarHBondContact OE2-CD 3.41Å; E54-K56 WeakPolarHBondContact OE2-CE 3.26Å; E54-K56 IonicContact OE2-NZ 2.8Å; E54-K56 PolarHBondContact OE2-NZ 3.09Å
57	C	89.7	Confident	85.8	Confident	29 Å²	29	56.9 Å²	56.9	20%	0.196	30%	0.296	C	S	.	.			trans	-67.5	165.8	-178.5	-49.3	0	0	0	0	111.8	H44 R55 C99	H44-C57 HydrophobicContact CB-CB 3.61Å; R55-C57 PolarHBondContact O-N 2.92Å; C57-C99 HydrophobicContact CB-CB 3.73Å; C57-C99 WeakPolarHBondContact CB-SG 3.06Å; C57-C99 WeakPolarHBondContact SG-CB 3.38Å; C57-C99 CovalentContact SG-SG 2.03Å; C57-C99 PolarHBondContact SG-SG 3.14Å
58	G	88.4	Confident	86.4	Confident	32 Å²	32	56.4 Å²	56.4	33%	0.33	29%	0.292	S	S	.	.			trans	-77.1	-161.4	175.5	0	0	0	0	0	112.8	H44 H45	H44-G58 PolarHBondContact CD2-O 3.35Å; H45-G58 PolarHBondContact O-N 3.11Å
59	A	89.3	Confident	87.3	Confident	43 Å²	43	52.6 Å²	52.6	36%	0.355	27%	0.269	S	S	.	.	S	Bend	trans	-67.4	162.9	176.7	0	0	0	0	0	113	H44 H45	H44-A59 CarbonylContact C-O 3.54Å; H44-A59 WeakPolarHBondContact CA-O 3.47Å; H45-A59 PolarHBondContact CD2-O 3.41Å; H45-A59 VanDerWaalsContact CD2-O 3.31Å; H45-A59 PolarHBondContact N-O 3.06Å
60	V	91.2	Very high	88.3	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.03	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-62.3	142.9	174.5	-71.1	0	0	0	0	113	V43 H44 E357 H361	V43-V60 CarbonylContact O-C 3.36Å; V43-V60 VanDerWaalsContact O-CA 3.31Å; V43-V60 WeakPolarHBondContact O-CA 3.31Å; H44-V60 VanDerWaalsContact NE2-CG1 3.3Å; H44-V60 WeakPolarHBondContact NE2-CG1 3.32Å; V60-E357 HydrophobicContact CG1-CG 3.86Å; V60-H361 HydrophobicContact CG2-CB 3.51Å; V60-H361 WeakPolarHBondContact CG2-ND1 3.18Å
61	R	89	Confident	89.3	Confident	36 Å²	36	41.8 Å²	41.8	14%	0.136	21%	0.208	C	C	.	.			trans	-106.3	123.8	176.7	-59	-177.1	77.8	171.3	2.3	109.1	V43 H44 G65 I66	V43-R61 PolarHBondContact O-N 2.9Å; H44-R61 WeakPolarHBondContact O-CD 3.32Å; R61-G65 VanDerWaalsContact O-CA 3.31Å; R61-G65 WeakPolarHBondContact O-CA 3.35Å; R61-G65 PolarHBondContact O-N 2.7Å; R61-I66 PolarHBondContact O-N 3.07Å
62	E	87.8	Confident	90.2	Very high	42 Å²	42	37 Å²	37	20%	0.196	19%	0.187	C	C	.	.	I	π-helix	trans	-69.3	-71	178.8	-178.5	175	138.2	0	0	111.8	G65 I66 Q67 F358 R362	E62-G65 CarbonylContact O-C 3.53Å; E62-G65 PolarHBondContact O-N 3.41Å; E62-I66 PolarHBondContact O-N 2.96Å; E62-Q67 HydrophobicContact CG-CG 4Å; E62-Q67 PolarHBondContact O-N 2.88Å; E62-Q67 PolarHBondContact OE1-NE2 2.97Å; E62-F358 HydrophobicContact CB-CE2 3.82Å; E62-F358 HydrophobicContact CG-CE2 3.61Å; E62-F358 HydrophobicContact CG-CZ 3.88Å; E62-F358 WeakPolarHBondContact OE2-CE2 3.41Å; E62-F358 WeakPolarHBondContact OE2-CZ 3.26Å; E62-R362 IonicContact OE1-CZ 3.26Å; E62-R362 IonicContact OE1-NH1 3.31Å; E62-R362 PolarHBondContact OE1-NH1 3.33Å; E62-R362 WeakPolarHBondContact OE2-CD 3.28Å; E62-R362 IonicContact OE2-CZ 2.76Å; E62-R362 IonicContact OE2-NE 3.4Å; E62-R362 IonicContact OE2-NH1 2.66Å; E62-R362 PolarHBondContact OE2-NH1 3.4Å
63	Q	85.4	Confident	91	Very high	68 Å²	68	34.3 Å²	34.3	32%	0.318	17%	0.171	S	C	.	.	I	π-helix	trans	-61.6	-57.8	-170.2	-68.4	162.1	-34.7	0	0	111.5	G65 D394	Q63-G65 PolarHBondContact O-N 3.39Å; Q63-D394 HydrophobicContact CB-CB 4.06Å
64	Y	87.3	Confident	91.7	Very high	28 Å²	28	29.1 Å²	29.1	11%	0.11	15%	0.146	C	C	.	.	I	π-helix	trans	-79.5	-2.7	-175.5	-71.4	6.4	0	0	0	114.7	R68 W100 D394	Y64-R68 PolarHBondContact O-NH1 3.16Å; Y64-W100 HydrophobicContact CD2-CZ3 4.16Å; Y64-D394 WeakPolarHBondContact CD1-OD1 3.33Å; Y64-D394 VanDerWaalsContact CE1-OD1 3.28Å; Y64-D394 WeakPolarHBondContact CE1-OD1 3.02Å
65	G	91.6	Very high	92.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-122.7	-92.1	-176.6	0	0	0	0	0	111.3	S42 R61 E62 Q63 Q67 R68 V69	S42-G65 WeakPolarHBondContact O-CA 3.48Å; R61-G65 VanDerWaalsContact O-CA 3.31Å; R61-G65 WeakPolarHBondContact O-CA 3.35Å; R61-G65 PolarHBondContact O-N 2.7Å; E62-G65 CarbonylContact O-C 3.53Å; E62-G65 PolarHBondContact O-N 3.41Å; Q63-G65 PolarHBondContact O-N 3.39Å; G65-Q67 PolarHBondContact O-N 3.14Å; G65-R68 WeakPolarHBondContact O-CB 3.23Å; G65-R68 PolarHBondContact O-N 3.16Å; G65-V69 WeakPolarHBondContact O-CG2 3.44Å; G65-V69 PolarHBondContact O-N 2.94Å
66	I	94.6	Very high	92.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-57.3	-43.9	-171.6	-57.5	-69.9	0	0	0	112.9	V43 R61 E62 R68 V69 E70 W354 F355 F358	V43-I66 HydrophobicContact CG1-CD1 3.81Å; R61-I66 PolarHBondContact O-N 3.07Å; E62-I66 PolarHBondContact O-N 2.96Å; I66-R68 VanDerWaalsContact C-N 3.27Å; I66-R68 PolarHBondContact O-N 2.84Å; I66-V69 PolarHBondContact O-N 3.48Å; I66-E70 HydrophobicContact CG2-CG 4.5Å; I66-E70 WeakPolarHBondContact O-CG 3.43Å; I66-E70 PolarHBondContact O-N 3.46Å; I66-W354 HydrophobicContact CD1-CB 3.58Å; I66-F355 HydrophobicContact CG2-CD2 4.23Å; I66-F358 HydrophobicContact CB-CD2 4.38Å; I66-F358 HydrophobicContact CB-CG 4.28Å; I66-F358 HydrophobicContact CD1-CB 3.94Å; I66-F358 HydrophobicContact CD1-CG 4.45Å; I66-F358 HydrophobicContact CG1-CB 3.84Å; I66-F358 HydrophobicContact CG1-CD2 3.97Å; I66-F358 HydrophobicContact CG1-CG 3.86Å; I66-F358 HydrophobicContact CG2-CB 4.42Å; I66-F358 HydrophobicContact CG2-CD1 3.81Å; I66-F358 HydrophobicContact CG2-CD2 4.46Å; I66-F358 HydrophobicContact CG2-CE1 4.19Å; I66-F358 HydrophobicContact CG2-CG 3.96Å
67	Q	95	Very high	93.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-61.2	-37.3	178.4	-64.9	-174.8	10.7	0	0	111.2	E62 G65 E70 A71 F337 Y341 V392 M397	E62-Q67 HydrophobicContact CG-CG 4Å; E62-Q67 PolarHBondContact O-N 2.88Å; E62-Q67 PolarHBondContact OE1-NE2 2.97Å; G65-Q67 PolarHBondContact O-N 3.14Å; Q67-E70 PolarHBondContact O-N 3.44Å; Q67-A71 VanDerWaalsContact O-CB 3.29Å; Q67-A71 WeakPolarHBondContact O-CB 3.4Å; Q67-A71 PolarHBondContact O-N 2.79Å; Q67-F337 HydrophobicContact CB-CE1 4.31Å; Q67-F337 HydrophobicContact CB-CZ 4.06Å; Q67-F337 WeakPolarHBondContact O-CZ 3.18Å; Q67-Y341 HydrophobicContact CG-CE1 4.24Å; Q67-Y341 HydrophobicContact CG-CE2 4.08Å; Q67-V392 PolarHBondContact NE2-O 3.45Å; Q67-M397 VanDerWaalsContact C-CE 3.42Å; Q67-M397 HydrophobicContact CB-CE 3.51Å; Q67-M397 WeakPolarHBondContact O-CE 3.43Å
68	R	95.9	Very high	93.6	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-71.2	-39.1	177.5	-63.6	-173.7	177.2	145.4	1.6	113.2	F41 Y64 G65 I66 E70 A71 M72 D394 M397 V400	F41-R68 HydrophobicContact CD1-CB 3.93Å; F41-R68 HydrophobicContact CD2-CB 4.06Å; F41-R68 HydrophobicContact CE1-CB 4.12Å; F41-R68 HydrophobicContact CE2-CB 4.25Å; F41-R68 WeakPolarHBondContact CE2-O 3.43Å; F41-R68 HydrophobicContact CG-CB 3.91Å; F41-R68 HydrophobicContact CZ-CB 4.29Å; Y64-R68 PolarHBondContact O-NH1 3.16Å; G65-R68 WeakPolarHBondContact O-CB 3.23Å; G65-R68 PolarHBondContact O-N 3.16Å; I66-R68 VanDerWaalsContact C-N 3.27Å; I66-R68 PolarHBondContact O-N 2.84Å; R68-E70 VanDerWaalsContact C-N 3.33Å; R68-A71 PolarHBondContact O-N 2.77Å; R68-M72 PolarHBondContact O-N 2.86Å; R68-D394 IonicContact CZ-OD1 2.71Å; R68-D394 IonicContact CZ-OD2 2.69Å; R68-D394 IonicContact NE-OD2 2.84Å; R68-D394 PolarHBondContact NE-OD2 2.97Å; R68-D394 IonicContact NH2-OD1 3.62Å; R68-D394 PolarHBondContact NH2-OD1 3.18Å; R68-D394 IonicContact NH2-OD2 2.75Å; R68-D394 PolarHBondContact NH2-OD2 3.49Å; R68-M397 HydrophobicContact CG-CE 4.29Å; R68-M397 HydrophobicContact CG-SD 4.34Å; R68-V400 HydrophobicContact CG-CG2 4.07Å
69	V	97.4	Very high	94	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.3	-51.5	172	177	0	0	0	0	109.5	A29 F41 V43 G65 I66 M72 L73 I95	A29-V69 HydrophobicContact CB-CG1 4.49Å; F41-V69 HydrophobicContact CB-CG2 4.48Å; F41-V69 HydrophobicContact CD2-CG2 3.95Å; V43-V69 HydrophobicContact CG2-CG2 3.97Å; G65-V69 WeakPolarHBondContact O-CG2 3.44Å; G65-V69 PolarHBondContact O-N 2.94Å; I66-V69 PolarHBondContact O-N 3.48Å; V69-M72 PolarHBondContact O-N 3.43Å; V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 VanDerWaalsContact O-CG 3.27Å; V69-L73 WeakPolarHBondContact O-CG 3.35Å; V69-L73 PolarHBondContact O-N 3.46Å; V69-L73 VanDerWaalsContact O-N 3.08Å; V69-I95 HydrophobicContact CG1-CD1 4.13Å; V69-I95 HydrophobicContact CG1-CG2 4.49Å; V69-I95 HydrophobicContact CG2-CG2 4.11Å
70	E	97	Very high	94.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-40.1	179.1	-73.9	-52.9	142.5	0	0	113.3	I66 Q67 R68 L73 H74 F337 Y340 Y341 L344 N349 N352	I66-E70 HydrophobicContact CG2-CG 4.5Å; I66-E70 WeakPolarHBondContact O-CG 3.43Å; I66-E70 PolarHBondContact O-N 3.46Å; Q67-E70 PolarHBondContact O-N 3.44Å; R68-E70 VanDerWaalsContact C-N 3.33Å; E70-L73 PolarHBondContact O-N 3.02Å; E70-H74 WeakPolarHBondContact O-CB 3.45Å; E70-H74 PolarHBondContact O-N 3.5Å; E70-F337 HydrophobicContact CB-CE2 4.03Å; E70-F337 HydrophobicContact CB-CZ 4.36Å; E70-Y340 HydrophobicContact CB-CE1 4.12Å; E70-Y340 PolarHBondContact OE2-OH 3.28Å; E70-Y341 HydrophobicContact CB-CD2 4.19Å; E70-Y341 HydrophobicContact CB-CE2 4.48Å; E70-Y341 HydrophobicContact CG-CD2 4.28Å; E70-Y341 HydrophobicContact CG-CE2 4.26Å; E70-L344 HydrophobicContact CB-CD1 4.42Å; E70-L344 HydrophobicContact CG-CD1 3.81Å; E70-L344 WeakPolarHBondContact OE2-CD1 3.47Å; E70-N349 PolarHBondContact OE1-ND2 2.69Å; E70-N352 WeakPolarHBondContact OE1-CB 3.48Å; E70-N352 PolarHBondContact OE1-ND2 2.96Å
71	A	96.8	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-39.1	177.8	0	0	0	0	0	112	Q67 R68 T75 F337 M397	Q67-A71 VanDerWaalsContact O-CB 3.29Å; Q67-A71 WeakPolarHBondContact O-CB 3.4Å; Q67-A71 PolarHBondContact O-N 2.79Å; R68-A71 PolarHBondContact O-N 2.77Å; A71-T75 VanDerWaalsContact O-CB 3.25Å; A71-T75 WeakPolarHBondContact O-CB 3.38Å; A71-T75 PolarHBondContact O-N 3.33Å; A71-T75 PolarHBondContact O-OG1 3.02Å; A71-F337 HydrophobicContact CB-CD2 3.75Å; A71-F337 HydrophobicContact CB-CE2 3.63Å; A71-F337 HydrophobicContact CB-CZ 4.32Å; A71-M397 HydrophobicContact CB-CE 3.9Å; A71-M397 HydrophobicContact CB-CG 4.25Å; A71-M397 HydrophobicContact CB-SD 3.22Å; A71-M397 WeakPolarHBondContact CB-SD 3.4Å
72	M	97.9	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65	-47.8	175.1	-177.8	173.3	-176.6	0	0	111.6	I37 A39 F41 R68 V69 H74 T75 L76 C93 I95 I404	I37-M72 HydrophobicContact CB-CE 4.39Å; I37-M72 HydrophobicContact CG2-CE 4.01Å; A39-M72 HydrophobicContact CB-CE 3.87Å; A39-M72 HydrophobicContact CB-SD 3.37Å; A39-M72 WeakPolarHBondContact CB-SD 3.19Å; F41-M72 HydrophobicContact CE2-CB 3.74Å; F41-M72 HydrophobicContact CE2-CG 4.37Å; F41-M72 HydrophobicContact CE2-SD 3.73Å; F41-M72 HydrophobicContact CZ-CB 3.94Å; F41-M72 HydrophobicContact CZ-CG 4.45Å; F41-M72 HydrophobicContact CZ-SD 3.79Å; R68-M72 PolarHBondContact O-N 2.86Å; V69-M72 PolarHBondContact O-N 3.43Å; M72-H74 VanDerWaalsContact C-N 3.34Å; M72-H74 PolarHBondContact O-N 3.1Å; M72-T75 PolarHBondContact O-N 3.38Å; M72-L76 HydrophobicContact CE-CD1 4.16Å; M72-L76 HydrophobicContact CG-CD1 4.21Å; M72-L76 WeakPolarHBondContact O-CG 3.25Å; M72-L76 PolarHBondContact O-N 2.98Å; M72-C93 HydrophobicContact CE-CB 3.7Å; M72-I95 HydrophobicContact CB-CD1 4.15Å; M72-I95 HydrophobicContact CG-CD1 4.16Å; M72-I95 HydrophobicContact SD-CD1 3.88Å; M72-I95 HydrophobicContact SD-CG1 3.87Å; M72-I404 HydrophobicContact CB-CD1 3.85Å; M72-I404 HydrophobicContact CG-CD1 3.74Å; M72-I404 HydrophobicContact CG-CG1 4.38Å
73	L	97.4	Very high	95.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-56.5	-47.9	177.4	-68.1	167.5	0	0	0	110.9	M31 V69 E70 L76 E77 I95 R351	M31-L73 HydrophobicContact CB-CD2 4.49Å; M31-L73 HydrophobicContact CE-CB 4.35Å; M31-L73 HydrophobicContact CE-CD2 3.88Å; M31-L73 WeakPolarHBondContact CE-O 3.38Å; V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 VanDerWaalsContact O-CG 3.27Å; V69-L73 WeakPolarHBondContact O-CG 3.35Å; V69-L73 PolarHBondContact O-N 3.46Å; V69-L73 VanDerWaalsContact O-N 3.08Å; E70-L73 PolarHBondContact O-N 3.02Å; L73-L76 PolarHBondContact O-N 3.42Å; L73-E77 PolarHBondContact O-N 3.12Å; L73-E77 VanDerWaalsContact O-N 3.11Å; L73-I95 HydrophobicContact CD2-CD1 4.02Å; L73-I95 HydrophobicContact CG-CD1 3.95Å; L73-R351 HydrophobicContact CD1-CG 4.22Å
74	H	96.9	Very high	95.5	Very high	32 Å²	32	31.8 Å²	31.8	15%	0.148	17%	0.174	C	C	.	.	H	α-helix	trans	-73.8	-30.2	179.9	-164.9	48.2	0	0	0	113.7	E70 M72 L76 E77 R78 W336 Y340	E70-H74 WeakPolarHBondContact O-CB 3.45Å; E70-H74 PolarHBondContact O-N 3.5Å; M72-H74 VanDerWaalsContact C-N 3.34Å; M72-H74 PolarHBondContact O-N 3.1Å; H74-L76 VanDerWaalsContact C-N 3.33Å; H74-L76 PolarHBondContact O-N 3.29Å; H74-E77 IonicContact CE1-OE2 3.52Å; H74-E77 IonicContact CG-OE2 3.14Å; H74-E77 IonicContact ND1-OE2 3.04Å; H74-E77 PolarHBondContact ND1-OE2 3.2Å; H74-E77 WeakPolarHBondContact O-CB 3.44Å; H74-E77 PolarHBondContact O-N 3.45Å; H74-R78 WeakPolarHBondContact O-CG 3.5Å; H74-R78 PolarHBondContact O-N 3.5Å; H74-W336 AromaticContact CD2-CE3 3.71Å; H74-W336 AromaticContact CD2-CZ3 3.68Å; H74-Y340 HydrophobicContact CB-CD1 3.81Å; H74-Y340 HydrophobicContact CB-CD2 4.17Å; H74-Y340 HydrophobicContact CB-CE1 3.72Å; H74-Y340 HydrophobicContact CB-CE2 4.09Å; H74-Y340 HydrophobicContact CB-CG 4.05Å; H74-Y340 AromaticContact CD2-CD1 3.98Å; H74-Y340 AromaticContact CD2-CD2 3.79Å; H74-Y340 AromaticContact CD2-CG 3.48Å; H74-Y340 VanDerWaalsContact CD2-CG 3.48Å; H74-Y340 AromaticContact CE1-CD2 3.8Å; H74-Y340 AromaticContact CG-CD1 3.88Å; H74-Y340 AromaticContact CG-CD2 3.57Å; H74-Y340 AromaticContact CG-CE2 3.88Å; H74-Y340 AromaticContact CG-CG 3.59Å; H74-Y340 AromaticContact ND1-CD2 3.56Å; H74-Y340 AromaticContact ND1-CE2 3.79Å; H74-Y340 AromaticContact NE2-CD2 3.96Å; H74-Y340 AromaticContact NE2-CG 3.96Å
75	T	97.6	Very high	95.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-41.1	173	-57.4	0	0	0	0	110.9	A71 M72 R78 I79 I401 I404 Y405	A71-T75 VanDerWaalsContact O-CB 3.25Å; A71-T75 WeakPolarHBondContact O-CB 3.38Å; A71-T75 PolarHBondContact O-N 3.33Å; A71-T75 PolarHBondContact O-OG1 3.02Å; M72-T75 PolarHBondContact O-N 3.38Å; T75-R78 PolarHBondContact O-N 3.44Å; T75-I79 HydrophobicContact CG2-CD1 3.93Å; T75-I79 WeakPolarHBondContact O-CG1 3.15Å; T75-I79 PolarHBondContact O-N 3.03Å; T75-I401 HydrophobicContact CG2-CG2 4.1Å; T75-I404 HydrophobicContact CG2-CB 4.02Å; T75-I404 HydrophobicContact CG2-CD1 4.17Å; T75-I404 HydrophobicContact CG2-CG2 3.65Å; T75-Y405 HydrophobicContact CG2-CE2 4.15Å
76	L	97.4	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.8	-37.6	175.9	-66.5	174.8	0	0	0	112.1	M31 M72 L73 H74 R78 I79 N80 L91 C93 I404	M31-L76 HydrophobicContact CE-CB 4.36Å; M31-L76 HydrophobicContact SD-CB 4Å; M31-L76 HydrophobicContact SD-CD1 4.48Å; M72-L76 HydrophobicContact CE-CD1 4.16Å; M72-L76 HydrophobicContact CG-CD1 4.21Å; M72-L76 WeakPolarHBondContact O-CG 3.25Å; M72-L76 PolarHBondContact O-N 2.98Å; L73-L76 PolarHBondContact O-N 3.42Å; H74-L76 VanDerWaalsContact C-N 3.33Å; H74-L76 PolarHBondContact O-N 3.29Å; L76-R78 VanDerWaalsContact C-N 3.29Å; L76-R78 PolarHBondContact O-N 2.87Å; L76-I79 PolarHBondContact O-N 3.42Å; L76-N80 VanDerWaalsContact O-CB 3.25Å; L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 PolarHBondContact O-N 3.08Å; L76-N80 PolarHBondContact O-ND2 3.12Å; L76-L91 HydrophobicContact CD2-CB 3.84Å; L76-L91 HydrophobicContact CD2-CD1 4.07Å; L76-C93 HydrophobicContact CD1-CB 3.65Å; L76-I404 HydrophobicContact CD2-CG2 3.97Å
77	E	95.9	Very high	95.8	Very high	62 Å²	62	33.1 Å²	33.1	29%	0.29	19%	0.185	S	C	.	.	H	α-helix	trans	-57.6	-42	169.6	-71.3	179.3	134.2	0	0	112.3	M31 L73 H74 S81 R351	M31-E77 HydrophobicContact CE-CG 4.28Å; L73-E77 PolarHBondContact O-N 3.12Å; L73-E77 VanDerWaalsContact O-N 3.11Å; H74-E77 IonicContact CE1-OE2 3.52Å; H74-E77 IonicContact CG-OE2 3.14Å; H74-E77 IonicContact ND1-OE2 3.04Å; H74-E77 PolarHBondContact ND1-OE2 3.2Å; H74-E77 WeakPolarHBondContact O-CB 3.44Å; H74-E77 PolarHBondContact O-N 3.45Å; E77-S81 WeakPolarHBondContact O-CB 3.44Å; E77-S81 PolarHBondContact O-N 3.45Å; E77-S81 VanDerWaalsContact O-N 3.14Å; E77-S81 PolarHBondContact O-OG 3.01Å; E77-R351 VanDerWaalsContact CD-NH2 3.28Å; E77-R351 IonicContact OE1-CZ 3.59Å; E77-R351 IonicContact OE1-NH1 3.44Å; E77-R351 PolarHBondContact OE1-NH1 3.43Å; E77-R351 IonicContact OE1-NH2 3.28Å; E77-R351 PolarHBondContact OE1-NH2 2.66Å; E77-R351 IonicContact OE2-CZ 2.76Å; E77-R351 IonicContact OE2-NH1 3.62Å; E77-R351 IonicContact OE2-NH2 2.66Å; E77-R351 PolarHBondContact OE2-NH2 3.14Å
78	R	96.1	Very high	95.8	Very high	108 Å²	108	39.2 Å²	39.2	41%	0.408	22%	0.218	S	C	.	.	H	α-helix	trans	-66.7	-45.1	178	-69.3	-178.9	69	83.5	10.1	112.1	H74 T75 L76 S81 D82	H74-R78 WeakPolarHBondContact O-CG 3.5Å; H74-R78 PolarHBondContact O-N 3.5Å; T75-R78 PolarHBondContact O-N 3.44Å; L76-R78 VanDerWaalsContact C-N 3.29Å; L76-R78 PolarHBondContact O-N 2.87Å; R78-S81 CarbonylContact O-C 3.57Å; R78-S81 PolarHBondContact O-N 3.3Å; R78-S81 VanDerWaalsContact O-N 3.16Å; R78-D82 PolarHBondContact O-N 3.38Å
79	I	97	Very high	95.7	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-45.7	177.5	-67	164.5	0	0	0	110.6	T75 L76 S81 D82 L85 L91 I404 Y405 A408	T75-I79 HydrophobicContact CG2-CD1 3.93Å; T75-I79 WeakPolarHBondContact O-CG1 3.15Å; T75-I79 PolarHBondContact O-N 3.03Å; L76-I79 PolarHBondContact O-N 3.42Å; I79-S81 PolarHBondContact O-N 3.31Å; I79-S81 VanDerWaalsContact O-N 3.09Å; I79-D82 PolarHBondContact O-N 3.19Å; I79-L85 HydrophobicContact CG1-CD2 4.46Å; I79-L85 HydrophobicContact CG2-CD2 4.22Å; I79-L91 HydrophobicContact CG2-CD1 3.9Å; I79-I404 HydrophobicContact CD1-CG2 3.82Å; I79-Y405 HydrophobicContact CD1-CD1 3.97Å; I79-Y405 HydrophobicContact CD1-CE1 3.94Å; I79-Y405 HydrophobicContact CG1-CD1 4.11Å; I79-Y405 HydrophobicContact CG1-CE1 3.64Å; I79-A408 HydrophobicContact CD1-CB 4.02Å; I79-A408 HydrophobicContact CG2-CB 4.36Å
80	N	96.9	Very high	95.7	Very high	60 Å²	60	42.5 Å²	42.5	32%	0.321	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.6	176.1	-67.2	-23.6	0	0	0	113.6	L76 L91	L76-N80 VanDerWaalsContact O-CB 3.25Å; L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 PolarHBondContact O-N 3.08Å; L76-N80 PolarHBondContact O-ND2 3.12Å; N80-L91 PolarHBondContact ND2-O 3.21Å; N80-L91 PolarHBondContact OD1-N 3.4Å
81	S	96.5	Very high	95.7	Very high	97 Å²	97	42.5 Å²	42.5	68%	0.678	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-5.1	174	-55.4	0	0	0	0	113.3	E77 R78 I79	E77-S81 WeakPolarHBondContact O-CB 3.44Å; E77-S81 PolarHBondContact O-N 3.45Å; E77-S81 VanDerWaalsContact O-N 3.14Å; E77-S81 PolarHBondContact O-OG 3.01Å; R78-S81 CarbonylContact O-C 3.57Å; R78-S81 PolarHBondContact O-N 3.3Å; R78-S81 VanDerWaalsContact O-N 3.16Å; I79-S81 PolarHBondContact O-N 3.31Å; I79-S81 VanDerWaalsContact O-N 3.09Å
82	D	94.4	Very high	95.6	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	24%	0.238	S	C	.	.			trans	-94.2	115.4	-177.2	-166.4	-36	0	0	0	110.4	R78 I79 T84	R78-D82 PolarHBondContact O-N 3.38Å; I79-D82 PolarHBondContact O-N 3.19Å; D82-T84 PolarHBondContact O-N 3.49Å; D82-T84 VanDerWaalsContact OD1-CB 3.31Å; D82-T84 WeakPolarHBondContact OD1-CB 3.36Å; D82-T84 PolarHBondContact OD1-N 3.22Å; D82-T84 PolarHBondContact OD1-OG1 2.94Å
83	P	93.1	Very high	95.5	Very high	110 Å²	110	42.5 Å²	42.5	71%	0.714	24%	0.238	S	C	*	.	S	Bend	trans	-73.9	-8.2	-179.6	32.1	-36.5	0	0	0	113.6
84	T	92.1	Very high	95.4	Very high	100 Å²	100	42.8 Å²	42.8	61%	0.613	24%	0.239	S	C	*	.	S	Bend	trans	-87.5	-34.7	-178.4	70.2	0	0	0	0	112.6	D82	D82-T84 PolarHBondContact O-N 3.49Å; D82-T84 VanDerWaalsContact OD1-CB 3.31Å; D82-T84 WeakPolarHBondContact OD1-CB 3.36Å; D82-T84 PolarHBondContact OD1-N 3.22Å; D82-T84 PolarHBondContact OD1-OG1 2.94Å
85	L	93.8	Very high	95.4	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.037	23%	0.232	C	C	.	.	S	Bend	trans	-108.1	119.7	-174	-172.2	62.3	0	0	0	110.1	I79 Y405 A408 Y409 H412	I79-L85 HydrophobicContact CG1-CD2 4.46Å; I79-L85 HydrophobicContact CG2-CD2 4.22Å; L85-Y405 HydrophobicContact CD2-CD1 4.19Å; L85-A408 HydrophobicContact CD2-CB 3.8Å; L85-A408 HydrophobicContact CG-CB 4.36Å; L85-Y409 HydrophobicContact CD1-CD1 3.71Å; L85-Y409 HydrophobicContact CD1-CE1 3.83Å; L85-Y409 HydrophobicContact CD1-CG 4.16Å; L85-Y409 HydrophobicContact CD2-CE2 4.36Å; L85-H412 HydrophobicContact CD1-CB 3.65Å
86	L	94.4	Very high	95.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	23%	0.234	C	C	.	.	S	Bend	trans	56.1	50.4	-179.5	-64.5	168.1	0	0	0	115.2	N88 I89 L91 A408 L411 H412	L86-N88 PolarHBondContact O-N 3.11Å; L86-I89 HydrophobicContact CB-CB 4.26Å; L86-I89 HydrophobicContact CD2-CD1 4Å; L86-I89 PolarHBondContact O-N 3.34Å; L86-I89 VanDerWaalsContact O-N 3.11Å; L86-L91 HydrophobicContact CD1-CD1 3.77Å; L86-L91 HydrophobicContact CD1-CD2 3.91Å; L86-L91 HydrophobicContact CD1-CG 3.94Å; L86-A408 HydrophobicContact CD1-CB 4.1Å; L86-L411 HydrophobicContact CD1-CB 4.25Å; L86-L411 HydrophobicContact CD2-CB 3.94Å; L86-H412 HydrophobicContact CD2-CB 3.97Å; L86-H412 HydrophobicContact CG-CB 4.12Å; L86-H412 PolarHBondContact N-ND1 2.63Å
87	P	93.2	Very high	95.2	Very high	45 Å²	45	42.5 Å²	42.5	29%	0.292	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	131.8	-179	26	-35.1	0	0	0	112.3	I89 G424	P87-I89 VanDerWaalsContact C-N 3.34Å; P87-G424 PolarHBondContact O-N 2.85Å
88	N	93.8	Very high	95.1	Very high	129 Å²	129	39.6 Å²	39.6	69%	0.69	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	30.2	-175.6	-163.8	46.4	0	0	0	114.5	L86 A423 G424	L86-N88 PolarHBondContact O-N 3.11Å; N88-A423 HydrophobicContact CB-CB 4.1Å; N88-A423 PolarHBondContact ND2-O 3.22Å; N88-G424 VanDerWaalsContact O-CA 3.29Å; N88-G424 WeakPolarHBondContact O-CA 3.46Å
89	I	94.9	Very high	94.9	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.056	21%	0.205	C	C	.	.			trans	-132.5	121	171	-55.9	175.6	0	0	0	108.8	D34 I35 L86 P87 Q415 L425	D34-I89 HydrophobicContact CB-CG2 4.16Å; I35-I89 HydrophobicContact CD1-CG2 3.67Å; I35-I89 HydrophobicContact CG1-CG2 3.93Å; L86-I89 HydrophobicContact CB-CB 4.26Å; L86-I89 HydrophobicContact CD2-CD1 4Å; L86-I89 PolarHBondContact O-N 3.34Å; L86-I89 VanDerWaalsContact O-N 3.11Å; P87-I89 VanDerWaalsContact C-N 3.34Å; I89-Q415 HydrophobicContact CD1-CG 4.3Å; I89-L425 HydrophobicContact CD1-CD2 4.13Å; I89-L425 HydrophobicContact CD1-CG 4.25Å; I89-L425 HydrophobicContact CG1-CG 4.37Å
90	T	96	Very high	94.5	Very high	59 Å²	59	36.5 Å²	36.5	36%	0.362	21%	0.213	S	C	.	.			trans	-85.5	126.7	174.3	-36.1	0	0	0	0	110.7	D34 I35	D34-T90 WeakPolarHBondContact CA-O 3.25Å; D34-T90 WeakPolarHBondContact CB-O 3.3Å; D34-T90 PolarHBondContact N-O 3.45Å; D34-T90 WeakPolarHBondContact OD2-CB 3.49Å; D34-T90 PolarHBondContact OD2-N 3.26Å; D34-T90 PolarHBondContact OD2-OG1 2.88Å; I35-T90 PolarHBondContact N-O 2.97Å
91	L	96.7	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.2	166.6	-63.1	-173.3	0	0	0	110.7	I35 I37 L76 I79 N80 L86 A408 L411	I35-L91 HydrophobicContact CB-CD2 3.99Å; I35-L91 HydrophobicContact CD1-CD2 4.21Å; I37-L91 HydrophobicContact CD1-CD1 4.09Å; I37-L91 HydrophobicContact CD1-CD2 4.36Å; L76-L91 HydrophobicContact CD2-CB 3.84Å; L76-L91 HydrophobicContact CD2-CD1 4.07Å; I79-L91 HydrophobicContact CG2-CD1 3.9Å; N80-L91 PolarHBondContact ND2-O 3.21Å; N80-L91 PolarHBondContact OD1-N 3.4Å; L86-L91 HydrophobicContact CD1-CD1 3.77Å; L86-L91 HydrophobicContact CD1-CD2 3.91Å; L86-L91 HydrophobicContact CD1-CG 3.94Å; L91-A408 HydrophobicContact CD1-CB 4.04Å; L91-L411 HydrophobicContact CD2-CD1 3.99Å
92	G	95.9	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	178	169	0	0	0	0	0	111.8	M31 I35 I37	M31-G92 CarbonylContact O-C 3.58Å; M31-G92 WeakPolarHBondContact O-CA 3.4Å; I35-G92 PolarHBondContact O-N 3.28Å; I37-G92 PolarHBondContact N-O 2.78Å
93	C	95.9	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	154.5	-178.9	65.9	0	0	0	0	114.9	H30 M31 I37 M72 L76 I95	H30-C93 VanDerWaalsContact CA-O 3.32Å; H30-C93 WeakPolarHBondContact CA-O 3.45Å; M31-C93 PolarHBondContact N-O 3.4Å; M31-C93 PolarHBondContact O-N 2.94Å; I37-C93 WeakPolarHBondContact O-CA 3.4Å; I37-C93 WeakPolarHBondContact O-CB 3.32Å; M72-C93 HydrophobicContact CE-CB 3.7Å; L76-C93 HydrophobicContact CD1-CB 3.65Å; C93-I95 HydrophobicContact CB-CG1 4.47Å
94	E	94.8	Very high	93.6	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.1	158.1	-77.3	-154.4	175.2	0	0	110.2	V28 I36 I37 G38 A39 R96 F112 K140 I143	V28-E94 HydrophobicContact CG2-CB 4.03Å; V28-E94 HydrophobicContact CG2-CG 4.13Å; I36-E94 HydrophobicContact CG2-CG 4.39Å; I37-E94 PolarHBondContact O-N 2.94Å; I37-E94 VanDerWaalsContact O-N 3.12Å; G38-E94 CarbonylContact C-O 3.5Å; G38-E94 WeakPolarHBondContact CA-O 3.32Å; A39-E94 PolarHBondContact N-O 2.74Å; E94-R96 IonicContact OE2-CZ 2.73Å; E94-R96 IonicContact OE2-NE 3.83Å; E94-R96 PolarHBondContact OE2-NE 2.99Å; E94-R96 IonicContact OE2-NH2 3.51Å; E94-R96 PolarHBondContact OE2-NH2 3.46Å; E94-F112 HydrophobicContact CB-CE1 3.94Å; E94-K140 WeakPolarHBondContact OE1-CE 3.39Å; E94-K140 IonicContact OE1-NZ 3.82Å; E94-K140 PolarHBondContact OE1-NZ 3.05Å; E94-K140 IonicContact OE2-NZ 3.67Å; E94-I143 HydrophobicContact CB-CD1 4.45Å
95	I	97	Very high	93.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.7	177.1	-49.3	176.2	0	0	0	108.4	A29 A39 F41 V69 M72 L73 C93	A29-I95 HydrophobicContact CB-CB 4.22Å; A29-I95 PolarHBondContact N-O 2.97Å; A29-I95 PolarHBondContact O-N 3.25Å; A39-I95 HydrophobicContact CB-CG1 4.34Å; A39-I95 HydrophobicContact CB-CG2 4.35Å; F41-I95 HydrophobicContact CD2-CG2 3.52Å; F41-I95 HydrophobicContact CE2-CD1 4.42Å; F41-I95 HydrophobicContact CE2-CG2 3.98Å; F41-I95 HydrophobicContact CG-CG2 4.46Å; V69-I95 HydrophobicContact CG1-CD1 4.13Å; V69-I95 HydrophobicContact CG1-CG2 4.49Å; V69-I95 HydrophobicContact CG2-CG2 4.11Å; M72-I95 HydrophobicContact CB-CD1 4.15Å; M72-I95 HydrophobicContact CG-CD1 4.16Å; M72-I95 HydrophobicContact SD-CD1 3.88Å; M72-I95 HydrophobicContact SD-CG1 3.87Å; L73-I95 HydrophobicContact CD2-CD1 4.02Å; L73-I95 HydrophobicContact CG-CD1 3.95Å; C93-I95 HydrophobicContact CB-CG1 4.47Å
96	R	95.4	Very high	93.7	Very high	10 Å²	10	25.1 Å²	25.1	4%	0.038	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.3	-178.8	-63.2	-176.4	179	-128.5	13.5	110.6	V28 A39 L40 F41 E94 Q108 E111 F112	V28-R96 HydrophobicContact CB-CG 4.28Å; V28-R96 HydrophobicContact CG2-CG 3.85Å; A39-R96 PolarHBondContact O-N 3.42Å; L40-R96 HydrophobicContact CD2-CB 4.3Å; F41-R96 PolarHBondContact N-O 3.43Å; E94-R96 IonicContact OE2-CZ 2.73Å; E94-R96 IonicContact OE2-NE 3.83Å; E94-R96 PolarHBondContact OE2-NE 2.99Å; E94-R96 IonicContact OE2-NH2 3.51Å; E94-R96 PolarHBondContact OE2-NH2 3.46Å; R96-Q108 HydrophobicContact CB-CB 3.98Å; R96-Q108 HydrophobicContact CB-CG 4.03Å; R96-E111 IonicContact NH1-OE2 3.57Å; R96-F112 HydrophobicContact CB-CE1 4.33Å; R96-F112 HydrophobicContact CB-CZ 4.12Å; R96-F112 HydrophobicContact CG-CE1 3.72Å; R96-F112 HydrophobicContact CG-CZ 4.02Å
97	D	95.7	Very high	93.6	Very high	16 Å²	16	27 Å²	27	9%	0.086	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.7	-178.9	-169.4	13.5	0	0	0	112.5	F41 V43 H44 C99 Q108 W354	F41-D97 VanDerWaalsContact O-OD1 3.13Å; V43-D97 HydrophobicContact CB-CB 4.16Å; V43-D97 HydrophobicContact CG2-CB 4.08Å; V43-D97 PolarHBondContact N-OD1 3.23Å; H44-D97 IonicContact CE1-OD2 2.67Å; H44-D97 IonicContact CG-OD2 2.68Å; H44-D97 PolarHBondContact N-OD2 3.01Å; H44-D97 IonicContact ND1-OD2 2.63Å; H44-D97 PolarHBondContact ND1-OD2 2.98Å; D97-C99 PolarHBondContact OD1-N 3.27Å; D97-C99 PolarHBondContact OD2-SG 2.69Å; D97-Q108 VanDerWaalsContact O-CG 3.31Å; D97-Q108 WeakPolarHBondContact O-CG 3.45Å; D97-W354 HydrophobicContact CB-CZ2 4.43Å
98	S	93.9	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.			trans	-94.4	-17	174.1	57	0	0	0	0	113.7	F41 S42 W100 H101	F41-S98 VanDerWaalsContact C-OG 3.24Å; F41-S98 WeakPolarHBondContact O-CB 3.37Å; F41-S98 PolarHBondContact O-N 3.49Å; F41-S98 PolarHBondContact O-OG 3.18Å; S42-S98 WeakPolarHBondContact CA-OG 3.2Å; S42-S98 PolarHBondContact N-OG 2.86Å; S42-S98 PolarHBondContact OG-OG 3.43Å; S98-W100 PolarHBondContact O-N 2.93Å; S98-H101 PolarHBondContact O-N 3.48Å
99	C	92	Very high	93.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	25.6	-171.6	-56.6	0	0	0	0	114.9	Q46 C57 D97 H101 V104	Q46-C99 WeakPolarHBondContact CA-O 3.28Å; Q46-C99 WeakPolarHBondContact CB-O 3.45Å; Q46-C99 PolarHBondContact N-O 3.16Å; C57-C99 HydrophobicContact CB-CB 3.73Å; C57-C99 WeakPolarHBondContact CB-SG 3.06Å; C57-C99 WeakPolarHBondContact SG-CB 3.38Å; C57-C99 CovalentContact SG-SG 2.03Å; C57-C99 PolarHBondContact SG-SG 3.14Å; D97-C99 PolarHBondContact OD1-N 3.27Å; D97-C99 PolarHBondContact OD2-SG 2.69Å; C99-H101 PolarHBondContact O-N 2.85Å; C99-H101 VanDerWaalsContact O-N 3.12Å; C99-V104 HydrophobicContact CB-CB 4.44Å; C99-V104 HydrophobicContact CB-CG1 4.2Å
100	W	86.9	Confident	93.5	Very high	46 Å²	46	22.5 Å²	22.5	17%	0.174	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	22.1	-172	-155.5	-92.9	0	0	0	114.4	Q46 Y64 S98 G150	Q46-W100 HydrophobicContact CB-CB 4.44Å; Y64-W100 HydrophobicContact CD2-CZ3 4.16Å; S98-W100 PolarHBondContact O-N 2.93Å; W100-G150 VanDerWaalsContact CH2-O 3.27Å; W100-G150 WeakPolarHBondContact CH2-O 3.3Å
101	H	89.3	Confident	93.2	Very high	48 Å²	48	21.4 Å²	21.4	22%	0.222	11%	0.114	C	C	.	.			trans	-132.9	134.7	-171.9	-171.3	64.8	0	0	0	113.2	P47 S98 C99 A103 V104 A105	P47-H101 HydrophobicContact CG-CB 4.42Å; S98-H101 PolarHBondContact O-N 3.48Å; C99-H101 PolarHBondContact O-N 2.85Å; C99-H101 VanDerWaalsContact O-N 3.12Å; H101-A103 PolarHBondContact O-N 3.4Å; H101-V104 PolarHBondContact O-N 2.92Å; H101-A105 PolarHBondContact O-N 2.87Å
102	S	90.1	Very high	92.9	Very high	49 Å²	49	21.5 Å²	21.5	34%	0.343	11%	0.114	S	C	.	.	H	α-helix	trans	-56.7	-48.8	-172.4	51.3	0	0	0	0	113.6	V104 A105 L106	S102-V104 VanDerWaalsContact C-N 3.33Å; S102-V104 PolarHBondContact O-N 3.37Å; S102-A105 PolarHBondContact O-N 2.96Å; S102-L106 VanDerWaalsContact O-CB 3.27Å; S102-L106 WeakPolarHBondContact O-CB 3.33Å; S102-L106 PolarHBondContact O-N 3.21Å
103	A	91.1	Very high	92.6	Very high	40 Å²	40	21.9 Å²	21.9	33%	0.331	12%	0.117	S	C	.	.	H	α-helix	trans	-64.2	-34.6	-178	0	0	0	0	0	113.3	H101 E107	H101-A103 PolarHBondContact O-N 3.4Å; A103-E107 WeakPolarHBondContact O-CB 3.26Å; A103-E107 PolarHBondContact O-N 3.26Å; A103-E107 VanDerWaalsContact O-N 3.07Å
104	V	92.5	Very high	92.1	Very high	2 Å²	2	28 Å²	28	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-76.5	-44.7	179.3	178.4	0	0	0	0	110.8	R55 C99 H101 S102 L106 E107 Q108	R55-V104 HydrophobicContact CB-CG2 4.24Å; C99-V104 HydrophobicContact CB-CB 4.44Å; C99-V104 HydrophobicContact CB-CG1 4.2Å; H101-V104 PolarHBondContact O-N 2.92Å; S102-V104 VanDerWaalsContact C-N 3.33Å; S102-V104 PolarHBondContact O-N 3.37Å; V104-L106 VanDerWaalsContact C-N 3.29Å; V104-L106 PolarHBondContact O-N 3.35Å; V104-E107 WeakPolarHBondContact O-CB 3.38Å; V104-E107 PolarHBondContact O-N 3.08Å; V104-Q108 PolarHBondContact O-N 3.41Å
105	A	94.6	Very high	90.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-38.2	175.1	0	0	0	0	0	112.2	H101 S102 Q108 S109 V154 V158	H101-A105 PolarHBondContact O-N 2.87Å; S102-A105 PolarHBondContact O-N 2.96Å; A105-Q108 PolarHBondContact O-N 3.09Å; A105-S109 WeakPolarHBondContact O-CB 3.3Å; A105-S109 PolarHBondContact O-N 2.91Å; A105-S109 PolarHBondContact O-OG 3.01Å; A105-V154 HydrophobicContact CB-CG1 3.34Å; A105-V158 HydrophobicContact CB-CG2 4.14Å
106	L	93.4	Very high	89.5	Confident	59 Å²	59	30.4 Å²	30.4	31%	0.309	15%	0.154	S	C	.	.	H	α-helix	trans	-68.9	-40.4	176	-169.8	65.9	0	0	0	111.8	S102 V104 Q108 S109 I110 L161	S102-L106 VanDerWaalsContact O-CB 3.27Å; S102-L106 WeakPolarHBondContact O-CB 3.33Å; S102-L106 PolarHBondContact O-N 3.21Å; V104-L106 VanDerWaalsContact C-N 3.29Å; V104-L106 PolarHBondContact O-N 3.35Å; L106-Q108 VanDerWaalsContact C-N 3.32Å; L106-Q108 PolarHBondContact O-N 3.32Å; L106-S109 PolarHBondContact O-N 3.24Å; L106-S109 VanDerWaalsContact O-N 3.14Å; L106-I110 HydrophobicContact CG-CD1 4.48Å; L106-I110 WeakPolarHBondContact O-CG1 3.42Å; L106-I110 PolarHBondContact O-N 3.42Å; L106-L161 HydrophobicContact CD1-CB 4.09Å; L106-L161 HydrophobicContact CD1-CD2 3.84Å
107	E	92.3	Very high	88.5	Confident	43 Å²	43	33.9 Å²	33.9	20%	0.201	17%	0.173	C	C	.	.	H	α-helix	trans	-56.4	-44.6	172.1	-174.9	-172.2	124.1	0	0	111.7	R26 R55 A103 V104 I110 E111	R26-E107 IonicContact NE-OE1 2.97Å; R55-E107 WeakPolarHBondContact CD-OE2 3.45Å; R55-E107 IonicContact CZ-OE2 2.79Å; R55-E107 IonicContact NE-OE2 3.14Å; R55-E107 IonicContact NH1-OE2 2.7Å; R55-E107 PolarHBondContact NH1-OE2 2.84Å; A103-E107 WeakPolarHBondContact O-CB 3.26Å; A103-E107 PolarHBondContact O-N 3.26Å; A103-E107 VanDerWaalsContact O-N 3.07Å; V104-E107 WeakPolarHBondContact O-CB 3.38Å; V104-E107 PolarHBondContact O-N 3.08Å; E107-I110 PolarHBondContact O-N 3.21Å; E107-E111 PolarHBondContact O-N 3.2Å
108	Q	93	Very high	87.4	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-71.9	-29.6	176.4	-61.2	-41.1	-68.3	0	0	113.2	L40 R96 D97 V104 A105 L106 E111 F112	L40-Q108 HydrophobicContact CD2-CB 3.93Å; R96-Q108 HydrophobicContact CB-CB 3.98Å; R96-Q108 HydrophobicContact CB-CG 4.03Å; D97-Q108 VanDerWaalsContact O-CG 3.31Å; D97-Q108 WeakPolarHBondContact O-CG 3.45Å; V104-Q108 PolarHBondContact O-N 3.41Å; A105-Q108 PolarHBondContact O-N 3.09Å; L106-Q108 VanDerWaalsContact C-N 3.32Å; L106-Q108 PolarHBondContact O-N 3.32Å; Q108-E111 PolarHBondContact O-N 2.89Å; Q108-F112 WeakPolarHBondContact O-CG 3.36Å; Q108-F112 PolarHBondContact O-N 3.21Å
109	S	94.4	Very high	85.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.5	-34.7	174.8	-56	0	0	0	0	112.2	A105 L106 F112 I113	A105-S109 WeakPolarHBondContact O-CB 3.3Å; A105-S109 PolarHBondContact O-N 2.91Å; A105-S109 PolarHBondContact O-OG 3.01Å; L106-S109 PolarHBondContact O-N 3.24Å; L106-S109 VanDerWaalsContact O-N 3.14Å; S109-F112 PolarHBondContact O-N 3.45Å; S109-I113 PolarHBondContact O-N 2.97Å
110	I	92	Very high	84.4	Confident	87 Å²	87	41.9 Å²	41.9	45%	0.446	22%	0.224	S	C	.	.	H	α-helix	trans	-63.2	-43.1	170.9	-69.1	166	0	0	0	110.2	L106 E107 F112 I113 R114 L161	L106-I110 HydrophobicContact CG-CD1 4.48Å; L106-I110 WeakPolarHBondContact O-CG1 3.42Å; L106-I110 PolarHBondContact O-N 3.42Å; E107-I110 PolarHBondContact O-N 3.21Å; I110-F112 VanDerWaalsContact C-N 3.3Å; I110-F112 PolarHBondContact O-N 2.89Å; I110-I113 WeakPolarHBondContact O-CG1 3.31Å; I110-I113 PolarHBondContact O-N 3.09Å; I110-R114 WeakPolarHBondContact O-CB 3.43Å; I110-R114 PolarHBondContact O-N 2.85Å; I110-L161 HydrophobicContact CG1-CD2 3.81Å
111	E	90.1	Very high	83.1	Confident	37 Å²	37	44.4 Å²	44.4	17%	0.173	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-25.6	176.1	-74	-85.1	113.9	0	0	113.6	R96 E107 Q108 R114	R96-E111 IonicContact NH1-OE2 3.57Å; E107-E111 PolarHBondContact O-N 3.2Å; Q108-E111 PolarHBondContact O-N 2.89Å; E111-R114 WeakPolarHBondContact OE1-CD 3.33Å; E111-R114 IonicContact OE1-CZ 3.79Å; E111-R114 IonicContact OE1-NE 3.61Å; E111-R114 IonicContact OE1-NH1 3.89Å; E111-R114 PolarHBondContact OE1-NH1 3.23Å
112	F	90.8	Very high	81.8	Confident	1 Å²	1	48 Å²	48	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-44.2	170.9	-71.6	-32.8	0	0	0	112.7	L40 E94 R96 Q108 S109 I110 R114 I143 V146	L40-F112 HydrophobicContact CD1-CE2 4.5Å; L40-F112 HydrophobicContact CD2-CE2 3.74Å; L40-F112 HydrophobicContact CD2-CZ 4.11Å; L40-F112 HydrophobicContact CG-CE2 3.89Å; L40-F112 HydrophobicContact CG-CZ 4.5Å; E94-F112 HydrophobicContact CB-CE1 3.94Å; R96-F112 HydrophobicContact CB-CE1 4.33Å; R96-F112 HydrophobicContact CB-CZ 4.12Å; R96-F112 HydrophobicContact CG-CE1 3.72Å; R96-F112 HydrophobicContact CG-CZ 4.02Å; Q108-F112 WeakPolarHBondContact O-CG 3.36Å; Q108-F112 PolarHBondContact O-N 3.21Å; S109-F112 PolarHBondContact O-N 3.45Å; I110-F112 VanDerWaalsContact C-N 3.3Å; I110-F112 PolarHBondContact O-N 2.89Å; F112-R114 VanDerWaalsContact C-N 3.35Å; F112-I143 HydrophobicContact CB-CD1 3.76Å; F112-I143 HydrophobicContact CD1-CD1 3.22Å; F112-I143 HydrophobicContact CE1-CD1 3.9Å; F112-I143 HydrophobicContact CG-CD1 3.69Å; F112-V146 HydrophobicContact CD2-CG2 4.14Å; F112-V146 HydrophobicContact CE2-CG1 4.1Å; F112-V146 HydrophobicContact CE2-CG2 4.31Å
113	I	89.1	Confident	80.1	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.046	28%	0.278	C	S	.	.	H	α-helix	trans	-76.7	-23	179.1	61.3	170	0	0	0	112.6	S109 I110 D115 S116 L117 L161 L162 F165 I167	S109-I113 PolarHBondContact O-N 2.97Å; I110-I113 WeakPolarHBondContact O-CG1 3.31Å; I110-I113 PolarHBondContact O-N 3.09Å; I113-D115 VanDerWaalsContact C-N 3.32Å; I113-D115 PolarHBondContact O-N 3.42Å; I113-S116 WeakPolarHBondContact O-CA 3.47Å; I113-S116 WeakPolarHBondContact O-CB 3.4Å; I113-S116 PolarHBondContact O-N 3.48Å; I113-L117 PolarHBondContact O-N 3.28Å; I113-L161 HydrophobicContact CD1-CD1 3.85Å; I113-L161 HydrophobicContact CD1-CD2 4.04Å; I113-L161 HydrophobicContact CD1-CG 4.09Å; I113-L162 HydrophobicContact CG2-CD2 4.42Å; I113-F165 HydrophobicContact CB-CD2 4.32Å; I113-F165 HydrophobicContact CB-CE2 4.44Å; I113-F165 HydrophobicContact CB-CG 4.47Å; I113-F165 HydrophobicContact CD1-CD2 3.95Å; I113-F165 HydrophobicContact CD1-CE2 3.34Å; I113-F165 HydrophobicContact CD1-CZ 3.71Å; I113-F165 HydrophobicContact CG1-CE2 4.46Å; I113-F165 HydrophobicContact CG2-CB 4.42Å; I113-F165 HydrophobicContact CG2-CD2 3.82Å; I113-F165 HydrophobicContact CG2-CE2 4.34Å; I113-F165 HydrophobicContact CG2-CG 4.05Å; I113-I167 HydrophobicContact CG2-CD1 3.91Å
114	R	85.1	Confident	78.4	Confident	129 Å²	129	60 Å²	60	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-55.4	-44.6	-180	-175.7	177.7	-169.1	158.3	8.6	112.7	I110 E111 F112 S116 L117 I118	I110-R114 WeakPolarHBondContact O-CB 3.43Å; I110-R114 PolarHBondContact O-N 2.85Å; E111-R114 WeakPolarHBondContact OE1-CD 3.33Å; E111-R114 IonicContact OE1-CZ 3.79Å; E111-R114 IonicContact OE1-NE 3.61Å; E111-R114 IonicContact OE1-NH1 3.89Å; E111-R114 PolarHBondContact OE1-NH1 3.23Å; F112-R114 VanDerWaalsContact C-N 3.35Å; R114-S116 VanDerWaalsContact C-N 3.27Å; R114-S116 PolarHBondContact O-N 3.29Å; R114-L117 PolarHBondContact O-N 3.16Å; R114-I118 HydrophobicContact CG-CD1 3.93Å; R114-I118 WeakPolarHBondContact O-CG1 3.39Å; R114-I118 PolarHBondContact O-N 3.02Å
115	D	68.3	Low	76.4	Confident	33 Å²	33	62.9 Å²	62.9	18%	0.176	33%	0.329	C	S	.	.	H	α-helix	trans	-68.1	-30.2	179.1	-65.7	-38.3	0	0	0	111.3	I113 S119 K140	I113-D115 VanDerWaalsContact C-N 3.32Å; I113-D115 PolarHBondContact O-N 3.42Å; D115-S119 WeakPolarHBondContact O-CB 3.35Å; D115-S119 PolarHBondContact O-N 2.77Å; D115-K140 HydrophobicContact CB-CB 4.19Å; D115-K140 HydrophobicContact CB-CD 4.27Å; D115-K140 WeakPolarHBondContact OD2-CD 3.17Å; D115-K140 WeakPolarHBondContact OD2-CE 3.36Å; D115-K140 IonicContact OD2-NZ 3.21Å; D115-K140 PolarHBondContact OD2-NZ 3.32Å
116	S	69.2	Low	74.5	Confident	24 Å²	24	70.5 Å²	70.5	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-73.3	-35.2	174.3	-51.2	0	0	0	0	112.7	I113 R114 S120 P142	I113-S116 WeakPolarHBondContact O-CA 3.47Å; I113-S116 WeakPolarHBondContact O-CB 3.4Å; I113-S116 PolarHBondContact O-N 3.48Å; R114-S116 VanDerWaalsContact C-N 3.27Å; R114-S116 PolarHBondContact O-N 3.29Å; S116-S120 PolarHBondContact O-N 3.42Å; S116-S120 PolarHBondContact O-OG 3.38Å; S116-P142 WeakPolarHBondContact OG-CB 3.37Å
117	L	74.4	Confident	72.2	Confident	83 Å²	83	72.8 Å²	72.8	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-66.3	-48.7	173.8	-72.6	167.9	0	0	0	111.2	I113 R114 S119 S120 E121 F165	I113-L117 PolarHBondContact O-N 3.28Å; R114-L117 PolarHBondContact O-N 3.16Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.11Å; L117-S120 WeakPolarHBondContact O-CA 3.29Å; L117-S120 WeakPolarHBondContact O-CB 3.48Å; L117-S120 PolarHBondContact O-N 3.26Å; L117-E121 PolarHBondContact O-N 2.88Å; L117-E121 VanDerWaalsContact O-N 3.09Å; L117-F165 HydrophobicContact CD2-CE1 3.94Å; L117-F165 HydrophobicContact CG-CE1 4.4Å
118	I	73.4	Confident	69.7	Low	74 Å²	74	82.5 Å²	82.5	38%	0.379	42%	0.419	S	S	.	.	H	α-helix	trans	-62.2	-40.5	178.5	-65.8	165.7	0	0	0	110.8	R114 S120 E121 E122	R114-I118 HydrophobicContact CG-CD1 3.93Å; R114-I118 WeakPolarHBondContact O-CG1 3.39Å; R114-I118 PolarHBondContact O-N 3.02Å; I118-S120 PolarHBondContact O-N 2.97Å; I118-S120 VanDerWaalsContact O-N 3.13Å; I118-E121 PolarHBondContact O-N 3.5Å; I118-E122 PolarHBondContact O-N 3.31Å
119	S	62.7	Low	67.2	Low	42 Å²	42	87.9 Å²	87.9	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-61.7	-17.1	173.7	-175.9	0	0	0	0	113.9	D115 L117	D115-S119 WeakPolarHBondContact O-CB 3.35Å; D115-S119 PolarHBondContact O-N 2.77Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.11Å
120	S	60.5	Low	64.9	Low	70 Å²	70	94.3 Å²	94.3	49%	0.49	50%	0.495	S	S	.	.	H	α-helix	trans	-91.6	-39.1	175.2	-50.5	0	0	0	0	111.6	S116 L117 I118 E122 E123	S116-S120 PolarHBondContact O-N 3.42Å; S116-S120 PolarHBondContact O-OG 3.38Å; L117-S120 WeakPolarHBondContact O-CA 3.29Å; L117-S120 WeakPolarHBondContact O-CB 3.48Å; L117-S120 PolarHBondContact O-N 3.26Å; I118-S120 PolarHBondContact O-N 2.97Å; I118-S120 VanDerWaalsContact O-N 3.13Å; S120-E122 VanDerWaalsContact C-N 3.34Å; S120-E123 PolarHBondContact O-N 3.49Å
121	E	59	Low	62.4	Low	99 Å²	99	97.5 Å²	97.5	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-68.1	-31.1	174.9	-67.8	-174.9	128.3	0	0	112.8	L117 I118 E123 E124 G125 M1058	L117-E121 PolarHBondContact O-N 2.88Å; L117-E121 VanDerWaalsContact O-N 3.09Å; I118-E121 PolarHBondContact O-N 3.5Å; E121-E123 VanDerWaalsContact C-N 3.26Å; E121-E123 PolarHBondContact O-N 3.21Å; E121-E124 PolarHBondContact O-N 2.74Å; E121-G125 PolarHBondContact O-N 3.25Å; E121-M1058 WeakPolarHBondContact OE1-CE 3.45Å
122	E	60.9	Low	60.1	Low	123 Å²	123	99.8 Å²	99.8	58%	0.575	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.7	175.4	-164.9	170	-166	0	0	112	I118 S120 G125	I118-E122 PolarHBondContact O-N 3.31Å; S120-E122 VanDerWaalsContact C-N 3.34Å; E122-G125 PolarHBondContact O-N 3.12Å
123	E	56	Low	57.7	Low	177 Å²	177	104.5 Å²	104.5	83%	0.827	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-28.6	174.9	-166.4	168.3	-157	0	0	112.5	S120 E121 G125	S120-E123 PolarHBondContact O-N 3.49Å; E121-E123 VanDerWaalsContact C-N 3.26Å; E121-E123 PolarHBondContact O-N 3.21Å; E123-G125 VanDerWaalsContact C-N 3.27Å; E123-G125 PolarHBondContact O-N 3.4Å
124	E	54.8	Low	55.5	Low	165 Å²	165	109.9 Å²	109.9	77%	0.771	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-4.4	170	-63.1	-163.9	158.3	0	0	113.4	E121 L126	E121-E124 PolarHBondContact O-N 2.74Å; E124-L126 PolarHBondContact O-N 2.89Å
125	G	51.3	Low	53	Low	62 Å²	62	108 Å²	108	64%	0.639	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.8	14.2	166	0	0	0	0	0	116.7	E121 E122 E123 V127	E121-G125 PolarHBondContact O-N 3.25Å; E122-G125 PolarHBondContact O-N 3.12Å; E123-G125 VanDerWaalsContact C-N 3.27Å; E123-G125 PolarHBondContact O-N 3.4Å; G125-V127 PolarHBondContact O-N 3.01Å
126	L	54.3	Low	51.5	Low	159 Å²	159	111.3 Å²	111.3	83%	0.832	65%	0.651	S	S	*	*			trans	-92	22.6	-167.8	-153.9	70.7	0	0	0	115.9	E124	E124-L126 PolarHBondContact O-N 2.89Å
127	V	44.4	Very low	50.2	Low	108 Å²	108	118.7 Å²	118.7	66%	0.655	68%	0.68	S	S	*	*			trans	-124.7	95.5	174	-171.8	0	0	0	0	112.5	G125	G125-V127 PolarHBondContact O-N 3.01Å
128	R	41	Very low	48.9	Very low	246 Å²	246	125.4 Å²	125.4	93%	0.928	70%	0.7	S	S	*	*			trans	-114.4	81.4	159.1	-100.1	-174.3	168.8	178.8	-1.9	109.8	V130	R128-V130 PolarHBondContact O-N 2.97Å
129	C	39.6	Very low	48	Very low	117 Å²	117	125 Å²	125	79%	0.791	70%	0.703	S	S	*	*			trans	-74.6	119.7	165.7	-68.2	0	0	0	0	109.5	D131	C129-D131 PolarHBondContact O-N 3.42Å
130	V	45.9	Very low	48	Very low	136 Å²	136	126.9 Å²	126.9	82%	0.824	71%	0.706	S	S	*	*			trans	-86.3	104.7	168.3	176.2	0	0	0	0	107.7	R128	R128-V130 PolarHBondContact O-N 2.97Å
131	D	38.9	Very low	48.6	Very low	153 Å²	153	128 Å²	128	82%	0.818	70%	0.702	S	S	*	*			trans	-162.9	149.8	144.3	-107.5	-30.6	0	0	0	112.2	C129 S133	C129-D131 PolarHBondContact O-N 3.42Å; D131-S133 PolarHBondContact O-N 3.48Å; D131-S133 VanDerWaalsContact O-N 3.1Å
132	G	43.4	Very low	49.7	Very low	86 Å²	86	126 Å²	126	89%	0.887	70%	0.698	S	S	*	*	S	Bend	trans	-86.7	55.9	-161.6	0	0	0	0	0	116.8
133	S	38.9	Very low	51.2	Low	100 Å²	100	120.7 Å²	120.7	70%	0.699	67%	0.673	S	S	*	*			trans	-132	100.5	172.2	55.2	0	0	0	0	112.9	D131 S135	D131-S133 PolarHBondContact O-N 3.48Å; D131-S133 VanDerWaalsContact O-N 3.1Å; S133-S135 PolarHBondContact O-N 2.83Å
134	S	42.7	Very low	53	Low	121 Å²	121	113 Å²	113	85%	0.846	64%	0.638	S	S	*	*			trans	-84.3	63.3	-171.1	48.2	0	0	0	0	114.7	S136	S134-S136 PolarHBondContact O-N 3.35Å
135	S	32.6	Very low	54.9	Low	91 Å²	91	105.1 Å²	105.1	64%	0.636	60%	0.602	S	S	*	*			trans	-90	83	155.5	53	0	0	0	0	109.9	S133 F137	S133-S135 PolarHBondContact O-N 2.83Å; S135-F137 PolarHBondContact O-N 2.98Å
136	S	37.7	Very low	57.1	Low	101 Å²	101	102.2 Å²	102.2	71%	0.706	57%	0.571	S	S	*	*			trans	-62.2	95.6	176.6	-56.3	0	0	0	0	111.2	S134 R138	S134-S136 PolarHBondContact O-N 3.35Å; S136-R138 PolarHBondContact O-N 3.06Å
137	F	42.6	Very low	59.2	Low	179 Å²	179	94.6 Å²	94.6	79%	0.785	53%	0.532	S	S	*	.			trans	-61.9	88.7	156.1	-85	-88.6	0	0	0	107.5	S135 S139	S135-F137 PolarHBondContact O-N 2.98Å; F137-S139 PolarHBondContact O-N 2.9Å
138	R	46.6	Very low	61.6	Low	225 Å²	225	89.5 Å²	89.5	85%	0.849	50%	0.5	S	S	*	.			trans	-56.8	128.2	170.9	-74.5	-176.9	172.8	-179.4	-2.5	107.7	S136 K140	S136-R138 PolarHBondContact O-N 3.06Å; R138-K140 PolarHBondContact O-N 3.45Å; R138-K140 VanDerWaalsContact O-N 3.16Å
139	S	53.7	Low	64.2	Low	65 Å²	65	77.8 Å²	77.8	46%	0.455	46%	0.456	S	S	.	.			trans	-44	120.8	178.4	-173.2	0	0	0	0	110.5	F137	F137-S139 PolarHBondContact O-N 2.9Å
140	K	63.7	Low	66.4	Low	81 Å²	81	72.3 Å²	72.3	35%	0.352	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-73.9	141.8	176.9	-79.2	175.6	168.6	-166	0	108.6	E94 D115 R138	E94-K140 WeakPolarHBondContact OE1-CE 3.39Å; E94-K140 IonicContact OE1-NZ 3.82Å; E94-K140 PolarHBondContact OE1-NZ 3.05Å; E94-K140 IonicContact OE2-NZ 3.67Å; D115-K140 HydrophobicContact CB-CB 4.19Å; D115-K140 HydrophobicContact CB-CD 4.27Å; D115-K140 WeakPolarHBondContact OD2-CD 3.17Å; D115-K140 WeakPolarHBondContact OD2-CE 3.36Å; D115-K140 IonicContact OD2-NZ 3.21Å; D115-K140 PolarHBondContact OD2-NZ 3.32Å; R138-K140 PolarHBondContact O-N 3.45Å; R138-K140 VanDerWaalsContact O-N 3.16Å
141	K	72.8	Confident	68.4	Low	95 Å²	95	66.4 Å²	66.4	41%	0.413	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-68.4	139.7	176.1	-62.5	-177.5	-179.1	175.5	0	110.2	G33 D34 I36	G33-K141 PolarHBondContact O-NZ 3.23Å; D34-K141 VanDerWaalsContact CA-NZ 3.3Å; D34-K141 VanDerWaalsContact O-CD 3.27Å; D34-K141 WeakPolarHBondContact O-CD 3.48Å; D34-K141 PolarHBondContact O-NZ 3.44Å; D34-K141 IonicContact OD1-NZ 3.26Å; I36-K141 HydrophobicContact CG1-CB 4.04Å
142	P	82.9	Confident	70.8	Confident	57 Å²	57	59.5 Å²	59.5	37%	0.37	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.9	149.2	177	26.8	-35.3	0	0	0	111.2	S116	S116-P142 WeakPolarHBondContact OG-CB 3.37Å
143	I	91.2	Very high	72.9	Confident	10 Å²	10	58 Å²	58	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124	-178.8	-72.3	169.9	0	0	0	109.4	I36 E94 F112 G145 V146	I36-I143 HydrophobicContact CB-CG1 4.41Å; I36-I143 HydrophobicContact CG2-CG1 3.97Å; I36-I143 WeakPolarHBondContact O-CA 3.43Å; E94-I143 HydrophobicContact CB-CD1 4.45Å; F112-I143 HydrophobicContact CB-CD1 3.76Å; F112-I143 HydrophobicContact CD1-CD1 3.22Å; F112-I143 HydrophobicContact CE1-CD1 3.9Å; F112-I143 HydrophobicContact CG-CD1 3.69Å; I143-G145 WeakPolarHBondContact CG2-O 3.36Å; I143-V146 HydrophobicContact CG2-CG2 4.12Å
144	V	93.8	Very high	75.4	Confident	16 Å²	16	53.4 Å²	53.4	10%	0.097	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-23	-172.6	85.8	0	0	0	0	113.6	I35 I36 I37 P168 L411 I432 L437	I35-V144 HydrophobicContact CG2-CB 3.77Å; I35-V144 HydrophobicContact CG2-CG1 3.52Å; I35-V144 HydrophobicContact CG2-CG2 4.27Å; I36-V144 PolarHBondContact O-N 2.7Å; I37-V144 HydrophobicContact CG1-CG1 4.21Å; V144-P168 WeakPolarHBondContact O-CD 3.38Å; V144-L411 HydrophobicContact CG1-CD1 4.39Å; V144-L411 HydrophobicContact CG1-CD2 4.41Å; V144-L411 HydrophobicContact CG2-CD2 4.3Å; V144-I432 HydrophobicContact CG2-CB 3.82Å; V144-I432 HydrophobicContact CG2-CD1 3.73Å; V144-I432 HydrophobicContact CG2-CG1 4.34Å; V144-I432 HydrophobicContact CG2-CG2 3.64Å; V144-L437 HydrophobicContact CG1-CD2 4.36Å; V144-L437 HydrophobicContact CG2-CD2 3.77Å
145	G	95.6	Very high	77.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	159.2	-173.7	0	0	0	0	0	111.1	G38 I143 P168	G38-G145 PolarHBondContact N-O 3.46Å; I143-G145 WeakPolarHBondContact CG2-O 3.36Å; G145-P168 CarbonylContact C-O 3.54Å; G145-P168 WeakPolarHBondContact CA-O 3.37Å
146	V	97.5	Very high	80.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.4	-174.5	179.9	0	0	0	0	111.9	G38 L40 F112 I143 L162 I167 P168 Q169 I170	G38-V146 CarbonylContact O-C 3.46Å; G38-V146 VanDerWaalsContact O-CA 3.31Å; G38-V146 WeakPolarHBondContact O-CA 3.44Å; L40-V146 HydrophobicContact CD1-CG1 4.42Å; L40-V146 HydrophobicContact CG-CG1 4.33Å; F112-V146 HydrophobicContact CD2-CG2 4.14Å; F112-V146 HydrophobicContact CE2-CG1 4.1Å; F112-V146 HydrophobicContact CE2-CG2 4.31Å; I143-V146 HydrophobicContact CG2-CG2 4.12Å; V146-L162 HydrophobicContact CB-CD1 3.86Å; V146-L162 HydrophobicContact CG1-CD1 4.42Å; V146-L162 HydrophobicContact CG2-CD1 3.84Å; V146-L162 HydrophobicContact CG2-CD2 4.27Å; V146-I167 HydrophobicContact CG2-CG2 4.16Å; V146-P168 PolarHBondContact N-O 3.4Å; V146-Q169 HydrophobicContact CB-CB 4.26Å; V146-Q169 HydrophobicContact CB-CG 4.47Å; V146-Q169 CarbonylContact O-C 3.53Å; V146-Q169 WeakPolarHBondContact O-CA 3.34Å; V146-Q169 WeakPolarHBondContact O-CB 3.47Å; V146-Q169 WeakPolarHBondContact O-CG 3.38Å; V146-I170 PolarHBondContact O-N 3.11Å
147	I	98.3	Very high	83.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.9	176.7	-62.1	179.2	0	0	0	110.6	I37 G38 A39 L40 I170 Y172 A403 I404	I37-I147 HydrophobicContact CG2-CD1 3.92Å; I37-I147 HydrophobicContact CG2-CG1 4.09Å; G38-I147 PolarHBondContact O-N 3.03Å; A39-I147 WeakPolarHBondContact CA-O 3.47Å; A39-I147 HydrophobicContact CB-CB 4.41Å; L40-I147 PolarHBondContact N-O 3.42Å; I147-I170 WeakPolarHBondContact CA-O 3.43Å; I147-Y172 HydrophobicContact CG2-CD1 4.04Å; I147-A403 HydrophobicContact CG2-CB 4.09Å; I147-I404 HydrophobicContact CD1-CB 4.21Å; I147-I404 HydrophobicContact CD1-CG1 3.55Å
148	G	94.7	Very high	86	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.			trans	86.1	-162.7	-172.5	0	0	0	0	0	113.2	Q169 I170	G148-Q169 VanDerWaalsContact O-CG 3.25Å; G148-Q169 WeakPolarHBondContact O-CG 3.4Å; G148-Q169 PolarHBondContact O-NE2 3.23Å; G148-I170 PolarHBondContact N-O 3.27Å
149	P	94.6	Very high	88.3	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.133	C	C	.	.			cis	-74.6	177.9	-3.4	32.4	-34.3	0	0	0	113.1	L40 S151 V154 A155 V158	L40-P149 HydrophobicContact CB-CB 3.98Å; L40-P149 WeakPolarHBondContact O-CA 3.35Å; P149-S151 PolarHBondContact O-N 3.43Å; P149-V154 HydrophobicContact CB-CG1 4.19Å; P149-V154 HydrophobicContact CG-CB 4Å; P149-V154 HydrophobicContact CG-CG1 3.66Å; P149-A155 HydrophobicContact CG-CB 4.15Å; P149-V158 HydrophobicContact CG-CG2 4.3Å
150	G	87.1	Confident	90.3	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	13%	0.126	C	C	.	.	S	Bend	trans	-82.8	0.7	-175.2	0	0	0	0	0	116.8	W100 Y172 S173	W100-G150 VanDerWaalsContact CH2-O 3.27Å; W100-G150 WeakPolarHBondContact CH2-O 3.3Å; G150-Y172 WeakPolarHBondContact CA-OH 3.39Å; G150-Y172 PolarHBondContact N-OH 3.47Å; G150-S173 WeakPolarHBondContact O-CB 3.5Å
151	S	86.9	Confident	91.8	Very high	12 Å²	12	21.5 Å²	21.5	8%	0.084	12%	0.117	C	C	.	.	S	Bend	trans	-124.3	133.7	-178.5	169.8	0	0	0	0	111	P149 S153 V154 A155	P149-S151 PolarHBondContact O-N 3.43Å; S151-S153 PolarHBondContact O-N 3.49Å; S151-S153 PolarHBondContact OG-OG 3.17Å; S151-V154 PolarHBondContact O-N 2.88Å; S151-A155 WeakPolarHBondContact O-CB 3.17Å; S151-A155 PolarHBondContact O-N 3.28Å
152	S	89.8	Confident	92.9	Very high	7 Å²	7	17 Å²	17	5%	0.049	10%	0.097	C	C	.	.	H	α-helix	trans	-57.6	-47.7	-178	-55.4	0	0	0	0	113.2	V154 A155 I156 A174 T175 S176	S152-V154 VanDerWaalsContact C-N 3.31Å; S152-V154 PolarHBondContact O-N 3.02Å; S152-A155 PolarHBondContact O-N 3.49Å; S152-I156 WeakPolarHBondContact O-CG1 3.44Å; S152-I156 PolarHBondContact O-N 3.33Å; S152-A174 WeakPolarHBondContact OG-CA 3.28Å; S152-T175 PolarHBondContact OG-N 2.68Å; S152-S176 PolarHBondContact OG-N 2.82Å
153	S	87.8	Confident	93.4	Very high	54 Å²	54	16.4 Å²	16.4	38%	0.378	9%	0.09	S	C	.	.	H	α-helix	trans	-67.1	-32.5	-178.6	56.8	0	0	0	0	112.6	S151 Q157	S151-S153 PolarHBondContact O-N 3.49Å; S151-S153 PolarHBondContact OG-OG 3.17Å; S153-Q157 WeakPolarHBondContact O-CG 3.36Å
154	V	91.3	Very high	93.5	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-73.1	-41.7	173.6	-173.2	0	0	0	0	110.5	A105 P149 S151 S152 I156 Q157 V158	A105-V154 HydrophobicContact CB-CG1 3.34Å; P149-V154 HydrophobicContact CB-CG1 4.19Å; P149-V154 HydrophobicContact CG-CB 4Å; P149-V154 HydrophobicContact CG-CG1 3.66Å; S151-V154 PolarHBondContact O-N 2.88Å; S152-V154 VanDerWaalsContact C-N 3.31Å; S152-V154 PolarHBondContact O-N 3.02Å; V154-I156 PolarHBondContact O-N 2.89Å; V154-Q157 PolarHBondContact O-N 2.83Å; V154-V158 WeakPolarHBondContact O-CG2 3.32Å; V154-V158 PolarHBondContact O-N 3Å; V154-V158 VanDerWaalsContact O-N 3.09Å
155	A	94.7	Very high	93.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-38.7	179.8	0	0	0	0	0	112.9	P149 S151 S152 Q157 V158 Q159 A174 F188	P149-A155 HydrophobicContact CG-CB 4.15Å; S151-A155 WeakPolarHBondContact O-CB 3.17Å; S151-A155 PolarHBondContact O-N 3.28Å; S152-A155 PolarHBondContact O-N 3.49Å; A155-Q157 VanDerWaalsContact C-N 3.32Å; A155-Q157 PolarHBondContact O-N 2.98Å; A155-V158 PolarHBondContact O-N 3.43Å; A155-Q159 WeakPolarHBondContact O-CB 3.29Å; A155-Q159 PolarHBondContact O-N 3.43Å; A155-A174 HydrophobicContact CB-CB 3.76Å; A155-F188 HydrophobicContact CB-CE2 4.41Å
156	I	93.8	Very high	93.4	Very high	15 Å²	15	27.8 Å²	27.8	8%	0.077	15%	0.146	C	C	.	.	H	α-helix	trans	-56.2	-45.6	172.7	-70.9	165.9	0	0	0	111	S152 V154 Q159 N160 L179 F185 N222	S152-I156 WeakPolarHBondContact O-CG1 3.44Å; S152-I156 PolarHBondContact O-N 3.33Å; V154-I156 PolarHBondContact O-N 2.89Å; I156-Q159 PolarHBondContact O-N 2.92Å; I156-N160 VanDerWaalsContact O-CG 3.28Å; I156-N160 PolarHBondContact O-N 2.98Å; I156-N160 VanDerWaalsContact O-N 3.16Å; I156-N160 PolarHBondContact O-ND2 3.14Å; I156-L179 HydrophobicContact CD1-CG 4.46Å; I156-L179 HydrophobicContact CG1-CD1 4.22Å; I156-L179 HydrophobicContact CG1-CD2 3.59Å; I156-L179 HydrophobicContact CG1-CG 3.87Å; I156-F185 HydrophobicContact CG1-CZ 4.26Å; I156-F185 HydrophobicContact CG2-CE1 4.04Å; I156-F185 HydrophobicContact CG2-CZ 3.87Å; I156-N222 HydrophobicContact CD1-CB 4.21Å
157	Q	93.4	Very high	93.4	Very high	88 Å²	88	28.4 Å²	28.4	41%	0.411	15%	0.149	S	C	.	.	H	α-helix	trans	-71.1	-32.6	-179	-59.2	-55.5	-33.4	0	0	112.9	S153 V154 A155	S153-Q157 WeakPolarHBondContact O-CG 3.36Å; V154-Q157 PolarHBondContact O-N 2.83Å; A155-Q157 VanDerWaalsContact C-N 3.32Å; A155-Q157 PolarHBondContact O-N 2.98Å
158	V	96	Very high	93.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-69.1	-44.2	173.7	173.5	0	0	0	0	110.9	L40 A105 P149 V154 A155 N160 L161 L162	L40-V158 HydrophobicContact CD1-CG1 4.06Å; L40-V158 HydrophobicContact CD1-CG2 3.87Å; A105-V158 HydrophobicContact CB-CG2 4.14Å; P149-V158 HydrophobicContact CG-CG2 4.3Å; V154-V158 WeakPolarHBondContact O-CG2 3.32Å; V154-V158 PolarHBondContact O-N 3Å; V154-V158 VanDerWaalsContact O-N 3.09Å; A155-V158 PolarHBondContact O-N 3.43Å; V158-N160 VanDerWaalsContact C-N 3.34Å; V158-N160 PolarHBondContact O-N 2.95Å; V158-L161 PolarHBondContact O-N 3.5Å; V158-L161 VanDerWaalsContact O-N 3.11Å; V158-L162 HydrophobicContact CG1-CD1 3.62Å; V158-L162 HydrophobicContact CG1-CG 3.93Å; V158-L162 WeakPolarHBondContact O-CG 3.04Å; V158-L162 PolarHBondContact O-N 2.93Å
159	Q	95.9	Very high	93.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.9	-46.3	175.9	-87.8	-66.4	-33.2	0	0	112.8	A155 I156 L161 L162 Q163 F185 Y187 F188	A155-Q159 WeakPolarHBondContact O-CB 3.29Å; A155-Q159 PolarHBondContact O-N 3.43Å; I156-Q159 PolarHBondContact O-N 2.92Å; Q159-L161 PolarHBondContact O-N 3.47Å; Q159-L162 PolarHBondContact O-N 3.3Å; Q159-L162 VanDerWaalsContact O-N 3.16Å; Q159-Q163 WeakPolarHBondContact O-CB 3.45Å; Q159-Q163 VanDerWaalsContact O-CG 3.25Å; Q159-Q163 WeakPolarHBondContact O-CG 3.45Å; Q159-Q163 PolarHBondContact O-N 3.48Å; Q159-F185 HydrophobicContact CB-CD1 4.08Å; Q159-Y187 PolarHBondContact NE2-O 3.42Å; Q159-F188 HydrophobicContact CG-CB 3.93Å; Q159-F188 HydrophobicContact CG-CD2 3.78Å; Q159-F188 HydrophobicContact CG-CG 4.3Å
160	N	95.1	Very high	93.6	Very high	59 Å²	59	28.4 Å²	28.4	32%	0.316	15%	0.149	S	C	.	.	H	α-helix	trans	-54.3	-27.6	178.8	-73.4	-24.5	0	0	0	113.3	I156 V158	I156-N160 VanDerWaalsContact O-CG 3.28Å; I156-N160 PolarHBondContact O-N 2.98Å; I156-N160 VanDerWaalsContact O-N 3.16Å; I156-N160 PolarHBondContact O-ND2 3.14Å; V158-N160 VanDerWaalsContact C-N 3.34Å; V158-N160 PolarHBondContact O-N 2.95Å
161	L	95.4	Very high	94.1	Very high	30 Å²	30	28.3 Å²	28.3	16%	0.157	15%	0.148	C	C	.	.	H	α-helix	trans	-88.3	-52.1	172.6	-176.5	63.8	0	0	0	112.3	L106 I110 I113 V158 Q159 Q163 L164 F165	L106-L161 HydrophobicContact CD1-CB 4.09Å; L106-L161 HydrophobicContact CD1-CD2 3.84Å; I110-L161 HydrophobicContact CG1-CD2 3.81Å; I113-L161 HydrophobicContact CD1-CD1 3.85Å; I113-L161 HydrophobicContact CD1-CD2 4.04Å; I113-L161 HydrophobicContact CD1-CG 4.09Å; V158-L161 PolarHBondContact O-N 3.5Å; V158-L161 VanDerWaalsContact O-N 3.11Å; Q159-L161 PolarHBondContact O-N 3.47Å; L161-Q163 VanDerWaalsContact C-N 3.28Å; L161-Q163 PolarHBondContact O-N 3.09Å; L161-L164 WeakPolarHBondContact O-CB 3.34Å; L161-L164 PolarHBondContact O-N 3.35Å; L161-L164 VanDerWaalsContact O-N 3.17Å; L161-F165 HydrophobicContact CD1-CE2 4.08Å; L161-F165 WeakPolarHBondContact O-CD2 3.48Å
162	L	94.8	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-34.1	-172.9	-68.3	-174.8	0	0	0	113.3	I113 V146 V158 Q159 L164 F165 N166 I167 Q169	I113-L162 HydrophobicContact CG2-CD2 4.42Å; V146-L162 HydrophobicContact CB-CD1 3.86Å; V146-L162 HydrophobicContact CG1-CD1 4.42Å; V146-L162 HydrophobicContact CG2-CD1 3.84Å; V146-L162 HydrophobicContact CG2-CD2 4.27Å; V158-L162 HydrophobicContact CG1-CD1 3.62Å; V158-L162 HydrophobicContact CG1-CG 3.93Å; V158-L162 WeakPolarHBondContact O-CG 3.04Å; V158-L162 PolarHBondContact O-N 2.93Å; Q159-L162 PolarHBondContact O-N 3.3Å; Q159-L162 VanDerWaalsContact O-N 3.16Å; L162-L164 PolarHBondContact O-N 3.18Å; L162-F165 CarbonylContact O-C 3.44Å; L162-F165 PolarHBondContact O-N 3.28Å; L162-F165 VanDerWaalsContact O-N 3.08Å; L162-N166 PolarHBondContact O-N 3.19Å; L162-I167 HydrophobicContact CB-CB 4.25Å; L162-I167 HydrophobicContact CD2-CB 4.24Å; L162-I167 HydrophobicContact CD2-CD1 4.23Å; L162-I167 HydrophobicContact CD2-CG2 4.24Å; L162-I167 PolarHBondContact O-N 2.92Å; L162-I167 VanDerWaalsContact O-N 3.09Å; L162-Q169 HydrophobicContact CD1-CB 3.78Å; L162-Q169 HydrophobicContact CD1-CG 4.34Å
163	Q	94.2	Very high	94.4	Very high	46 Å²	46	27.9 Å²	27.9	22%	0.215	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-64.3	-27.1	179.5	70.7	-173.8	-6.3	0	0	113.9	Q159 L161 F165 N166 L184 Y187	Q159-Q163 WeakPolarHBondContact O-CB 3.45Å; Q159-Q163 VanDerWaalsContact O-CG 3.25Å; Q159-Q163 WeakPolarHBondContact O-CG 3.45Å; Q159-Q163 PolarHBondContact O-N 3.48Å; L161-Q163 VanDerWaalsContact C-N 3.28Å; L161-Q163 PolarHBondContact O-N 3.09Å; Q163-F165 PolarHBondContact O-N 3.49Å; Q163-N166 PolarHBondContact O-N 3.47Å; Q163-L184 PolarHBondContact OE1-O 3.11Å; Q163-L184 VanDerWaalsContact OE1-O 3.04Å; Q163-Y187 HydrophobicContact CB-CD2 3.77Å
164	L	94	Very high	94.5	Very high	120 Å²	120	25.3 Å²	25.3	63%	0.628	13%	0.127	S	C	*	.	G	3₁₀ helix	trans	-67.6	-26.8	176.3	-56.1	176.5	0	0	0	111.9	L161 L162	L161-L164 WeakPolarHBondContact O-CB 3.34Å; L161-L164 PolarHBondContact O-N 3.35Å; L161-L164 VanDerWaalsContact O-N 3.17Å; L162-L164 PolarHBondContact O-N 3.18Å
165	F	92.9	Very high	94.5	Very high	80 Å²	80	25.2 Å²	25.2	35%	0.351	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-102	7	178.8	-62.3	-81.2	0	0	0	112.7	I113 L117 L161 L162 Q163 I167	I113-F165 HydrophobicContact CB-CD2 4.32Å; I113-F165 HydrophobicContact CB-CE2 4.44Å; I113-F165 HydrophobicContact CB-CG 4.47Å; I113-F165 HydrophobicContact CD1-CD2 3.95Å; I113-F165 HydrophobicContact CD1-CE2 3.34Å; I113-F165 HydrophobicContact CD1-CZ 3.71Å; I113-F165 HydrophobicContact CG1-CE2 4.46Å; I113-F165 HydrophobicContact CG2-CB 4.42Å; I113-F165 HydrophobicContact CG2-CD2 3.82Å; I113-F165 HydrophobicContact CG2-CE2 4.34Å; I113-F165 HydrophobicContact CG2-CG 4.05Å; L117-F165 HydrophobicContact CD2-CE1 3.94Å; L117-F165 HydrophobicContact CG-CE1 4.4Å; L161-F165 HydrophobicContact CD1-CE2 4.08Å; L161-F165 WeakPolarHBondContact O-CD2 3.48Å; L162-F165 CarbonylContact O-C 3.44Å; L162-F165 PolarHBondContact O-N 3.28Å; L162-F165 VanDerWaalsContact O-N 3.08Å; Q163-F165 PolarHBondContact O-N 3.49Å; F165-I167 HydrophobicContact CB-CD1 3.98Å; F165-I167 HydrophobicContact CB-CG1 3.99Å; F165-I167 PolarHBondContact O-N 3.24Å
166	N	94.2	Very high	94.4	Very high	65 Å²	65	25.2 Å²	25.2	35%	0.348	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	23.9	-176	-51.8	-82.9	0	0	0	114.5	L162 Q163 P168 Y187 G434	L162-N166 PolarHBondContact O-N 3.19Å; Q163-N166 PolarHBondContact O-N 3.47Å; N166-P168 VanDerWaalsContact O-CD 3.28Å; N166-P168 WeakPolarHBondContact O-CD 3.33Å; N166-Y187 HydrophobicContact CB-CE1 4.22Å; N166-Y187 HydrophobicContact CB-CE2 4.21Å; N166-Y187 WeakPolarHBondContact CB-OH 3.29Å; N166-Y187 PolarHBondContact OD1-OH 3.24Å; N166-G434 WeakPolarHBondContact O-CA 3.41Å
167	I	96	Very high	94.3	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.062	14%	0.138	C	C	.	.			trans	-84.9	113.7	-177.4	-60.5	176.2	0	0	0	109.2	I113 V146 L162 F165	I113-I167 HydrophobicContact CG2-CD1 3.91Å; V146-I167 HydrophobicContact CG2-CG2 4.16Å; L162-I167 HydrophobicContact CB-CB 4.25Å; L162-I167 HydrophobicContact CD2-CB 4.24Å; L162-I167 HydrophobicContact CD2-CD1 4.23Å; L162-I167 HydrophobicContact CD2-CG2 4.24Å; L162-I167 PolarHBondContact O-N 2.92Å; L162-I167 VanDerWaalsContact O-N 3.09Å; F165-I167 HydrophobicContact CB-CD1 3.98Å; F165-I167 HydrophobicContact CB-CG1 3.99Å; F165-I167 PolarHBondContact O-N 3.24Å
168	P	97.2	Very high	94.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.			trans	-68.6	142.7	174.7	28.7	-34.3	0	0	0	111.4	V144 G145 V146 N166 Y187 L437 L441	V144-P168 WeakPolarHBondContact O-CD 3.38Å; G145-P168 CarbonylContact C-O 3.54Å; G145-P168 WeakPolarHBondContact CA-O 3.37Å; V146-P168 PolarHBondContact N-O 3.4Å; N166-P168 VanDerWaalsContact O-CD 3.28Å; N166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-Y187 HydrophobicContact CB-CD1 4.44Å; P168-L437 HydrophobicContact CG-CB 4.35Å; P168-L437 HydrophobicContact CG-CD2 3.75Å; P168-L437 HydrophobicContact CG-CG 3.97Å; P168-L441 HydrophobicContact CB-CD1 3.98Å; P168-L441 HydrophobicContact CG-CD1 4.15Å
169	Q	97.4	Very high	94	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.9	176	159.1	-152.9	-6.9	0	0	110.8	V146 G148 L162 Y187 M189	V146-Q169 HydrophobicContact CB-CB 4.26Å; V146-Q169 HydrophobicContact CB-CG 4.47Å; V146-Q169 CarbonylContact O-C 3.53Å; V146-Q169 WeakPolarHBondContact O-CA 3.34Å; V146-Q169 WeakPolarHBondContact O-CB 3.47Å; V146-Q169 WeakPolarHBondContact O-CG 3.38Å; G148-Q169 VanDerWaalsContact O-CG 3.25Å; G148-Q169 WeakPolarHBondContact O-CG 3.4Å; G148-Q169 PolarHBondContact O-NE2 3.23Å; L162-Q169 HydrophobicContact CD1-CB 3.78Å; L162-Q169 HydrophobicContact CD1-CG 4.34Å; Q169-Y187 PolarHBondContact N-O 3.14Å; Q169-M189 PolarHBondContact O-N 3.36Å
170	I	98.1	Very high	93.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.8	179.4	-50.1	179.3	0	0	0	108.9	V146 I147 G148 M189 V191 A403 M407 L441	V146-I170 PolarHBondContact O-N 3.11Å; I147-I170 WeakPolarHBondContact CA-O 3.43Å; G148-I170 PolarHBondContact N-O 3.27Å; I170-M189 CarbonylContact C-O 3.57Å; I170-M189 WeakPolarHBondContact CA-O 3.39Å; I170-V191 HydrophobicContact CG2-CG1 4.12Å; I170-A403 HydrophobicContact CB-CB 4.44Å; I170-A403 HydrophobicContact CG2-CB 3.82Å; I170-M407 HydrophobicContact CD1-CB 4.21Å; I170-M407 HydrophobicContact CD1-CE 3.77Å; I170-M407 HydrophobicContact CD1-SD 4.44Å; I170-M407 HydrophobicContact CG1-CE 3.95Å; I170-L441 HydrophobicContact CD1-CD1 4.39Å; I170-L441 HydrophobicContact CD1-CD2 3.94Å
171	A	96.9	Very high	93.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	149	177	0	0	0	0	0	112.6	A174 F188 M189 R190 V191	A171-A174 HydrophobicContact CB-CB 3.73Å; A171-F188 HydrophobicContact CB-CE2 3.61Å; A171-F188 HydrophobicContact CB-CZ 3.7Å; A171-M189 PolarHBondContact N-O 2.89Å; A171-R190 HydrophobicContact CB-CB 4.27Å; A171-R190 VanDerWaalsContact O-CA 3.29Å; A171-R190 WeakPolarHBondContact O-CA 3.29Å; A171-R190 WeakPolarHBondContact O-CB 3.2Å; A171-V191 PolarHBondContact O-N 2.83Å
172	Y	93.1	Very high	93.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-113.1	-3.1	180	60	-100.4	0	0	0	113.1	F41 I147 G150 V192 V400	F41-Y172 AromaticContact CD1-CE1 3.84Å; F41-Y172 HydrophobicContact CD1-CE1 3.84Å; F41-Y172 AromaticContact CD1-CZ 3.98Å; F41-Y172 HydrophobicContact CE1-CD1 4.4Å; F41-Y172 AromaticContact CE1-CE1 3.71Å; F41-Y172 HydrophobicContact CE1-CE1 3.71Å; I147-Y172 HydrophobicContact CG2-CD1 4.04Å; G150-Y172 WeakPolarHBondContact CA-OH 3.39Å; G150-Y172 PolarHBondContact N-OH 3.47Å; Y172-V192 WeakPolarHBondContact O-CG1 3.48Å; Y172-V400 HydrophobicContact CD1-CG2 4.21Å; Y172-V400 HydrophobicContact CD2-CG2 3.77Å; Y172-V400 HydrophobicContact CE2-CG2 4.27Å; Y172-V400 HydrophobicContact CG-CG2 3.78Å
173	S	89.9	Confident	93.8	Very high	11 Å²	11	34 Å²	34	8%	0.077	18%	0.18	C	C	.	.	S	Bend	trans	-156.8	8	179.5	-68.8	0	0	0	0	115	G150 T175 K396	G150-S173 WeakPolarHBondContact O-CB 3.5Å; S173-T175 PolarHBondContact O-N 3.45Å; S173-K396 VanDerWaalsContact OG-CD 3.28Å; S173-K396 WeakPolarHBondContact OG-CD 3.45Å
174	A	91.2	Very high	93.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.			trans	-87.1	86	176.5	0	0	0	0	0	109.7	S152 A155 A171 L179 F188 R190	S152-A174 WeakPolarHBondContact OG-CA 3.28Å; A155-A174 HydrophobicContact CB-CB 3.76Å; A171-A174 HydrophobicContact CB-CB 3.73Å; A174-L179 HydrophobicContact CB-CD1 3.92Å; A174-F188 HydrophobicContact CB-CE2 4.24Å; A174-F188 HydrophobicContact CB-CZ 4.03Å; A174-R190 VanDerWaalsContact O-CD 3.23Å; A174-R190 WeakPolarHBondContact O-CD 3.07Å; A174-R190 PolarHBondContact O-NH1 3.39Å
175	T	91.2	Very high	93.9	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	16%	0.164	C	C	.	.			trans	-91.5	-8.1	-168.2	55.2	0	0	0	0	115.1	S152 S173 M177 R190 V192 S194 D195	S152-T175 PolarHBondContact OG-N 2.68Å; S173-T175 PolarHBondContact O-N 3.45Å; T175-M177 PolarHBondContact O-N 2.93Å; T175-R190 PolarHBondContact O-NH1 3.34Å; T175-V192 HydrophobicContact CG2-CG2 4.07Å; T175-S194 CarbonylContact O-C 3.57Å; T175-S194 WeakPolarHBondContact O-CA 3.35Å; T175-D195 WeakPolarHBondContact CB-OD1 3.44Å; T175-D195 PolarHBondContact O-N 2.98Å; T175-D195 PolarHBondContact OG1-OD1 3.36Å; T175-D195 PolarHBondContact OG1-OD2 3.4Å
176	S	91	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.			trans	-56.6	134.2	-177.3	175.6	0	0	0	0	112.3	S152 D178 L179 R190 D195 N222	S152-S176 PolarHBondContact OG-N 2.82Å; S176-D178 PolarHBondContact O-N 3.06Å; S176-D178 PolarHBondContact OG-OD1 2.65Å; S176-L179 PolarHBondContact O-N 3.14Å; S176-R190 PolarHBondContact O-NH1 2.67Å; S176-D195 VanDerWaalsContact CA-OD2 3.24Å; S176-D195 WeakPolarHBondContact CA-OD2 3.21Å; S176-D195 PolarHBondContact N-OD2 2.79Å; S176-D195 VanDerWaalsContact N-OD2 3.13Å; S176-N222 WeakPolarHBondContact CB-O 3.5Å; S176-N222 PolarHBondContact OG-O 3Å
177	M	91.8	Very high	94.2	Very high	62 Å²	62	29.9 Å²	29.9	31%	0.305	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-62.7	-24.4	-178.6	52.9	160.3	40	0	0	113.9	T175 L179 S180 A196 A230	T175-M177 PolarHBondContact O-N 2.93Å; M177-L179 PolarHBondContact O-N 2.86Å; M177-L179 VanDerWaalsContact O-N 3.1Å; M177-S180 VanDerWaalsContact O-CB 3.27Å; M177-S180 WeakPolarHBondContact O-CB 3.23Å; M177-S180 PolarHBondContact O-N 3.06Å; M177-S180 PolarHBondContact O-OG 3.22Å; M177-A196 HydrophobicContact CE-CB 3.5Å; M177-A230 HydrophobicContact CE-CB 3.56Å; M177-A230 HydrophobicContact SD-CB 4.39Å
178	D	90.5	Very high	94.3	Very high	49 Å²	49	29.3 Å²	29.3	26%	0.262	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-55.4	-32.3	178.9	-51.9	10	0	0	0	112.2	S176 S180 F185 N222 S226	S176-D178 PolarHBondContact O-N 3.06Å; S176-D178 PolarHBondContact OG-OD1 2.65Å; D178-S180 VanDerWaalsContact C-N 3.28Å; D178-S180 PolarHBondContact O-N 3.49Å; D178-F185 WeakPolarHBondContact O-CD2 3.33Å; D178-F185 WeakPolarHBondContact O-CE2 3.14Å; D178-N222 WeakPolarHBondContact OD2-CB 3.41Å; D178-N222 PolarHBondContact OD2-ND2 3.36Å; D178-S226 WeakPolarHBondContact OD1-CB 3.46Å; D178-S226 PolarHBondContact OD1-OG 3.1Å; D178-S226 PolarHBondContact OD2-OG 2.92Å
179	L	93.2	Very high	94.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-75.8	-10.3	-179.4	-73.5	162.2	0	0	0	114.1	I156 A174 S176 M177 D181 K182 F185 F188	I156-L179 HydrophobicContact CD1-CG 4.46Å; I156-L179 HydrophobicContact CG1-CD1 4.22Å; I156-L179 HydrophobicContact CG1-CD2 3.59Å; I156-L179 HydrophobicContact CG1-CG 3.87Å; A174-L179 HydrophobicContact CB-CD1 3.92Å; S176-L179 PolarHBondContact O-N 3.14Å; M177-L179 PolarHBondContact O-N 2.86Å; M177-L179 VanDerWaalsContact O-N 3.1Å; L179-D181 VanDerWaalsContact C-N 3.32Å; L179-K182 PolarHBondContact O-NZ 3.11Å; L179-K182 VanDerWaalsContact O-NZ 3.16Å; L179-F185 HydrophobicContact CD2-CD1 4.46Å; L179-F185 HydrophobicContact CD2-CD2 4.2Å; L179-F185 HydrophobicContact CD2-CE2 4.41Å; L179-F185 HydrophobicContact CD2-CG 4.21Å; L179-F188 HydrophobicContact CB-CD1 3.81Å; L179-F188 HydrophobicContact CB-CE1 3.61Å; L179-F188 HydrophobicContact CB-CG 4.38Å; L179-F188 HydrophobicContact CB-CZ 4.02Å; L179-F188 HydrophobicContact CD1-CE1 4.26Å; L179-F188 HydrophobicContact CD1-CE2 4.01Å; L179-F188 HydrophobicContact CD1-CZ 3.77Å; L179-F188 HydrophobicContact CD2-CD1 4.3Å; L179-F188 HydrophobicContact CD2-CD2 3.89Å; L179-F188 HydrophobicContact CD2-CE1 4.44Å; L179-F188 HydrophobicContact CD2-CE2 4.03Å; L179-F188 HydrophobicContact CD2-CG 4.02Å; L179-F188 HydrophobicContact CD2-CZ 4.31Å; L179-F188 HydrophobicContact CG-CE1 4.33Å; L179-F188 HydrophobicContact CG-CE2 4.44Å; L179-F188 HydrophobicContact CG-CZ 4.26Å; L179-F188 WeakPolarHBondContact O-CD1 3.37Å
180	S	93.8	Very high	94.2	Very high	20 Å²	20	29.3 Å²	29.3	14%	0.14	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-67.8	-33.4	173.9	-59.1	0	0	0	0	111.2	M177 D178 K182 R190 D461	M177-S180 VanDerWaalsContact O-CB 3.27Å; M177-S180 WeakPolarHBondContact O-CB 3.23Å; M177-S180 PolarHBondContact O-N 3.06Å; M177-S180 PolarHBondContact O-OG 3.22Å; D178-S180 VanDerWaalsContact C-N 3.28Å; D178-S180 PolarHBondContact O-N 3.49Å; S180-K182 PolarHBondContact O-N 2.94Å; S180-K182 PolarHBondContact O-NZ 3.08Å; S180-R190 PolarHBondContact OG-NH2 3.12Å; S180-D461 PolarHBondContact OG-OD2 3.35Å
181	D	94.8	Very high	94	Very high	71 Å²	71	29.3 Å²	29.3	38%	0.38	15%	0.154	S	C	.	.			trans	-62.7	102.4	-176.2	-176.5	-3.7	0	0	0	112.7	L179 T183 L184 F185	L179-D181 VanDerWaalsContact C-N 3.32Å; D181-T183 VanDerWaalsContact C-N 3.29Å; D181-T183 PolarHBondContact O-N 3.35Å; D181-T183 WeakPolarHBondContact OD1-CA 3.5Å; D181-T183 VanDerWaalsContact OD1-CB 3.28Å; D181-T183 WeakPolarHBondContact OD1-CB 3.14Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.42Å; D181-T183 PolarHBondContact OD1-N 3.45Å; D181-T183 PolarHBondContact OD1-OG1 3.49Å; D181-T183 PolarHBondContact OD2-OG1 3.03Å; D181-L184 PolarHBondContact O-N 3.1Å; D181-F185 PolarHBondContact O-N 3.49Å
182	K	94	Very high	93.8	Very high	43 Å²	43	29.3 Å²	29.3	19%	0.187	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.1	177.9	-66.3	-67.8	158.7	-71.8	0	114.7	L179 S180 F188 N459	L179-K182 PolarHBondContact O-NZ 3.11Å; L179-K182 VanDerWaalsContact O-NZ 3.16Å; S180-K182 PolarHBondContact O-N 2.94Å; S180-K182 PolarHBondContact O-NZ 3.08Å; K182-F188 WeakPolarHBondContact CE-O 3.43Å; K182-F188 PolarHBondContact NZ-O 3.15Å; K182-N459 WeakPolarHBondContact CE-O 3.18Å; K182-N459 PolarHBondContact NZ-O 2.87Å
183	T	94.4	Very high	93.8	Very high	131 Å²	131	29.6 Å²	29.6	80%	0.804	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-33.4	170.8	76	0	0	0	0	110.9	D181	D181-T183 VanDerWaalsContact C-N 3.29Å; D181-T183 PolarHBondContact O-N 3.35Å; D181-T183 WeakPolarHBondContact OD1-CA 3.5Å; D181-T183 VanDerWaalsContact OD1-CB 3.28Å; D181-T183 WeakPolarHBondContact OD1-CB 3.14Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.42Å; D181-T183 PolarHBondContact OD1-N 3.45Å; D181-T183 PolarHBondContact OD1-OG1 3.49Å; D181-T183 PolarHBondContact OD2-OG1 3.03Å
184	L	94.5	Very high	93.9	Very high	91 Å²	91	29.5 Å²	29.5	48%	0.476	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-45.2	176.6	-175.6	59.2	0	0	0	113.2	Q163 D181	Q163-L184 PolarHBondContact OE1-O 3.11Å; Q163-L184 VanDerWaalsContact OE1-O 3.04Å; D181-L184 PolarHBondContact O-N 3.1Å
185	F	96.3	Very high	93.8	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.044	16%	0.155	C	C	.	.			trans	-112.3	56	-172.9	-59	-63	0	0	0	112.5	I156 Q159 D178 L179 D181 Y187 F188	I156-F185 HydrophobicContact CG1-CZ 4.26Å; I156-F185 HydrophobicContact CG2-CE1 4.04Å; I156-F185 HydrophobicContact CG2-CZ 3.87Å; Q159-F185 HydrophobicContact CB-CD1 4.08Å; D178-F185 WeakPolarHBondContact O-CD2 3.33Å; D178-F185 WeakPolarHBondContact O-CE2 3.14Å; L179-F185 HydrophobicContact CD2-CD1 4.46Å; L179-F185 HydrophobicContact CD2-CD2 4.2Å; L179-F185 HydrophobicContact CD2-CE2 4.41Å; L179-F185 HydrophobicContact CD2-CG 4.21Å; D181-F185 PolarHBondContact O-N 3.49Å; F185-Y187 VanDerWaalsContact C-N 3.25Å; F185-Y187 PolarHBondContact O-N 2.94Å; F185-Y187 VanDerWaalsContact O-N 3.15Å; F185-F188 HydrophobicContact CB-CB 4.02Å; F185-F188 PolarHBondContact O-N 3.46Å; F185-F188 VanDerWaalsContact O-N 3.13Å
186	K	96.4	Very high	93.8	Very high	114 Å²	114	30.5 Å²	30.5	50%	0.496	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.4	-173	-177.5	175.4	178.7	-179.9	0	114.5	L438	K186-L438 HydrophobicContact CG-CD2 3.96Å; K186-L438 WeakPolarHBondContact O-CD2 3.16Å
187	Y	97.3	Very high	93.8	Very high	10 Å²	10	32.9 Å²	32.9	4%	0.039	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	14.5	-176.1	-72.4	-74.5	0	0	0	114	Q159 Q163 N166 P168 Q169 F185 R435 L438	Q159-Y187 PolarHBondContact NE2-O 3.42Å; Q163-Y187 HydrophobicContact CB-CD2 3.77Å; N166-Y187 HydrophobicContact CB-CE1 4.22Å; N166-Y187 HydrophobicContact CB-CE2 4.21Å; N166-Y187 WeakPolarHBondContact CB-OH 3.29Å; N166-Y187 PolarHBondContact OD1-OH 3.24Å; P168-Y187 HydrophobicContact CB-CD1 4.44Å; Q169-Y187 PolarHBondContact N-O 3.14Å; F185-Y187 VanDerWaalsContact C-N 3.25Å; F185-Y187 PolarHBondContact O-N 2.94Å; F185-Y187 VanDerWaalsContact O-N 3.15Å; Y187-R435 WeakPolarHBondContact OH-CG 3.48Å; Y187-L438 HydrophobicContact CD1-CB 4.28Å; Y187-L438 HydrophobicContact CD1-CD1 4.49Å; Y187-L438 HydrophobicContact CD1-CD2 3.86Å; Y187-L438 HydrophobicContact CD1-CG 4.44Å; Y187-L438 HydrophobicContact CE1-CB 4.17Å; Y187-L438 HydrophobicContact CE1-CD2 3.87Å
188	F	97.8	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.3	175.2	-176.4	-93.5	0	0	0	112.2	A155 Q159 A171 A174 L179 K182 F185 R190	A155-F188 HydrophobicContact CB-CE2 4.41Å; Q159-F188 HydrophobicContact CG-CB 3.93Å; Q159-F188 HydrophobicContact CG-CD2 3.78Å; Q159-F188 HydrophobicContact CG-CG 4.3Å; A171-F188 HydrophobicContact CB-CE2 3.61Å; A171-F188 HydrophobicContact CB-CZ 3.7Å; A174-F188 HydrophobicContact CB-CE2 4.24Å; A174-F188 HydrophobicContact CB-CZ 4.03Å; L179-F188 HydrophobicContact CB-CD1 3.81Å; L179-F188 HydrophobicContact CB-CE1 3.61Å; L179-F188 HydrophobicContact CB-CG 4.38Å; L179-F188 HydrophobicContact CB-CZ 4.02Å; L179-F188 HydrophobicContact CD1-CE1 4.26Å; L179-F188 HydrophobicContact CD1-CE2 4.01Å; L179-F188 HydrophobicContact CD1-CZ 3.77Å; L179-F188 HydrophobicContact CD2-CD1 4.3Å; L179-F188 HydrophobicContact CD2-CD2 3.89Å; L179-F188 HydrophobicContact CD2-CE1 4.44Å; L179-F188 HydrophobicContact CD2-CE2 4.03Å; L179-F188 HydrophobicContact CD2-CG 4.02Å; L179-F188 HydrophobicContact CD2-CZ 4.31Å; L179-F188 HydrophobicContact CG-CE1 4.33Å; L179-F188 HydrophobicContact CG-CE2 4.44Å; L179-F188 HydrophobicContact CG-CZ 4.26Å; L179-F188 WeakPolarHBondContact O-CD1 3.37Å; K182-F188 WeakPolarHBondContact CE-O 3.43Å; K182-F188 PolarHBondContact NZ-O 3.15Å; F185-F188 HydrophobicContact CB-CB 4.02Å; F185-F188 PolarHBondContact O-N 3.46Å; F185-F188 VanDerWaalsContact O-N 3.13Å; F188-R190 HydrophobicContact CE1-CB 4.01Å; F188-R190 HydrophobicContact CE1-CG 3.79Å; F188-R190 HydrophobicContact CZ-CB 4.04Å; F188-R190 HydrophobicContact CZ-CG 4.24Å
189	M	97.1	Very high	94.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	160	169.4	-61.5	179.8	64.9	0	0	110.1	Q169 I170 A171 L438 L441 M442 F456	Q169-M189 PolarHBondContact O-N 3.36Å; I170-M189 CarbonylContact C-O 3.57Å; I170-M189 WeakPolarHBondContact CA-O 3.39Å; A171-M189 PolarHBondContact N-O 2.89Å; M189-L438 HydrophobicContact CG-CD1 4.35Å; M189-L438 HydrophobicContact SD-CD1 3.95Å; M189-L441 HydrophobicContact CE-CB 3.95Å; M189-L441 HydrophobicContact SD-CB 3.57Å; M189-L441 VanDerWaalsContact SD-CB 3.57Å; M189-L441 HydrophobicContact SD-CD1 4.3Å; M189-M442 HydrophobicContact CE-CG 4.24Å; M189-M442 HydrophobicContact CE-SD 3.65Å; M189-M442 HydrophobicContact CG-SD 4.03Å; M189-M442 HydrophobicContact SD-CG 4.17Å; M189-M442 HydrophobicContact SD-SD 3.81Å; M189-F456 HydrophobicContact CE-CB 4.21Å; M189-F456 HydrophobicContact CE-CD1 3.92Å; M189-F456 HydrophobicContact CE-CD2 3.29Å; M189-F456 HydrophobicContact CE-CE1 4.07Å; M189-F456 HydrophobicContact CE-CE2 3.46Å; M189-F456 VanDerWaalsContact CE-CE2 3.46Å; M189-F456 HydrophobicContact CE-CG 3.52Å; M189-F456 HydrophobicContact CE-CZ 3.85Å
190	R	95.8	Very high	94.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	136.7	174.9	54.8	176.8	169.9	-145.8	-10.6	114.1	A171 A174 T175 S176 S180 F188 V192 F456 G460 D461 S462	A171-R190 HydrophobicContact CB-CB 4.27Å; A171-R190 VanDerWaalsContact O-CA 3.29Å; A171-R190 WeakPolarHBondContact O-CA 3.29Å; A171-R190 WeakPolarHBondContact O-CB 3.2Å; A174-R190 VanDerWaalsContact O-CD 3.23Å; A174-R190 WeakPolarHBondContact O-CD 3.07Å; A174-R190 PolarHBondContact O-NH1 3.39Å; T175-R190 PolarHBondContact O-NH1 3.34Å; S176-R190 PolarHBondContact O-NH1 2.67Å; S180-R190 PolarHBondContact OG-NH2 3.12Å; F188-R190 HydrophobicContact CE1-CB 4.01Å; F188-R190 HydrophobicContact CE1-CG 3.79Å; F188-R190 HydrophobicContact CZ-CB 4.04Å; F188-R190 HydrophobicContact CZ-CG 4.24Å; R190-V192 HydrophobicContact CB-CG2 4.12Å; R190-V192 VanDerWaalsContact CD-O 3.28Å; R190-V192 WeakPolarHBondContact CD-O 3.41Å; R190-V192 VanDerWaalsContact CG-O 3.3Å; R190-V192 WeakPolarHBondContact CG-O 3.49Å; R190-V192 PolarHBondContact O-N 3.23Å; R190-F456 WeakPolarHBondContact O-CE1 3.29Å; R190-G460 PolarHBondContact N-O 3.32Å; R190-D461 WeakPolarHBondContact CG-OD1 3.49Å; R190-D461 IonicContact CZ-OD1 3.22Å; R190-D461 IonicContact CZ-OD2 2.69Å; R190-D461 IonicContact NE-OD1 2.68Å; R190-D461 PolarHBondContact NE-OD1 2.69Å; R190-D461 IonicContact NE-OD2 3.7Å; R190-D461 VanDerWaalsContact NH2-CG 3.27Å; R190-D461 IonicContact NH2-OD1 3.13Å; R190-D461 PolarHBondContact NH2-OD1 3.06Å; R190-D461 IonicContact NH2-OD2 2.79Å; R190-D461 PolarHBondContact NH2-OD2 2.86Å; R190-S462 PolarHBondContact O-N 2.74Å
191	V	93.9	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-84.2	22.2	174.9	-62.6	0	0	0	0	112.8	I170 A171 F399 N402 A403 I454 F456	I170-V191 HydrophobicContact CG2-CG1 4.12Å; A171-V191 PolarHBondContact O-N 2.83Å; V191-F399 HydrophobicContact CG2-CB 4.26Å; V191-F399 VanDerWaalsContact CG2-O 3.24Å; V191-F399 WeakPolarHBondContact CG2-O 3.3Å; V191-F399 VanDerWaalsContact O-CD1 3.31Å; V191-F399 WeakPolarHBondContact O-CD1 3.48Å; V191-N402 HydrophobicContact CB-CB 4.39Å; V191-N402 HydrophobicContact CG2-CB 4.32Å; V191-A403 HydrophobicContact CG2-CB 3.87Å; V191-I454 HydrophobicContact CG1-CG2 4.18Å; V191-F456 HydrophobicContact CG1-CE1 3.95Å; V191-F456 HydrophobicContact CG1-CZ 3.78Å
192	V	92.1	Very high	94.3	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.137	C	C	.	.	S	Bend	trans	-134.1	146.7	175.8	-70.6	0	0	0	0	109.3	Y172 T175 R190 L329 F399	Y172-V192 WeakPolarHBondContact O-CG1 3.48Å; T175-V192 HydrophobicContact CG2-CG2 4.07Å; R190-V192 HydrophobicContact CB-CG2 4.12Å; R190-V192 VanDerWaalsContact CD-O 3.28Å; R190-V192 WeakPolarHBondContact CD-O 3.41Å; R190-V192 VanDerWaalsContact CG-O 3.3Å; R190-V192 WeakPolarHBondContact CG-O 3.49Å; R190-V192 PolarHBondContact O-N 3.23Å; V192-L329 HydrophobicContact CB-CD2 4.11Å; V192-L329 HydrophobicContact CG1-CD2 4.18Å; V192-F399 HydrophobicContact CG1-CB 3.88Å; V192-F399 HydrophobicContact CG1-CD1 3.49Å; V192-F399 VanDerWaalsContact CG1-CD1 3.49Å; V192-F399 HydrophobicContact CG1-CD2 3.84Å; V192-F399 HydrophobicContact CG1-CE1 3.94Å; V192-F399 HydrophobicContact CG1-CE2 4.25Å; V192-F399 HydrophobicContact CG1-CG 3.44Å; V192-F399 VanDerWaalsContact CG1-CG 3.44Å; V192-F399 HydrophobicContact CG1-CZ 4.3Å
193	P	92.4	Very high	94.4	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.032	13%	0.128	C	C	.	.			trans	-65.6	165.7	175.6	29.9	-40.2	0	0	0	113.5	L329 S462 Y466	P193-L329 HydrophobicContact CG-CD2 3.67Å; P193-S462 VanDerWaalsContact CA-O 3.31Å; P193-S462 WeakPolarHBondContact CA-O 3.39Å; P193-Y466 HydrophobicContact CG-CE1 3.97Å; P193-Y466 VanDerWaalsContact CG-OH 3.31Å; P193-Y466 WeakPolarHBondContact CG-OH 3.42Å
194	S	92.8	Very high	94.4	Very high	10 Å²	10	19.6 Å²	19.6	7%	0.07	9%	0.094	C	C	.	.			trans	-83.3	157.8	175.9	69.4	0	0	0	0	113.4	T175 A196 Q197 Y466	T175-S194 CarbonylContact O-C 3.57Å; T175-S194 WeakPolarHBondContact O-CA 3.35Å; S194-A196 PolarHBondContact O-N 3.34Å; S194-A196 VanDerWaalsContact O-N 3.08Å; S194-A196 WeakPolarHBondContact OG-CB 3.05Å; S194-Q197 PolarHBondContact O-N 3.49Å; S194-Y466 PolarHBondContact O-OH 2.97Å
195	D	89.8	Confident	94.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-13	175.6	-63.3	-37	0	0	0	113	T175 S176 Q197 Q198 A199 Y223	T175-D195 WeakPolarHBondContact CB-OD1 3.44Å; T175-D195 PolarHBondContact O-N 2.98Å; T175-D195 PolarHBondContact OG1-OD1 3.36Å; T175-D195 PolarHBondContact OG1-OD2 3.4Å; S176-D195 VanDerWaalsContact CA-OD2 3.24Å; S176-D195 WeakPolarHBondContact CA-OD2 3.21Å; S176-D195 PolarHBondContact N-OD2 2.79Å; S176-D195 VanDerWaalsContact N-OD2 3.13Å; D195-Q197 VanDerWaalsContact C-N 3.29Å; D195-Q197 PolarHBondContact O-N 3.19Å; D195-Q198 WeakPolarHBondContact O-CB 3.31Å; D195-Q198 PolarHBondContact O-N 3.35Å; D195-Q198 PolarHBondContact OD1-NE2 3.08Å; D195-A199 WeakPolarHBondContact O-CB 3.13Å; D195-A199 PolarHBondContact O-N 3.16Å; D195-Y223 VanDerWaalsContact OD2-CD2 3.24Å; D195-Y223 WeakPolarHBondContact OD2-CD2 3.46Å
196	A	90.6	Very high	94.4	Very high	22 Å²	22	14.8 Å²	14.8	18%	0.182	7%	0.07	C	C	.	.	H	α-helix	trans	-61	-38.9	168.9	0	0	0	0	0	111.8	M177 S194 A199 R200 M234	M177-A196 HydrophobicContact CE-CB 3.5Å; S194-A196 PolarHBondContact O-N 3.34Å; S194-A196 VanDerWaalsContact O-N 3.08Å; S194-A196 WeakPolarHBondContact OG-CB 3.05Å; A196-A199 PolarHBondContact O-N 3.17Å; A196-R200 PolarHBondContact O-N 3.09Å; A196-M234 WeakPolarHBondContact O-CE 3.39Å
197	Q	91	Very high	94.3	Very high	51 Å²	51	13.9 Å²	13.9	24%	0.238	7%	0.066	C	C	.	.	H	α-helix	trans	-79	-31.8	178.5	-62.2	-177.4	5.9	0	0	111	S194 D195 R200 A201 Y466 W487	S194-Q197 PolarHBondContact O-N 3.49Å; D195-Q197 VanDerWaalsContact C-N 3.29Å; D195-Q197 PolarHBondContact O-N 3.19Å; Q197-R200 PolarHBondContact O-N 2.96Å; Q197-A201 WeakPolarHBondContact O-CB 3.09Å; Q197-A201 PolarHBondContact O-N 3.12Å; Q197-Y466 HydrophobicContact CB-CE2 4.05Å; Q197-Y466 WeakPolarHBondContact CB-OH 3.4Å; Q197-W487 HydrophobicContact CB-CH2 4.25Å; Q197-W487 HydrophobicContact CB-CZ3 4.35Å
198	Q	92.4	Very high	94.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-58.6	-47.2	166.2	-69.9	-153.7	64.8	0	0	111.6	D195 R200 A201 M202 F277 D305 I327 Y466	D195-Q198 WeakPolarHBondContact O-CB 3.31Å; D195-Q198 PolarHBondContact O-N 3.35Å; D195-Q198 PolarHBondContact OD1-NE2 3.08Å; Q198-R200 PolarHBondContact O-N 3.15Å; Q198-A201 PolarHBondContact O-N 3.14Å; Q198-M202 PolarHBondContact O-N 3.45Å; Q198-F277 HydrophobicContact CB-CE1 4.11Å; Q198-F277 HydrophobicContact CB-CZ 4.36Å; Q198-D305 PolarHBondContact NE2-OD1 2.88Å; Q198-D305 PolarHBondContact OE1-OD1 3.26Å; Q198-I327 HydrophobicContact CB-CD1 3.65Å; Q198-I327 HydrophobicContact CG-CD1 3.81Å; Q198-Y466 HydrophobicContact CG-CE1 3.72Å; Q198-Y466 WeakPolarHBondContact CG-OH 3.31Å; Q198-Y466 PolarHBondContact N-OH 3.33Å
199	A	95	Very high	93.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-41.4	177.1	0	0	0	0	0	112.3	D195 A196 M202 V203 A230 F231 F277	D195-A199 WeakPolarHBondContact O-CB 3.13Å; D195-A199 PolarHBondContact O-N 3.16Å; A196-A199 PolarHBondContact O-N 3.17Å; A199-M202 PolarHBondContact O-N 3.41Å; A199-V203 WeakPolarHBondContact O-CG2 3.48Å; A199-V203 PolarHBondContact O-N 2.96Å; A199-A230 HydrophobicContact CB-CB 3.72Å; A199-F231 HydrophobicContact CB-CB 4.18Å; A199-F277 HydrophobicContact CB-CZ 3.99Å
200	R	94.6	Very high	93.6	Very high	76 Å²	76	24.5 Å²	24.5	29%	0.287	12%	0.115	S	C	.	.	H	α-helix	trans	-60.6	-50	173.6	-174.4	67.6	-142.7	-176.8	7.9	111.6	A196 Q197 Q198 M202 V203 D204 M234 E238 W487	A196-R200 PolarHBondContact O-N 3.09Å; Q197-R200 PolarHBondContact O-N 2.96Å; Q198-R200 PolarHBondContact O-N 3.15Å; R200-M202 VanDerWaalsContact C-N 3.35Å; R200-M202 PolarHBondContact O-N 2.84Å; R200-V203 PolarHBondContact O-N 3.05Å; R200-D204 IonicContact CZ-OD1 2.96Å; R200-D204 VanDerWaalsContact CZ-OD1 3.26Å; R200-D204 IonicContact NE-OD1 3.95Å; R200-D204 PolarHBondContact NE-OD1 3.42Å; R200-D204 VanDerWaalsContact NE-OD1 3.08Å; R200-D204 IonicContact NE-OD2 2.96Å; R200-D204 PolarHBondContact NE-OD2 3.45Å; R200-D204 IonicContact NH2-OD1 3.82Å; R200-D204 PolarHBondContact NH2-OD1 2.92Å; R200-D204 VanDerWaalsContact O-CG 3.29Å; R200-D204 PolarHBondContact O-N 3.22Å; R200-M234 HydrophobicContact CB-SD 3.75Å; R200-M234 HydrophobicContact CG-SD 4.41Å; R200-E238 IonicContact CZ-OE1 2.67Å; R200-E238 IonicContact NH1-OE1 3.54Å; R200-E238 PolarHBondContact NH1-OE1 3.01Å; R200-E238 IonicContact NH2-OE1 2.65Å; R200-E238 PolarHBondContact NH2-OE1 2.84Å; R200-W487 HydrophobicContact CB-CZ2 4.1Å; R200-W487 HydrophobicContact CG-CZ2 3.72Å
201	A	95	Very high	93.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-42.4	178.5	0	0	0	0	0	112.5	Q197 Q198 D204 I205 Y466 W487	Q197-A201 WeakPolarHBondContact O-CB 3.09Å; Q197-A201 PolarHBondContact O-N 3.12Å; Q198-A201 PolarHBondContact O-N 3.14Å; A201-D204 PolarHBondContact O-N 3.16Å; A201-I205 WeakPolarHBondContact O-CD1 3.4Å; A201-I205 VanDerWaalsContact O-CG1 3.27Å; A201-I205 WeakPolarHBondContact O-CG1 3.42Å; A201-I205 PolarHBondContact O-N 3.22Å; A201-Y466 HydrophobicContact CB-CD2 4.2Å; A201-W487 HydrophobicContact CB-CB 4.32Å; A201-W487 HydrophobicContact CB-CD2 3.83Å; A201-W487 HydrophobicContact CB-CE3 4.47Å; A201-W487 HydrophobicContact CB-CG 3.77Å
202	M	96.2	Very high	93.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.9	-39.7	175.4	-74.3	173.1	63.1	0	0	112.4	Q198 A199 R200 I205 V206 F231 A275 F277 L302 I327	Q198-M202 PolarHBondContact O-N 3.45Å; A199-M202 PolarHBondContact O-N 3.41Å; R200-M202 VanDerWaalsContact C-N 3.35Å; R200-M202 PolarHBondContact O-N 2.84Å; M202-I205 PolarHBondContact O-N 3.33Å; M202-V206 WeakPolarHBondContact O-CG2 3.39Å; M202-V206 PolarHBondContact O-N 3.31Å; M202-F231 HydrophobicContact CB-CD2 4.07Å; M202-F231 HydrophobicContact CB-CE2 3.92Å; M202-A275 HydrophobicContact CE-CB 4.18Å; M202-F277 HydrophobicContact CE-CD2 3.98Å; M202-F277 HydrophobicContact CE-CE2 3.53Å; M202-F277 HydrophobicContact CE-CZ 4.14Å; M202-F277 HydrophobicContact SD-CD2 4.26Å; M202-F277 HydrophobicContact SD-CE1 4.2Å; M202-F277 HydrophobicContact SD-CE2 3.44Å; M202-F277 WeakPolarHBondContact SD-CE2 3.28Å; M202-F277 HydrophobicContact SD-CZ 3.39Å; M202-F277 WeakPolarHBondContact SD-CZ 3.48Å; M202-L302 HydrophobicContact CB-CD2 4.45Å; M202-L302 HydrophobicContact CE-CD2 4.49Å; M202-L302 HydrophobicContact CE-CG 4.2Å; M202-I327 HydrophobicContact CG-CD1 3.97Å; M202-I327 HydrophobicContact SD-CD1 4.18Å
203	V	96.6	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-41	173.5	167.8	0	0	0	0	111.6	A199 R200 I205 V206 K207 F231 M234 E238 I240	A199-V203 WeakPolarHBondContact O-CG2 3.48Å; A199-V203 PolarHBondContact O-N 2.96Å; R200-V203 PolarHBondContact O-N 3.05Å; V203-I205 VanDerWaalsContact C-N 3.34Å; V203-I205 PolarHBondContact O-N 2.98Å; V203-V206 PolarHBondContact O-N 2.96Å; V203-K207 VanDerWaalsContact O-CB 3.23Å; V203-K207 WeakPolarHBondContact O-CB 3.24Å; V203-K207 PolarHBondContact O-N 3.03Å; V203-F231 HydrophobicContact CG2-CD2 3.62Å; V203-F231 HydrophobicContact CG2-CE2 3.64Å; V203-F231 HydrophobicContact CG2-CG 4.45Å; V203-F231 HydrophobicContact CG2-CZ 4.48Å; V203-M234 HydrophobicContact CB-CB 4.43Å; V203-M234 HydrophobicContact CG1-CB 4.43Å; V203-M234 HydrophobicContact CG2-CB 3.89Å; V203-E238 HydrophobicContact CG1-CB 4.29Å; V203-E238 HydrophobicContact CG1-CG 3.83Å; V203-I240 HydrophobicContact CG1-CD1 4.09Å
204	D	95.6	Very high	93.7	Very high	19 Å²	19	27.5 Å²	27.5	10%	0.102	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-39.6	176.6	-68.4	-35	0	0	0	111.7	R200 A201 R208 W487 L492	R200-D204 IonicContact CZ-OD1 2.96Å; R200-D204 VanDerWaalsContact CZ-OD1 3.26Å; R200-D204 IonicContact NE-OD1 3.95Å; R200-D204 PolarHBondContact NE-OD1 3.42Å; R200-D204 VanDerWaalsContact NE-OD1 3.08Å; R200-D204 IonicContact NE-OD2 2.96Å; R200-D204 PolarHBondContact NE-OD2 3.45Å; R200-D204 IonicContact NH2-OD1 3.82Å; R200-D204 PolarHBondContact NH2-OD1 2.92Å; R200-D204 VanDerWaalsContact O-CG 3.29Å; R200-D204 PolarHBondContact O-N 3.22Å; A201-D204 PolarHBondContact O-N 3.16Å; D204-R208 VanDerWaalsContact O-CB 3.29Å; D204-R208 WeakPolarHBondContact O-CB 3.36Å; D204-R208 PolarHBondContact O-N 2.91Å; D204-W487 PolarHBondContact OD2-NE1 3.27Å; D204-L492 HydrophobicContact CB-CD2 3.95Å; D204-L492 WeakPolarHBondContact O-CD2 3.31Å
205	I	95.2	Very high	93.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-49.7	173.8	-68.5	162.9	0	0	0	111	A201 M202 V203 K207 R208 Y209 L302 I327 I468 L492	A201-I205 WeakPolarHBondContact O-CD1 3.4Å; A201-I205 VanDerWaalsContact O-CG1 3.27Å; A201-I205 WeakPolarHBondContact O-CG1 3.42Å; A201-I205 PolarHBondContact O-N 3.22Å; M202-I205 PolarHBondContact O-N 3.33Å; V203-I205 VanDerWaalsContact C-N 3.34Å; V203-I205 PolarHBondContact O-N 2.98Å; I205-K207 VanDerWaalsContact C-N 3.31Å; I205-K207 PolarHBondContact O-N 3.25Å; I205-R208 PolarHBondContact O-N 3.11Å; I205-Y209 HydrophobicContact CG2-CD2 3.91Å; I205-Y209 HydrophobicContact CG2-CE2 3.89Å; I205-Y209 WeakPolarHBondContact O-CD2 3.45Å; I205-Y209 PolarHBondContact O-N 3.47Å; I205-L302 HydrophobicContact CG2-CD1 4.14Å; I205-L302 HydrophobicContact CG2-CD2 4.45Å; I205-I327 HydrophobicContact CD1-CG2 3.93Å; I205-I468 HydrophobicContact CD1-CD1 3.92Å; I205-I468 HydrophobicContact CD1-CG1 4.41Å; I205-I468 HydrophobicContact CD1-CG2 4.23Å; I205-I468 HydrophobicContact CG1-CD1 4.25Å; I205-L492 HydrophobicContact CG1-CD1 4.04Å; I205-L492 HydrophobicContact CG1-CD2 3.96Å
206	V	95.4	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-42.4	179.5	172.4	0	0	0	0	111	M202 V203 Y209 N210 W211 V214 F231 I240 L302	M202-V206 WeakPolarHBondContact O-CG2 3.39Å; M202-V206 PolarHBondContact O-N 3.31Å; V203-V206 PolarHBondContact O-N 2.96Å; V206-Y209 PolarHBondContact O-N 3.27Å; V206-N210 PolarHBondContact O-N 2.98Å; V206-W211 HydrophobicContact CB-CE3 4.36Å; V206-W211 HydrophobicContact CG1-CB 3.82Å; V206-W211 HydrophobicContact CG1-CE3 4.5Å; V206-W211 WeakPolarHBondContact CG1-O 3.39Å; V206-W211 HydrophobicContact CG2-CE3 4.11Å; V206-W211 PolarHBondContact O-N 3.02Å; V206-W211 VanDerWaalsContact O-N 3.13Å; V206-V214 HydrophobicContact CG1-CG1 4.08Å; V206-F231 HydrophobicContact CG2-CZ 4.44Å; V206-I240 HydrophobicContact CB-CD1 4.28Å; V206-I240 HydrophobicContact CG1-CD1 3.74Å; V206-I240 HydrophobicContact CG1-CG1 4.24Å; V206-I240 HydrophobicContact CG1-CG2 3.9Å; V206-L302 HydrophobicContact CG2-CD2 3.51Å
207	K	94.1	Very high	94.5	Very high	96 Å²	96	26 Å²	26	42%	0.417	12%	0.119	S	C	.	.	H	α-helix	trans	-63.7	-47.5	175.1	177.4	172	172.1	173	0	112.2	V203 I205 Y209 N210 E238 I240	V203-K207 VanDerWaalsContact O-CB 3.23Å; V203-K207 WeakPolarHBondContact O-CB 3.24Å; V203-K207 PolarHBondContact O-N 3.03Å; I205-K207 VanDerWaalsContact C-N 3.31Å; I205-K207 PolarHBondContact O-N 3.25Å; K207-Y209 PolarHBondContact O-N 3.23Å; K207-N210 PolarHBondContact O-N 3.05Å; K207-E238 HydrophobicContact CD-CG 4.32Å; K207-E238 WeakPolarHBondContact CE-OE2 3.42Å; K207-E238 IonicContact NZ-OE1 3.51Å; K207-E238 PolarHBondContact NZ-OE1 3.25Å; K207-E238 IonicContact NZ-OE2 2.6Å; K207-E238 PolarHBondContact NZ-OE2 3.47Å; K207-I240 HydrophobicContact CB-CD1 4.45Å
208	R	92.5	Very high	94.7	Very high	89 Å²	89	24.1 Å²	24.1	34%	0.336	11%	0.11	S	C	.	.	H	α-helix	trans	-59.3	-28.3	178.9	-165.1	-169.7	174.6	-67.6	11.6	112.4	D204 I205 L492 M494 D496	D204-R208 VanDerWaalsContact O-CB 3.29Å; D204-R208 WeakPolarHBondContact O-CB 3.36Å; D204-R208 PolarHBondContact O-N 2.91Å; I205-R208 PolarHBondContact O-N 3.11Å; R208-L492 HydrophobicContact CB-CD2 4.02Å; R208-L492 HydrophobicContact CG-CD2 4.41Å; R208-M494 PolarHBondContact NH2-O 2.8Å; R208-D496 IonicContact CZ-OD1 3.29Å; R208-D496 IonicContact CZ-OD2 2.73Å; R208-D496 VanDerWaalsContact CZ-OD2 3.22Å; R208-D496 IonicContact NH1-OD1 3Å; R208-D496 PolarHBondContact NH1-OD1 2.82Å; R208-D496 IonicContact NH1-OD2 2.88Å; R208-D496 PolarHBondContact NH1-OD2 2.88Å; R208-D496 VanDerWaalsContact NH2-CG 3.33Å; R208-D496 IonicContact NH2-OD1 2.7Å; R208-D496 PolarHBondContact NH2-OD1 3.44Å; R208-D496 IonicContact NH2-OD2 3.78Å; R208-D496 PolarHBondContact NH2-OD2 3.47Å
209	Y	91.8	Very high	94.6	Very high	15 Å²	15	24.2 Å²	24.2	6%	0.059	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	10.5	178.2	-61.8	-42.8	0	0	0	115.6	I205 V206 K207 W211 M494 D496 W500	I205-Y209 HydrophobicContact CG2-CD2 3.91Å; I205-Y209 HydrophobicContact CG2-CE2 3.89Å; I205-Y209 WeakPolarHBondContact O-CD2 3.45Å; I205-Y209 PolarHBondContact O-N 3.47Å; V206-Y209 PolarHBondContact O-N 3.27Å; K207-Y209 PolarHBondContact O-N 3.23Å; Y209-W211 AromaticContact CD2-CH2 3.67Å; Y209-W211 HydrophobicContact CD2-CH2 3.67Å; Y209-W211 AromaticContact CD2-CZ2 3.95Å; Y209-W211 HydrophobicContact CD2-CZ2 3.95Å; Y209-W211 HydrophobicContact CD2-CZ3 4.03Å; Y209-W211 HydrophobicContact CE2-CH2 4.5Å; Y209-W211 HydrophobicContact CG-CH2 4.29Å; Y209-W211 HydrophobicContact CG-CZ2 4.13Å; Y209-W211 VanDerWaalsContact O-CD1 3.26Å; Y209-W211 PolarHBondContact O-N 2.88Å; Y209-M494 HydrophobicContact CE2-CE 4.42Å; Y209-M494 VanDerWaalsContact OH-CE 3.22Å; Y209-M494 WeakPolarHBondContact OH-CE 3.3Å; Y209-D496 WeakPolarHBondContact CE1-OD1 3.22Å; Y209-D496 PolarHBondContact OH-OD1 2.93Å; Y209-W500 AromaticContact CD1-CH2 3.54Å; Y209-W500 HydrophobicContact CD1-CH2 3.54Å; Y209-W500 AromaticContact CD1-CZ3 3.8Å; Y209-W500 HydrophobicContact CD1-CZ3 3.8Å; Y209-W500 AromaticContact CD2-CH2 3.85Å; Y209-W500 HydrophobicContact CD2-CH2 3.85Å; Y209-W500 AromaticContact CE1-CH2 3.43Å; Y209-W500 HydrophobicContact CE1-CH2 3.43Å; Y209-W500 VanDerWaalsContact CE1-CH2 3.43Å; Y209-W500 AromaticContact CE1-CZ3 3.34Å; Y209-W500 HydrophobicContact CE1-CZ3 3.34Å; Y209-W500 AromaticContact CE2-CH2 3.71Å; Y209-W500 HydrophobicContact CE2-CH2 3.71Å; Y209-W500 HydrophobicContact CE2-CZ3 4.3Å; Y209-W500 AromaticContact CG-CH2 3.77Å; Y209-W500 HydrophobicContact CG-CH2 3.77Å; Y209-W500 HydrophobicContact CG-CZ3 4.47Å; Y209-W500 AromaticContact CZ-CH2 3.49Å; Y209-W500 VanDerWaalsContact CZ-CH2 3.49Å; Y209-W500 AromaticContact CZ-CZ3 3.61Å
210	N	92.1	Very high	94.2	Very high	129 Å²	129	28.3 Å²	28.3	69%	0.69	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	32.6	177.9	-56.8	-74.8	0	0	0	113.4	V206 K207	V206-N210 PolarHBondContact O-N 2.98Å; K207-N210 PolarHBondContact O-N 3.05Å
211	W	93.9	Very high	93.6	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.011	12%	0.124	C	C	.	.			trans	-85.8	115.1	176.5	-63.8	-20.3	0	0	0	109.8	V206 Y209 V214 V273 L300 I325 W500 I507	V206-W211 HydrophobicContact CB-CE3 4.36Å; V206-W211 HydrophobicContact CG1-CB 3.82Å; V206-W211 HydrophobicContact CG1-CE3 4.5Å; V206-W211 WeakPolarHBondContact CG1-O 3.39Å; V206-W211 HydrophobicContact CG2-CE3 4.11Å; V206-W211 PolarHBondContact O-N 3.02Å; V206-W211 VanDerWaalsContact O-N 3.13Å; Y209-W211 AromaticContact CD2-CH2 3.67Å; Y209-W211 HydrophobicContact CD2-CH2 3.67Å; Y209-W211 AromaticContact CD2-CZ2 3.95Å; Y209-W211 HydrophobicContact CD2-CZ2 3.95Å; Y209-W211 HydrophobicContact CD2-CZ3 4.03Å; Y209-W211 HydrophobicContact CE2-CH2 4.5Å; Y209-W211 HydrophobicContact CG-CH2 4.29Å; Y209-W211 HydrophobicContact CG-CZ2 4.13Å; Y209-W211 VanDerWaalsContact O-CD1 3.26Å; Y209-W211 PolarHBondContact O-N 2.88Å; W211-V214 HydrophobicContact CB-CG1 4.16Å; W211-V273 HydrophobicContact CD2-CG2 3.74Å; W211-V273 HydrophobicContact CE3-CB 4.36Å; W211-V273 HydrophobicContact CE3-CG1 3.92Å; W211-V273 HydrophobicContact CE3-CG2 3.84Å; W211-V273 HydrophobicContact CG-CG2 4.3Å; W211-V273 HydrophobicContact CH2-CG2 4.24Å; W211-V273 HydrophobicContact CZ2-CG2 4.12Å; W211-V273 HydrophobicContact CZ3-CG1 3.95Å; W211-V273 HydrophobicContact CZ3-CG2 4.09Å; W211-L300 HydrophobicContact CH2-CD2 3.43Å; W211-L300 VanDerWaalsContact CH2-CD2 3.43Å; W211-L300 HydrophobicContact CZ2-CD2 3.72Å; W211-L300 HydrophobicContact CZ3-CD2 4.27Å; W211-I325 HydrophobicContact CH2-CD1 4.5Å; W211-W500 HydrophobicContact CZ2-CH2 4.44Å; W211-W500 HydrophobicContact CZ2-CZ2 4.14Å; W211-I507 PolarHBondContact NE1-O 3.23Å
212	T	92.7	Very high	93	Very high	44 Å²	44	28.3 Å²	28.3	27%	0.27	14%	0.14	S	C	.	.			trans	-112	-9.7	-174.4	61.6	0	0	0	0	113.7	C241 S509 C530	T212-C241 WeakPolarHBondContact O-CB 3.47Å; T212-C241 PolarHBondContact O-N 3.33Å; T212-S509 PolarHBondContact N-O 3.24Å; T212-C530 PolarHBondContact O-SG 2.77Å; T212-C530 VanDerWaalsContact O-SG 3.39Å
213	Y	94.6	Very high	92.5	Very high	22 Å²	22	29.7 Å²	29.7	9%	0.086	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	101.3	177.3	-169.3	-116.3	0	0	0	110.2	C241 A243 K270 A271 S509 C511 V528	Y213-C241 WeakPolarHBondContact CA-O 3.38Å; Y213-C241 HydrophobicContact CD2-CB 4.07Å; Y213-A243 HydrophobicContact CD2-CB 4.39Å; Y213-A243 HydrophobicContact CE1-CB 3.85Å; Y213-A243 HydrophobicContact CE2-CB 3.7Å; Y213-A243 WeakPolarHBondContact OH-CB 3.46Å; Y213-K270 HydrophobicContact CD1-CB 3.75Å; Y213-K270 HydrophobicContact CE1-CB 3.72Å; Y213-K270 HydrophobicContact CE1-CD 4.45Å; Y213-A271 HydrophobicContact CD1-CB 3.74Å; Y213-A271 HydrophobicContact CE1-CB 3.84Å; Y213-S509 PolarHBondContact N-O 2.94Å; Y213-S509 CarbonylContact O-C 3.58Å; Y213-S509 WeakPolarHBondContact O-CB 3.35Å; Y213-S509 PolarHBondContact O-OG 2.97Å; Y213-C511 HydrophobicContact CD1-CB 3.83Å; Y213-C511 HydrophobicContact CD2-CB 3.87Å; Y213-C511 HydrophobicContact CE1-CB 4.23Å; Y213-C511 HydrophobicContact CE2-CB 4.27Å; Y213-C511 HydrophobicContact CG-CB 3.63Å; Y213-V528 HydrophobicContact CD2-CG2 4.36Å; Y213-V528 HydrophobicContact CE2-CG2 3.87Å
214	V	95.9	Very high	92.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.5	-175.3	-59	0	0	0	0	110.9	V206 W211 F231 I240 C241 I242 A243 V273	V206-V214 HydrophobicContact CG1-CG1 4.08Å; W211-V214 HydrophobicContact CB-CG1 4.16Å; V214-F231 HydrophobicContact CG2-CE1 4.5Å; V214-I240 HydrophobicContact CG2-CG2 4.23Å; V214-C241 PolarHBondContact N-O 3.41Å; V214-I242 HydrophobicContact CG2-CG1 4.1Å; V214-I242 CarbonylContact O-C 3.53Å; V214-I242 WeakPolarHBondContact O-CA 3.41Å; V214-A243 PolarHBondContact O-N 3.19Å; V214-V273 HydrophobicContact CG1-CB 4.16Å; V214-V273 HydrophobicContact CG1-CG1 4.39Å
215	S	96.1	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	153.3	165	-70.8	0	0	0	0	109.8	V273 V274 A275	S215-V273 PolarHBondContact N-O 3.38Å; S215-V274 CarbonylContact O-C 3.43Å; S215-V274 WeakPolarHBondContact O-CA 3.5Å; S215-A275 PolarHBondContact O-N 3.3Å
216	A	96.2	Very high	91.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.4	178	0	0	0	0	0	111.4	M228 I242 H244 S245 Y246 A275	A216-M228 HydrophobicContact CB-CE 3.79Å; A216-M228 HydrophobicContact CB-SD 3.74Å; A216-I242 HydrophobicContact CB-CG2 3.6Å; A216-H244 PolarHBondContact N-O 2.99Å; A216-H244 VanDerWaalsContact N-O 3.11Å; A216-S245 WeakPolarHBondContact O-CA 3.46Å; A216-Y246 PolarHBondContact O-N 3.03Å; A216-A275 WeakPolarHBondContact CA-O 3.45Å
217	V	97	Very high	91.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.2	175.5	-175.7	0	0	0	0	108.6	M228 Y246 I248 L260 L264 V274 A275 C276 F277 L286	V217-M228 VanDerWaalsContact O-CE 3.27Å; V217-M228 WeakPolarHBondContact O-CE 3.4Å; V217-Y246 CarbonylContact C-O 3.6Å; V217-Y246 WeakPolarHBondContact CA-O 3.35Å; V217-I248 HydrophobicContact CG1-CG2 4.24Å; V217-L260 HydrophobicContact CG1-CD2 4.08Å; V217-L264 HydrophobicContact CG2-CD1 4Å; V217-L264 HydrophobicContact CG2-CD2 4.16Å; V217-V274 HydrophobicContact CB-CG1 4.38Å; V217-V274 HydrophobicContact CG2-CG1 3.63Å; V217-A275 PolarHBondContact N-O 3.25Å; V217-A275 VanDerWaalsContact O-O 3.14Å; V217-C276 WeakPolarHBondContact O-CA 3.47Å; V217-F277 PolarHBondContact O-N 2.95Å; V217-L286 HydrophobicContact CG1-CD1 4.4Å
218	H	95.6	Very high	91.7	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154	171.6	62.2	108.6	0	0	0	111.8	G224 M228 S245 Y246 K247 I248 F277	H218-G224 WeakPolarHBondContact CB-O 3.44Å; H218-M228 HydrophobicContact CB-CB 3.81Å; H218-M228 HydrophobicContact CB-CE 4.07Å; H218-M228 HydrophobicContact CB-CG 4.14Å; H218-S245 PolarHBondContact CD2-OG 3.11Å; H218-S245 PolarHBondContact NE2-OG 3.04Å; H218-Y246 PolarHBondContact CD2-O 2.75Å; H218-Y246 PolarHBondContact N-O 3.42Å; H218-K247 VanDerWaalsContact CE1-CB 3.45Å; H218-K247 WeakPolarHBondContact CE1-CB 3.28Å; H218-K247 WeakPolarHBondContact O-CA 3.19Å; H218-I248 PolarHBondContact O-N 2.7Å; H218-F277 VanDerWaalsContact CA-O 3.25Å; H218-F277 WeakPolarHBondContact CA-O 3.44Å; H218-F277 HydrophobicContact CB-CB 4.13Å; H218-F277 WeakPolarHBondContact CB-O 3.48Å
219	T	90.8	Very high	91.8	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	154.2	168.5	-157.3	0	0	0	0	110	Y223 G224 I248 F277 E279 T282	T219-Y223 HydrophobicContact CG2-CD1 4.15Å; T219-G224 WeakPolarHBondContact O-CA 3.29Å; T219-I248 CarbonylContact C-O 3.52Å; T219-I248 VanDerWaalsContact CA-O 3.31Å; T219-I248 WeakPolarHBondContact CA-O 3.31Å; T219-F277 PolarHBondContact N-O 3.28Å; T219-E279 HydrophobicContact CG2-CG 4.29Å; T219-T282 PolarHBondContact OG1-OG1 3.05Å
220	E	86.1	Confident	91.9	Very high	86 Å²	86	28.9 Å²	28.9	40%	0.402	15%	0.15	S	C	.	.	S	Bend	trans	-71.9	150.4	169.5	-176.2	-92.4	176	0	0	111.2	I248 Y249	E220-I248 PolarHBondContact N-O 3.34Å; E220-Y249 HydrophobicContact CB-CD1 3.76Å; E220-Y249 HydrophobicContact CB-CE1 4.02Å; E220-Y249 HydrophobicContact CB-CG 4.31Å; E220-Y249 HydrophobicContact CG-CD1 3.77Å; E220-Y249 HydrophobicContact CG-CE1 3.5Å; E220-Y249 VanDerWaalsContact OE2-CD1 3.26Å; E220-Y249 WeakPolarHBondContact OE2-CD1 3.49Å; E220-Y249 WeakPolarHBondContact OE2-CE1 3.49Å
221	G	81.7	Confident	92.1	Very high	16 Å²	16	22.7 Å²	22.7	17%	0.165	12%	0.117	C	C	.	.	S	Bend	trans	95	160.1	-173.1	0	0	0	0	0	115	Y223 G224 E225	G221-Y223 PolarHBondContact O-N 3.1Å; G221-G224 PolarHBondContact O-N 3.47Å; G221-E225 PolarHBondContact O-N 3.27Å
222	N	83.6	Confident	92.2	Very high	61 Å²	61	25.1 Å²	25.1	33%	0.326	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.8	-167.4	-54	68.4	0	0	0	116.8	I156 S176 D178 S226	I156-N222 HydrophobicContact CD1-CB 4.21Å; S176-N222 WeakPolarHBondContact CB-O 3.5Å; S176-N222 PolarHBondContact OG-O 3Å; D178-N222 WeakPolarHBondContact OD2-CB 3.41Å; D178-N222 PolarHBondContact OD2-ND2 3.36Å; N222-S226 WeakPolarHBondContact O-CB 3.35Å; N222-S226 PolarHBondContact O-OG 3.5Å
223	Y	85.5	Confident	92.2	Very high	28 Å²	28	26.7 Å²	26.7	11%	0.11	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-57.4	169.6	170.4	-101.8	0	0	0	110.3	D195 T219 G221 G227 S304 D305 G306	D195-Y223 VanDerWaalsContact OD2-CD2 3.24Å; D195-Y223 WeakPolarHBondContact OD2-CD2 3.46Å; T219-Y223 HydrophobicContact CG2-CD1 4.15Å; G221-Y223 PolarHBondContact O-N 3.1Å; Y223-G227 PolarHBondContact O-N 3.3Å; Y223-S304 WeakPolarHBondContact OH-CB 3.48Å; Y223-S304 PolarHBondContact OH-OG 2.87Å; Y223-D305 PolarHBondContact OH-OD1 2.93Å; Y223-G306 PolarHBondContact OH-N 3.4Å
224	G	89.9	Confident	92.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.3	-41.2	-177.2	0	0	0	0	0	113.1	H218 T219 G221 M228 F277	H218-G224 WeakPolarHBondContact CB-O 3.44Å; T219-G224 WeakPolarHBondContact O-CA 3.29Å; G221-G224 PolarHBondContact O-N 3.47Å; G224-M228 WeakPolarHBondContact O-CB 3.36Å; G224-M228 PolarHBondContact O-N 2.8Å; G224-M228 VanDerWaalsContact O-N 3.09Å; G224-F277 WeakPolarHBondContact CA-O 3.26Å
225	E	91.3	Very high	92.2	Very high	67 Å²	67	27.3 Å²	27.3	31%	0.313	14%	0.138	S	C	.	.	H	α-helix	trans	-69	-51.1	-177.8	-60.2	-158.3	137.9	0	0	111.8	G221 M228 E229 K247	G221-E225 PolarHBondContact O-N 3.27Å; E225-M228 PolarHBondContact O-N 3.37Å; E225-E229 PolarHBondContact O-N 3.11Å; E225-K247 WeakPolarHBondContact OE1-CD 3.41Å; E225-K247 IonicContact OE1-NZ 3.28Å; E225-K247 PolarHBondContact OE1-NZ 3Å
226	S	90.8	Very high	92.1	Very high	18 Å²	18	30.8 Å²	30.8	13%	0.126	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-39	-178.6	-45.9	0	0	0	0	113.2	D178 N222 M228 E229 A230	D178-S226 WeakPolarHBondContact OD1-CB 3.46Å; D178-S226 PolarHBondContact OD1-OG 3.1Å; D178-S226 PolarHBondContact OD2-OG 2.92Å; N222-S226 WeakPolarHBondContact O-CB 3.35Å; N222-S226 PolarHBondContact O-OG 3.5Å; S226-M228 VanDerWaalsContact C-N 3.34Å; S226-M228 PolarHBondContact O-N 3.23Å; S226-E229 PolarHBondContact O-N 3.33Å; S226-A230 PolarHBondContact O-N 3.31Å
227	G	92.8	Very high	92	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-39.2	173.5	0	0	0	0	0	112.7	Y223 F231	Y223-G227 PolarHBondContact O-N 3.3Å; G227-F231 WeakPolarHBondContact O-CB 3.36Å; G227-F231 PolarHBondContact O-N 2.91Å
228	M	95.3	Very high	91.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-70.7	-34.8	175	-178.3	54.7	64.8	0	0	113	A216 V217 H218 G224 E225 S226 F231 K232 F277	A216-M228 HydrophobicContact CB-CE 3.79Å; A216-M228 HydrophobicContact CB-SD 3.74Å; V217-M228 VanDerWaalsContact O-CE 3.27Å; V217-M228 WeakPolarHBondContact O-CE 3.4Å; H218-M228 HydrophobicContact CB-CB 3.81Å; H218-M228 HydrophobicContact CB-CE 4.07Å; H218-M228 HydrophobicContact CB-CG 4.14Å; G224-M228 WeakPolarHBondContact O-CB 3.36Å; G224-M228 PolarHBondContact O-N 2.8Å; G224-M228 VanDerWaalsContact O-N 3.09Å; E225-M228 PolarHBondContact O-N 3.37Å; S226-M228 VanDerWaalsContact C-N 3.34Å; S226-M228 PolarHBondContact O-N 3.23Å; M228-F231 PolarHBondContact O-N 3.15Å; M228-F231 HydrophobicContact SD-CB 4.44Å; M228-F231 HydrophobicContact SD-CD1 3.97Å; M228-K232 WeakPolarHBondContact O-CG 3.38Å; M228-K232 PolarHBondContact O-N 2.84Å; M228-F277 HydrophobicContact CB-CB 4.43Å; M228-F277 HydrophobicContact CE-CB 4.22Å; M228-F277 HydrophobicContact CE-CD2 3.98Å
229	E	94.2	Very high	91.5	Very high	109 Å²	109	42.2 Å²	42.2	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-67.7	-42.3	176	-157.3	59.8	-147.9	0	0	111.6	E225 S226 F231 K232 D233	E225-E229 PolarHBondContact O-N 3.11Å; S226-E229 PolarHBondContact O-N 3.33Å; E229-F231 VanDerWaalsContact C-N 3.3Å; E229-F231 PolarHBondContact O-N 2.92Å; E229-K232 PolarHBondContact O-N 3.25Å; E229-K232 WeakPolarHBondContact OE2-CD 3.47Å; E229-K232 IonicContact OE2-NZ 3.86Å; E229-K232 PolarHBondContact OE2-NZ 3.28Å; E229-D233 PolarHBondContact O-N 2.93Å
230	A	94.4	Very high	91.7	Very high	8 Å²	8	42.7 Å²	42.7	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-43.1	170	0	0	0	0	0	112.1	M177 A199 S226 K232 D233 M234	M177-A230 HydrophobicContact CE-CB 3.56Å; M177-A230 HydrophobicContact SD-CB 4.39Å; A199-A230 HydrophobicContact CB-CB 3.72Å; S226-A230 PolarHBondContact O-N 3.31Å; A230-K232 PolarHBondContact O-N 3.07Å; A230-D233 PolarHBondContact O-N 3.15Å; A230-M234 HydrophobicContact CB-CE 4.49Å; A230-M234 WeakPolarHBondContact O-CB 3.42Å; A230-M234 WeakPolarHBondContact O-CG 3.28Å; A230-M234 PolarHBondContact O-N 2.85Å
231	F	96.1	Very high	92	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-39.4	177.4	-178.4	-97.5	0	0	0	112.7	A199 M202 V203 V206 V214 G227 M228 E229 S235 I242 A275 F277	A199-F231 HydrophobicContact CB-CB 4.18Å; M202-F231 HydrophobicContact CB-CD2 4.07Å; M202-F231 HydrophobicContact CB-CE2 3.92Å; V203-F231 HydrophobicContact CG2-CD2 3.62Å; V203-F231 HydrophobicContact CG2-CE2 3.64Å; V203-F231 HydrophobicContact CG2-CG 4.45Å; V203-F231 HydrophobicContact CG2-CZ 4.48Å; V206-F231 HydrophobicContact CG2-CZ 4.44Å; V214-F231 HydrophobicContact CG2-CE1 4.5Å; G227-F231 WeakPolarHBondContact O-CB 3.36Å; G227-F231 PolarHBondContact O-N 2.91Å; M228-F231 PolarHBondContact O-N 3.15Å; M228-F231 HydrophobicContact SD-CB 4.44Å; M228-F231 HydrophobicContact SD-CD1 3.97Å; E229-F231 VanDerWaalsContact C-N 3.3Å; E229-F231 PolarHBondContact O-N 2.92Å; F231-S235 WeakPolarHBondContact O-CB 3.36Å; F231-S235 PolarHBondContact O-N 3.35Å; F231-S235 PolarHBondContact O-OG 3.03Å; F231-I242 HydrophobicContact CD1-CD1 3.96Å; F231-I242 HydrophobicContact CE1-CD1 3.94Å; F231-I242 HydrophobicContact CE1-CG1 4.33Å; F231-A275 HydrophobicContact CE1-CB 3.82Å; F231-A275 HydrophobicContact CE2-CB 4.43Å; F231-A275 HydrophobicContact CZ-CB 3.75Å; F231-F277 HydrophobicContact CB-CD2 4.31Å; F231-F277 HydrophobicContact CB-CE2 3.78Å; F231-F277 HydrophobicContact CD2-CE2 4.07Å; F231-F277 HydrophobicContact CG-CE2 4.04Å
232	K	94.7	Very high	92.6	Very high	54 Å²	54	39.8 Å²	39.8	24%	0.235	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-50	175.3	-68.5	163.4	-165.3	147.2	0	112.1	M228 E229 A230 M234 S235 A236 I242 S245	M228-K232 WeakPolarHBondContact O-CG 3.38Å; M228-K232 PolarHBondContact O-N 2.84Å; E229-K232 PolarHBondContact O-N 3.25Å; E229-K232 WeakPolarHBondContact OE2-CD 3.47Å; E229-K232 IonicContact OE2-NZ 3.86Å; E229-K232 PolarHBondContact OE2-NZ 3.28Å; A230-K232 PolarHBondContact O-N 3.07Å; K232-M234 VanDerWaalsContact C-N 3.35Å; K232-M234 PolarHBondContact O-N 3.17Å; K232-S235 PolarHBondContact O-N 3.01Å; K232-A236 WeakPolarHBondContact O-CB 3.28Å; K232-A236 PolarHBondContact O-N 3.44Å; K232-I242 HydrophobicContact CB-CD1 4.24Å; K232-I242 HydrophobicContact CG-CD1 3.68Å; K232-S245 WeakPolarHBondContact CE-OG 3.09Å
233	D	94.6	Very high	92.9	Very high	76 Å²	76	37.8 Å²	37.8	41%	0.406	21%	0.209	S	C	.	.	H	α-helix	trans	-59.3	-45	-179.5	164.8	77.8	0	0	0	111.5	E229 A230 K237	E229-D233 PolarHBondContact O-N 2.93Å; A230-D233 PolarHBondContact O-N 3.15Å; D233-K237 WeakPolarHBondContact O-CD 3.42Å; D233-K237 WeakPolarHBondContact O-CG 3.21Å; D233-K237 PolarHBondContact O-N 3.01Å; D233-K237 WeakPolarHBondContact OD1-CE 3.09Å; D233-K237 IonicContact OD1-NZ 2.77Å; D233-K237 PolarHBondContact OD1-NZ 3.4Å; D233-K237 IonicContact OD2-NZ 3.28Å; D233-K237 PolarHBondContact OD2-NZ 2.04Å
234	M	95	Very high	93	Very high	34 Å²	34	40.9 Å²	40.9	17%	0.167	22%	0.224	C	C	.	.	H	α-helix	trans	-70.9	-37.5	177	-65	-173.9	-158.3	0	0	112.5	A196 R200 V203 A230 K232 A236 K237 E238	A196-M234 WeakPolarHBondContact O-CE 3.39Å; R200-M234 HydrophobicContact CB-SD 3.75Å; R200-M234 HydrophobicContact CG-SD 4.41Å; V203-M234 HydrophobicContact CB-CB 4.43Å; V203-M234 HydrophobicContact CG1-CB 4.43Å; V203-M234 HydrophobicContact CG2-CB 3.89Å; A230-M234 HydrophobicContact CB-CE 4.49Å; A230-M234 WeakPolarHBondContact O-CB 3.42Å; A230-M234 WeakPolarHBondContact O-CG 3.28Å; A230-M234 PolarHBondContact O-N 2.85Å; K232-M234 VanDerWaalsContact C-N 3.35Å; K232-M234 PolarHBondContact O-N 3.17Å; M234-A236 PolarHBondContact O-N 3.38Å; M234-K237 PolarHBondContact O-N 3.36Å; M234-E238 PolarHBondContact O-N 3.19Å
235	S	95.3	Very high	93.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-44	174.5	-67.5	0	0	0	0	112	F231 K232 K237 E238 G239 I240	F231-S235 WeakPolarHBondContact O-CB 3.36Å; F231-S235 PolarHBondContact O-N 3.35Å; F231-S235 PolarHBondContact O-OG 3.03Å; K232-S235 PolarHBondContact O-N 3.01Å; S235-K237 VanDerWaalsContact C-N 3.3Å; S235-K237 PolarHBondContact O-N 3.45Å; S235-E238 CarbonylContact O-C 3.58Å; S235-E238 PolarHBondContact O-N 2.98Å; S235-E238 VanDerWaalsContact O-N 3.15Å; S235-G239 PolarHBondContact O-N 3.09Å; S235-G239 VanDerWaalsContact O-N 3.14Å; S235-I240 PolarHBondContact O-N 2.88Å
236	A	92.8	Very high	93.4	Very high	74 Å²	74	40.3 Å²	40.3	61%	0.612	22%	0.224	S	C	*	.	H	α-helix	trans	-62.4	-36	179.7	0	0	0	0	0	112.7	K232 M234 E238 G239	K232-A236 WeakPolarHBondContact O-CB 3.28Å; K232-A236 PolarHBondContact O-N 3.44Å; M234-A236 PolarHBondContact O-N 3.38Å; A236-E238 VanDerWaalsContact C-N 3.3Å; A236-E238 PolarHBondContact O-N 3.27Å; A236-G239 PolarHBondContact O-N 3.17Å
237	K	93.6	Very high	93.6	Very high	145 Å²	145	45.7 Å²	45.7	63%	0.63	25%	0.246	S	C	*	.	H	α-helix	trans	-69	-27	176.8	-69.7	164.1	-172.6	168.5	0	113.2	D233 M234 S235	D233-K237 WeakPolarHBondContact O-CD 3.42Å; D233-K237 WeakPolarHBondContact O-CG 3.21Å; D233-K237 PolarHBondContact O-N 3.01Å; D233-K237 WeakPolarHBondContact OD1-CE 3.09Å; D233-K237 IonicContact OD1-NZ 2.77Å; D233-K237 PolarHBondContact OD1-NZ 3.4Å; D233-K237 IonicContact OD2-NZ 3.28Å; D233-K237 PolarHBondContact OD2-NZ 2.04Å; M234-K237 PolarHBondContact O-N 3.36Å; S235-K237 VanDerWaalsContact C-N 3.3Å; S235-K237 PolarHBondContact O-N 3.45Å
238	E	92.7	Very high	93.6	Very high	59 Å²	59	46.3 Å²	46.3	28%	0.276	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7	179.9	-61.4	-75.3	-158.5	0	0	112.8	R200 V203 K207 M234 S235 A236 I240	R200-E238 IonicContact CZ-OE1 2.67Å; R200-E238 IonicContact NH1-OE1 3.54Å; R200-E238 PolarHBondContact NH1-OE1 3.01Å; R200-E238 IonicContact NH2-OE1 2.65Å; R200-E238 PolarHBondContact NH2-OE1 2.84Å; V203-E238 HydrophobicContact CG1-CB 4.29Å; V203-E238 HydrophobicContact CG1-CG 3.83Å; K207-E238 HydrophobicContact CD-CG 4.32Å; K207-E238 WeakPolarHBondContact CE-OE2 3.42Å; K207-E238 IonicContact NZ-OE1 3.51Å; K207-E238 PolarHBondContact NZ-OE1 3.25Å; K207-E238 IonicContact NZ-OE2 2.6Å; K207-E238 PolarHBondContact NZ-OE2 3.47Å; M234-E238 PolarHBondContact O-N 3.19Å; S235-E238 CarbonylContact O-C 3.58Å; S235-E238 PolarHBondContact O-N 2.98Å; S235-E238 VanDerWaalsContact O-N 3.15Å; A236-E238 VanDerWaalsContact C-N 3.3Å; A236-E238 PolarHBondContact O-N 3.27Å; E238-I240 VanDerWaalsContact C-N 3.33Å; E238-I240 HydrophobicContact CB-CD1 4.03Å; E238-I240 HydrophobicContact CB-CG1 4.42Å; E238-I240 PolarHBondContact O-N 2.82Å
239	G	89.9	Confident	93.1	Very high	48 Å²	48	52.4 Å²	52.4	50%	0.495	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	15.4	178.2	0	0	0	0	0	115.2	S235 A236 C530	S235-G239 PolarHBondContact O-N 3.09Å; S235-G239 VanDerWaalsContact O-N 3.14Å; A236-G239 PolarHBondContact O-N 3.17Å; G239-C530 PolarHBondContact O-SG 3.08Å; G239-C530 VanDerWaalsContact O-SG 3.39Å
240	I	94.9	Very high	92.5	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.062	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-87.7	123	-179.2	-62.6	159.7	0	0	0	109.3	V203 V206 K207 V214 S235 E238	V203-I240 HydrophobicContact CG1-CD1 4.09Å; V206-I240 HydrophobicContact CB-CD1 4.28Å; V206-I240 HydrophobicContact CG1-CD1 3.74Å; V206-I240 HydrophobicContact CG1-CG1 4.24Å; V206-I240 HydrophobicContact CG1-CG2 3.9Å; K207-I240 HydrophobicContact CB-CD1 4.45Å; V214-I240 HydrophobicContact CG2-CG2 4.23Å; S235-I240 PolarHBondContact O-N 2.88Å; E238-I240 VanDerWaalsContact C-N 3.33Å; E238-I240 HydrophobicContact CB-CD1 4.03Å; E238-I240 HydrophobicContact CB-CG1 4.42Å; E238-I240 PolarHBondContact O-N 2.82Å
241	C	93.5	Very high	91.8	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	137.7	176.4	-64.2	0	0	0	0	112.3	T212 Y213 V214 V528 S529 C530	T212-C241 WeakPolarHBondContact O-CB 3.47Å; T212-C241 PolarHBondContact O-N 3.33Å; Y213-C241 WeakPolarHBondContact CA-O 3.38Å; Y213-C241 HydrophobicContact CD2-CB 4.07Å; V214-C241 PolarHBondContact N-O 3.41Å; C241-V528 HydrophobicContact CB-CG2 4.23Å; C241-S529 PolarHBondContact SG-OG 3.23Å; C241-C530 HydrophobicContact CB-CB 3.68Å; C241-C530 WeakPolarHBondContact CB-SG 3.22Å; C241-C530 PolarHBondContact N-SG 2.82Å; C241-C530 WeakPolarHBondContact SG-CB 3.34Å; C241-C530 PolarHBondContact SG-N 2.89Å; C241-C530 CovalentContact SG-SG 2.04Å; C241-C530 PolarHBondContact SG-SG 2.87Å
242	I	93.7	Very high	91.2	Very high	33 Å²	33	54.6 Å²	54.6	17%	0.169	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.2	171.5	-66.8	165.3	0	0	0	108.5	V214 A216 F231 K232	V214-I242 HydrophobicContact CG2-CG1 4.1Å; V214-I242 CarbonylContact O-C 3.53Å; V214-I242 WeakPolarHBondContact O-CA 3.41Å; A216-I242 HydrophobicContact CB-CG2 3.6Å; F231-I242 HydrophobicContact CD1-CD1 3.96Å; F231-I242 HydrophobicContact CE1-CD1 3.94Å; F231-I242 HydrophobicContact CE1-CG1 4.33Å; K232-I242 HydrophobicContact CB-CD1 4.24Å; K232-I242 HydrophobicContact CG-CD1 3.68Å
243	A	89.4	Confident	90.7	Very high	18 Å²	18	54.3 Å²	54.3	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-45.8	-178.8	0	0	0	0	0	112	Y213 V214 H267 A271	Y213-A243 HydrophobicContact CD2-CB 4.39Å; Y213-A243 HydrophobicContact CE1-CB 3.85Å; Y213-A243 HydrophobicContact CE2-CB 3.7Å; Y213-A243 WeakPolarHBondContact OH-CB 3.46Å; V214-A243 PolarHBondContact O-N 3.19Å; A243-H267 HydrophobicContact CB-CB 4.47Å; A243-A271 HydrophobicContact CB-CB 4.09Å
244	H	88.9	Confident	90.6	Very high	93 Å²	93	56.5 Å²	56.5	43%	0.431	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	148.3	167.8	-165.9	-73.3	0	0	0	109.1	A216 Y246	A216-H244 PolarHBondContact N-O 2.99Å; A216-H244 VanDerWaalsContact N-O 3.11Å; H244-Y246 HydrophobicContact CB-CD2 4.43Å; H244-Y246 HydrophobicContact CB-CE1 4.13Å; H244-Y246 HydrophobicContact CB-CE2 3.72Å; H244-Y246 WeakPolarHBondContact CB-OH 3.04Å; H244-Y246 AromaticContact CE1-CD1 3.68Å; H244-Y246 AromaticContact CE1-CE1 3.49Å; H244-Y246 VanDerWaalsContact CE1-CE1 3.49Å; H244-Y246 WeakPolarHBondContact CE1-CE1 3.46Å; H244-Y246 AromaticContact CG-CE1 3.54Å; H244-Y246 AromaticContact CG-CZ 3.46Å; H244-Y246 VanDerWaalsContact CG-CZ 3.46Å; H244-Y246 AromaticContact ND1-CD1 3.3Å; H244-Y246 VanDerWaalsContact ND1-CD1 3.3Å; H244-Y246 WeakPolarHBondContact ND1-CD1 3.44Å; H244-Y246 AromaticContact ND1-CE1 3.1Å; H244-Y246 WeakPolarHBondContact ND1-CE1 3.03Å; H244-Y246 AromaticContact ND1-CE2 3.98Å; H244-Y246 AromaticContact ND1-CG 3.79Å; H244-Y246 AromaticContact ND1-CZ 3.47Å
245	S	93.4	Very high	90.4	Very high	32 Å²	32	61.5 Å²	61.5	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115	170.7	-175	0	0	0	0	109.6	A216 H218 K232	A216-S245 WeakPolarHBondContact O-CA 3.46Å; H218-S245 PolarHBondContact CD2-OG 3.11Å; H218-S245 PolarHBondContact NE2-OG 3.04Å; K232-S245 WeakPolarHBondContact CE-OG 3.09Å
246	Y	95.3	Very high	90.3	Very high	23 Å²	23	64.1 Å²	64.1	9%	0.09	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.7	179.1	-62.6	-68.5	0	0	0	111.7	A216 V217 H218 H244 L260 K263 L264 H267	A216-Y246 PolarHBondContact O-N 3.03Å; V217-Y246 CarbonylContact C-O 3.6Å; V217-Y246 WeakPolarHBondContact CA-O 3.35Å; H218-Y246 PolarHBondContact CD2-O 2.75Å; H218-Y246 PolarHBondContact N-O 3.42Å; H244-Y246 HydrophobicContact CB-CD2 4.43Å; H244-Y246 HydrophobicContact CB-CE1 4.13Å; H244-Y246 HydrophobicContact CB-CE2 3.72Å; H244-Y246 WeakPolarHBondContact CB-OH 3.04Å; H244-Y246 AromaticContact CE1-CD1 3.68Å; H244-Y246 AromaticContact CE1-CE1 3.49Å; H244-Y246 VanDerWaalsContact CE1-CE1 3.49Å; H244-Y246 WeakPolarHBondContact CE1-CE1 3.46Å; H244-Y246 AromaticContact CG-CE1 3.54Å; H244-Y246 AromaticContact CG-CZ 3.46Å; H244-Y246 VanDerWaalsContact CG-CZ 3.46Å; H244-Y246 AromaticContact ND1-CD1 3.3Å; H244-Y246 VanDerWaalsContact ND1-CD1 3.3Å; H244-Y246 WeakPolarHBondContact ND1-CD1 3.44Å; H244-Y246 AromaticContact ND1-CE1 3.1Å; H244-Y246 WeakPolarHBondContact ND1-CE1 3.03Å; H244-Y246 AromaticContact ND1-CE2 3.98Å; H244-Y246 AromaticContact ND1-CG 3.79Å; H244-Y246 AromaticContact ND1-CZ 3.47Å; Y246-L260 VanDerWaalsContact CB-CD1 3.4Å; Y246-L260 HydrophobicContact CD1-CD1 4.16Å; Y246-L260 HydrophobicContact CD2-CD1 3.79Å; Y246-L260 HydrophobicContact CG-CD1 3.51Å; Y246-K263 HydrophobicContact CD1-CD 4.36Å; Y246-K263 HydrophobicContact CE1-CB 4.01Å; Y246-K263 HydrophobicContact CE1-CD 3.78Å; Y246-K263 HydrophobicContact CE1-CG 4.48Å; Y246-K263 HydrophobicContact CE2-CB 4.41Å; Y246-L264 HydrophobicContact CD2-CD2 3.84Å; Y246-L264 HydrophobicContact CD2-CG 4.18Å; Y246-L264 HydrophobicContact CE2-CD2 3.82Å; Y246-L264 HydrophobicContact CE2-CG 4.13Å; Y246-H267 PolarHBondContact OH-NE2 3.32Å
247	K	94.2	Very high	90.4	Very high	131 Å²	131	61.1 Å²	61.1	57%	0.57	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.5	170.9	75.7	179.4	-170.6	168.9	0	112.6	H218 E225	H218-K247 VanDerWaalsContact CE1-CB 3.45Å; H218-K247 WeakPolarHBondContact CE1-CB 3.28Å; H218-K247 WeakPolarHBondContact O-CA 3.19Å; E225-K247 WeakPolarHBondContact OE1-CD 3.41Å; E225-K247 IonicContact OE1-NZ 3.28Å; E225-K247 PolarHBondContact OE1-NZ 3Å
248	I	92.9	Very high	90.5	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	144.9	178.5	-172.1	158.6	0	0	0	110.6	V217 H218 T219 E220 A252 F257 L260 T282	V217-I248 HydrophobicContact CG1-CG2 4.24Å; H218-I248 PolarHBondContact O-N 2.7Å; T219-I248 CarbonylContact C-O 3.52Å; T219-I248 VanDerWaalsContact CA-O 3.31Å; T219-I248 WeakPolarHBondContact CA-O 3.31Å; E220-I248 PolarHBondContact N-O 3.34Å; I248-A252 HydrophobicContact CD1-CB 4.07Å; I248-A252 HydrophobicContact CG1-CB 3.72Å; I248-F257 HydrophobicContact CD1-CD1 3.63Å; I248-F257 HydrophobicContact CD1-CD2 4.1Å; I248-F257 HydrophobicContact CD1-CE1 3.65Å; I248-F257 HydrophobicContact CD1-CE2 4.11Å; I248-F257 HydrophobicContact CD1-CG 3.86Å; I248-F257 HydrophobicContact CD1-CZ 3.89Å; I248-F257 HydrophobicContact CG1-CE1 4.33Å; I248-F257 HydrophobicContact CG1-CZ 4.26Å; I248-F257 HydrophobicContact CG2-CE1 4.47Å; I248-L260 HydrophobicContact CB-CD2 4.19Å; I248-L260 HydrophobicContact CD1-CB 4.46Å; I248-L260 HydrophobicContact CD1-CD2 3.74Å; I248-L260 HydrophobicContact CG2-CD2 3.93Å; I248-T282 HydrophobicContact CG2-CG2 3.57Å
249	Y	85.6	Confident	90.6	Very high	129 Å²	129	58.4 Å²	58.4	51%	0.506	32%	0.316	S	S	.	.			trans	-77.4	144.4	175.7	-58.6	-89.2	0	0	0	111	E220 N251 A252	E220-Y249 HydrophobicContact CB-CD1 3.76Å; E220-Y249 HydrophobicContact CB-CE1 4.02Å; E220-Y249 HydrophobicContact CB-CG 4.31Å; E220-Y249 HydrophobicContact CG-CD1 3.77Å; E220-Y249 HydrophobicContact CG-CE1 3.5Å; E220-Y249 VanDerWaalsContact OE2-CD1 3.26Å; E220-Y249 WeakPolarHBondContact OE2-CD1 3.49Å; E220-Y249 WeakPolarHBondContact OE2-CE1 3.49Å; Y249-N251 VanDerWaalsContact CB-OD1 3.3Å; Y249-N251 WeakPolarHBondContact CB-OD1 3.46Å; Y249-N251 PolarHBondContact O-N 3.22Å; Y249-A252 VanDerWaalsContact O-CB 3.24Å; Y249-A252 WeakPolarHBondContact O-CB 3.24Å; Y249-A252 PolarHBondContact O-N 3.01Å
250	S	81.2	Confident	90.9	Very high	34 Å²	34	56.7 Å²	56.7	24%	0.238	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.7	179.6	59.9	0	0	0	0	114.4	E279 T282	S250-E279 WeakPolarHBondContact CB-OE2 3.33Å; S250-E279 PolarHBondContact OG-OE2 3.02Å; S250-T282 VanDerWaalsContact CA-OG1 3.28Å; S250-T282 WeakPolarHBondContact CA-OG1 3.45Å; S250-T282 WeakPolarHBondContact CB-OG1 3.4Å
251	N	79.3	Confident	90.9	Very high	107 Å²	107	56.3 Å²	56.3	57%	0.572	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	13.2	172.4	69	-9	0	0	0	113.9	Y249	Y249-N251 VanDerWaalsContact CB-OD1 3.3Å; Y249-N251 WeakPolarHBondContact CB-OD1 3.46Å; Y249-N251 PolarHBondContact O-N 3.22Å
252	A	84.9	Confident	91	Very high	22 Å²	22	62.1 Å²	62.1	18%	0.182	32%	0.317	C	S	.	.			trans	-63.5	138.4	-177	0	0	0	0	0	112.5	I248 Y249 F257	I248-A252 HydrophobicContact CD1-CB 4.07Å; I248-A252 HydrophobicContact CG1-CB 3.72Å; Y249-A252 VanDerWaalsContact O-CB 3.24Å; Y249-A252 WeakPolarHBondContact O-CB 3.24Å; Y249-A252 PolarHBondContact O-N 3.01Å; A252-F257 HydrophobicContact CB-CD2 4.37Å; A252-F257 HydrophobicContact CB-CE2 3.9Å; A252-F257 VanDerWaalsContact O-CE2 3.26Å; A252-F257 WeakPolarHBondContact O-CE2 3.38Å
253	G	84.1	Confident	91.1	Very high	48 Å²	48	66.2 Å²	66.2	50%	0.495	33%	0.334	S	S	.	.			trans	-66.1	153.3	177.3	0	0	0	0	0	113.4	Q255 S256	G253-Q255 VanDerWaalsContact C-N 3.28Å; G253-Q255 PolarHBondContact O-N 3.43Å; G253-Q255 VanDerWaalsContact O-N 3.08Å; G253-S256 WeakPolarHBondContact O-CB 3.25Å; G253-S256 PolarHBondContact O-N 3.23Å
254	E	91.7	Very high	91.3	Very high	122 Å²	122	65.5 Å²	65.5	57%	0.57	33%	0.328	S	S	*	.	H	α-helix	trans	-41.8	-48.1	-176.7	-80.2	-174.8	-138.6	0	0	114.8	S256 F257 D258 R292	E254-S256 PolarHBondContact O-N 2.82Å; E254-S256 VanDerWaalsContact O-N 3.08Å; E254-F257 PolarHBondContact O-N 3.21Å; E254-D258 PolarHBondContact O-N 2.9Å; E254-R292 WeakPolarHBondContact OE2-CD 3.36Å; E254-R292 IonicContact OE2-CZ 2.83Å; E254-R292 IonicContact OE2-NE 3.97Å; E254-R292 PolarHBondContact OE2-NE 2.63Å; E254-R292 IonicContact OE2-NH1 3.89Å; E254-R292 PolarHBondContact OE2-NH1 3.4Å
255	Q	91.3	Very high	91.6	Very high	139 Å²	139	63.4 Å²	63.4	65%	0.65	32%	0.321	S	S	*	.	H	α-helix	trans	-59.5	-24.4	-178.2	-60.2	-175.7	11.1	0	0	113.6	G253 K259	G253-Q255 VanDerWaalsContact C-N 3.28Å; G253-Q255 PolarHBondContact O-N 3.43Å; G253-Q255 VanDerWaalsContact O-N 3.08Å; Q255-K259 VanDerWaalsContact O-CD 3.26Å; Q255-K259 WeakPolarHBondContact O-CD 3.46Å; Q255-K259 WeakPolarHBondContact O-CG 3.49Å; Q255-K259 PolarHBondContact O-N 3.42Å; Q255-K259 VanDerWaalsContact O-N 3.14Å
256	S	93	Very high	91.6	Very high	56 Å²	56	66.1 Å²	66.1	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-79.1	-39.4	176.1	-64.9	0	0	0	0	111.5	G253 E254 D258 K259 L260	G253-S256 WeakPolarHBondContact O-CB 3.25Å; G253-S256 PolarHBondContact O-N 3.23Å; E254-S256 PolarHBondContact O-N 2.82Å; E254-S256 VanDerWaalsContact O-N 3.08Å; S256-D258 VanDerWaalsContact C-N 3.33Å; S256-K259 PolarHBondContact O-N 3.21Å; S256-L260 WeakPolarHBondContact O-CB 3.45Å; S256-L260 PolarHBondContact O-N 2.96Å
257	F	95.3	Very high	91.4	Very high	10 Å²	10	66.6 Å²	66.6	4%	0.044	34%	0.343	C	S	.	.	H	α-helix	trans	-64.5	-37.2	169.8	-75.9	-80.7	0	0	0	111.5	I248 A252 E254 K259 L260 L261 T282 L286 A289	I248-F257 HydrophobicContact CD1-CD1 3.63Å; I248-F257 HydrophobicContact CD1-CD2 4.1Å; I248-F257 HydrophobicContact CD1-CE1 3.65Å; I248-F257 HydrophobicContact CD1-CE2 4.11Å; I248-F257 HydrophobicContact CD1-CG 3.86Å; I248-F257 HydrophobicContact CD1-CZ 3.89Å; I248-F257 HydrophobicContact CG1-CE1 4.33Å; I248-F257 HydrophobicContact CG1-CZ 4.26Å; I248-F257 HydrophobicContact CG2-CE1 4.47Å; A252-F257 HydrophobicContact CB-CD2 4.37Å; A252-F257 HydrophobicContact CB-CE2 3.9Å; A252-F257 VanDerWaalsContact O-CE2 3.26Å; A252-F257 WeakPolarHBondContact O-CE2 3.38Å; E254-F257 PolarHBondContact O-N 3.21Å; F257-K259 PolarHBondContact O-N 2.95Å; F257-L260 WeakPolarHBondContact O-CB 3.35Å; F257-L260 PolarHBondContact O-N 3.25Å; F257-L261 PolarHBondContact O-N 3.29Å; F257-T282 HydrophobicContact CE1-CG2 4.13Å; F257-T282 WeakPolarHBondContact CE1-O 3.43Å; F257-T282 HydrophobicContact CZ-CG2 4.31Å; F257-L286 HydrophobicContact CD1-CD2 4.15Å; F257-L286 HydrophobicContact CD1-CG 4.16Å; F257-L286 HydrophobicContact CE1-CG 4.19Å; F257-A289 HydrophobicContact CB-CB 3.8Å
258	D	95.6	Very high	91.3	Very high	24 Å²	24	62.2 Å²	62.2	13%	0.128	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-39.8	174.8	-62.7	-34	0	0	0	112.4	E254 S256 L260 K262 R292	E254-D258 PolarHBondContact O-N 2.9Å; S256-D258 VanDerWaalsContact C-N 3.33Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-K262 WeakPolarHBondContact O-CB 3.46Å; D258-K262 WeakPolarHBondContact O-CD 3.39Å; D258-K262 VanDerWaalsContact O-CG 3.24Å; D258-K262 WeakPolarHBondContact O-CG 3.23Å; D258-K262 PolarHBondContact O-N 2.92Å; D258-R292 IonicContact OD1-CZ 3.47Å; D258-R292 VanDerWaalsContact OD1-CZ 3.28Å; D258-R292 IonicContact OD1-NH1 2.73Å; D258-R292 PolarHBondContact OD1-NH1 3.01Å; D258-R292 IonicContact OD1-NH2 2.65Å; D258-R292 PolarHBondContact OD1-NH2 3.02Å; D258-R292 IonicContact OD2-CZ 3.35Å; D258-R292 IonicContact OD2-NH1 2.63Å; D258-R292 PolarHBondContact OD2-NH1 3Å; D258-R292 IonicContact OD2-NH2 3.86Å; D258-R292 PolarHBondContact OD2-NH2 3.28Å
259	K	95.6	Very high	91.2	Very high	123 Å²	123	66.7 Å²	66.7	54%	0.535	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-34.5	173.5	-73	162.3	-168.1	167.8	0	111.6	Q255 S256 F257 K263	Q255-K259 VanDerWaalsContact O-CD 3.26Å; Q255-K259 WeakPolarHBondContact O-CD 3.46Å; Q255-K259 WeakPolarHBondContact O-CG 3.49Å; Q255-K259 PolarHBondContact O-N 3.42Å; Q255-K259 VanDerWaalsContact O-N 3.14Å; S256-K259 PolarHBondContact O-N 3.21Å; F257-K259 PolarHBondContact O-N 2.95Å; K259-K263 WeakPolarHBondContact O-CG 3.23Å; K259-K263 PolarHBondContact O-N 3.43Å
260	L	95.8	Very high	91.4	Very high	12 Å²	12	65 Å²	65	6%	0.063	35%	0.351	C	S	.	.	H	α-helix	trans	-67.8	-51.3	175.8	174.9	54.7	0	0	0	111.6	V217 Y246 I248 S256 F257 D258 K262 K263 L264 L286	V217-L260 HydrophobicContact CG1-CD2 4.08Å; Y246-L260 VanDerWaalsContact CB-CD1 3.4Å; Y246-L260 HydrophobicContact CD1-CD1 4.16Å; Y246-L260 HydrophobicContact CD2-CD1 3.79Å; Y246-L260 HydrophobicContact CG-CD1 3.51Å; I248-L260 HydrophobicContact CB-CD2 4.19Å; I248-L260 HydrophobicContact CD1-CB 4.46Å; I248-L260 HydrophobicContact CD1-CD2 3.74Å; I248-L260 HydrophobicContact CG2-CD2 3.93Å; S256-L260 WeakPolarHBondContact O-CB 3.45Å; S256-L260 PolarHBondContact O-N 2.96Å; F257-L260 WeakPolarHBondContact O-CB 3.35Å; F257-L260 PolarHBondContact O-N 3.25Å; D258-L260 VanDerWaalsContact C-N 3.33Å; L260-K262 VanDerWaalsContact C-N 3.33Å; L260-K262 PolarHBondContact O-N 3Å; L260-K263 WeakPolarHBondContact O-CB 3.38Å; L260-K263 PolarHBondContact O-N 3.49Å; L260-K263 VanDerWaalsContact O-N 3.08Å; L260-L264 HydrophobicContact CD1-CD1 4.02Å; L260-L264 HydrophobicContact CD1-CG 4.31Å; L260-L264 HydrophobicContact CG-CD1 4.03Å; L260-L264 PolarHBondContact O-N 3.19Å; L260-L286 HydrophobicContact CD2-CD2 3.83Å; L260-L286 HydrophobicContact CG-CD2 4.31Å
261	L	95.3	Very high	91.9	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-36.7	177.4	-75.8	-177.3	0	0	0	112.7	F257 K263 L264 T265 L286 A289 M290 L293 L295 F299	F257-L261 PolarHBondContact O-N 3.29Å; L261-K263 VanDerWaalsContact C-N 3.27Å; L261-K263 PolarHBondContact O-N 2.74Å; L261-L264 HydrophobicContact CD2-CD1 4.01Å; L261-L264 PolarHBondContact O-N 3.01Å; L261-T265 WeakPolarHBondContact O-CB 3.48Å; L261-T265 PolarHBondContact O-N 3.02Å; L261-T265 PolarHBondContact O-OG1 2.89Å; L261-L286 HydrophobicContact CD2-CD2 4.13Å; L261-L286 HydrophobicContact CG-CD2 4.47Å; L261-A289 HydrophobicContact CD1-CB 3.4Å; L261-A289 VanDerWaalsContact CD1-CB 3.4Å; L261-A289 HydrophobicContact CG-CB 4.24Å; L261-M290 HydrophobicContact CD1-CB 4.28Å; L261-M290 HydrophobicContact CD1-CG 3.68Å; L261-M290 HydrophobicContact CD2-CG 4.04Å; L261-L293 HydrophobicContact CB-CD1 3.74Å; L261-L293 HydrophobicContact CD1-CD1 4.12Å; L261-L295 HydrophobicContact CB-CD1 4.41Å; L261-F299 HydrophobicContact CD2-CE2 4.47Å
262	K	94.9	Very high	92.6	Very high	132 Å²	132	61.4 Å²	61.4	57%	0.574	32%	0.324	S	S	*	.	H	α-helix	trans	-62.2	-33.8	173.4	-75	171	-177	177.4	0	112.7	D258 L260 S266 L293	D258-K262 WeakPolarHBondContact O-CB 3.46Å; D258-K262 WeakPolarHBondContact O-CD 3.39Å; D258-K262 VanDerWaalsContact O-CG 3.24Å; D258-K262 WeakPolarHBondContact O-CG 3.23Å; D258-K262 PolarHBondContact O-N 2.92Å; L260-K262 VanDerWaalsContact C-N 3.33Å; L260-K262 PolarHBondContact O-N 3Å; K262-S266 PolarHBondContact O-N 3.15Å; K262-L293 HydrophobicContact CG-CD1 4.36Å
263	K	94.9	Very high	93.1	Very high	118 Å²	118	60.4 Å²	60.4	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-71	-45.2	172	-72.5	176.6	177.9	-172.8	0	112.1	Y246 K259 L260 L261 T265 S266 H267	Y246-K263 HydrophobicContact CD1-CD 4.36Å; Y246-K263 HydrophobicContact CE1-CB 4.01Å; Y246-K263 HydrophobicContact CE1-CD 3.78Å; Y246-K263 HydrophobicContact CE1-CG 4.48Å; Y246-K263 HydrophobicContact CE2-CB 4.41Å; K259-K263 WeakPolarHBondContact O-CG 3.23Å; K259-K263 PolarHBondContact O-N 3.43Å; L260-K263 WeakPolarHBondContact O-CB 3.38Å; L260-K263 PolarHBondContact O-N 3.49Å; L260-K263 VanDerWaalsContact O-N 3.08Å; L261-K263 VanDerWaalsContact C-N 3.27Å; L261-K263 PolarHBondContact O-N 2.74Å; K263-T265 VanDerWaalsContact C-N 3.3Å; K263-T265 PolarHBondContact O-N 3.1Å; K263-S266 WeakPolarHBondContact O-CB 3.49Å; K263-S266 PolarHBondContact O-N 3.49Å; K263-S266 VanDerWaalsContact O-N 3.12Å; K263-S266 PolarHBondContact O-OG 3.3Å; K263-H267 PolarHBondContact O-CD2 3.31Å
264	L	95	Very high	93.8	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-41.1	174.9	-71.3	161.7	0	0	0	111.9	V217 Y246 L260 L261 S266 H267 V274 F299	V217-L264 HydrophobicContact CG2-CD1 4Å; V217-L264 HydrophobicContact CG2-CD2 4.16Å; Y246-L264 HydrophobicContact CD2-CD2 3.84Å; Y246-L264 HydrophobicContact CD2-CG 4.18Å; Y246-L264 HydrophobicContact CE2-CD2 3.82Å; Y246-L264 HydrophobicContact CE2-CG 4.13Å; L260-L264 HydrophobicContact CD1-CD1 4.02Å; L260-L264 HydrophobicContact CD1-CG 4.31Å; L260-L264 HydrophobicContact CG-CD1 4.03Å; L260-L264 PolarHBondContact O-N 3.19Å; L261-L264 HydrophobicContact CD2-CD1 4.01Å; L261-L264 PolarHBondContact O-N 3.01Å; L264-S266 PolarHBondContact O-N 2.63Å; L264-H267 PolarHBondContact O-N 3.36Å; L264-V274 HydrophobicContact CD2-CG1 4.25Å; L264-F299 HydrophobicContact CB-CE1 4.13Å; L264-F299 HydrophobicContact CB-CZ 3.9Å
265	T	94.6	Very high	94	Very high	49 Å²	49	52.4 Å²	52.4	30%	0.301	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-29.3	177	-54.4	0	0	0	0	112.3	L261 K263 H267 L268	L261-T265 WeakPolarHBondContact O-CB 3.48Å; L261-T265 PolarHBondContact O-N 3.02Å; L261-T265 PolarHBondContact O-OG1 2.89Å; K263-T265 VanDerWaalsContact C-N 3.3Å; K263-T265 PolarHBondContact O-N 3.1Å; T265-H267 PolarHBondContact O-N 3.13Å; T265-L268 HydrophobicContact CG2-CD1 4.45Å; T265-L268 PolarHBondContact O-N 3.36Å; T265-L268 VanDerWaalsContact O-N 3.1Å
266	S	93.4	Very high	94.3	Very high	89 Å²	89	45.9 Å²	45.9	62%	0.622	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.1	176.9	73.5	0	0	0	0	114.4	K262 K263 L264	K262-S266 PolarHBondContact O-N 3.15Å; K263-S266 WeakPolarHBondContact O-CB 3.49Å; K263-S266 PolarHBondContact O-N 3.49Å; K263-S266 VanDerWaalsContact O-N 3.12Å; K263-S266 PolarHBondContact O-OG 3.3Å; L264-S266 PolarHBondContact O-N 2.63Å
267	H	91.8	Very high	94.4	Very high	33 Å²	33	43.2 Å²	43.2	15%	0.153	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-2.8	172.9	-54.3	-69	0	0	0	113.7	A243 Y246 K263 L264 T265 K270 A271	A243-H267 HydrophobicContact CB-CB 4.47Å; Y246-H267 PolarHBondContact OH-NE2 3.32Å; K263-H267 PolarHBondContact O-CD2 3.31Å; L264-H267 PolarHBondContact O-N 3.36Å; T265-H267 PolarHBondContact O-N 3.13Å; H267-K270 WeakPolarHBondContact O-CA 3.37Å; H267-K270 WeakPolarHBondContact O-CB 3.46Å; H267-K270 PolarHBondContact O-N 3.41Å; H267-A271 HydrophobicContact CB-CB 3.92Å; H267-A271 PolarHBondContact O-N 3.26Å
268	L	90.4	Very high	94.2	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.209	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	147.8	173.2	-72.5	178.9	0	0	0	111	T265 K270 R272 E298 F299	T265-L268 HydrophobicContact CG2-CD1 4.45Å; T265-L268 PolarHBondContact O-N 3.36Å; T265-L268 VanDerWaalsContact O-N 3.1Å; L268-K270 VanDerWaalsContact C-N 3.35Å; L268-R272 HydrophobicContact CD2-CB 4.49Å; L268-R272 HydrophobicContact CD2-CG 3.93Å; L268-E298 HydrophobicContact CD1-CB 4.24Å; L268-F299 HydrophobicContact CD1-CE1 3.8Å; L268-F299 HydrophobicContact CD1-CE2 4.08Å; L268-F299 HydrophobicContact CD1-CZ 3.55Å; L268-F299 HydrophobicContact CD2-CD1 4.03Å; L268-F299 HydrophobicContact CD2-CE1 3.67Å; L268-F299 HydrophobicContact CD2-CZ 4.31Å; L268-F299 HydrophobicContact CG-CD1 4.47Å; L268-F299 HydrophobicContact CG-CE1 3.67Å; L268-F299 HydrophobicContact CG-CZ 3.86Å
269	P	90.7	Very high	93.8	Very high	106 Å²	106	43.8 Å²	43.8	69%	0.688	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.3	8.3	-2	36.1	-36.7	0	0	0	113.9	R272	P269-R272 WeakPolarHBondContact O-CG 3.34Å
270	K	90.2	Very high	93.4	Very high	94 Å²	94	38 Å²	38	41%	0.409	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-46.5	-173.4	-63.1	-172.3	170.6	-142.6	0	113.3	Y213 H267 L268 S509 V510 C511	Y213-K270 HydrophobicContact CD1-CB 3.75Å; Y213-K270 HydrophobicContact CE1-CB 3.72Å; Y213-K270 HydrophobicContact CE1-CD 4.45Å; H267-K270 WeakPolarHBondContact O-CA 3.37Å; H267-K270 WeakPolarHBondContact O-CB 3.46Å; H267-K270 PolarHBondContact O-N 3.41Å; L268-K270 VanDerWaalsContact C-N 3.35Å; K270-S509 CarbonylContact O-C 3.52Å; K270-S509 WeakPolarHBondContact O-CA 3.41Å; K270-V510 PolarHBondContact O-N 3.09Å; K270-V510 VanDerWaalsContact O-N 3.09Å; K270-C511 WeakPolarHBondContact CE-O 3.48Å; K270-C511 PolarHBondContact NZ-O 3.16Å; K270-C511 PolarHBondContact NZ-SG 3.42Å; K270-C511 VanDerWaalsContact NZ-SG 3.39Å
271	A	93.1	Very high	92.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.			trans	-108.9	84.3	179.3	0	0	0	0	0	110.3	Y213 A243 H267 S509	Y213-A271 HydrophobicContact CD1-CB 3.74Å; Y213-A271 HydrophobicContact CE1-CB 3.84Å; A243-A271 HydrophobicContact CB-CB 4.09Å; H267-A271 HydrophobicContact CB-CB 3.92Å; H267-A271 PolarHBondContact O-N 3.26Å; A271-S509 WeakPolarHBondContact CA-OG 3.44Å
272	R	93.7	Very high	92.8	Very high	66 Å²	66	42 Å²	42	25%	0.249	21%	0.213	C	C	.	.			trans	-83.3	-27.4	178	-64.6	-160.2	63.8	-166.1	-3.1	113.3	L268 P269 G297 E298 F299 L300 I507 S509	L268-R272 HydrophobicContact CD2-CB 4.49Å; L268-R272 HydrophobicContact CD2-CG 3.93Å; P269-R272 WeakPolarHBondContact O-CG 3.34Å; R272-G297 PolarHBondContact NH2-O 3.24Å; R272-E298 PolarHBondContact NE-O 2.78Å; R272-E298 PolarHBondContact NH2-O 3.07Å; R272-F299 WeakPolarHBondContact O-CA 3.44Å; R272-L300 PolarHBondContact O-N 3.29Å; R272-I507 HydrophobicContact CB-CG2 3.56Å; R272-I507 HydrophobicContact CG-CG2 4.35Å; R272-S509 PolarHBondContact N-OG 2.99Å
273	V	95.9	Very high	92.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.1	178.5	-177.2	0	0	0	0	109.8	W211 V214 S215 L300 L302 I507 S509	W211-V273 HydrophobicContact CD2-CG2 3.74Å; W211-V273 HydrophobicContact CE3-CB 4.36Å; W211-V273 HydrophobicContact CE3-CG1 3.92Å; W211-V273 HydrophobicContact CE3-CG2 3.84Å; W211-V273 HydrophobicContact CG-CG2 4.3Å; W211-V273 HydrophobicContact CH2-CG2 4.24Å; W211-V273 HydrophobicContact CZ2-CG2 4.12Å; W211-V273 HydrophobicContact CZ3-CG1 3.95Å; W211-V273 HydrophobicContact CZ3-CG2 4.09Å; V214-V273 HydrophobicContact CG1-CB 4.16Å; V214-V273 HydrophobicContact CG1-CG1 4.39Å; S215-V273 PolarHBondContact N-O 3.38Å; V273-L300 CarbonylContact C-O 3.55Å; V273-L300 WeakPolarHBondContact CA-O 3.29Å; V273-L300 HydrophobicContact CG2-CB 4.21Å; V273-L300 HydrophobicContact CG2-CD2 3.99Å; V273-L302 HydrophobicContact CG1-CB 4.24Å; V273-I507 HydrophobicContact CG2-CG2 4.26Å; V273-S509 PolarHBondContact N-OG 3.17Å
274	V	96.8	Very high	92.8	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.2	176.8	-168	0	0	0	0	108.8	S215 V217 L264 F299 L300 L301 L302	S215-V274 CarbonylContact O-C 3.43Å; S215-V274 WeakPolarHBondContact O-CA 3.5Å; V217-V274 HydrophobicContact CB-CG1 4.38Å; V217-V274 HydrophobicContact CG2-CG1 3.63Å; L264-V274 HydrophobicContact CD2-CG1 4.25Å; V274-F299 HydrophobicContact CG2-CB 4.15Å; V274-F299 HydrophobicContact CG2-CD1 3.65Å; V274-F299 HydrophobicContact CG2-CE1 4.36Å; V274-F299 HydrophobicContact CG2-CG 4.13Å; V274-L300 PolarHBondContact N-O 3.02Å; V274-L301 HydrophobicContact CB-CD2 4.07Å; V274-L301 HydrophobicContact CG2-CD2 4.44Å; V274-L302 PolarHBondContact O-N 2.99Å
275	A	97.4	Very high	92.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.7	173.4	0	0	0	0	0	110	M202 S215 A216 V217 F231 L302	M202-A275 HydrophobicContact CE-CB 4.18Å; S215-A275 PolarHBondContact O-N 3.3Å; A216-A275 WeakPolarHBondContact CA-O 3.45Å; V217-A275 PolarHBondContact N-O 3.25Å; V217-A275 VanDerWaalsContact O-O 3.14Å; F231-A275 HydrophobicContact CE1-CB 3.82Å; F231-A275 HydrophobicContact CE2-CB 4.43Å; F231-A275 HydrophobicContact CZ-CB 3.75Å; A275-L302 CarbonylContact C-O 3.5Å; A275-L302 WeakPolarHBondContact CA-O 3.43Å
276	C	96.3	Very high	92.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	96.7	-168.9	-76.2	0	0	0	0	111.7	V217 C278 L302 S304	V217-C276 WeakPolarHBondContact O-CA 3.47Å; C276-C278 VanDerWaalsContact C-N 3.31Å; C276-C278 HydrophobicContact CB-CB 4.32Å; C276-C278 PolarHBondContact O-N 3.05Å; C276-L302 PolarHBondContact N-O 3.11Å; C276-S304 PolarHBondContact O-N 3.31Å; C276-S304 VanDerWaalsContact O-N 3.08Å; C276-S304 PolarHBondContact O-OG 2.93Å
277	F	95	Very high	92.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	74.8	166	-87.3	-85.3	0	0	0	109.6	Q198 A199 M202 V217 H218 T219 G224 M228 F231	Q198-F277 HydrophobicContact CB-CE1 4.11Å; Q198-F277 HydrophobicContact CB-CZ 4.36Å; A199-F277 HydrophobicContact CB-CZ 3.99Å; M202-F277 HydrophobicContact CE-CD2 3.98Å; M202-F277 HydrophobicContact CE-CE2 3.53Å; M202-F277 HydrophobicContact CE-CZ 4.14Å; M202-F277 HydrophobicContact SD-CD2 4.26Å; M202-F277 HydrophobicContact SD-CE1 4.2Å; M202-F277 HydrophobicContact SD-CE2 3.44Å; M202-F277 WeakPolarHBondContact SD-CE2 3.28Å; M202-F277 HydrophobicContact SD-CZ 3.39Å; M202-F277 WeakPolarHBondContact SD-CZ 3.48Å; V217-F277 PolarHBondContact O-N 2.95Å; H218-F277 VanDerWaalsContact CA-O 3.25Å; H218-F277 WeakPolarHBondContact CA-O 3.44Å; H218-F277 HydrophobicContact CB-CB 4.13Å; H218-F277 WeakPolarHBondContact CB-O 3.48Å; T219-F277 PolarHBondContact N-O 3.28Å; G224-F277 WeakPolarHBondContact CA-O 3.26Å; M228-F277 HydrophobicContact CB-CB 4.43Å; M228-F277 HydrophobicContact CE-CB 4.22Å; M228-F277 HydrophobicContact CE-CD2 3.98Å; F231-F277 HydrophobicContact CB-CD2 4.31Å; F231-F277 HydrophobicContact CB-CE2 3.78Å; F231-F277 HydrophobicContact CD2-CE2 4.07Å; F231-F277 HydrophobicContact CG-CE2 4.04Å
278	C	91.6	Very high	93.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.			trans	-135.5	135.7	-162.4	-73.9	0	0	0	0	112.1	C276 T282 V283 S304	C276-C278 VanDerWaalsContact C-N 3.31Å; C276-C278 HydrophobicContact CB-CB 4.32Å; C276-C278 PolarHBondContact O-N 3.05Å; C278-T282 HydrophobicContact CB-CG2 4.22Å; C278-V283 HydrophobicContact CB-CG2 3.7Å; C278-S304 PolarHBondContact N-OG 2.89Å
279	E	87.3	Confident	93.3	Very high	46 Å²	46	25.7 Å²	25.7	22%	0.215	13%	0.128	C	C	.	.			trans	-58.9	147.4	162	-72.8	-176	151.8	0	0	110.5	T219 S250 M281 T282 V283	T219-E279 HydrophobicContact CG2-CG 4.29Å; S250-E279 WeakPolarHBondContact CB-OE2 3.33Å; S250-E279 PolarHBondContact OG-OE2 3.02Å; E279-M281 PolarHBondContact O-N 3.25Å; E279-T282 WeakPolarHBondContact O-CA 3.4Å; E279-T282 VanDerWaalsContact O-CB 3.29Å; E279-T282 WeakPolarHBondContact O-CB 3.47Å; E279-T282 PolarHBondContact O-N 3.35Å; E279-V283 PolarHBondContact O-N 2.7Å
280	G	87.3	Confident	93.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-57.8	-25.6	-177.5	0	0	0	0	0	115.5	V283 R284 G306 V313	G280-V283 PolarHBondContact O-N 3.1Å; G280-R284 WeakPolarHBondContact O-CB 3.36Å; G280-R284 PolarHBondContact O-N 3.23Å; G280-G306 WeakPolarHBondContact CA-O 3.24Å; G280-G306 PolarHBondContact N-O 3.47Å; G280-V313 WeakPolarHBondContact O-CG1 3.33Å
281	M	86.2	Confident	93.9	Very high	100 Å²	100	21.1 Å²	21.1	49%	0.493	10%	0.095	S	C	.	.	H	α-helix	trans	-67.8	-36.5	172.9	-65.8	-52.3	-58.5	0	0	112.2	E279 R284 G285	E279-M281 PolarHBondContact O-N 3.25Å; M281-R284 PolarHBondContact O-N 3.4Å; M281-G285 PolarHBondContact O-N 3.49Å
282	T	91.9	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.4	-38.8	174	-51.6	0	0	0	0	111	T219 I248 S250 F257 C278 E279 G285 L286	T219-T282 PolarHBondContact OG1-OG1 3.05Å; I248-T282 HydrophobicContact CG2-CG2 3.57Å; S250-T282 VanDerWaalsContact CA-OG1 3.28Å; S250-T282 WeakPolarHBondContact CA-OG1 3.45Å; S250-T282 WeakPolarHBondContact CB-OG1 3.4Å; F257-T282 HydrophobicContact CE1-CG2 4.13Å; F257-T282 WeakPolarHBondContact CE1-O 3.43Å; F257-T282 HydrophobicContact CZ-CG2 4.31Å; C278-T282 HydrophobicContact CB-CG2 4.22Å; E279-T282 WeakPolarHBondContact O-CA 3.4Å; E279-T282 VanDerWaalsContact O-CB 3.29Å; E279-T282 WeakPolarHBondContact O-CB 3.47Å; E279-T282 PolarHBondContact O-N 3.35Å; T282-G285 PolarHBondContact O-N 3.26Å; T282-L286 PolarHBondContact O-N 3.33Å
283	V	95.4	Very high	94	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.9	-42.4	174.3	-178.4	0	0	0	0	111.3	C278 E279 G280 G285 L286 L287 L301 W307 V313	C278-V283 HydrophobicContact CB-CG2 3.7Å; E279-V283 PolarHBondContact O-N 2.7Å; G280-V283 PolarHBondContact O-N 3.1Å; V283-G285 VanDerWaalsContact C-N 3.3Å; V283-G285 PolarHBondContact O-N 3.09Å; V283-L286 WeakPolarHBondContact O-CB 3.42Å; V283-L286 PolarHBondContact O-N 3.34Å; V283-L286 VanDerWaalsContact O-N 3.13Å; V283-L287 HydrophobicContact CG1-CD1 4.36Å; V283-L287 WeakPolarHBondContact O-CG 3.46Å; V283-L287 PolarHBondContact O-N 3.37Å; V283-L301 HydrophobicContact CG1-CD1 4.44Å; V283-W307 HydrophobicContact CB-CB 4.42Å; V283-W307 HydrophobicContact CB-CG 4.23Å; V283-W307 HydrophobicContact CG1-CB 4.48Å; V283-W307 HydrophobicContact CG1-CD2 3.95Å; V283-W307 HydrophobicContact CG1-CE3 4.38Å; V283-W307 HydrophobicContact CG1-CG 3.95Å; V283-W307 HydrophobicContact CG2-CB 4.46Å; V283-W307 HydrophobicContact CG2-CG 4.05Å; V283-V313 HydrophobicContact CB-CG1 3.98Å; V283-V313 HydrophobicContact CG1-CG1 3.96Å
284	R	94.3	Very high	94	Very high	46 Å²	46	28.7 Å²	28.7	17%	0.174	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-40.8	172.9	-170.2	166.3	-176.6	74.8	-5.9	111.7	G280 M281 L287 M288 D312 V313 D315	G280-R284 WeakPolarHBondContact O-CB 3.36Å; G280-R284 PolarHBondContact O-N 3.23Å; M281-R284 PolarHBondContact O-N 3.4Å; R284-L287 PolarHBondContact O-N 2.88Å; R284-M288 HydrophobicContact CG-CE 3.9Å; R284-M288 HydrophobicContact CG-SD 4.23Å; R284-M288 WeakPolarHBondContact O-CB 3.45Å; R284-M288 WeakPolarHBondContact O-CG 3.25Å; R284-M288 PolarHBondContact O-N 2.91Å; R284-D312 PolarHBondContact NH1-O 2.88Å; R284-D312 VanDerWaalsContact NH1-O 3.11Å; R284-V313 HydrophobicContact CB-CG1 4.2Å; R284-V313 WeakPolarHBondContact CG-O 3.36Å; R284-V313 PolarHBondContact NH1-O 3.23Å; R284-D315 VanDerWaalsContact CZ-O 3.31Å; R284-D315 PolarHBondContact NH1-O 3.09Å; R284-D315 PolarHBondContact NH2-O 3.09Å
285	G	93.9	Very high	93.8	Very high	10 Å²	10	30 Å²	30	10%	0.103	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-38.3	173.7	0	0	0	0	0	113.8	M281 T282 V283 A289	M281-G285 PolarHBondContact O-N 3.49Å; T282-G285 PolarHBondContact O-N 3.26Å; V283-G285 VanDerWaalsContact C-N 3.3Å; V283-G285 PolarHBondContact O-N 3.09Å; G285-A289 WeakPolarHBondContact O-CB 3.27Å; G285-A289 PolarHBondContact O-N 3.45Å; G285-A289 VanDerWaalsContact O-N 3.08Å
286	L	95.6	Very high	93.4	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-49.4	171.7	-73.9	167	0	0	0	111.5	V217 F257 L260 L261 T282 V283 M288 A289 M290	V217-L286 HydrophobicContact CG1-CD1 4.4Å; F257-L286 HydrophobicContact CD1-CD2 4.15Å; F257-L286 HydrophobicContact CD1-CG 4.16Å; F257-L286 HydrophobicContact CE1-CG 4.19Å; L260-L286 HydrophobicContact CD2-CD2 3.83Å; L260-L286 HydrophobicContact CG-CD2 4.31Å; L261-L286 HydrophobicContact CD2-CD2 4.13Å; L261-L286 HydrophobicContact CG-CD2 4.47Å; T282-L286 PolarHBondContact O-N 3.33Å; V283-L286 WeakPolarHBondContact O-CB 3.42Å; V283-L286 PolarHBondContact O-N 3.34Å; V283-L286 VanDerWaalsContact O-N 3.13Å; L286-M288 VanDerWaalsContact C-N 3.35Å; L286-M288 PolarHBondContact O-N 2.78Å; L286-A289 CarbonylContact O-C 3.58Å; L286-A289 PolarHBondContact O-N 3.42Å; L286-A289 VanDerWaalsContact O-N 3.11Å; L286-M290 WeakPolarHBondContact O-CG 3.31Å; L286-M290 PolarHBondContact O-N 3.19Å
287	L	96.3	Very high	92.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-41.7	178.2	-65.8	173	0	0	0	112.2	V283 R284 A289 M290 R291 L301 T314 Y317 E320 A321	V283-L287 HydrophobicContact CG1-CD1 4.36Å; V283-L287 WeakPolarHBondContact O-CG 3.46Å; V283-L287 PolarHBondContact O-N 3.37Å; R284-L287 PolarHBondContact O-N 2.88Å; L287-A289 VanDerWaalsContact C-N 3.32Å; L287-A289 PolarHBondContact O-N 2.8Å; L287-M290 HydrophobicContact CD2-SD 4.28Å; L287-M290 PolarHBondContact O-N 3.42Å; L287-R291 PolarHBondContact O-N 3.41Å; L287-L301 HydrophobicContact CD2-CD1 3.99Å; L287-T314 HydrophobicContact CD1-CG2 4.5Å; L287-Y317 HydrophobicContact CB-CG 4.34Å; L287-E320 HydrophobicContact CD2-CB 3.93Å; L287-A321 HydrophobicContact CD1-CB 3.99Å; L287-A321 HydrophobicContact CD2-CB 3.81Å
288	M	95.4	Very high	92.7	Very high	63 Å²	63	38.7 Å²	38.7	31%	0.31	22%	0.215	S	C	.	.	H	α-helix	trans	-57.9	-41.9	172.5	-78.7	171.7	169.3	0	0	112.4	R284 L286 R292 Y317	R284-M288 HydrophobicContact CG-CE 3.9Å; R284-M288 HydrophobicContact CG-SD 4.23Å; R284-M288 WeakPolarHBondContact O-CB 3.45Å; R284-M288 WeakPolarHBondContact O-CG 3.25Å; R284-M288 PolarHBondContact O-N 2.91Å; L286-M288 VanDerWaalsContact C-N 3.35Å; L286-M288 PolarHBondContact O-N 2.78Å; M288-R292 WeakPolarHBondContact O-CG 3.22Å; M288-R292 PolarHBondContact O-N 3.49Å; M288-R292 VanDerWaalsContact O-N 3.13Å; M288-R292 PolarHBondContact O-NE 3.02Å; M288-Y317 HydrophobicContact CB-CE1 4.36Å; M288-Y317 HydrophobicContact CE-CE2 3.75Å; M288-Y317 HydrophobicContact CG-CD1 4.44Å; M288-Y317 HydrophobicContact CG-CD2 4.44Å; M288-Y317 HydrophobicContact CG-CE1 3.78Å; M288-Y317 HydrophobicContact CG-CE2 3.8Å; M288-Y317 VanDerWaalsContact CG-CZ 3.44Å
289	A	95.5	Very high	92.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-75.4	-33	176.9	0	0	0	0	0	112.5	F257 L261 G285 L286 L287 R291 R292 L293	F257-A289 HydrophobicContact CB-CB 3.8Å; L261-A289 HydrophobicContact CD1-CB 3.4Å; L261-A289 VanDerWaalsContact CD1-CB 3.4Å; L261-A289 HydrophobicContact CG-CB 4.24Å; G285-A289 WeakPolarHBondContact O-CB 3.27Å; G285-A289 PolarHBondContact O-N 3.45Å; G285-A289 VanDerWaalsContact O-N 3.08Å; L286-A289 CarbonylContact O-C 3.58Å; L286-A289 PolarHBondContact O-N 3.42Å; L286-A289 VanDerWaalsContact O-N 3.11Å; L287-A289 VanDerWaalsContact C-N 3.32Å; L287-A289 PolarHBondContact O-N 2.8Å; A289-R291 VanDerWaalsContact C-N 3.32Å; A289-R291 PolarHBondContact O-N 2.8Å; A289-R292 PolarHBondContact O-N 3.02Å; A289-L293 WeakPolarHBondContact O-CB 3.43Å; A289-L293 WeakPolarHBondContact O-CG 3.49Å; A289-L293 PolarHBondContact O-N 3.32Å
290	M	96.3	Very high	93.1	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-43.2	173.8	-74.9	171.4	64.3	0	0	110.3	L261 L286 L287 G294 L295 E320	L261-M290 HydrophobicContact CD1-CB 4.28Å; L261-M290 HydrophobicContact CD1-CG 3.68Å; L261-M290 HydrophobicContact CD2-CG 4.04Å; L286-M290 WeakPolarHBondContact O-CG 3.31Å; L286-M290 PolarHBondContact O-N 3.19Å; L287-M290 HydrophobicContact CD2-SD 4.28Å; L287-M290 PolarHBondContact O-N 3.42Å; M290-G294 PolarHBondContact O-N 3.32Å; M290-L295 PolarHBondContact O-N 2.86Å; M290-E320 HydrophobicContact CB-CB 4.4Å; M290-E320 HydrophobicContact CB-CG 4.29Å; M290-E320 WeakPolarHBondContact CE-O 3.35Å
291	R	95.8	Very high	93.5	Very high	103 Å²	103	37.9 Å²	37.9	39%	0.389	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-52.9	171.3	-179.4	167.6	-68	168.6	3.2	112.4	L287 A289 L293 G294 G316 Y317 E320	L287-R291 PolarHBondContact O-N 3.41Å; A289-R291 VanDerWaalsContact C-N 3.32Å; A289-R291 PolarHBondContact O-N 2.8Å; R291-L293 PolarHBondContact O-N 2.94Å; R291-G294 PolarHBondContact O-N 3.38Å; R291-G294 VanDerWaalsContact O-N 3.08Å; R291-G316 PolarHBondContact NH1-O 2.83Å; R291-G316 PolarHBondContact NH2-O 2.91Å; R291-Y317 HydrophobicContact CB-CD1 4.34Å; R291-Y317 HydrophobicContact CB-CE1 4.42Å; R291-E320 HydrophobicContact CB-CG 4.13Å; R291-E320 WeakPolarHBondContact CB-OE1 3.37Å; R291-E320 IonicContact CZ-OE1 2.89Å; R291-E320 IonicContact CZ-OE2 2.69Å; R291-E320 IonicContact NE-OE1 3.48Å; R291-E320 PolarHBondContact NE-OE1 3.48Å; R291-E320 IonicContact NE-OE2 3.7Å; R291-E320 VanDerWaalsContact NH2-CD 3.33Å; R291-E320 IonicContact NH2-OE1 3.57Å; R291-E320 PolarHBondContact NH2-OE1 3.27Å; R291-E320 IonicContact NH2-OE2 3.48Å; R291-E320 PolarHBondContact NH2-OE2 2.96Å
292	R	95.2	Very high	94	Very high	101 Å²	101	33.1 Å²	33.1	38%	0.381	19%	0.188	S	C	.	.	H	α-helix	trans	-63.9	-23.1	-175.7	-71.6	-178.7	-56.8	106.1	18	113.4	E254 D258 M288 A289	E254-R292 WeakPolarHBondContact OE2-CD 3.36Å; E254-R292 IonicContact OE2-CZ 2.83Å; E254-R292 IonicContact OE2-NE 3.97Å; E254-R292 PolarHBondContact OE2-NE 2.63Å; E254-R292 IonicContact OE2-NH1 3.89Å; E254-R292 PolarHBondContact OE2-NH1 3.4Å; D258-R292 IonicContact OD1-CZ 3.47Å; D258-R292 VanDerWaalsContact OD1-CZ 3.28Å; D258-R292 IonicContact OD1-NH1 2.73Å; D258-R292 PolarHBondContact OD1-NH1 3.01Å; D258-R292 IonicContact OD1-NH2 2.65Å; D258-R292 PolarHBondContact OD1-NH2 3.02Å; D258-R292 IonicContact OD2-CZ 3.35Å; D258-R292 IonicContact OD2-NH1 2.63Å; D258-R292 PolarHBondContact OD2-NH1 3Å; D258-R292 IonicContact OD2-NH2 3.86Å; D258-R292 PolarHBondContact OD2-NH2 3.28Å; M288-R292 WeakPolarHBondContact O-CG 3.22Å; M288-R292 PolarHBondContact O-N 3.49Å; M288-R292 VanDerWaalsContact O-N 3.13Å; M288-R292 PolarHBondContact O-NE 3.02Å; A289-R292 PolarHBondContact O-N 3.02Å
293	L	95.3	Very high	94.1	Very high	58 Å²	58	33.1 Å²	33.1	30%	0.304	19%	0.188	S	C	.	.	H	α-helix	trans	-99.9	-4	174.5	-61.9	-178.9	0	0	0	114.5	L261 K262 A289 R291 L295	L261-L293 HydrophobicContact CB-CD1 3.74Å; L261-L293 HydrophobicContact CD1-CD1 4.12Å; K262-L293 HydrophobicContact CG-CD1 4.36Å; A289-L293 WeakPolarHBondContact O-CB 3.43Å; A289-L293 WeakPolarHBondContact O-CG 3.49Å; A289-L293 PolarHBondContact O-N 3.32Å; R291-L293 PolarHBondContact O-N 2.94Å; L293-L295 HydrophobicContact CB-CD1 3.89Å; L293-L295 HydrophobicContact CB-CG 3.97Å; L293-L295 HydrophobicContact CD1-CD1 4.17Å
294	G	94.5	Very high	94.1	Very high	65 Å²	65	33.1 Å²	33.1	67%	0.67	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	26.2	-180	0	0	0	0	0	115.4	M290 R291	M290-G294 PolarHBondContact O-N 3.32Å; R291-G294 PolarHBondContact O-N 3.38Å; R291-G294 VanDerWaalsContact O-N 3.08Å
295	L	92.9	Very high	93.9	Very high	30 Å²	30	31.4 Å²	31.4	16%	0.157	18%	0.182	C	C	.	.			trans	-99.8	31.8	-172.9	-58.8	174.2	0	0	0	113.5	L261 M290 L293 F299	L261-L295 HydrophobicContact CB-CD1 4.41Å; M290-L295 PolarHBondContact O-N 2.86Å; L293-L295 HydrophobicContact CB-CD1 3.89Å; L293-L295 HydrophobicContact CB-CG 3.97Å; L293-L295 HydrophobicContact CD1-CD1 4.17Å; L295-F299 HydrophobicContact CD1-CE2 4.42Å
296	A	89.8	Confident	93.5	Very high	51 Å²	51	31.6 Å²	31.6	42%	0.421	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	130.8	179.6	0	0	0	0	0	111.3	E298 E320	A296-E298 VanDerWaalsContact C-N 3.28Å; A296-E298 PolarHBondContact O-N 2.78Å; A296-E320 HydrophobicContact CB-CG 4.07Å
297	G	85.4	Confident	93.1	Very high	42 Å²	42	31.5 Å²	31.5	43%	0.433	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-2.9	179.1	0	0	0	0	0	116.3	R272	R272-G297 PolarHBondContact NH2-O 3.24Å
298	E	90.4	Very high	92.5	Very high	91 Å²	91	31.7 Å²	31.7	43%	0.425	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-43	178.4	-73.9	-62.1	162.2	0	0	112.8	L268 R272 A296	L268-E298 HydrophobicContact CD1-CB 4.24Å; R272-E298 PolarHBondContact NE-O 2.78Å; R272-E298 PolarHBondContact NH2-O 3.07Å; A296-E298 VanDerWaalsContact C-N 3.28Å; A296-E298 PolarHBondContact O-N 2.78Å
299	F	92.6	Very high	91.7	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.048	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-101.4	146.8	-179.3	-63.6	-76	0	0	0	112.3	L261 L264 L268 R272 V274 L295	L261-F299 HydrophobicContact CD2-CE2 4.47Å; L264-F299 HydrophobicContact CB-CE1 4.13Å; L264-F299 HydrophobicContact CB-CZ 3.9Å; L268-F299 HydrophobicContact CD1-CE1 3.8Å; L268-F299 HydrophobicContact CD1-CE2 4.08Å; L268-F299 HydrophobicContact CD1-CZ 3.55Å; L268-F299 HydrophobicContact CD2-CD1 4.03Å; L268-F299 HydrophobicContact CD2-CE1 3.67Å; L268-F299 HydrophobicContact CD2-CZ 4.31Å; L268-F299 HydrophobicContact CG-CD1 4.47Å; L268-F299 HydrophobicContact CG-CE1 3.67Å; L268-F299 HydrophobicContact CG-CZ 3.86Å; R272-F299 WeakPolarHBondContact O-CA 3.44Å; V274-F299 HydrophobicContact CG2-CB 4.15Å; V274-F299 HydrophobicContact CG2-CD1 3.65Å; V274-F299 HydrophobicContact CG2-CE1 4.36Å; V274-F299 HydrophobicContact CG2-CG 4.13Å; L295-F299 HydrophobicContact CD1-CE2 4.42Å
300	L	94.4	Very high	91.2	Very high	9 Å²	9	32 Å²	32	5%	0.047	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.4	164	-170.6	71.1	0	0	0	108.8	W211 R272 V273 V274 G323 I507	W211-L300 HydrophobicContact CH2-CD2 3.43Å; W211-L300 VanDerWaalsContact CH2-CD2 3.43Å; W211-L300 HydrophobicContact CZ2-CD2 3.72Å; W211-L300 HydrophobicContact CZ3-CD2 4.27Å; R272-L300 PolarHBondContact O-N 3.29Å; V273-L300 CarbonylContact C-O 3.55Å; V273-L300 WeakPolarHBondContact CA-O 3.29Å; V273-L300 HydrophobicContact CG2-CB 4.21Å; V273-L300 HydrophobicContact CG2-CD2 3.99Å; V274-L300 PolarHBondContact N-O 3.02Å; L300-G323 WeakPolarHBondContact CD1-O 3.32Å; L300-I507 HydrophobicContact CB-CD1 3.86Å; L300-I507 HydrophobicContact CD1-CD1 4.12Å; L300-I507 HydrophobicContact CD2-CD1 4.37Å; L300-I507 HydrophobicContact CG-CD1 4.35Å
301	L	95.6	Very high	90.6	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127	173.5	-56.1	-176	0	0	0	109.6	V274 V283 L287 W307 G324 I325	V274-L301 HydrophobicContact CB-CD2 4.07Å; V274-L301 HydrophobicContact CG2-CD2 4.44Å; V283-L301 HydrophobicContact CG1-CD1 4.44Å; L287-L301 HydrophobicContact CD2-CD1 3.99Å; L301-W307 HydrophobicContact CB-CZ2 4.4Å; L301-G324 WeakPolarHBondContact O-CA 3.44Å; L301-I325 PolarHBondContact O-N 2.7Å
302	L	97	Very high	90	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.7	169.8	177.9	65.4	0	0	0	108.6	M202 I205 V206 V273 V274 A275 C276 I325	M202-L302 HydrophobicContact CB-CD2 4.45Å; M202-L302 HydrophobicContact CE-CD2 4.49Å; M202-L302 HydrophobicContact CE-CG 4.2Å; I205-L302 HydrophobicContact CG2-CD1 4.14Å; I205-L302 HydrophobicContact CG2-CD2 4.45Å; V206-L302 HydrophobicContact CG2-CD2 3.51Å; V273-L302 HydrophobicContact CG1-CB 4.24Å; V274-L302 PolarHBondContact O-N 2.99Å; A275-L302 CarbonylContact C-O 3.5Å; A275-L302 WeakPolarHBondContact CA-O 3.43Å; C276-L302 PolarHBondContact N-O 3.11Å; L302-I325 CarbonylContact C-O 3.43Å; L302-I325 VanDerWaalsContact CA-O 3.31Å; L302-I325 WeakPolarHBondContact CA-O 3.36Å; L302-I325 HydrophobicContact CD1-CB 3.91Å; L302-I325 HydrophobicContact CD1-CG2 3.79Å
303	G	95.4	Very high	89.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146	-168.5	0	0	0	0	0	116.3	I325 T326 I327	G303-I325 PolarHBondContact N-O 2.82Å; G303-T326 WeakPolarHBondContact O-CA 3.49Å; G303-T326 PolarHBondContact O-OG1 2.91Å; G303-I327 PolarHBondContact O-N 2.91Å; G303-I327 VanDerWaalsContact O-N 3.07Å
304	S	94.1	Very high	89.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.174	C	C	.	.			trans	-67.1	175.5	154.9	67.3	0	0	0	0	111.7	Y223 C276 C278 G306 T326	Y223-S304 WeakPolarHBondContact OH-CB 3.48Å; Y223-S304 PolarHBondContact OH-OG 2.87Å; C276-S304 PolarHBondContact O-N 3.31Å; C276-S304 VanDerWaalsContact O-N 3.08Å; C276-S304 PolarHBondContact O-OG 2.93Å; C278-S304 PolarHBondContact N-OG 2.89Å; S304-G306 PolarHBondContact O-N 2.86Å; S304-T326 PolarHBondContact O-OG1 3.35Å
305	D	90.2	Very high	89.3	Confident	10 Å²	10	29.7 Å²	29.7	5%	0.053	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-4.4	-176.5	78.5	-51.3	0	0	0	116.6	Q198 Y223 W307 I327 L329 K396	Q198-D305 PolarHBondContact NE2-OD1 2.88Å; Q198-D305 PolarHBondContact OE1-OD1 3.26Å; Y223-D305 PolarHBondContact OH-OD1 2.93Å; D305-W307 PolarHBondContact O-N 3.27Å; D305-W307 VanDerWaalsContact O-N 3.12Å; D305-I327 WeakPolarHBondContact CA-O 3.47Å; D305-I327 WeakPolarHBondContact CB-O 3.3Å; D305-I327 PolarHBondContact N-O 2.78Å; D305-L329 HydrophobicContact CB-CD1 4.15Å; D305-L329 WeakPolarHBondContact OD2-CD1 3.36Å; D305-K396 IonicContact OD2-NZ 2.75Å; D305-K396 PolarHBondContact OD2-NZ 2.87Å
306	G	85.8	Confident	89.2	Confident	14 Å²	14	29.8 Å²	29.8	14%	0.144	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.4	-178.6	0	0	0	0	0	115.4	Y223 G280 S304	Y223-G306 PolarHBondContact OH-N 3.4Å; G280-G306 WeakPolarHBondContact CA-O 3.24Å; G280-G306 PolarHBondContact N-O 3.47Å; S304-G306 PolarHBondContact O-N 2.86Å
307	W	88.3	Confident	89.4	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.163	C	C	.	.	S	Bend	trans	-139.3	11.6	175.7	73.3	-70.3	0	0	0	114.9	V283 L301 D305 V313 T314 T326 Y481	V283-W307 HydrophobicContact CB-CB 4.42Å; V283-W307 HydrophobicContact CB-CG 4.23Å; V283-W307 HydrophobicContact CG1-CB 4.48Å; V283-W307 HydrophobicContact CG1-CD2 3.95Å; V283-W307 HydrophobicContact CG1-CE3 4.38Å; V283-W307 HydrophobicContact CG1-CG 3.95Å; V283-W307 HydrophobicContact CG2-CB 4.46Å; V283-W307 HydrophobicContact CG2-CG 4.05Å; L301-W307 HydrophobicContact CB-CZ2 4.4Å; D305-W307 PolarHBondContact O-N 3.27Å; D305-W307 VanDerWaalsContact O-N 3.12Å; W307-V313 HydrophobicContact CB-CB 4.17Å; W307-V313 HydrophobicContact CB-CG1 3.86Å; W307-V313 HydrophobicContact CB-CG2 4.03Å; W307-T314 HydrophobicContact CE3-CG2 4.24Å; W307-T314 HydrophobicContact CZ3-CG2 4.2Å; W307-T326 HydrophobicContact CH2-CG2 4.32Å; W307-T326 HydrophobicContact CZ2-CG2 4.25Å; W307-Y481 HydrophobicContact CE3-CE1 4.19Å; W307-Y481 AromaticContact CZ3-CE1 3.92Å; W307-Y481 HydrophobicContact CZ3-CE1 3.92Å; W307-Y481 PolarHBondContact O-OH 2.69Å
308	A	82.5	Confident	89.7	Confident	3 Å²	3	30.2 Å²	30.2	3%	0.025	16%	0.155	C	C	.	.	S	Bend	trans	-62.4	142.6	166.1	0	0	0	0	0	109.9	R310 T326 I327 K328	A308-R310 PolarHBondContact O-N 3.12Å; A308-T326 HydrophobicContact CB-CG2 4Å; A308-I327 WeakPolarHBondContact CB-O 3.24Å; A308-K328 HydrophobicContact CB-CB 3.76Å; A308-K328 HydrophobicContact CB-CG 3.97Å
309	D	79.9	Confident	89.8	Confident	40 Å²	40	33 Å²	33	21%	0.214	16%	0.162	C	C	.	.	S	Bend	trans	53.1	-6.2	-175	70.1	64.5	0	0	0	117.9	Y311 K328 S395	D309-Y311 WeakPolarHBondContact O-CD2 3.22Å; D309-Y311 VanDerWaalsContact O-CE2 3.23Å; D309-Y311 WeakPolarHBondContact O-CE2 3.17Å; D309-Y311 PolarHBondContact O-N 2.96Å; D309-K328 HydrophobicContact CB-CD 4.28Å; D309-K328 VanDerWaalsContact OD2-CD 3.3Å; D309-K328 WeakPolarHBondContact OD2-CD 3.5Å; D309-S395 VanDerWaalsContact CG-OG 3.28Å; D309-S395 PolarHBondContact OD1-OG 3.42Å; D309-S395 WeakPolarHBondContact OD2-CB 3.46Å; D309-S395 PolarHBondContact OD2-OG 3.26Å
310	R	84.2	Confident	89.9	Confident	30 Å²	30	33.4 Å²	33.4	11%	0.113	16%	0.164	C	C	.	.			trans	-84.7	82.1	-173.8	-78.6	-165.8	61.2	-155.7	-1.4	113.3	A308 D312 V313	A308-R310 PolarHBondContact O-N 3.12Å; R310-D312 IonicContact CZ-OD1 3.68Å; R310-D312 VanDerWaalsContact CZ-OD1 3.29Å; R310-D312 IonicContact CZ-OD2 2.67Å; R310-D312 IonicContact NE-OD1 3.33Å; R310-D312 PolarHBondContact NE-OD1 2.71Å; R310-D312 IonicContact NE-OD2 3.08Å; R310-D312 IonicContact NH2-OD1 2.72Å; R310-D312 PolarHBondContact NH2-OD1 3.38Å; R310-D312 IonicContact NH2-OD2 2.77Å; R310-D312 PolarHBondContact NH2-OD2 3.42Å; R310-D312 PolarHBondContact O-N 2.96Å; R310-D312 VanDerWaalsContact O-N 3.07Å; R310-V313 HydrophobicContact CB-CB 4.43Å; R310-V313 HydrophobicContact CB-CG2 3.86Å; R310-V313 WeakPolarHBondContact O-CB 3.38Å; R310-V313 PolarHBondContact O-N 3.42Å
311	Y	83.7	Confident	89.9	Confident	105 Å²	105	33.1 Å²	33.1	41%	0.412	16%	0.163	S	C	.	.	H	α-helix	trans	-49.8	-33.2	171.6	-58.4	-83	0	0	0	113.3	D309 V313 T314 D315 D480 Y481	D309-Y311 WeakPolarHBondContact O-CD2 3.22Å; D309-Y311 VanDerWaalsContact O-CE2 3.23Å; D309-Y311 WeakPolarHBondContact O-CE2 3.17Å; D309-Y311 PolarHBondContact O-N 2.96Å; Y311-V313 PolarHBondContact O-N 2.94Å; Y311-T314 WeakPolarHBondContact CA-OG1 3.29Å; Y311-T314 CarbonylContact O-C 3.56Å; Y311-T314 PolarHBondContact O-N 2.64Å; Y311-T314 VanDerWaalsContact O-N 3.14Å; Y311-T314 PolarHBondContact O-OG1 3.24Å; Y311-D315 WeakPolarHBondContact O-CA 3.49Å; Y311-D315 VanDerWaalsContact O-CB 3.3Å; Y311-D315 WeakPolarHBondContact O-CB 3.4Å; Y311-D315 PolarHBondContact O-N 2.56Å; Y311-D480 PolarHBondContact OH-OD1 2.91Å; Y311-D480 VanDerWaalsContact OH-OD1 3.11Å; Y311-Y481 HydrophobicContact CD1-CD2 4.05Å; Y311-Y481 HydrophobicContact CD1-CE2 4.18Å; Y311-Y481 AromaticContact CE1-CD2 3.64Å; Y311-Y481 HydrophobicContact CE1-CD2 3.64Å; Y311-Y481 HydrophobicContact CE1-CE2 4.24Å; Y311-Y481 HydrophobicContact CE2-CD2 4.39Å; Y311-Y481 HydrophobicContact CG-CE2 4.49Å; Y311-Y481 AromaticContact CZ-CD2 3.8Å
312	D	82.6	Confident	89.7	Confident	78 Å²	78	35.5 Å²	35.5	42%	0.417	18%	0.177	S	C	.	.	H	α-helix	trans	-68.1	-18.3	179.1	79.1	-43.5	0	0	0	114.2	R284 R310	R284-D312 PolarHBondContact NH1-O 2.88Å; R284-D312 VanDerWaalsContact NH1-O 3.11Å; R310-D312 IonicContact CZ-OD1 3.68Å; R310-D312 VanDerWaalsContact CZ-OD1 3.29Å; R310-D312 IonicContact CZ-OD2 2.67Å; R310-D312 IonicContact NE-OD1 3.33Å; R310-D312 PolarHBondContact NE-OD1 2.71Å; R310-D312 IonicContact NE-OD2 3.08Å; R310-D312 IonicContact NH2-OD1 2.72Å; R310-D312 PolarHBondContact NH2-OD1 3.38Å; R310-D312 IonicContact NH2-OD2 2.77Å; R310-D312 PolarHBondContact NH2-OD2 3.42Å; R310-D312 PolarHBondContact O-N 2.96Å; R310-D312 VanDerWaalsContact O-N 3.07Å
313	V	89.5	Confident	89.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-75.1	-46.2	169.4	173.9	0	0	0	0	110.4	G280 V283 R284 W307 R310 Y311	G280-V313 WeakPolarHBondContact O-CG1 3.33Å; V283-V313 HydrophobicContact CB-CG1 3.98Å; V283-V313 HydrophobicContact CG1-CG1 3.96Å; R284-V313 HydrophobicContact CB-CG1 4.2Å; R284-V313 WeakPolarHBondContact CG-O 3.36Å; R284-V313 PolarHBondContact NH1-O 3.23Å; W307-V313 HydrophobicContact CB-CB 4.17Å; W307-V313 HydrophobicContact CB-CG1 3.86Å; W307-V313 HydrophobicContact CB-CG2 4.03Å; R310-V313 HydrophobicContact CB-CB 4.43Å; R310-V313 HydrophobicContact CB-CG2 3.86Å; R310-V313 WeakPolarHBondContact O-CB 3.38Å; R310-V313 PolarHBondContact O-N 3.42Å; Y311-V313 PolarHBondContact O-N 2.94Å
314	T	91.4	Very high	89.3	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-82.8	-15.1	-178.7	48.9	0	0	0	0	114.5	L287 W307 Y311 G316 Y317 Q318 A321 F471 Y481	L287-T314 HydrophobicContact CD1-CG2 4.5Å; W307-T314 HydrophobicContact CE3-CG2 4.24Å; W307-T314 HydrophobicContact CZ3-CG2 4.2Å; Y311-T314 WeakPolarHBondContact CA-OG1 3.29Å; Y311-T314 CarbonylContact O-C 3.56Å; Y311-T314 PolarHBondContact O-N 2.64Å; Y311-T314 VanDerWaalsContact O-N 3.14Å; Y311-T314 PolarHBondContact O-OG1 3.24Å; T314-G316 PolarHBondContact O-N 2.04Å; T314-Y317 CarbonylContact O-C 3.5Å; T314-Y317 VanDerWaalsContact O-C 3.28Å; T314-Y317 WeakPolarHBondContact O-CA 3.35Å; T314-Y317 PolarHBondContact O-N 3.16Å; T314-Q318 PolarHBondContact O-N 3.18Å; T314-A321 HydrophobicContact CG2-CB 3.84Å; T314-F471 HydrophobicContact CG2-CD2 4.23Å; T314-F471 HydrophobicContact CG2-CE1 4.36Å; T314-F471 HydrophobicContact CG2-CE2 4.02Å; T314-F471 HydrophobicContact CG2-CG 4.48Å; T314-F471 HydrophobicContact CG2-CZ 4.09Å; T314-Y481 WeakPolarHBondContact CG2-OH 3.45Å
315	D	89.1	Confident	89.4	Confident	94 Å²	94	36.8 Å²	36.8	50%	0.503	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	130.4	-169.5	179.8	42.5	0	0	0	112.2	R284 Y311 Y317 Q318	R284-D315 VanDerWaalsContact CZ-O 3.31Å; R284-D315 PolarHBondContact NH1-O 3.09Å; R284-D315 PolarHBondContact NH2-O 3.09Å; Y311-D315 WeakPolarHBondContact O-CA 3.49Å; Y311-D315 VanDerWaalsContact O-CB 3.3Å; Y311-D315 WeakPolarHBondContact O-CB 3.4Å; Y311-D315 PolarHBondContact O-N 2.56Å; D315-Y317 VanDerWaalsContact O-CD2 3.3Å; D315-Y317 WeakPolarHBondContact O-CD2 3.36Å; D315-Y317 PolarHBondContact O-N 3.22Å; D315-Q318 PolarHBondContact OD1-NE2 2.83Å
316	G	90.6	Very high	89.7	Confident	32 Å²	32	36.3 Å²	36.3	33%	0.33	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-10.5	-168.6	0	0	0	0	0	114.8	R291 T314	R291-G316 PolarHBondContact NH1-O 2.83Å; R291-G316 PolarHBondContact NH2-O 2.91Å; T314-G316 PolarHBondContact O-N 2.04Å
317	Y	94.6	Very high	90.1	Very high	47 Å²	47	35.7 Å²	35.7	18%	0.184	18%	0.182	C	C	.	.			trans	-124.5	26.9	-176.4	-56.6	-83.1	0	0	0	113.5	L287 M288 R291 T314 D315 R319 E320 A321	L287-Y317 HydrophobicContact CB-CG 4.34Å; M288-Y317 HydrophobicContact CB-CE1 4.36Å; M288-Y317 HydrophobicContact CE-CE2 3.75Å; M288-Y317 HydrophobicContact CG-CD1 4.44Å; M288-Y317 HydrophobicContact CG-CD2 4.44Å; M288-Y317 HydrophobicContact CG-CE1 3.78Å; M288-Y317 HydrophobicContact CG-CE2 3.8Å; M288-Y317 VanDerWaalsContact CG-CZ 3.44Å; R291-Y317 HydrophobicContact CB-CD1 4.34Å; R291-Y317 HydrophobicContact CB-CE1 4.42Å; T314-Y317 CarbonylContact O-C 3.5Å; T314-Y317 VanDerWaalsContact O-C 3.28Å; T314-Y317 WeakPolarHBondContact O-CA 3.35Å; T314-Y317 PolarHBondContact O-N 3.16Å; D315-Y317 VanDerWaalsContact O-CD2 3.3Å; D315-Y317 WeakPolarHBondContact O-CD2 3.36Å; D315-Y317 PolarHBondContact O-N 3.22Å; Y317-R319 VanDerWaalsContact C-N 3.32Å; Y317-R319 PolarHBondContact O-N 3.39Å; Y317-E320 WeakPolarHBondContact CA-OE2 3.34Å; Y317-E320 PolarHBondContact O-N 3.34Å; Y317-A321 PolarHBondContact O-N 3.26Å
318	Q	92.7	Very high	90.2	Very high	56 Å²	56	37.1 Å²	37.1	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-61.8	-38.4	-174	-58.4	88.1	-16.1	0	0	112.5	T314 D315 E320 A321 V322 F471 F479	T314-Q318 PolarHBondContact O-N 3.18Å; D315-Q318 PolarHBondContact OD1-NE2 2.83Å; Q318-E320 VanDerWaalsContact C-N 3.28Å; Q318-E320 PolarHBondContact O-N 2.71Å; Q318-A321 PolarHBondContact O-N 3.21Å; Q318-V322 PolarHBondContact O-N 2.66Å; Q318-F471 HydrophobicContact CB-CE1 3.94Å; Q318-F471 HydrophobicContact CB-CZ 3.93Å; Q318-F471 HydrophobicContact CG-CE1 4.42Å; Q318-F471 HydrophobicContact CG-CZ 3.9Å; Q318-F479 HydrophobicContact CB-CB 4Å; Q318-F479 HydrophobicContact CB-CD1 4.36Å; Q318-F479 HydrophobicContact CB-CD2 3.63Å; Q318-F479 HydrophobicContact CB-CE2 4.18Å; Q318-F479 HydrophobicContact CB-CG 3.75Å; Q318-F479 HydrophobicContact CG-CB 4.32Å; Q318-F479 HydrophobicContact CG-CD2 4.37Å
319	R	92.2	Very high	90.5	Very high	150 Å²	150	37.3 Å²	37.3	57%	0.566	19%	0.188	S	C	*	.	H	α-helix	trans	-68	-25.2	179.4	-67.3	-177.1	176.3	-173.4	-0.1	113.5	Y317 V322 D477 F479	Y317-R319 VanDerWaalsContact C-N 3.32Å; Y317-R319 PolarHBondContact O-N 3.39Å; R319-V322 WeakPolarHBondContact O-CG1 3.28Å; R319-D477 IonicContact CZ-OD1 3.38Å; R319-D477 IonicContact NE-OD1 2.73Å; R319-D477 IonicContact NH2-OD1 3.18Å; R319-D477 PolarHBondContact NH2-OD1 2.96Å; R319-F479 HydrophobicContact CG-CE2 4.27Å; R319-F479 HydrophobicContact CG-CZ 3.99Å
320	E	94.1	Very high	90.9	Very high	19 Å²	19	38.5 Å²	38.5	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-84	-24	175.1	-67.6	75.7	-174.2	0	0	112.5	L287 M290 R291 A296 Y317 Q318	L287-E320 HydrophobicContact CD2-CB 3.93Å; M290-E320 HydrophobicContact CB-CB 4.4Å; M290-E320 HydrophobicContact CB-CG 4.29Å; M290-E320 WeakPolarHBondContact CE-O 3.35Å; R291-E320 HydrophobicContact CB-CG 4.13Å; R291-E320 WeakPolarHBondContact CB-OE1 3.37Å; R291-E320 IonicContact CZ-OE1 2.89Å; R291-E320 IonicContact CZ-OE2 2.69Å; R291-E320 IonicContact NE-OE1 3.48Å; R291-E320 PolarHBondContact NE-OE1 3.48Å; R291-E320 IonicContact NE-OE2 3.7Å; R291-E320 VanDerWaalsContact NH2-CD 3.33Å; R291-E320 IonicContact NH2-OE1 3.57Å; R291-E320 PolarHBondContact NH2-OE1 3.27Å; R291-E320 IonicContact NH2-OE2 3.48Å; R291-E320 PolarHBondContact NH2-OE2 2.96Å; A296-E320 HydrophobicContact CB-CG 4.07Å; Y317-E320 WeakPolarHBondContact CA-OE2 3.34Å; Y317-E320 PolarHBondContact O-N 3.34Å; Q318-E320 VanDerWaalsContact C-N 3.28Å; Q318-E320 PolarHBondContact O-N 2.71Å
321	A	93.9	Very high	90.8	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-92.7	-8.3	-177.8	0	0	0	0	0	114.5	L287 T314 Y317 Q318 G324 F471	L287-A321 HydrophobicContact CD1-CB 3.99Å; L287-A321 HydrophobicContact CD2-CB 3.81Å; T314-A321 HydrophobicContact CG2-CB 3.84Å; Y317-A321 PolarHBondContact O-N 3.26Å; Q318-A321 PolarHBondContact O-N 3.21Å; A321-G324 PolarHBondContact O-N 3.41Å; A321-F471 HydrophobicContact CB-CD1 3.8Å; A321-F471 HydrophobicContact CB-CE1 3.95Å
322	V	92.1	Very high	90.9	Very high	59 Å²	59	35.5 Å²	35.5	36%	0.358	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.3	-171.9	69.4	0	0	0	0	113.2	Q318 R319 G324 F471 F479	Q318-V322 PolarHBondContact O-N 2.66Å; R319-V322 WeakPolarHBondContact O-CG1 3.28Å; V322-G324 PolarHBondContact O-N 2.87Å; V322-F471 CarbonylContact C-O 3.54Å; V322-F479 HydrophobicContact CB-CD1 4.37Å; V322-F479 HydrophobicContact CB-CE1 4.03Å; V322-F479 HydrophobicContact CG2-CD1 4.14Å; V322-F479 HydrophobicContact CG2-CE1 3.84Å
323	G	90.5	Very high	91.2	Very high	25 Å²	25	37.6 Å²	37.6	26%	0.258	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	-4.1	-173.9	0	0	0	0	0	114.3	L300 I325 N470 F471	L300-G323 WeakPolarHBondContact CD1-O 3.32Å; G323-I325 PolarHBondContact O-N 3.14Å; G323-N470 PolarHBondContact O-OD1 3.05Å; G323-F471 PolarHBondContact N-O 3.47Å
324	G	94.1	Very high	91.3	Very high	3 Å²	3	38 Å²	38	3%	0.031	20%	0.204	C	C	.	.			trans	-63	127.6	179.5	0	0	0	0	0	112.3	L301 A321 V322 F471	L301-G324 WeakPolarHBondContact O-CA 3.44Å; A321-G324 PolarHBondContact O-N 3.41Å; V322-G324 PolarHBondContact O-N 2.87Å; G324-F471 PolarHBondContact O-N 3.03Å
325	I	95.9	Very high	91.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.6	179.4	-57.6	176.1	0	0	0	108.4	W211 L301 L302 G303 G323 I468 M469 V499	W211-I325 HydrophobicContact CH2-CD1 4.5Å; L301-I325 PolarHBondContact O-N 2.7Å; L302-I325 CarbonylContact C-O 3.43Å; L302-I325 VanDerWaalsContact CA-O 3.31Å; L302-I325 WeakPolarHBondContact CA-O 3.36Å; L302-I325 HydrophobicContact CD1-CB 3.91Å; L302-I325 HydrophobicContact CD1-CG2 3.79Å; G303-I325 PolarHBondContact N-O 2.82Å; G323-I325 PolarHBondContact O-N 3.14Å; I325-I468 HydrophobicContact CG2-CG2 3.79Å; I325-M469 CarbonylContact C-O 3.48Å; I325-M469 WeakPolarHBondContact CA-O 3.31Å; I325-V499 HydrophobicContact CD1-CG1 4.25Å
326	T	96	Very high	91.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	143.4	178.8	179.9	0	0	0	0	111.5	G303 S304 W307 A308 M469 Y481	G303-T326 WeakPolarHBondContact O-CA 3.49Å; G303-T326 PolarHBondContact O-OG1 2.91Å; S304-T326 PolarHBondContact O-OG1 3.35Å; W307-T326 HydrophobicContact CH2-CG2 4.32Å; W307-T326 HydrophobicContact CZ2-CG2 4.25Å; A308-T326 HydrophobicContact CB-CG2 4Å; T326-M469 HydrophobicContact CG2-CB 4.04Å; T326-M469 PolarHBondContact N-O 3.23Å; T326-M469 PolarHBondContact O-N 2.88Å; T326-Y481 HydrophobicContact CG2-CD1 4.29Å; T326-Y481 HydrophobicContact CG2-CE1 3.94Å
327	I	94.3	Very high	91.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.3	177.2	59.7	174	0	0	0	110.7	Q198 M202 I205 G303 D305 A308 I468	Q198-I327 HydrophobicContact CB-CD1 3.65Å; Q198-I327 HydrophobicContact CG-CD1 3.81Å; M202-I327 HydrophobicContact CG-CD1 3.97Å; M202-I327 HydrophobicContact SD-CD1 4.18Å; I205-I327 HydrophobicContact CD1-CG2 3.93Å; G303-I327 PolarHBondContact O-N 2.91Å; G303-I327 VanDerWaalsContact O-N 3.07Å; D305-I327 WeakPolarHBondContact CA-O 3.47Å; D305-I327 WeakPolarHBondContact CB-O 3.3Å; D305-I327 PolarHBondContact N-O 2.78Å; A308-I327 WeakPolarHBondContact CB-O 3.24Å; I327-I468 HydrophobicContact CG2-CG1 4.27Å
328	K	90.1	Very high	91.6	Very high	32 Å²	32	41.6 Å²	41.6	14%	0.139	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.5	175.2	-164	-169.2	62.6	175.6	0	108.6	A308 D309 Q330 Y466 E467 M469	A308-K328 HydrophobicContact CB-CB 3.76Å; A308-K328 HydrophobicContact CB-CG 3.97Å; D309-K328 HydrophobicContact CB-CD 4.28Å; D309-K328 VanDerWaalsContact OD2-CD 3.3Å; D309-K328 WeakPolarHBondContact OD2-CD 3.5Å; K328-Q330 PolarHBondContact O-N 3.39Å; K328-Y466 CarbonylContact O-C 3.59Å; K328-Y466 WeakPolarHBondContact O-CA 3.42Å; K328-Y466 WeakPolarHBondContact O-CB 3.35Å; K328-E467 WeakPolarHBondContact CE-OE2 3.25Å; K328-E467 PolarHBondContact N-O 2.83Å; K328-E467 IonicContact NZ-OE2 3.72Å; K328-E467 PolarHBondContact NZ-OE2 2.65Å; K328-E467 PolarHBondContact O-N 2.95Å; K328-M469 HydrophobicContact CB-CG 4.11Å
329	L	88.5	Confident	91.7	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.4	165.7	-66.8	119	0	0	0	109.5	V192 P193 D305 S331 F399 Y466	V192-L329 HydrophobicContact CB-CD2 4.11Å; V192-L329 HydrophobicContact CG1-CD2 4.18Å; P193-L329 HydrophobicContact CG-CD2 3.67Å; D305-L329 HydrophobicContact CB-CD1 4.15Å; D305-L329 WeakPolarHBondContact OD2-CD1 3.36Å; L329-S331 PolarHBondContact O-N 2.82Å; L329-F399 HydrophobicContact CB-CE2 3.64Å; L329-F399 HydrophobicContact CB-CZ 3.8Å; L329-F399 HydrophobicContact CD2-CE2 4.47Å; L329-F399 HydrophobicContact CD2-CZ 4.35Å; L329-Y466 HydrophobicContact CD2-CE1 4.15Å; L329-Y466 HydrophobicContact CG-CD1 4.32Å; L329-Y466 HydrophobicContact CG-CE1 4.12Å
330	Q	87.8	Confident	91.9	Very high	66 Å²	66	38 Å²	38	31%	0.308	20%	0.198	S	C	.	.			trans	-69.1	117.2	178.5	179	157	60.1	0	0	110.7	K328 F399 R465 E467	K328-Q330 PolarHBondContact O-N 3.39Å; Q330-F399 VanDerWaalsContact O-CZ 3.29Å; Q330-F399 WeakPolarHBondContact O-CZ 3.35Å; Q330-R465 HydrophobicContact CB-CB 4.02Å; Q330-R465 PolarHBondContact N-O 2.98Å; Q330-E467 HydrophobicContact CB-CG 4.13Å; Q330-E467 HydrophobicContact CG-CG 4.19Å; Q330-E467 PolarHBondContact NE2-OE1 3.31Å
331	S	83.9	Confident	91.9	Very high	12 Å²	12	37 Å²	37	8%	0.084	19%	0.194	C	C	.	.			trans	-155.6	120	-175.9	-179.3	0	0	0	0	109.3	L329 S395	L329-S331 PolarHBondContact O-N 2.82Å; S331-S395 WeakPolarHBondContact CB-O 3.23Å; S331-S395 PolarHBondContact OG-O 3.39Å
332	P	85.7	Confident	91.9	Very high	59 Å²	59	38.8 Å²	38.8	38%	0.383	20%	0.202	S	C	.	.			trans	-93.3	155.5	-177.8	35.1	-33.1	0	0	0	113.1	V334 S450	P332-V334 PolarHBondContact O-N 2.04Å; P332-S450 VanDerWaalsContact CD-OG 3.31Å; P332-S450 WeakPolarHBondContact CD-OG 3.38Å
333	D	88	Confident	92	Very high	123 Å²	123	42.8 Å²	42.8	66%	0.658	22%	0.215	S	C	*	.			trans	-62.8	128.6	-179.7	-61.3	-23.9	0	0	0	113	K335	D333-K335 PolarHBondContact O-N 2.98Å
334	V	92.5	Very high	92.2	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.042	21%	0.207	C	C	.	.			trans	-92.4	81	-173.8	-171.8	0	0	0	0	110.7	P332 W336 F337 D338 Q393 I401 V449	P332-V334 PolarHBondContact O-N 2.04Å; V334-W336 VanDerWaalsContact C-N 3.26Å; V334-W336 HydrophobicContact CG1-CD2 3.92Å; V334-W336 HydrophobicContact CG1-CG 4.2Å; V334-W336 HydrophobicContact CG1-CH2 4.45Å; V334-W336 HydrophobicContact CG1-CZ2 3.72Å; V334-W336 PolarHBondContact O-N 3.27Å; V334-F337 HydrophobicContact CB-CB 4.26Å; V334-F337 HydrophobicContact CG1-CB 4.09Å; V334-F337 WeakPolarHBondContact O-CA 3.49Å; V334-F337 WeakPolarHBondContact O-CB 3.12Å; V334-F337 PolarHBondContact O-N 2.72Å; V334-D338 PolarHBondContact O-N 2.65Å; V334-Q393 PolarHBondContact O-NE2 2.84Å; V334-I401 HydrophobicContact CB-CD1 4.37Å; V334-I401 HydrophobicContact CG1-CD1 3.89Å; V334-I401 HydrophobicContact CG2-CD1 4.08Å; V334-V449 HydrophobicContact CG2-CG2 4.27Å
335	K	91.8	Very high	92.1	Very high	168 Å²	168	45.6 Å²	45.6	73%	0.73	22%	0.218	S	C	*	.	H	α-helix	trans	-48.5	-38.6	-174	-64	-178.3	179.9	177.4	0	115.6	D333 F337 D338 D339	D333-K335 PolarHBondContact O-N 2.98Å; K335-F337 VanDerWaalsContact C-N 3.29Å; K335-F337 PolarHBondContact O-N 2.97Å; K335-D338 PolarHBondContact O-N 2.99Å; K335-D339 PolarHBondContact O-N 2.79Å
336	W	92.9	Very high	91.9	Very high	57 Å²	57	45.7 Å²	45.7	22%	0.216	22%	0.219	C	C	.	.	H	α-helix	trans	-71.1	-24.1	179.4	62.4	-102.7	0	0	0	113	H74 V334 Y340 I401	H74-W336 AromaticContact CD2-CE3 3.71Å; H74-W336 AromaticContact CD2-CZ3 3.68Å; V334-W336 VanDerWaalsContact C-N 3.26Å; V334-W336 HydrophobicContact CG1-CD2 3.92Å; V334-W336 HydrophobicContact CG1-CG 4.2Å; V334-W336 HydrophobicContact CG1-CH2 4.45Å; V334-W336 HydrophobicContact CG1-CZ2 3.72Å; V334-W336 PolarHBondContact O-N 3.27Å; W336-Y340 WeakPolarHBondContact O-CB 3.31Å; W336-Y340 PolarHBondContact O-N 3.05Å; W336-I401 HydrophobicContact CH2-CD1 3.84Å; W336-I401 HydrophobicContact CH2-CG1 4.3Å; W336-I401 HydrophobicContact CH2-CG2 4.34Å; W336-I401 HydrophobicContact CZ2-CD1 3.84Å; W336-I401 HydrophobicContact CZ2-CG1 4.5Å; W336-I401 HydrophobicContact CZ2-CG2 4.04Å
337	F	94.4	Very high	91.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-73	-41.6	169.7	175.1	-101	0	0	0	110.8	Q67 E70 A71 V334 K335 D339 Y340 Y341 Q393 M397	Q67-F337 HydrophobicContact CB-CE1 4.31Å; Q67-F337 HydrophobicContact CB-CZ 4.06Å; Q67-F337 WeakPolarHBondContact O-CZ 3.18Å; E70-F337 HydrophobicContact CB-CE2 4.03Å; E70-F337 HydrophobicContact CB-CZ 4.36Å; A71-F337 HydrophobicContact CB-CD2 3.75Å; A71-F337 HydrophobicContact CB-CE2 3.63Å; A71-F337 HydrophobicContact CB-CZ 4.32Å; V334-F337 HydrophobicContact CB-CB 4.26Å; V334-F337 HydrophobicContact CG1-CB 4.09Å; V334-F337 WeakPolarHBondContact O-CA 3.49Å; V334-F337 WeakPolarHBondContact O-CB 3.12Å; V334-F337 PolarHBondContact O-N 2.72Å; K335-F337 VanDerWaalsContact C-N 3.29Å; K335-F337 PolarHBondContact O-N 2.97Å; F337-D339 VanDerWaalsContact C-N 3.34Å; F337-D339 PolarHBondContact O-N 2.86Å; F337-Y340 HydrophobicContact CD2-CD1 4.19Å; F337-Y340 HydrophobicContact CE2-CD1 4.2Å; F337-Y340 CarbonylContact O-C 3.57Å; F337-Y340 PolarHBondContact O-N 3.18Å; F337-Y340 VanDerWaalsContact O-N 3.1Å; F337-Y341 HydrophobicContact CE1-CD1 4.48Å; F337-Y341 HydrophobicContact CE1-CD2 4.24Å; F337-Y341 AromaticContact CE1-CG 3.95Å; F337-Y341 HydrophobicContact CE1-CG 3.95Å; F337-Y341 HydrophobicContact CE2-CD2 4.25Å; F337-Y341 HydrophobicContact CE2-CG 4.48Å; F337-Y341 AromaticContact CZ-CD2 3.58Å; F337-Y341 HydrophobicContact CZ-CD2 3.58Å; F337-Y341 HydrophobicContact CZ-CE2 4.36Å; F337-Y341 AromaticContact CZ-CG 3.74Å; F337-Y341 HydrophobicContact CZ-CG 3.74Å; F337-Y341 VanDerWaalsContact O-CB 3.26Å; F337-Y341 WeakPolarHBondContact O-CB 3.43Å; F337-Y341 PolarHBondContact O-N 2.77Å; F337-Q393 HydrophobicContact CD1-CG 4.5Å; F337-M397 HydrophobicContact CD1-CE 4.47Å; F337-M397 HydrophobicContact CE1-CE 3.96Å; F337-M397 HydrophobicContact CZ-CE 4.04Å
338	D	92.5	Very high	91.5	Very high	28 Å²	28	54.6 Å²	54.6	15%	0.15	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-44.2	175.5	-56.5	-55.7	0	0	0	111.4	V334 K335 Y340 Y341 L342 H391 Q393	V334-D338 PolarHBondContact O-N 2.65Å; K335-D338 PolarHBondContact O-N 2.99Å; D338-Y340 PolarHBondContact O-N 2.96Å; D338-Y341 PolarHBondContact O-N 3.04Å; D338-L342 HydrophobicContact CB-CD1 4.2Å; D338-L342 WeakPolarHBondContact O-CB 3.39Å; D338-L342 WeakPolarHBondContact O-CG 3.05Å; D338-L342 PolarHBondContact O-N 2.74Å; D338-H391 IonicContact OD1-CD2 3.52Å; D338-H391 IonicContact OD1-CE1 2.72Å; D338-H391 IonicContact OD1-NE2 2.75Å; D338-H391 PolarHBondContact OD1-NE2 2.92Å; D338-Q393 PolarHBondContact OD1-NE2 2.66Å; D338-Q393 PolarHBondContact OD2-NE2 2.68Å
339	D	94.5	Very high	91.6	Very high	100 Å²	100	53.4 Å²	53.4	54%	0.535	26%	0.262	S	S	.	.	H	α-helix	trans	-56.7	-34.8	173.5	-108	-48.6	0	0	0	112.5	K335 F337 K343	K335-D339 PolarHBondContact O-N 2.79Å; F337-D339 VanDerWaalsContact C-N 3.34Å; F337-D339 PolarHBondContact O-N 2.86Å; D339-K343 WeakPolarHBondContact O-CD 3.24Å; D339-K343 WeakPolarHBondContact O-CE 3.09Å; D339-K343 VanDerWaalsContact O-CG 3.27Å; D339-K343 WeakPolarHBondContact O-CG 3.33Å; D339-K343 PolarHBondContact O-NZ 2.8Å; D339-K343 IonicContact OD1-NZ 3.45Å; D339-K343 PolarHBondContact OD1-NZ 3.21Å
340	Y	95.5	Very high	91.6	Very high	29 Å²	29	60.2 Å²	60.2	11%	0.114	29%	0.293	C	S	.	.	H	α-helix	trans	-78.3	-56.9	175.7	164	-99.6	0	0	0	111.8	E70 H74 W336 F337 D338 L342 K343 L344 R351	E70-Y340 HydrophobicContact CB-CE1 4.12Å; E70-Y340 PolarHBondContact OE2-OH 3.28Å; H74-Y340 HydrophobicContact CB-CD1 3.81Å; H74-Y340 HydrophobicContact CB-CD2 4.17Å; H74-Y340 HydrophobicContact CB-CE1 3.72Å; H74-Y340 HydrophobicContact CB-CE2 4.09Å; H74-Y340 HydrophobicContact CB-CG 4.05Å; H74-Y340 AromaticContact CD2-CD1 3.98Å; H74-Y340 AromaticContact CD2-CD2 3.79Å; H74-Y340 AromaticContact CD2-CG 3.48Å; H74-Y340 VanDerWaalsContact CD2-CG 3.48Å; H74-Y340 AromaticContact CE1-CD2 3.8Å; H74-Y340 AromaticContact CG-CD1 3.88Å; H74-Y340 AromaticContact CG-CD2 3.57Å; H74-Y340 AromaticContact CG-CE2 3.88Å; H74-Y340 AromaticContact CG-CG 3.59Å; H74-Y340 AromaticContact ND1-CD2 3.56Å; H74-Y340 AromaticContact ND1-CE2 3.79Å; H74-Y340 AromaticContact NE2-CD2 3.96Å; H74-Y340 AromaticContact NE2-CG 3.96Å; W336-Y340 WeakPolarHBondContact O-CB 3.31Å; W336-Y340 PolarHBondContact O-N 3.05Å; F337-Y340 HydrophobicContact CD2-CD1 4.19Å; F337-Y340 HydrophobicContact CE2-CD1 4.2Å; F337-Y340 CarbonylContact O-C 3.57Å; F337-Y340 PolarHBondContact O-N 3.18Å; F337-Y340 VanDerWaalsContact O-N 3.1Å; D338-Y340 PolarHBondContact O-N 2.96Å; Y340-L342 PolarHBondContact O-N 2.66Å; Y340-K343 WeakPolarHBondContact O-CB 3.27Å; Y340-K343 PolarHBondContact O-N 2.87Å; Y340-L344 HydrophobicContact CE1-CD1 3.9Å; Y340-L344 HydrophobicContact CE1-CD2 4.32Å; Y340-L344 HydrophobicContact CE1-CG 4.39Å; Y340-L344 HydrophobicContact CE2-CD2 4.02Å; Y340-R351 PolarHBondContact OH-NH2 2.76Å
341	Y	95.1	Very high	91.8	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-40.8	-172	-174.4	-104.8	0	0	0	112.4	Q67 E70 F337 D338 K343 L344 F358 L387 H391	Q67-Y341 HydrophobicContact CG-CE1 4.24Å; Q67-Y341 HydrophobicContact CG-CE2 4.08Å; E70-Y341 HydrophobicContact CB-CD2 4.19Å; E70-Y341 HydrophobicContact CB-CE2 4.48Å; E70-Y341 HydrophobicContact CG-CD2 4.28Å; E70-Y341 HydrophobicContact CG-CE2 4.26Å; F337-Y341 HydrophobicContact CE1-CD1 4.48Å; F337-Y341 HydrophobicContact CE1-CD2 4.24Å; F337-Y341 AromaticContact CE1-CG 3.95Å; F337-Y341 HydrophobicContact CE1-CG 3.95Å; F337-Y341 HydrophobicContact CE2-CD2 4.25Å; F337-Y341 HydrophobicContact CE2-CG 4.48Å; F337-Y341 AromaticContact CZ-CD2 3.58Å; F337-Y341 HydrophobicContact CZ-CD2 3.58Å; F337-Y341 HydrophobicContact CZ-CE2 4.36Å; F337-Y341 AromaticContact CZ-CG 3.74Å; F337-Y341 HydrophobicContact CZ-CG 3.74Å; F337-Y341 VanDerWaalsContact O-CB 3.26Å; F337-Y341 WeakPolarHBondContact O-CB 3.43Å; F337-Y341 PolarHBondContact O-N 2.77Å; D338-Y341 PolarHBondContact O-N 3.04Å; Y341-K343 PolarHBondContact O-N 3.42Å; Y341-K343 VanDerWaalsContact O-N 3.16Å; Y341-L344 HydrophobicContact CD2-CD1 3.8Å; Y341-L344 HydrophobicContact CE2-CD1 4.38Å; Y341-L344 WeakPolarHBondContact O-CB 3.19Å; Y341-L344 PolarHBondContact O-N 3.5Å; Y341-L344 VanDerWaalsContact O-N 3.08Å; Y341-F358 WeakPolarHBondContact OH-CE1 3.41Å; Y341-F358 WeakPolarHBondContact OH-CZ 3.05Å; Y341-L387 HydrophobicContact CD1-CD1 4.41Å; Y341-L387 HydrophobicContact CE1-CB 4.47Å; Y341-L387 HydrophobicContact CE1-CD1 4.09Å; Y341-L387 WeakPolarHBondContact O-CD1 3.03Å; Y341-H391 AromaticContact CD1-CE1 3.75Å
342	L	94.1	Very high	92.3	Very high	40 Å²	40	60.6 Å²	60.6	21%	0.209	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.1	179.7	-60.8	174.9	0	0	0	114	D338 Y340 L387 K388 H391	D338-L342 HydrophobicContact CB-CD1 4.2Å; D338-L342 WeakPolarHBondContact O-CB 3.39Å; D338-L342 WeakPolarHBondContact O-CG 3.05Å; D338-L342 PolarHBondContact O-N 2.74Å; Y340-L342 PolarHBondContact O-N 2.66Å; L342-L387 HydrophobicContact CD2-CB 4.1Å; L342-K388 HydrophobicContact CB-CG 4.14Å; L342-K388 HydrophobicContact CD1-CG 4.25Å; L342-K388 HydrophobicContact CD2-CG 3.93Å; L342-K388 HydrophobicContact CG-CG 4.34Å; L342-H391 HydrophobicContact CD2-CB 4.07Å
343	K	94.6	Very high	92.7	Very high	142 Å²	142	59.1 Å²	59.1	62%	0.617	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-9.1	171.6	-62.7	179.1	-178.4	98.5	0	112.7	D339 Y340 Y341	D339-K343 WeakPolarHBondContact O-CD 3.24Å; D339-K343 WeakPolarHBondContact O-CE 3.09Å; D339-K343 VanDerWaalsContact O-CG 3.27Å; D339-K343 WeakPolarHBondContact O-CG 3.33Å; D339-K343 PolarHBondContact O-NZ 2.8Å; D339-K343 IonicContact OD1-NZ 3.45Å; D339-K343 PolarHBondContact OD1-NZ 3.21Å; Y340-K343 WeakPolarHBondContact O-CB 3.27Å; Y340-K343 PolarHBondContact O-N 2.87Å; Y341-K343 PolarHBondContact O-N 3.42Å; Y341-K343 VanDerWaalsContact O-N 3.16Å
344	L	94.4	Very high	93.1	Very high	18 Å²	18	54 Å²	54	9%	0.094	25%	0.252	C	S	.	.			trans	-70.2	144	-176.7	-64.9	176.8	0	0	0	113.2	E70 Y340 Y341 F355 L387	E70-L344 HydrophobicContact CB-CD1 4.42Å; E70-L344 HydrophobicContact CG-CD1 3.81Å; E70-L344 WeakPolarHBondContact OE2-CD1 3.47Å; Y340-L344 HydrophobicContact CE1-CD1 3.9Å; Y340-L344 HydrophobicContact CE1-CD2 4.32Å; Y340-L344 HydrophobicContact CE1-CG 4.39Å; Y340-L344 HydrophobicContact CE2-CD2 4.02Å; Y341-L344 HydrophobicContact CD2-CD1 3.8Å; Y341-L344 HydrophobicContact CE2-CD1 4.38Å; Y341-L344 WeakPolarHBondContact O-CB 3.19Å; Y341-L344 PolarHBondContact O-N 3.5Å; Y341-L344 VanDerWaalsContact O-N 3.08Å; L344-F355 HydrophobicContact CB-CE1 4.47Å; L344-F355 HydrophobicContact CB-CE2 4.03Å; L344-F355 HydrophobicContact CB-CZ 3.59Å; L344-F355 HydrophobicContact CD1-CE2 3.86Å; L344-F355 HydrophobicContact CD1-CZ 4.3Å; L344-L387 HydrophobicContact CB-CD1 4.37Å
345	R	92.3	Very high	93.2	Very high	70 Å²	70	53.6 Å²	53.6	26%	0.264	25%	0.25	S	C	.	.			trans	-137	143.1	-179	-73.2	-65.7	-176.5	166.9	-6.6	110.9	E347 T348 N349 S383 L385	R345-E347 HydrophobicContact CB-CG 4.11Å; R345-E347 WeakPolarHBondContact CB-OE1 3.09Å; R345-E347 WeakPolarHBondContact CD-OE1 3.43Å; R345-E347 PolarHBondContact O-N 2.75Å; R345-T348 HydrophobicContact CB-CG2 4.15Å; R345-T348 PolarHBondContact O-N 3.06Å; R345-T348 PolarHBondContact O-OG1 3.42Å; R345-T348 VanDerWaalsContact O-OG1 3.06Å; R345-N349 PolarHBondContact O-N 2.85Å; R345-S383 PolarHBondContact NH1-O 3.21Å; R345-L385 PolarHBondContact NH1-O 3.44Å; R345-L385 PolarHBondContact NH2-O 2.88Å
346	P	91.6	Very high	93.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.013	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28	179.5	25.5	-32.1	0	0	0	112.5	T348 F355 Q356 W359 L367 F370	P346-T348 VanDerWaalsContact C-N 3.31Å; P346-T348 PolarHBondContact O-N 2.04Å; P346-F355 HydrophobicContact CB-CD1 4.31Å; P346-F355 HydrophobicContact CB-CE1 4.4Å; P346-Q356 HydrophobicContact CB-CG 4.41Å; P346-W359 HydrophobicContact CG-CD2 3.92Å; P346-W359 HydrophobicContact CG-CE3 4.24Å; P346-W359 HydrophobicContact CG-CG 4.13Å; P346-L367 HydrophobicContact CB-CD1 3.96Å; P346-L367 HydrophobicContact CG-CD1 4.24Å; P346-L367 HydrophobicContact CG-CD2 4.35Å; P346-F370 HydrophobicContact CB-CE1 4Å; P346-F370 HydrophobicContact CB-CZ 4.48Å; P346-F370 HydrophobicContact CG-CE1 4.44Å; P346-F370 HydrophobicContact CG-CZ 4.44Å
347	E	89.4	Confident	93.2	Very high	98 Å²	98	47 Å²	47	46%	0.458	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.4	172.9	62.1	-85.8	-166.7	0	0	114.6	R345 H350 F370	R345-E347 HydrophobicContact CB-CG 4.11Å; R345-E347 WeakPolarHBondContact CB-OE1 3.09Å; R345-E347 WeakPolarHBondContact CD-OE1 3.43Å; R345-E347 PolarHBondContact O-N 2.75Å; E347-H350 PolarHBondContact O-CE1 3.26Å; E347-H350 VanDerWaalsContact O-CE1 3.29Å; E347-H350 PolarHBondContact O-NE2 2.89Å; E347-F370 HydrophobicContact CB-CE1 4.28Å; E347-F370 HydrophobicContact CB-CZ 4.08Å
348	T	91.3	Very high	93.1	Very high	90 Å²	90	47.1 Å²	47.1	55%	0.552	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-31.1	176.6	64.2	0	0	0	0	113.5	R345 P346 H350	R345-T348 HydrophobicContact CB-CG2 4.15Å; R345-T348 PolarHBondContact O-N 3.06Å; R345-T348 PolarHBondContact O-OG1 3.42Å; R345-T348 VanDerWaalsContact O-OG1 3.06Å; P346-T348 VanDerWaalsContact C-N 3.31Å; P346-T348 PolarHBondContact O-N 2.04Å; T348-H350 PolarHBondContact O-N 3.08Å; T348-H350 VanDerWaalsContact O-N 3.11Å
349	N	93.1	Very high	93.1	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.037	22%	0.218	C	C	.	.			trans	-87.4	79	-173.4	-169.1	-0.9	0	0	0	112.1	E70 R345 R351 N352 F355	E70-N349 PolarHBondContact OE1-ND2 2.69Å; R345-N349 PolarHBondContact O-N 2.85Å; N349-R351 WeakPolarHBondContact OD1-CG 3.24Å; N349-R351 PolarHBondContact OD1-N 3.01Å; N349-N352 PolarHBondContact OD1-N 2.67Å; N349-F355 HydrophobicContact CB-CD1 3.97Å; N349-F355 HydrophobicContact CB-CE1 4.32Å; N349-F355 HydrophobicContact CB-CG 4.13Å; N349-F355 WeakPolarHBondContact ND2-CD2 3.1Å; N349-F355 WeakPolarHBondContact ND2-CG 3.39Å
350	H	88.7	Confident	93	Very high	148 Å²	148	41.4 Å²	41.4	69%	0.685	19%	0.193	S	C	*	.			trans	-86.2	-5.6	175.2	-53.4	-38.8	0	0	0	113.9	E347 T348	E347-H350 PolarHBondContact O-CE1 3.26Å; E347-H350 VanDerWaalsContact O-CE1 3.29Å; E347-H350 PolarHBondContact O-NE2 2.89Å; T348-H350 PolarHBondContact O-N 3.08Å; T348-H350 VanDerWaalsContact O-N 3.11Å
351	R	92.4	Very high	92.7	Very high	83 Å²	83	43.1 Å²	43.1	31%	0.313	20%	0.202	S	C	.	.	S	Bend	trans	-86.1	-26.7	-177.2	61.4	172.1	171.4	-154.8	3.6	114.2	L73 E77 Y340 N349	L73-R351 HydrophobicContact CD1-CG 4.22Å; E77-R351 VanDerWaalsContact CD-NH2 3.28Å; E77-R351 IonicContact OE1-CZ 3.59Å; E77-R351 IonicContact OE1-NH1 3.44Å; E77-R351 PolarHBondContact OE1-NH1 3.43Å; E77-R351 IonicContact OE1-NH2 3.28Å; E77-R351 PolarHBondContact OE1-NH2 2.66Å; E77-R351 IonicContact OE2-CZ 2.76Å; E77-R351 IonicContact OE2-NH1 3.62Å; E77-R351 IonicContact OE2-NH2 2.66Å; E77-R351 PolarHBondContact OE2-NH2 3.14Å; Y340-R351 PolarHBondContact OH-NH2 2.76Å; N349-R351 WeakPolarHBondContact OD1-CG 3.24Å; N349-R351 PolarHBondContact OD1-N 3.01Å
352	N	94.6	Very high	92.5	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	21%	0.209	C	C	.	.			trans	-101	107.8	177.8	179.4	-10.2	0	0	0	109.8	E70 N349 W354 F355	E70-N352 WeakPolarHBondContact OE1-CB 3.48Å; E70-N352 PolarHBondContact OE1-ND2 2.96Å; N349-N352 PolarHBondContact OD1-N 2.67Å; N352-W354 PolarHBondContact O-N 3.31Å; N352-W354 VanDerWaalsContact O-N 3.14Å; N352-W354 PolarHBondContact OD1-N 2.89Å; N352-W354 VanDerWaalsContact OD1-N 3.07Å; N352-F355 HydrophobicContact CB-CB 4.06Å; N352-F355 WeakPolarHBondContact O-CB 3.22Å; N352-F355 PolarHBondContact O-N 2.66Å
353	P	93.9	Very high	92.3	Very high	27 Å²	27	45 Å²	45	18%	0.175	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.3	-174.2	30.3	-34.8	0	0	0	113.7	V27 A29 Q372	V27-P353 HydrophobicContact CB-CB 4.3Å; V27-P353 HydrophobicContact CB-CG 4.23Å; V27-P353 HydrophobicContact CG1-CB 3.51Å; V27-P353 HydrophobicContact CG1-CG 3.75Å; A29-P353 HydrophobicContact CB-CG 4.38Å; P353-Q372 PolarHBondContact O-NE2 3.18Å; P353-Q372 PolarHBondContact O-OE1 3.24Å
354	W	95.1	Very high	92.2	Very high	15 Å²	15	43.9 Å²	43.9	6%	0.057	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-1.8	178	-56	-74.8	0	0	0	113	V27 A29 V43 H44 I66 D97 N352 Q356 E357 F358	V27-W354 HydrophobicContact CB-CZ2 4.22Å; V27-W354 WeakPolarHBondContact O-CZ2 3.43Å; A29-W354 HydrophobicContact CB-CZ3 4.05Å; V43-W354 HydrophobicContact CG1-CB 3.92Å; V43-W354 HydrophobicContact CG1-CD2 3.87Å; V43-W354 HydrophobicContact CG1-CE3 4.24Å; V43-W354 HydrophobicContact CG1-CG 3.72Å; V43-W354 HydrophobicContact CG2-CD2 4.42Å; V43-W354 HydrophobicContact CG2-CE3 4.18Å; V43-W354 HydrophobicContact CG2-CZ3 4.28Å; H44-W354 AromaticContact CE1-CD1 3.71Å; H44-W354 AromaticContact CE1-NE1 3.83Å; I66-W354 HydrophobicContact CD1-CB 3.58Å; D97-W354 HydrophobicContact CB-CZ2 4.43Å; N352-W354 PolarHBondContact O-N 3.31Å; N352-W354 VanDerWaalsContact O-N 3.14Å; N352-W354 PolarHBondContact OD1-N 2.89Å; N352-W354 VanDerWaalsContact OD1-N 3.07Å; W354-Q356 PolarHBondContact O-N 3.48Å; W354-E357 PolarHBondContact O-N 3.45Å; W354-F358 VanDerWaalsContact O-CB 3.23Å; W354-F358 WeakPolarHBondContact O-CB 3.41Å; W354-F358 PolarHBondContact O-N 3.42Å
355	F	94.6	Very high	92.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.8	-31.6	-174.5	-164.3	-89.7	0	0	0	113.1	I66 L344 P346 N349 N352 F358 W359 L387	I66-F355 HydrophobicContact CG2-CD2 4.23Å; L344-F355 HydrophobicContact CB-CE1 4.47Å; L344-F355 HydrophobicContact CB-CE2 4.03Å; L344-F355 HydrophobicContact CB-CZ 3.59Å; L344-F355 HydrophobicContact CD1-CE2 3.86Å; L344-F355 HydrophobicContact CD1-CZ 4.3Å; P346-F355 HydrophobicContact CB-CD1 4.31Å; P346-F355 HydrophobicContact CB-CE1 4.4Å; N349-F355 HydrophobicContact CB-CD1 3.97Å; N349-F355 HydrophobicContact CB-CE1 4.32Å; N349-F355 HydrophobicContact CB-CG 4.13Å; N349-F355 WeakPolarHBondContact ND2-CD2 3.1Å; N349-F355 WeakPolarHBondContact ND2-CG 3.39Å; N352-F355 HydrophobicContact CB-CB 4.06Å; N352-F355 WeakPolarHBondContact O-CB 3.22Å; N352-F355 PolarHBondContact O-N 2.66Å; F355-F358 HydrophobicContact CD2-CD1 4.23Å; F355-F358 HydrophobicContact CE2-CD1 4.24Å; F355-F358 HydrophobicContact CE2-CE1 4.38Å; F355-W359 HydrophobicContact CE1-CE3 4.16Å; F355-W359 PolarHBondContact O-N 3.48Å; F355-L387 HydrophobicContact CZ-CD1 4.17Å
356	Q	92.5	Very high	92.1	Very high	21 Å²	21	43.7 Å²	43.7	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-75.7	-38.8	176.4	-64.7	175.9	5.1	0	0	111.9	P346 W354 Q360 L367 F370 Q372	P346-Q356 HydrophobicContact CB-CG 4.41Å; W354-Q356 PolarHBondContact O-N 3.48Å; Q356-Q360 WeakPolarHBondContact O-CG 3.1Å; Q356-Q360 PolarHBondContact O-N 2.9Å; Q356-Q360 PolarHBondContact O-NE2 3.02Å; Q356-L367 HydrophobicContact CB-CD1 4.39Å; Q356-F370 HydrophobicContact CG-CD1 4.31Å; Q356-Q372 HydrophobicContact CB-CB 4.14Å
357	E	92.1	Very high	92	Very high	65 Å²	65	44.2 Å²	44.2	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-46.5	168.5	-179.9	174.8	-165.3	0	0	111.6	H44 V60 W354 W359 Q360 H361	H44-E357 IonicContact NE2-OE1 3.78Å; H44-E357 IonicContact NE2-OE2 2.69Å; V60-E357 HydrophobicContact CG1-CG 3.86Å; W354-E357 PolarHBondContact O-N 3.45Å; E357-W359 PolarHBondContact O-N 3.32Å; E357-Q360 PolarHBondContact O-N 3.41Å; E357-H361 WeakPolarHBondContact O-CB 3.35Å; E357-H361 PolarHBondContact O-N 3.47Å
358	F	93.3	Very high	91.8	Very high	3 Å²	3	44 Å²	44	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-49.7	176.6	164.6	-115.5	0	0	0	113	E62 I66 Y341 W354 F355 Q360 H361 R362 L387	E62-F358 HydrophobicContact CB-CE2 3.82Å; E62-F358 HydrophobicContact CG-CE2 3.61Å; E62-F358 HydrophobicContact CG-CZ 3.88Å; E62-F358 WeakPolarHBondContact OE2-CE2 3.41Å; E62-F358 WeakPolarHBondContact OE2-CZ 3.26Å; I66-F358 HydrophobicContact CB-CD2 4.38Å; I66-F358 HydrophobicContact CB-CG 4.28Å; I66-F358 HydrophobicContact CD1-CB 3.94Å; I66-F358 HydrophobicContact CD1-CG 4.45Å; I66-F358 HydrophobicContact CG1-CB 3.84Å; I66-F358 HydrophobicContact CG1-CD2 3.97Å; I66-F358 HydrophobicContact CG1-CG 3.86Å; I66-F358 HydrophobicContact CG2-CB 4.42Å; I66-F358 HydrophobicContact CG2-CD1 3.81Å; I66-F358 HydrophobicContact CG2-CD2 4.46Å; I66-F358 HydrophobicContact CG2-CE1 4.19Å; I66-F358 HydrophobicContact CG2-CG 3.96Å; Y341-F358 WeakPolarHBondContact OH-CE1 3.41Å; Y341-F358 WeakPolarHBondContact OH-CZ 3.05Å; W354-F358 VanDerWaalsContact O-CB 3.23Å; W354-F358 WeakPolarHBondContact O-CB 3.41Å; W354-F358 PolarHBondContact O-N 3.42Å; F355-F358 HydrophobicContact CD2-CD1 4.23Å; F355-F358 HydrophobicContact CE2-CD1 4.24Å; F355-F358 HydrophobicContact CE2-CE1 4.38Å; F358-Q360 VanDerWaalsContact C-N 3.31Å; F358-Q360 PolarHBondContact O-N 3.14Å; F358-H361 PolarHBondContact O-N 3.15Å; F358-R362 HydrophobicContact CD2-CB 4.4Å; F358-R362 HydrophobicContact CE2-CB 3.96Å; F358-R362 HydrophobicContact CE2-CG 4.46Å; F358-R362 HydrophobicContact CZ-CB 4.37Å; F358-R362 WeakPolarHBondContact O-CB 3.46Å; F358-R362 PolarHBondContact O-N 3.34Å; F358-L387 HydrophobicContact CE1-CD2 3.82Å; F358-L387 HydrophobicContact CZ-CD2 4.01Å
359	W	92.4	Very high	91.3	Very high	6 Å²	6	43.3 Å²	43.3	2%	0.023	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-45.4	179.6	-167.9	-84.2	0	0	0	111.6	P346 F355 E357 F363 L367 L385 L387	P346-W359 HydrophobicContact CG-CD2 3.92Å; P346-W359 HydrophobicContact CG-CE3 4.24Å; P346-W359 HydrophobicContact CG-CG 4.13Å; F355-W359 HydrophobicContact CE1-CE3 4.16Å; F355-W359 PolarHBondContact O-N 3.48Å; E357-W359 PolarHBondContact O-N 3.32Å; W359-F363 AromaticContact CD1-CD2 3.96Å; W359-F363 AromaticContact CD2-CD2 3.88Å; W359-F363 HydrophobicContact CD2-CD2 3.88Å; W359-F363 AromaticContact CD2-CE2 3.75Å; W359-F363 HydrophobicContact CD2-CE2 3.75Å; W359-F363 AromaticContact CE2-CD2 3.75Å; W359-F363 AromaticContact CE2-CE2 3.68Å; W359-F363 AromaticContact CE3-CE2 3.93Å; W359-F363 HydrophobicContact CE3-CE2 3.93Å; W359-F363 HydrophobicContact CG-CD2 4.04Å; W359-F363 HydrophobicContact CG-CE2 4.35Å; W359-F363 HydrophobicContact CH2-CE2 4.04Å; W359-F363 HydrophobicContact CZ2-CD2 4.27Å; W359-F363 AromaticContact CZ2-CE2 3.84Å; W359-F363 HydrophobicContact CZ2-CE2 3.84Å; W359-F363 HydrophobicContact CZ3-CE2 4.08Å; W359-F363 AromaticContact NE1-CD2 3.78Å; W359-F363 WeakPolarHBondContact O-CD2 3.48Å; W359-F363 PolarHBondContact O-N 3.09Å; W359-F363 VanDerWaalsContact O-N 3.14Å; W359-L367 HydrophobicContact CB-CD1 4.16Å; W359-L367 HydrophobicContact CG-CD1 4.28Å; W359-L385 HydrophobicContact CZ2-CB 3.84Å; W359-L387 HydrophobicContact CE3-CD2 4.28Å; W359-L387 HydrophobicContact CZ3-CD1 4.25Å; W359-L387 HydrophobicContact CZ3-CD2 4.03Å; W359-L387 HydrophobicContact CZ3-CG 3.85Å
360	Q	91.9	Very high	91	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-39.2	178.4	-67.3	176.5	100.4	0	0	112.3	Q356 E357 F358 Q364 C365 L367 Q372 Y377	Q356-Q360 WeakPolarHBondContact O-CG 3.1Å; Q356-Q360 PolarHBondContact O-N 2.9Å; Q356-Q360 PolarHBondContact O-NE2 3.02Å; E357-Q360 PolarHBondContact O-N 3.41Å; F358-Q360 VanDerWaalsContact C-N 3.31Å; F358-Q360 PolarHBondContact O-N 3.14Å; Q360-Q364 WeakPolarHBondContact O-CA 3.24Å; Q360-Q364 PolarHBondContact O-N 2.88Å; Q360-C365 WeakPolarHBondContact CA-O 3.39Å; Q360-C365 WeakPolarHBondContact CB-O 3.49Å; Q360-C365 VanDerWaalsContact CG-O 3.22Å; Q360-C365 WeakPolarHBondContact CG-O 3.05Å; Q360-C365 PolarHBondContact O-N 3.39Å; Q360-L367 HydrophobicContact CG-CB 4.12Å; Q360-L367 HydrophobicContact CG-CD1 3.95Å; Q360-L367 HydrophobicContact CG-CG 3.78Å; Q360-Q372 PolarHBondContact NE2-O 3.17Å; Q360-Y377 HydrophobicContact CB-CD2 4.02Å; Q360-Y377 HydrophobicContact CB-CE2 3.94Å
361	H	90.3	Very high	90.7	Very high	65 Å²	65	44.1 Å²	44.1	30%	0.301	23%	0.23	S	C	.	.	H	α-helix	trans	-70.6	-42.6	177	-175.3	-106.6	0	0	0	113.2	V60 E357 F358 Q364 Y377	V60-H361 HydrophobicContact CG2-CB 3.51Å; V60-H361 WeakPolarHBondContact CG2-ND1 3.18Å; E357-H361 WeakPolarHBondContact O-CB 3.35Å; E357-H361 PolarHBondContact O-N 3.47Å; F358-H361 PolarHBondContact O-N 3.15Å; H361-Q364 PolarHBondContact O-NE2 3.48Å; H361-Y377 PolarHBondContact CD2-OH 2.93Å
362	R	89.3	Confident	90.2	Very high	37 Å²	37	43.6 Å²	43.6	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-41.2	-178.9	179.5	-178	174.9	145.2	-7.9	112.7	E62 F358 Q364 L387 T389 H390	E62-R362 IonicContact OE1-CZ 3.26Å; E62-R362 IonicContact OE1-NH1 3.31Å; E62-R362 PolarHBondContact OE1-NH1 3.33Å; E62-R362 WeakPolarHBondContact OE2-CD 3.28Å; E62-R362 IonicContact OE2-CZ 2.76Å; E62-R362 IonicContact OE2-NE 3.4Å; E62-R362 IonicContact OE2-NH1 2.66Å; E62-R362 PolarHBondContact OE2-NH1 3.4Å; F358-R362 HydrophobicContact CD2-CB 4.4Å; F358-R362 HydrophobicContact CE2-CB 3.96Å; F358-R362 HydrophobicContact CE2-CG 4.46Å; F358-R362 HydrophobicContact CZ-CB 4.37Å; F358-R362 WeakPolarHBondContact O-CB 3.46Å; F358-R362 PolarHBondContact O-N 3.34Å; R362-Q364 VanDerWaalsContact C-NE2 3.3Å; R362-Q364 PolarHBondContact O-NE2 3.06Å; R362-L387 PolarHBondContact NH2-O 3.01Å; R362-T389 PolarHBondContact NH2-O 2.96Å; R362-H390 PolarHBondContact NH2-O 3Å
363	F	90.9	Very high	89.8	Confident	41 Å²	41	47 Å²	47	18%	0.18	25%	0.247	C	C	.	.	H	α-helix	trans	-99.9	2.7	-177.5	-61.6	-65.8	0	0	0	113.5	W359 C365 L385 L387	W359-F363 AromaticContact CD1-CD2 3.96Å; W359-F363 AromaticContact CD2-CD2 3.88Å; W359-F363 HydrophobicContact CD2-CD2 3.88Å; W359-F363 AromaticContact CD2-CE2 3.75Å; W359-F363 HydrophobicContact CD2-CE2 3.75Å; W359-F363 AromaticContact CE2-CD2 3.75Å; W359-F363 AromaticContact CE2-CE2 3.68Å; W359-F363 AromaticContact CE3-CE2 3.93Å; W359-F363 HydrophobicContact CE3-CE2 3.93Å; W359-F363 HydrophobicContact CG-CD2 4.04Å; W359-F363 HydrophobicContact CG-CE2 4.35Å; W359-F363 HydrophobicContact CH2-CE2 4.04Å; W359-F363 HydrophobicContact CZ2-CD2 4.27Å; W359-F363 AromaticContact CZ2-CE2 3.84Å; W359-F363 HydrophobicContact CZ2-CE2 3.84Å; W359-F363 HydrophobicContact CZ3-CE2 4.08Å; W359-F363 AromaticContact NE1-CD2 3.78Å; W359-F363 WeakPolarHBondContact O-CD2 3.48Å; W359-F363 PolarHBondContact O-N 3.09Å; W359-F363 VanDerWaalsContact O-N 3.14Å; F363-C365 VanDerWaalsContact CB-SG 3.53Å; F363-C365 PolarHBondContact O-N 2.78Å; F363-L385 HydrophobicContact CB-CD1 4.14Å; F363-L385 HydrophobicContact CD1-CD2 4.1Å; F363-L385 HydrophobicContact CD2-CD1 4.46Å; F363-L385 HydrophobicContact CE1-CD2 4.42Å; F363-L385 HydrophobicContact CG-CD1 4.14Å; F363-L387 HydrophobicContact CE2-CD2 4.17Å; F363-L387 HydrophobicContact CZ-CD2 4.2Å
364	Q	92.2	Very high	89.4	Confident	119 Å²	119	48.6 Å²	48.6	56%	0.556	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	43.3	-178.4	-58.2	82.3	44	0	0	113.5	Q360 H361 R362 Y377	Q360-Q364 WeakPolarHBondContact O-CA 3.24Å; Q360-Q364 PolarHBondContact O-N 2.88Å; H361-Q364 PolarHBondContact O-NE2 3.48Å; R362-Q364 VanDerWaalsContact C-NE2 3.3Å; R362-Q364 PolarHBondContact O-NE2 3.06Å; Q364-Y377 HydrophobicContact CB-CD1 4.24Å; Q364-Y377 HydrophobicContact CB-CE1 4.39Å
365	C	92.6	Very high	89	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.034	28%	0.283	C	S	.	.			trans	-133.4	157.4	-175	64	0	0	0	0	111.3	Q360 F363 Y377 K379 C381	Q360-C365 WeakPolarHBondContact CA-O 3.39Å; Q360-C365 WeakPolarHBondContact CB-O 3.49Å; Q360-C365 VanDerWaalsContact CG-O 3.22Å; Q360-C365 WeakPolarHBondContact CG-O 3.05Å; Q360-C365 PolarHBondContact O-N 3.39Å; F363-C365 VanDerWaalsContact CB-SG 3.53Å; F363-C365 PolarHBondContact O-N 2.78Å; C365-Y377 VanDerWaalsContact C-CB 3.43Å; C365-K379 CarbonylContact C-O 3.38Å; C365-K379 WeakPolarHBondContact CA-O 3.04Å; C365-K379 VanDerWaalsContact CB-O 3.25Å; C365-K379 WeakPolarHBondContact CB-O 3.37Å; C365-C381 HydrophobicContact CB-CB 3.94Å; C365-C381 WeakPolarHBondContact CB-SG 3.42Å; C365-C381 WeakPolarHBondContact SG-CA 3.36Å; C365-C381 WeakPolarHBondContact SG-CB 3.34Å; C365-C381 CovalentContact SG-SG 2.04Å; C365-C381 PolarHBondContact SG-SG 2.88Å
366	R	92.3	Very high	88.7	Confident	80 Å²	80	59.9 Å²	59.9	30%	0.302	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-92.1	142.1	174.4	65.6	176.5	-173	-165	6.9	111.3	E368 K379 C381	R366-E368 HydrophobicContact CG-CG 4.26Å; R366-E368 IonicContact CZ-OE1 3.69Å; R366-E368 IonicContact NE-OE1 2.85Å; R366-E368 PolarHBondContact NE-OE1 3.44Å; R366-E368 IonicContact NH2-OE1 2.69Å; R366-E368 PolarHBondContact NH2-OE1 2.91Å; R366-K379 PolarHBondContact N-O 3.33Å; R366-C381 VanDerWaalsContact C-SG 3.6Å; R366-C381 PolarHBondContact O-N 3.4Å; R366-C381 PolarHBondContact O-SG 3.05Å
367	L	89.8	Confident	88.6	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.063	32%	0.316	C	S	.	.			trans	-96.1	87.8	171.7	-76	174.7	0	0	0	109.4	P346 Q356 W359 Q360 G369 F370 C381	P346-L367 HydrophobicContact CB-CD1 3.96Å; P346-L367 HydrophobicContact CG-CD1 4.24Å; P346-L367 HydrophobicContact CG-CD2 4.35Å; Q356-L367 HydrophobicContact CB-CD1 4.39Å; W359-L367 HydrophobicContact CB-CD1 4.16Å; W359-L367 HydrophobicContact CG-CD1 4.28Å; Q360-L367 HydrophobicContact CG-CB 4.12Å; Q360-L367 HydrophobicContact CG-CD1 3.95Å; Q360-L367 HydrophobicContact CG-CG 3.78Å; L367-G369 PolarHBondContact O-N 2.89Å; L367-F370 HydrophobicContact CB-CB 3.89Å; L367-F370 HydrophobicContact CB-CD2 3.68Å; L367-F370 HydrophobicContact CB-CE2 4.37Å; L367-F370 HydrophobicContact CB-CG 3.86Å; L367-F370 HydrophobicContact CD1-CD1 4.42Å; L367-F370 HydrophobicContact CD1-CG 4.33Å; L367-F370 HydrophobicContact CD2-CD2 4.27Å; L367-F370 HydrophobicContact CD2-CE2 4.11Å; L367-F370 HydrophobicContact CG-CD2 4.4Å; L367-F370 PolarHBondContact O-N 2.94Å; L367-C381 HydrophobicContact CD2-CB 3.9Å
368	E	84.2	Confident	88.4	Confident	93 Å²	93	64.2 Å²	64.2	44%	0.435	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	128.9	179.2	-80.7	173.7	-135.4	0	0	111.8	R366 F370 E373 T380	R366-E368 HydrophobicContact CG-CG 4.26Å; R366-E368 IonicContact CZ-OE1 3.69Å; R366-E368 IonicContact NE-OE1 2.85Å; R366-E368 PolarHBondContact NE-OE1 3.44Å; R366-E368 IonicContact NH2-OE1 2.69Å; R366-E368 PolarHBondContact NH2-OE1 2.91Å; E368-F370 VanDerWaalsContact C-N 3.29Å; E368-F370 PolarHBondContact O-N 2.83Å; E368-E373 WeakPolarHBondContact CA-OE2 3.06Å; E368-T380 HydrophobicContact CB-CG2 4.22Å; E368-T380 HydrophobicContact CG-CG2 3.92Å; E368-T380 WeakPolarHBondContact OE1-CB 3.33Å; E368-T380 WeakPolarHBondContact OE1-CG2 3.32Å; E368-T380 PolarHBondContact OE1-OG1 2.99Å
369	G	81.3	Confident	88.3	Confident	77 Å²	77	71.7 Å²	71.7	79%	0.794	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	5.8	178.4	0	0	0	0	0	115.6	L367 E373	L367-G369 PolarHBondContact O-N 2.89Å; G369-E373 PolarHBondContact N-OE2 2.78Å; G369-E373 VanDerWaalsContact N-OE2 3.09Å
370	F	85.7	Confident	88.2	Confident	53 Å²	53	75 Å²	75	23%	0.232	39%	0.392	C	S	.	.	S	Bend	trans	-87.5	152.1	170.1	-79	-106.2	0	0	0	111.6	P346 E347 Q356 L367 E368 Q372 E373	P346-F370 HydrophobicContact CB-CE1 4Å; P346-F370 HydrophobicContact CB-CZ 4.48Å; P346-F370 HydrophobicContact CG-CE1 4.44Å; P346-F370 HydrophobicContact CG-CZ 4.44Å; E347-F370 HydrophobicContact CB-CE1 4.28Å; E347-F370 HydrophobicContact CB-CZ 4.08Å; Q356-F370 HydrophobicContact CG-CD1 4.31Å; L367-F370 HydrophobicContact CB-CB 3.89Å; L367-F370 HydrophobicContact CB-CD2 3.68Å; L367-F370 HydrophobicContact CB-CE2 4.37Å; L367-F370 HydrophobicContact CB-CG 3.86Å; L367-F370 HydrophobicContact CD1-CD1 4.42Å; L367-F370 HydrophobicContact CD1-CG 4.33Å; L367-F370 HydrophobicContact CD2-CD2 4.27Å; L367-F370 HydrophobicContact CD2-CE2 4.11Å; L367-F370 HydrophobicContact CG-CD2 4.4Å; L367-F370 PolarHBondContact O-N 2.94Å; E368-F370 VanDerWaalsContact C-N 3.29Å; E368-F370 PolarHBondContact O-N 2.83Å; F370-Q372 PolarHBondContact O-N 2.84Å; F370-E373 PolarHBondContact O-N 2.93Å; F370-E373 VanDerWaalsContact O-N 3.16Å
371	P	83.3	Confident	88.1	Confident	119 Å²	119	75.9 Å²	75.9	77%	0.773	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.3	-178.3	-27.2	35.5	0	0	0	115.9
372	Q	82.5	Confident	88.1	Confident	71 Å²	71	76.9 Å²	76.9	33%	0.332	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	35.2	178.7	-64.1	-176.1	-12.7	0	0	113	P353 Q356 Q360 F370 N374	P353-Q372 PolarHBondContact O-NE2 3.18Å; P353-Q372 PolarHBondContact O-OE1 3.24Å; Q356-Q372 HydrophobicContact CB-CB 4.14Å; Q360-Q372 PolarHBondContact NE2-O 3.17Å; F370-Q372 PolarHBondContact O-N 2.84Å; Q372-N374 PolarHBondContact O-N 3.41Å
373	E	86.4	Confident	87.9	Confident	77 Å²	77	79.9 Å²	79.9	36%	0.36	43%	0.433	S	S	.	.			trans	-56.8	123.7	177.1	-173.4	176.9	161.4	0	0	111.7	E368 G369 F370	E368-E373 WeakPolarHBondContact CA-OE2 3.06Å; G369-E373 PolarHBondContact N-OE2 2.78Å; G369-E373 VanDerWaalsContact N-OE2 3.09Å; F370-E373 PolarHBondContact O-N 2.93Å; F370-E373 VanDerWaalsContact O-N 3.16Å
374	N	85.1	Confident	87.7	Confident	59 Å²	59	81.9 Å²	81.9	32%	0.316	45%	0.452	S	S	.	.			trans	-111.9	99.9	-177.5	-168.8	-25.9	0	0	0	111.9	Q372 K376 Y377	Q372-N374 PolarHBondContact O-N 3.41Å; N374-K376 PolarHBondContact O-N 3.44Å; N374-K376 WeakPolarHBondContact OD1-CB 3.38Å; N374-K376 PolarHBondContact OD1-N 3.47Å; N374-K376 VanDerWaalsContact OD1-N 3.17Å; N374-Y377 HydrophobicContact CB-CD2 4.17Å; N374-Y377 HydrophobicContact CB-CE2 4.28Å; N374-Y377 PolarHBondContact O-N 2.95Å; N374-Y377 VanDerWaalsContact O-N 3.15Å
375	S	86.4	Confident	87.6	Confident	98 Å²	98	78.5 Å²	78.5	69%	0.685	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-4.1	-178.5	-41.5	0	0	0	0	115.6	Y377	S375-Y377 PolarHBondContact O-N 2.65Å
376	K	88.4	Confident	87.5	Confident	154 Å²	154	80.2 Å²	80.2	67%	0.67	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.8	170	-173.9	-172.4	172.4	-164.1	0	112.6	N374	N374-K376 PolarHBondContact O-N 3.44Å; N374-K376 WeakPolarHBondContact OD1-CB 3.38Å; N374-K376 PolarHBondContact OD1-N 3.47Å; N374-K376 VanDerWaalsContact OD1-N 3.17Å
377	Y	89.4	Confident	87.3	Confident	29 Å²	29	76.5 Å²	76.5	11%	0.114	43%	0.434	C	S	.	.			trans	-99.6	111.4	-177.9	-57.7	-69.9	0	0	0	111.6	Q360 H361 Q364 C365 N374 S375 K379	Q360-Y377 HydrophobicContact CB-CD2 4.02Å; Q360-Y377 HydrophobicContact CB-CE2 3.94Å; H361-Y377 PolarHBondContact CD2-OH 2.93Å; Q364-Y377 HydrophobicContact CB-CD1 4.24Å; Q364-Y377 HydrophobicContact CB-CE1 4.39Å; C365-Y377 VanDerWaalsContact C-CB 3.43Å; N374-Y377 HydrophobicContact CB-CD2 4.17Å; N374-Y377 HydrophobicContact CB-CE2 4.28Å; N374-Y377 PolarHBondContact O-N 2.95Å; N374-Y377 VanDerWaalsContact O-N 3.15Å; S375-Y377 PolarHBondContact O-N 2.65Å; Y377-K379 VanDerWaalsContact C-N 3.28Å; Y377-K379 PolarHBondContact O-N 2.87Å
378	N	88.9	Confident	87.2	Confident	148 Å²	148	82.5 Å²	82.5	79%	0.791	46%	0.46	S	S	*	.			trans	-75.1	-10.2	-173.2	-63.7	-1.6	0	0	0	114.9
379	K	91.6	Very high	87.3	Confident	161 Å²	161	81.8 Å²	81.8	70%	0.7	46%	0.462	S	S	*	.	S	Bend	trans	-108.2	131.2	-179	-64.6	179.9	-179.3	178.2	0	109.6	C365 R366 Y377	C365-K379 CarbonylContact C-O 3.38Å; C365-K379 WeakPolarHBondContact CA-O 3.04Å; C365-K379 VanDerWaalsContact CB-O 3.25Å; C365-K379 WeakPolarHBondContact CB-O 3.37Å; R366-K379 PolarHBondContact N-O 3.33Å; Y377-K379 VanDerWaalsContact C-N 3.28Å; Y377-K379 PolarHBondContact O-N 2.87Å
380	T	90.6	Very high	87.3	Confident	74 Å²	74	86.2 Å²	86.2	45%	0.454	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-70.9	142.3	171.6	-38.3	0	0	0	0	110.6	E368	E368-T380 HydrophobicContact CB-CG2 4.22Å; E368-T380 HydrophobicContact CG-CG2 3.92Å; E368-T380 WeakPolarHBondContact OE1-CB 3.33Å; E368-T380 WeakPolarHBondContact OE1-CG2 3.32Å; E368-T380 PolarHBondContact OE1-OG1 2.99Å
381	C	89.5	Confident	87.3	Confident	22 Å²	22	85.9 Å²	85.9	15%	0.149	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-70.4	136.1	174.6	-58.7	0	0	0	0	111.1	C365 R366 L367 L385	C365-C381 HydrophobicContact CB-CB 3.94Å; C365-C381 WeakPolarHBondContact CB-SG 3.42Å; C365-C381 WeakPolarHBondContact SG-CA 3.36Å; C365-C381 WeakPolarHBondContact SG-CB 3.34Å; C365-C381 CovalentContact SG-SG 2.04Å; C365-C381 PolarHBondContact SG-SG 2.88Å; R366-C381 VanDerWaalsContact C-SG 3.6Å; R366-C381 PolarHBondContact O-N 3.4Å; R366-C381 PolarHBondContact O-SG 3.05Å; L367-C381 HydrophobicContact CD2-CB 3.9Å; C381-L385 HydrophobicContact CB-CD1 4.06Å
382	D	89.4	Confident	87.3	Confident	85 Å²	85	83.6 Å²	83.6	46%	0.455	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-82.7	135.8	169.7	179.1	10	0	0	0	110.9	S384 L385	D382-S384 VanDerWaalsContact CG-OG 3.3Å; D382-S384 PolarHBondContact O-N 3.43Å; D382-S384 VanDerWaalsContact O-N 3.15Å; D382-S384 PolarHBondContact OD1-N 3.45Å; D382-S384 VanDerWaalsContact OD2-CB 3.29Å; D382-S384 WeakPolarHBondContact OD2-CB 3.28Å; D382-S384 PolarHBondContact OD2-OG 3.13Å; D382-L385 HydrophobicContact CB-CG 4.39Å; D382-L385 VanDerWaalsContact O-CB 3.29Å; D382-L385 WeakPolarHBondContact O-CB 3.26Å; D382-L385 WeakPolarHBondContact O-CD1 3.36Å; D382-L385 VanDerWaalsContact O-CG 3.24Å; D382-L385 WeakPolarHBondContact O-CG 3.29Å; D382-L385 PolarHBondContact O-N 3.36Å; D382-L385 VanDerWaalsContact O-N 3.1Å
383	S	84.5	Confident	87.5	Confident	101 Å²	101	81.3 Å²	81.3	71%	0.706	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.5	-34.7	164.7	62.2	0	0	0	0	115	R345 L385	R345-S383 PolarHBondContact NH1-O 3.21Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 PolarHBondContact O-N 3.31Å
384	S	87.3	Confident	87.6	Confident	83 Å²	83	77.7 Å²	77.7	58%	0.58	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.3	-178.1	81.7	0	0	0	0	114.4	D382	D382-S384 VanDerWaalsContact CG-OG 3.3Å; D382-S384 PolarHBondContact O-N 3.43Å; D382-S384 VanDerWaalsContact O-N 3.15Å; D382-S384 PolarHBondContact OD1-N 3.45Å; D382-S384 VanDerWaalsContact OD2-CB 3.29Å; D382-S384 WeakPolarHBondContact OD2-CB 3.28Å; D382-S384 PolarHBondContact OD2-OG 3.13Å
385	L	89.6	Confident	87.5	Confident	48 Å²	48	76 Å²	76	25%	0.251	41%	0.409	S	S	.	.			trans	-55.8	147.1	-179.3	-70.7	170.9	0	0	0	112.1	R345 W359 F363 C381 D382 S383	R345-L385 PolarHBondContact NH1-O 3.44Å; R345-L385 PolarHBondContact NH2-O 2.88Å; W359-L385 HydrophobicContact CZ2-CB 3.84Å; F363-L385 HydrophobicContact CB-CD1 4.14Å; F363-L385 HydrophobicContact CD1-CD2 4.1Å; F363-L385 HydrophobicContact CD2-CD1 4.46Å; F363-L385 HydrophobicContact CE1-CD2 4.42Å; F363-L385 HydrophobicContact CG-CD1 4.14Å; C381-L385 HydrophobicContact CB-CD1 4.06Å; D382-L385 HydrophobicContact CB-CG 4.39Å; D382-L385 VanDerWaalsContact O-CB 3.29Å; D382-L385 WeakPolarHBondContact O-CB 3.26Å; D382-L385 WeakPolarHBondContact O-CD1 3.36Å; D382-L385 VanDerWaalsContact O-CG 3.24Å; D382-L385 WeakPolarHBondContact O-CG 3.29Å; D382-L385 PolarHBondContact O-N 3.36Å; D382-L385 VanDerWaalsContact O-N 3.1Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 PolarHBondContact O-N 3.31Å
386	T	90.6	Very high	87.6	Confident	40 Å²	40	72.3 Å²	72.3	25%	0.245	38%	0.381	C	S	.	.			trans	-148.2	142.5	-176.2	-176.1	0	0	0	0	112.1	K388 T389	T386-K388 HydrophobicContact CG2-CB 4.1Å; T386-K388 PolarHBondContact O-N 3.44Å; T386-K388 PolarHBondContact OG1-N 2.84Å; T386-T389 PolarHBondContact O-N 2.88Å
387	L	89.1	Confident	87.7	Confident	2 Å²	2	65 Å²	65	1%	0.01	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.9	176.4	-65.2	171.6	0	0	0	113.4	Y341 L342 L344 F355 F358 W359 R362 F363 T389	Y341-L387 HydrophobicContact CD1-CD1 4.41Å; Y341-L387 HydrophobicContact CE1-CB 4.47Å; Y341-L387 HydrophobicContact CE1-CD1 4.09Å; Y341-L387 WeakPolarHBondContact O-CD1 3.03Å; L342-L387 HydrophobicContact CD2-CB 4.1Å; L344-L387 HydrophobicContact CB-CD1 4.37Å; F355-L387 HydrophobicContact CZ-CD1 4.17Å; F358-L387 HydrophobicContact CE1-CD2 3.82Å; F358-L387 HydrophobicContact CZ-CD2 4.01Å; W359-L387 HydrophobicContact CE3-CD2 4.28Å; W359-L387 HydrophobicContact CZ3-CD1 4.25Å; W359-L387 HydrophobicContact CZ3-CD2 4.03Å; W359-L387 HydrophobicContact CZ3-CG 3.85Å; R362-L387 PolarHBondContact NH2-O 3.01Å; F363-L387 HydrophobicContact CE2-CD2 4.17Å; F363-L387 HydrophobicContact CZ-CD2 4.2Å; L387-T389 PolarHBondContact O-N 3.31Å
388	K	88.4	Confident	87.9	Confident	138 Å²	138	63.7 Å²	63.7	60%	0.6	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.4	175.8	-64.7	-177.9	176.8	-174	0	112.8	L342 T386 H390 H391	L342-K388 HydrophobicContact CB-CG 4.14Å; L342-K388 HydrophobicContact CD1-CG 4.25Å; L342-K388 HydrophobicContact CD2-CG 3.93Å; L342-K388 HydrophobicContact CG-CG 4.34Å; T386-K388 HydrophobicContact CG2-CB 4.1Å; T386-K388 PolarHBondContact O-N 3.44Å; T386-K388 PolarHBondContact OG1-N 2.84Å; K388-H390 PolarHBondContact O-N 3.32Å; K388-H391 PolarHBondContact O-N 2.8Å
389	T	84.8	Confident	88.1	Confident	79 Å²	79	57.6 Å²	57.6	49%	0.485	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	113.1	-179.4	-53.6	0	0	0	0	109.7	R362 T386 L387	R362-T389 PolarHBondContact NH2-O 2.96Å; T386-T389 PolarHBondContact O-N 2.88Å; L387-T389 PolarHBondContact O-N 3.31Å
390	H	81.9	Confident	88.3	Confident	170 Å²	170	49.9 Å²	49.9	79%	0.787	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	45.2	-170.3	-54.5	-75	0	0	0	113.4	R362 K388 V392	R362-H390 PolarHBondContact NH2-O 3Å; K388-H390 PolarHBondContact O-N 3.32Å; H390-V392 PolarHBondContact O-N 3.41Å
391	H	85.2	Confident	88.5	Confident	46 Å²	46	46.4 Å²	46.4	21%	0.213	26%	0.256	C	S	.	.			trans	-67.6	127	167.2	-176.7	59.2	0	0	0	110.8	D338 Y341 L342 K388	D338-H391 IonicContact OD1-CD2 3.52Å; D338-H391 IonicContact OD1-CE1 2.72Å; D338-H391 IonicContact OD1-NE2 2.75Å; D338-H391 PolarHBondContact OD1-NE2 2.92Å; Y341-H391 AromaticContact CD1-CE1 3.75Å; L342-H391 HydrophobicContact CD2-CB 4.07Å; K388-H391 PolarHBondContact O-N 2.8Å
392	V	84.1	Confident	88.8	Confident	71 Å²	71	45.4 Å²	45.4	43%	0.43	25%	0.249	S	C	.	.			trans	-137.1	116.3	171.2	-177	0	0	0	0	107.2	Q67 H390	Q67-V392 PolarHBondContact NE2-O 3.45Å; H390-V392 PolarHBondContact O-N 3.41Å
393	Q	87	Confident	89.2	Confident	22 Å²	22	41.4 Å²	41.4	10%	0.103	23%	0.228	C	C	.	.			trans	-71.4	144.8	179.1	-168.9	173.4	94.1	0	0	110.6	V334 F337 D338 S395 M397	V334-Q393 PolarHBondContact O-NE2 2.84Å; F337-Q393 HydrophobicContact CD1-CG 4.5Å; D338-Q393 PolarHBondContact OD1-NE2 2.66Å; D338-Q393 PolarHBondContact OD2-NE2 2.68Å; Q393-S395 PolarHBondContact O-N 2.86Å; Q393-M397 HydrophobicContact CG-CB 4.45Å
394	D	86.9	Confident	89.8	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.011	19%	0.194	C	C	.	.			trans	-59.6	116.8	167.1	169.7	30.8	0	0	0	110.5	Q63 Y64 R68 K396 M397	Q63-D394 HydrophobicContact CB-CB 4.06Å; Y64-D394 WeakPolarHBondContact CD1-OD1 3.33Å; Y64-D394 VanDerWaalsContact CE1-OD1 3.28Å; Y64-D394 WeakPolarHBondContact CE1-OD1 3.02Å; R68-D394 IonicContact CZ-OD1 2.71Å; R68-D394 IonicContact CZ-OD2 2.69Å; R68-D394 IonicContact NE-OD2 2.84Å; R68-D394 PolarHBondContact NE-OD2 2.97Å; R68-D394 IonicContact NH2-OD1 3.62Å; R68-D394 PolarHBondContact NH2-OD1 3.18Å; R68-D394 IonicContact NH2-OD2 2.75Å; R68-D394 PolarHBondContact NH2-OD2 3.49Å; D394-K396 PolarHBondContact O-N 3.39Å; D394-K396 VanDerWaalsContact O-N 3.07Å; D394-K396 PolarHBondContact OD1-N 2.04Å; D394-K396 VanDerWaalsContact OD1-N 3.1Å; D394-M397 HydrophobicContact CB-CB 4.34Å; D394-M397 HydrophobicContact CB-CE 4.06Å; D394-M397 WeakPolarHBondContact O-CB 3.39Å; D394-M397 PolarHBondContact O-N 3.44Å; D394-M397 PolarHBondContact OD2-N 2.9Å
395	S	84.7	Confident	90.2	Very high	22 Å²	22	34.5 Å²	34.5	15%	0.154	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.4	-179.9	61.6	0	0	0	0	113	D309 S331 Q393	D309-S395 VanDerWaalsContact CG-OG 3.28Å; D309-S395 PolarHBondContact OD1-OG 3.42Å; D309-S395 WeakPolarHBondContact OD2-CB 3.46Å; D309-S395 PolarHBondContact OD2-OG 3.26Å; S331-S395 WeakPolarHBondContact CB-O 3.23Å; S331-S395 PolarHBondContact OG-O 3.39Å; Q393-S395 PolarHBondContact O-N 2.86Å
396	K	88.1	Confident	90.6	Very high	22 Å²	22	32.2 Å²	32.2	10%	0.096	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.1	177.4	-55.2	-166.1	-179.5	-169.5	0	114	S173 D305 D394 G398 F399 V400	S173-K396 VanDerWaalsContact OG-CD 3.28Å; S173-K396 WeakPolarHBondContact OG-CD 3.45Å; D305-K396 IonicContact OD2-NZ 2.75Å; D305-K396 PolarHBondContact OD2-NZ 2.87Å; D394-K396 PolarHBondContact O-N 3.39Å; D394-K396 VanDerWaalsContact O-N 3.07Å; D394-K396 PolarHBondContact OD1-N 2.04Å; D394-K396 VanDerWaalsContact OD1-N 3.1Å; K396-G398 VanDerWaalsContact C-N 3.33Å; K396-G398 PolarHBondContact O-N 2.82Å; K396-F399 HydrophobicContact CB-CD2 4.17Å; K396-F399 HydrophobicContact CG-CD2 4.5Å; K396-F399 PolarHBondContact O-N 3.04Å; K396-F399 VanDerWaalsContact O-N 3.16Å; K396-V400 PolarHBondContact O-N 3.34Å
397	M	90.9	Very high	90.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-40.4	-178.5	-168.1	60.8	81.3	0	0	112.8	Q67 R68 A71 F337 Q393 D394 F399 V400 I401	Q67-M397 VanDerWaalsContact C-CE 3.42Å; Q67-M397 HydrophobicContact CB-CE 3.51Å; Q67-M397 WeakPolarHBondContact O-CE 3.43Å; R68-M397 HydrophobicContact CG-CE 4.29Å; R68-M397 HydrophobicContact CG-SD 4.34Å; A71-M397 HydrophobicContact CB-CE 3.9Å; A71-M397 HydrophobicContact CB-CG 4.25Å; A71-M397 HydrophobicContact CB-SD 3.22Å; A71-M397 WeakPolarHBondContact CB-SD 3.4Å; F337-M397 HydrophobicContact CD1-CE 4.47Å; F337-M397 HydrophobicContact CE1-CE 3.96Å; F337-M397 HydrophobicContact CZ-CE 4.04Å; Q393-M397 HydrophobicContact CG-CB 4.45Å; D394-M397 HydrophobicContact CB-CB 4.34Å; D394-M397 HydrophobicContact CB-CE 4.06Å; D394-M397 WeakPolarHBondContact O-CB 3.39Å; D394-M397 PolarHBondContact O-N 3.44Å; D394-M397 PolarHBondContact OD2-N 2.9Å; M397-F399 PolarHBondContact O-N 2.63Å; M397-V400 WeakPolarHBondContact O-CB 3.48Å; M397-V400 PolarHBondContact O-N 3.22Å; M397-V400 VanDerWaalsContact O-N 3.11Å; M397-I401 HydrophobicContact CG-CD1 3.92Å; M397-I401 WeakPolarHBondContact O-CG1 3.46Å; M397-I401 PolarHBondContact O-N 3.24Å; M397-I401 VanDerWaalsContact O-N 3.11Å
398	G	92.3	Very high	91.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-56.3	-37.5	177	0	0	0	0	0	113	K396 I401 N402	K396-G398 VanDerWaalsContact C-N 3.33Å; K396-G398 PolarHBondContact O-N 2.82Å; G398-I401 PolarHBondContact O-N 3.35Å; G398-N402 WeakPolarHBondContact O-CB 3.39Å; G398-N402 PolarHBondContact O-N 3.19Å; G398-N402 PolarHBondContact O-ND2 3.13Å
399	F	93.5	Very high	91.7	Very high	19 Å²	19	26.9 Å²	26.9	8%	0.083	13%	0.134	C	C	.	.	H	α-helix	trans	-71.5	-36.2	176.9	-58.5	-62	0	0	0	113.1	V191 V192 L329 Q330 K396 M397 I401 N402 A403	V191-F399 HydrophobicContact CG2-CB 4.26Å; V191-F399 VanDerWaalsContact CG2-O 3.24Å; V191-F399 WeakPolarHBondContact CG2-O 3.3Å; V191-F399 VanDerWaalsContact O-CD1 3.31Å; V191-F399 WeakPolarHBondContact O-CD1 3.48Å; V192-F399 HydrophobicContact CG1-CB 3.88Å; V192-F399 HydrophobicContact CG1-CD1 3.49Å; V192-F399 VanDerWaalsContact CG1-CD1 3.49Å; V192-F399 HydrophobicContact CG1-CD2 3.84Å; V192-F399 HydrophobicContact CG1-CE1 3.94Å; V192-F399 HydrophobicContact CG1-CE2 4.25Å; V192-F399 HydrophobicContact CG1-CG 3.44Å; V192-F399 VanDerWaalsContact CG1-CG 3.44Å; V192-F399 HydrophobicContact CG1-CZ 4.3Å; L329-F399 HydrophobicContact CB-CE2 3.64Å; L329-F399 HydrophobicContact CB-CZ 3.8Å; L329-F399 HydrophobicContact CD2-CE2 4.47Å; L329-F399 HydrophobicContact CD2-CZ 4.35Å; Q330-F399 VanDerWaalsContact O-CZ 3.29Å; Q330-F399 WeakPolarHBondContact O-CZ 3.35Å; K396-F399 HydrophobicContact CB-CD2 4.17Å; K396-F399 HydrophobicContact CG-CD2 4.5Å; K396-F399 PolarHBondContact O-N 3.04Å; K396-F399 VanDerWaalsContact O-N 3.16Å; M397-F399 PolarHBondContact O-N 2.63Å; F399-I401 VanDerWaalsContact C-N 3.28Å; F399-I401 PolarHBondContact O-N 2.9Å; F399-N402 PolarHBondContact O-N 3.32Å; F399-A403 WeakPolarHBondContact O-CB 3.46Å; F399-A403 PolarHBondContact O-N 3.28Å
400	V	95.6	Very high	92.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-44.5	173.1	-179.7	0	0	0	0	109.9	F41 R68 Y172 K396 M397 A403 I404	F41-V400 HydrophobicContact CE1-CG1 3.84Å; F41-V400 HydrophobicContact CZ-CG1 3.81Å; R68-V400 HydrophobicContact CG-CG2 4.07Å; Y172-V400 HydrophobicContact CD1-CG2 4.21Å; Y172-V400 HydrophobicContact CD2-CG2 3.77Å; Y172-V400 HydrophobicContact CE2-CG2 4.27Å; Y172-V400 HydrophobicContact CG-CG2 3.78Å; K396-V400 PolarHBondContact O-N 3.34Å; M397-V400 WeakPolarHBondContact O-CB 3.48Å; M397-V400 PolarHBondContact O-N 3.22Å; M397-V400 VanDerWaalsContact O-N 3.11Å; V400-A403 PolarHBondContact O-N 3.49Å; V400-I404 HydrophobicContact CG1-CD1 4.29Å; V400-I404 WeakPolarHBondContact O-CG1 3.1Å; V400-I404 PolarHBondContact O-N 2.92Å
401	I	95.9	Very high	92.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-69.3	-42.4	179.9	-62.2	161.8	0	0	0	111.4	T75 V334 W336 M397 G398 F399 A403 I404 Y405 V449	T75-I401 HydrophobicContact CG2-CG2 4.1Å; V334-I401 HydrophobicContact CB-CD1 4.37Å; V334-I401 HydrophobicContact CG1-CD1 3.89Å; V334-I401 HydrophobicContact CG2-CD1 4.08Å; W336-I401 HydrophobicContact CH2-CD1 3.84Å; W336-I401 HydrophobicContact CH2-CG1 4.3Å; W336-I401 HydrophobicContact CH2-CG2 4.34Å; W336-I401 HydrophobicContact CZ2-CD1 3.84Å; W336-I401 HydrophobicContact CZ2-CG1 4.5Å; W336-I401 HydrophobicContact CZ2-CG2 4.04Å; M397-I401 HydrophobicContact CG-CD1 3.92Å; M397-I401 WeakPolarHBondContact O-CG1 3.46Å; M397-I401 PolarHBondContact O-N 3.24Å; M397-I401 VanDerWaalsContact O-N 3.11Å; G398-I401 PolarHBondContact O-N 3.35Å; F399-I401 VanDerWaalsContact C-N 3.28Å; F399-I401 PolarHBondContact O-N 2.9Å; I401-A403 VanDerWaalsContact C-N 3.28Å; I401-A403 PolarHBondContact O-N 3.37Å; I401-I404 PolarHBondContact O-N 3.37Å; I401-I404 VanDerWaalsContact O-N 3.14Å; I401-Y405 HydrophobicContact CG2-CD2 3.63Å; I401-Y405 HydrophobicContact CG2-CE2 3.46Å; I401-Y405 VanDerWaalsContact CG2-CE2 3.46Å; I401-Y405 WeakPolarHBondContact O-CD2 3.32Å; I401-Y405 PolarHBondContact O-N 2.93Å; I401-V449 HydrophobicContact CB-CG1 4.22Å; I401-V449 HydrophobicContact CG2-CG1 3.49Å; I401-V449 VanDerWaalsContact CG2-CG1 3.49Å
402	N	95.2	Very high	93.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.011	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-33.9	175.2	-69.7	-19.3	0	0	0	112	V191 G398 F399 S406 F446 G448 V449 I454	V191-N402 HydrophobicContact CB-CB 4.39Å; V191-N402 HydrophobicContact CG2-CB 4.32Å; G398-N402 WeakPolarHBondContact O-CB 3.39Å; G398-N402 PolarHBondContact O-N 3.19Å; G398-N402 PolarHBondContact O-ND2 3.13Å; F399-N402 PolarHBondContact O-N 3.32Å; N402-S406 VanDerWaalsContact O-CB 3.29Å; N402-S406 WeakPolarHBondContact O-CB 3.48Å; N402-S406 PolarHBondContact O-N 2.86Å; N402-F446 WeakPolarHBondContact O-CZ 3.44Å; N402-G448 VanDerWaalsContact OD1-CA 3.25Å; N402-G448 WeakPolarHBondContact OD1-CA 3.43Å; N402-V449 PolarHBondContact OD1-N 3.23Å; N402-I454 HydrophobicContact CB-CG1 4.44Å
403	A	96.9	Very high	94	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.1	-38.9	173.4	0	0	0	0	0	112.3	I147 I170 V191 F399 V400 I401 S406 M407	I147-A403 HydrophobicContact CG2-CB 4.09Å; I170-A403 HydrophobicContact CB-CB 4.44Å; I170-A403 HydrophobicContact CG2-CB 3.82Å; V191-A403 HydrophobicContact CG2-CB 3.87Å; F399-A403 WeakPolarHBondContact O-CB 3.46Å; F399-A403 PolarHBondContact O-N 3.28Å; V400-A403 PolarHBondContact O-N 3.49Å; I401-A403 VanDerWaalsContact C-N 3.28Å; I401-A403 PolarHBondContact O-N 3.37Å; A403-S406 PolarHBondContact O-N 3.02Å; A403-M407 PolarHBondContact O-N 2.91Å
404	I	97.4	Very high	94.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.5	-46.3	176.4	-61.2	159.3	0	0	0	110.6	M72 T75 L76 I79 I147 V400 I401 S406 M407 A408	M72-I404 HydrophobicContact CB-CD1 3.85Å; M72-I404 HydrophobicContact CG-CD1 3.74Å; M72-I404 HydrophobicContact CG-CG1 4.38Å; T75-I404 HydrophobicContact CG2-CB 4.02Å; T75-I404 HydrophobicContact CG2-CD1 4.17Å; T75-I404 HydrophobicContact CG2-CG2 3.65Å; L76-I404 HydrophobicContact CD2-CG2 3.97Å; I79-I404 HydrophobicContact CD1-CG2 3.82Å; I147-I404 HydrophobicContact CD1-CB 4.21Å; I147-I404 HydrophobicContact CD1-CG1 3.55Å; V400-I404 HydrophobicContact CG1-CD1 4.29Å; V400-I404 WeakPolarHBondContact O-CG1 3.1Å; V400-I404 PolarHBondContact O-N 2.92Å; I401-I404 PolarHBondContact O-N 3.37Å; I401-I404 VanDerWaalsContact O-N 3.14Å; I404-S406 VanDerWaalsContact C-N 3.34Å; I404-S406 PolarHBondContact O-N 2.96Å; I404-M407 PolarHBondContact O-N 3.29Å; I404-A408 PolarHBondContact O-N 2.77Å
405	Y	96.8	Very high	94.7	Very high	40 Å²	40	13.1 Å²	13.1	16%	0.157	6%	0.062	C	C	.	.	H	α-helix	trans	-63	-39.3	174.2	-79	-65.1	0	0	0	112.1	T75 I79 L85 I401 M407 A408 Y409 V449	T75-Y405 HydrophobicContact CG2-CE2 4.15Å; I79-Y405 HydrophobicContact CD1-CD1 3.97Å; I79-Y405 HydrophobicContact CD1-CE1 3.94Å; I79-Y405 HydrophobicContact CG1-CD1 4.11Å; I79-Y405 HydrophobicContact CG1-CE1 3.64Å; L85-Y405 HydrophobicContact CD2-CD1 4.19Å; I401-Y405 HydrophobicContact CG2-CD2 3.63Å; I401-Y405 HydrophobicContact CG2-CE2 3.46Å; I401-Y405 VanDerWaalsContact CG2-CE2 3.46Å; I401-Y405 WeakPolarHBondContact O-CD2 3.32Å; I401-Y405 PolarHBondContact O-N 2.93Å; Y405-M407 VanDerWaalsContact C-N 3.32Å; Y405-M407 PolarHBondContact O-N 3.04Å; Y405-A408 PolarHBondContact O-N 2.63Å; Y405-A408 VanDerWaalsContact O-N 3.14Å; Y405-Y409 HydrophobicContact CD1-CE2 4.34Å; Y405-Y409 WeakPolarHBondContact O-CB 3.07Å; Y405-Y409 VanDerWaalsContact O-CD2 3.23Å; Y405-Y409 WeakPolarHBondContact O-CD2 3.21Å; Y405-Y409 PolarHBondContact O-N 2.73Å; Y405-V449 HydrophobicContact CE2-CG1 4.33Å
406	S	96.8	Very high	95.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.3	-43.9	174.8	178.7	0	0	0	0	111.8	N402 A403 I404 G410 L441 F456	N402-S406 VanDerWaalsContact O-CB 3.29Å; N402-S406 WeakPolarHBondContact O-CB 3.48Å; N402-S406 PolarHBondContact O-N 2.86Å; A403-S406 PolarHBondContact O-N 3.02Å; I404-S406 VanDerWaalsContact C-N 3.34Å; I404-S406 PolarHBondContact O-N 2.96Å; S406-G410 PolarHBondContact O-N 3.46Å; S406-L441 VanDerWaalsContact O-CD2 3.31Å; S406-L441 WeakPolarHBondContact O-CD2 3.48Å; S406-F456 WeakPolarHBondContact OG-CE2 3.29Å; S406-F456 WeakPolarHBondContact OG-CZ 3.14Å
407	M	97.4	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-44.3	173.9	-168.1	65.1	74.4	0	0	111.9	I37 I170 A403 I404 Y405 G410 L411 L437 L441	I37-M407 HydrophobicContact CD1-CB 4.4Å; I37-M407 HydrophobicContact CD1-CG 3.74Å; I37-M407 HydrophobicContact CG1-CG 4.15Å; I170-M407 HydrophobicContact CD1-CB 4.21Å; I170-M407 HydrophobicContact CD1-CE 3.77Å; I170-M407 HydrophobicContact CD1-SD 4.44Å; I170-M407 HydrophobicContact CG1-CE 3.95Å; A403-M407 PolarHBondContact O-N 2.91Å; I404-M407 PolarHBondContact O-N 3.29Å; Y405-M407 VanDerWaalsContact C-N 3.32Å; Y405-M407 PolarHBondContact O-N 3.04Å; M407-G410 PolarHBondContact O-N 3.05Å; M407-L411 HydrophobicContact CG-CD1 4.3Å; M407-L411 WeakPolarHBondContact O-CG 3.34Å; M407-L411 PolarHBondContact O-N 3.48Å; M407-L437 HydrophobicContact SD-CD2 4.27Å; M407-L441 HydrophobicContact SD-CD1 4.33Å
408	A	97.1	Very high	95.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.8	-43	179.3	0	0	0	0	0	113.1	I79 L85 L86 L91 I404 Y405 L411 H412	I79-A408 HydrophobicContact CD1-CB 4.02Å; I79-A408 HydrophobicContact CG2-CB 4.36Å; L85-A408 HydrophobicContact CD2-CB 3.8Å; L85-A408 HydrophobicContact CG-CB 4.36Å; L86-A408 HydrophobicContact CD1-CB 4.1Å; L91-A408 HydrophobicContact CD1-CB 4.04Å; I404-A408 PolarHBondContact O-N 2.77Å; Y405-A408 PolarHBondContact O-N 2.63Å; Y405-A408 VanDerWaalsContact O-N 3.14Å; A408-L411 PolarHBondContact O-N 2.81Å; A408-H412 WeakPolarHBondContact O-CB 3.22Å; A408-H412 PolarHBondContact O-N 3.4Å
409	Y	97.1	Very high	95.7	Very high	68 Å²	68	22 Å²	22	27%	0.267	11%	0.114	S	C	.	.	H	α-helix	trans	-66.1	-35.5	172.7	-80.8	-70.5	0	0	0	112	L85 Y405 H412 N413 F446	L85-Y409 HydrophobicContact CD1-CD1 3.71Å; L85-Y409 HydrophobicContact CD1-CE1 3.83Å; L85-Y409 HydrophobicContact CD1-CG 4.16Å; L85-Y409 HydrophobicContact CD2-CE2 4.36Å; Y405-Y409 HydrophobicContact CD1-CE2 4.34Å; Y405-Y409 WeakPolarHBondContact O-CB 3.07Å; Y405-Y409 VanDerWaalsContact O-CD2 3.23Å; Y405-Y409 WeakPolarHBondContact O-CD2 3.21Å; Y405-Y409 PolarHBondContact O-N 2.73Å; Y409-H412 PolarHBondContact O-N 3.12Å; Y409-N413 VanDerWaalsContact O-CB 3.3Å; Y409-N413 WeakPolarHBondContact O-CB 3.43Å; Y409-N413 VanDerWaalsContact O-CG 3.25Å; Y409-N413 PolarHBondContact O-N 2.83Å; Y409-F446 HydrophobicContact CD1-CB 4.36Å; Y409-F446 HydrophobicContact CD2-CB 3.63Å; Y409-F446 AromaticContact CD2-CD1 3.81Å; Y409-F446 HydrophobicContact CD2-CD1 3.81Å; Y409-F446 AromaticContact CD2-CD2 3.68Å; Y409-F446 HydrophobicContact CD2-CD2 3.68Å; Y409-F446 HydrophobicContact CD2-CE1 4.42Å; Y409-F446 HydrophobicContact CD2-CE2 4.3Å; Y409-F446 AromaticContact CD2-CG 3.41Å; Y409-F446 HydrophobicContact CD2-CG 3.41Å; Y409-F446 VanDerWaalsContact CD2-CG 3.41Å; Y409-F446 HydrophobicContact CE1-CB 4.26Å; Y409-F446 HydrophobicContact CE2-CB 3.53Å; Y409-F446 HydrophobicContact CE2-CD1 4.45Å; Y409-F446 AromaticContact CE2-CD2 3.59Å; Y409-F446 HydrophobicContact CE2-CD2 3.59Å; Y409-F446 HydrophobicContact CE2-CE2 4.44Å; Y409-F446 AromaticContact CE2-CG 3.6Å; Y409-F446 HydrophobicContact CE2-CG 3.6Å; Y409-F446 HydrophobicContact CG-CB 4.07Å; Y409-F446 HydrophobicContact CG-CD1 4.28Å; Y409-F446 HydrophobicContact CG-CG 4.14Å
410	G	96.6	Very high	95.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-42.1	173.7	0	0	0	0	0	112.9	S406 M407 M414 S440	S406-G410 PolarHBondContact O-N 3.46Å; M407-G410 PolarHBondContact O-N 3.05Å; G410-M414 PolarHBondContact O-N 3.06Å; G410-S440 WeakPolarHBondContact O-CB 3.43Å; G410-S440 PolarHBondContact O-OG 3.27Å
411	L	96.3	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-37.3	172.8	-70.2	168.1	0	0	0	112	I35 L86 L91 V144 M407 A408 M414 Q415 I432 L437	I35-L411 HydrophobicContact CD1-CD1 4.12Å; I35-L411 HydrophobicContact CD1-CD2 4.19Å; I35-L411 HydrophobicContact CG2-CD1 4.26Å; L86-L411 HydrophobicContact CD1-CB 4.25Å; L86-L411 HydrophobicContact CD2-CB 3.94Å; L91-L411 HydrophobicContact CD2-CD1 3.99Å; V144-L411 HydrophobicContact CG1-CD1 4.39Å; V144-L411 HydrophobicContact CG1-CD2 4.41Å; V144-L411 HydrophobicContact CG2-CD2 4.3Å; M407-L411 HydrophobicContact CG-CD1 4.3Å; M407-L411 WeakPolarHBondContact O-CG 3.34Å; M407-L411 PolarHBondContact O-N 3.48Å; A408-L411 PolarHBondContact O-N 2.81Å; L411-M414 WeakPolarHBondContact O-CB 3.22Å; L411-M414 PolarHBondContact O-N 3.07Å; L411-Q415 PolarHBondContact O-N 3.17Å; L411-I432 HydrophobicContact CD2-CD1 4.2Å; L411-L437 HydrophobicContact CD2-CD1 3.85Å; L411-L437 HydrophobicContact CD2-CD2 4.14Å; L411-L437 HydrophobicContact CG-CD1 4.19Å
412	H	95.7	Very high	95	Very high	33 Å²	33	35.8 Å²	35.8	15%	0.153	21%	0.207	C	C	.	.	H	α-helix	trans	-70.3	-43.2	178	-176.1	65.4	0	0	0	112.1	L85 L86 A408 Y409 M414 Q415 M416	L85-H412 HydrophobicContact CD1-CB 3.65Å; L86-H412 HydrophobicContact CD2-CB 3.97Å; L86-H412 HydrophobicContact CG-CB 4.12Å; L86-H412 PolarHBondContact N-ND1 2.63Å; A408-H412 WeakPolarHBondContact O-CB 3.22Å; A408-H412 PolarHBondContact O-N 3.4Å; Y409-H412 PolarHBondContact O-N 3.12Å; H412-M414 PolarHBondContact O-N 3.17Å; H412-Q415 WeakPolarHBondContact O-CB 3.5Å; H412-Q415 PolarHBondContact O-N 3.02Å; H412-Q415 VanDerWaalsContact O-N 3.08Å; H412-M416 WeakPolarHBondContact O-CG 3.33Å; H412-M416 PolarHBondContact O-N 3.37Å
413	N	95.5	Very high	94.7	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	-60	-35.5	171.7	-75.2	-5.2	0	0	0	111.3	Y409 S417 S440	Y409-N413 VanDerWaalsContact O-CB 3.3Å; Y409-N413 WeakPolarHBondContact O-CB 3.43Å; Y409-N413 VanDerWaalsContact O-CG 3.25Å; Y409-N413 PolarHBondContact O-N 2.83Å; N413-S417 WeakPolarHBondContact O-CB 3.16Å; N413-S417 PolarHBondContact O-N 3.38Å; N413-S417 VanDerWaalsContact O-N 3.07Å; N413-S440 VanDerWaalsContact CB-OG 3.24Å; N413-S440 WeakPolarHBondContact CB-OG 3.48Å
414	M	94.9	Very high	94.3	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-46.5	170.4	-176.6	-176.6	-65.3	0	0	111.8	G410 L411 H412 M416 S417 L418 M429 I432 K436 L437 S440	G410-M414 PolarHBondContact O-N 3.06Å; L411-M414 WeakPolarHBondContact O-CB 3.22Å; L411-M414 PolarHBondContact O-N 3.07Å; H412-M414 PolarHBondContact O-N 3.17Å; M414-M416 VanDerWaalsContact C-N 3.33Å; M414-M416 PolarHBondContact O-N 2.94Å; M414-S417 PolarHBondContact O-N 3.08Å; M414-L418 HydrophobicContact CG-CD1 3.48Å; M414-L418 VanDerWaalsContact CG-CD1 3.48Å; M414-L418 HydrophobicContact CG-CG 3.92Å; M414-L418 WeakPolarHBondContact O-CB 3.27Å; M414-L418 PolarHBondContact O-N 3.45Å; M414-L418 HydrophobicContact SD-CD1 3.87Å; M414-M429 HydrophobicContact CB-CE 4.35Å; M414-M429 HydrophobicContact CG-CE 4Å; M414-M429 HydrophobicContact CG-CG 4.36Å; M414-M429 HydrophobicContact CG-SD 4.18Å; M414-M429 HydrophobicContact SD-CE 3.8Å; M414-M429 HydrophobicContact SD-CG 4.07Å; M414-M429 HydrophobicContact SD-SD 4.38Å; M414-I432 HydrophobicContact CE-CG2 3.93Å; M414-I432 HydrophobicContact SD-CG2 3.8Å; M414-K436 VanDerWaalsContact CE-C 3.46Å; M414-K436 HydrophobicContact CE-CB 3.81Å; M414-L437 HydrophobicContact CE-CB 3.61Å; M414-L437 HydrophobicContact CE-CD1 4.1Å; M414-L437 HydrophobicContact CE-CG 4.42Å; M414-S440 PolarHBondContact N-OG 2.86Å
415	Q	94.9	Very high	94	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-46.5	176.7	-173.8	-164.1	-1.3	0	0	111.1	I89 L411 H412 S417 C419 Y422 M429	I89-Q415 HydrophobicContact CD1-CG 4.3Å; L411-Q415 PolarHBondContact O-N 3.17Å; H412-Q415 WeakPolarHBondContact O-CB 3.5Å; H412-Q415 PolarHBondContact O-N 3.02Å; H412-Q415 VanDerWaalsContact O-N 3.08Å; Q415-S417 VanDerWaalsContact C-N 3.3Å; Q415-S417 PolarHBondContact O-N 3.46Å; Q415-C419 HydrophobicContact CG-CB 4.33Å; Q415-C419 CarbonylContact O-C 3.52Å; Q415-C419 WeakPolarHBondContact O-CA 3.33Å; Q415-C419 WeakPolarHBondContact O-CB 3.35Å; Q415-C419 PolarHBondContact O-N 2.68Å; Q415-Y422 PolarHBondContact NE2-O 3.09Å; Q415-M429 HydrophobicContact CB-SD 4.3Å
416	M	93.4	Very high	93.8	Very high	85 Å²	85	39.4 Å²	39.4	42%	0.419	24%	0.239	S	C	.	.	H	α-helix	trans	-66.3	-30.8	179.1	-65.2	-58	100.3	0	0	112.8	H412 M414	H412-M416 WeakPolarHBondContact O-CG 3.33Å; H412-M416 PolarHBondContact O-N 3.37Å; M414-M416 VanDerWaalsContact C-N 3.33Å; M414-M416 PolarHBondContact O-N 2.94Å
417	S	94.2	Very high	93.5	Very high	94 Å²	94	45.2 Å²	45.2	66%	0.657	27%	0.27	S	S	*	.	H	α-helix	trans	-84.4	-37.6	-179.4	-172.6	0	0	0	0	113.9	N413 M414 Q415	N413-S417 WeakPolarHBondContact O-CB 3.16Å; N413-S417 PolarHBondContact O-N 3.38Å; N413-S417 VanDerWaalsContact O-N 3.07Å; M414-S417 PolarHBondContact O-N 3.08Å; Q415-S417 VanDerWaalsContact C-N 3.3Å; Q415-S417 PolarHBondContact O-N 3.46Å
418	L	94.4	Very high	93.1	Very high	48 Å²	48	47.8 Å²	47.8	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-102.8	-26.2	-175.3	-59	-173.4	0	0	0	114.2	M414 A428 M429 K436	M414-L418 HydrophobicContact CG-CD1 3.48Å; M414-L418 VanDerWaalsContact CG-CD1 3.48Å; M414-L418 HydrophobicContact CG-CG 3.92Å; M414-L418 WeakPolarHBondContact O-CB 3.27Å; M414-L418 PolarHBondContact O-N 3.45Å; M414-L418 HydrophobicContact SD-CD1 3.87Å; L418-A428 HydrophobicContact CB-CB 4.22Å; L418-M429 HydrophobicContact CB-CG 4.42Å; L418-M429 HydrophobicContact CD1-CG 4.19Å; L418-K436 HydrophobicContact CD1-CD 3.91Å; L418-K436 HydrophobicContact CD2-CD 4.43Å
419	C	94.2	Very high	92.8	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.027	29%	0.292	C	S	.	.	S	Bend	trans	-125.3	47.8	-178.2	-56.2	0	0	0	0	112	Q415 G421 Y422 C426	Q415-C419 HydrophobicContact CG-CB 4.33Å; Q415-C419 CarbonylContact O-C 3.52Å; Q415-C419 WeakPolarHBondContact O-CA 3.33Å; Q415-C419 WeakPolarHBondContact O-CB 3.35Å; Q415-C419 PolarHBondContact O-N 2.68Å; C419-G421 PolarHBondContact O-N 2.76Å; C419-Y422 WeakPolarHBondContact O-CB 3.01Å; C419-Y422 PolarHBondContact O-N 2.96Å; C419-C426 VanDerWaalsContact CA-SG 3.53Å; C419-C426 HydrophobicContact CB-CB 3.75Å; C419-C426 WeakPolarHBondContact CB-SG 3.49Å; C419-C426 WeakPolarHBondContact SG-CB 3.4Å; C419-C426 PolarHBondContact SG-N 2.84Å; C419-C426 CovalentContact SG-SG 2.03Å; C419-C426 PolarHBondContact SG-SG 2.83Å
420	P	92.1	Very high	92.4	Very high	99 Å²	99	49.8 Å²	49.8	64%	0.643	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	126.6	-174.1	25.7	-35.3	0	0	0	111.8	Y422	P420-Y422 VanDerWaalsContact C-N 3.31Å; P420-Y422 PolarHBondContact O-N 2.8Å
421	G	86.8	Confident	91.9	Very high	90 Å²	90	55.2 Å²	55.2	93%	0.928	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	5.1	-178.3	0	0	0	0	0	115.5	C419	C419-G421 PolarHBondContact O-N 2.76Å
422	Y	90.9	Very high	91.6	Very high	121 Å²	121	57 Å²	57	48%	0.475	35%	0.345	S	S	.	.			trans	-107.9	125.8	179.1	-171.8	-87.5	0	0	0	111.9	Q415 C419 P420 G424 C426	Q415-Y422 PolarHBondContact NE2-O 3.09Å; C419-Y422 WeakPolarHBondContact O-CB 3.01Å; C419-Y422 PolarHBondContact O-N 2.96Å; P420-Y422 VanDerWaalsContact C-N 3.31Å; P420-Y422 PolarHBondContact O-N 2.8Å; Y422-G424 WeakPolarHBondContact CD1-O 3.43Å; Y422-C426 HydrophobicContact CD1-CB 3.93Å; Y422-C426 HydrophobicContact CE1-CB 4.22Å; Y422-C426 HydrophobicContact CG-CB 4.19Å
423	A	88.8	Confident	91.3	Very high	58 Å²	58	57.6 Å²	57.6	48%	0.479	35%	0.35	S	S	.	.	S	Bend	trans	-88.5	109.8	176.1	0	0	0	0	0	110.3	N88	N88-A423 HydrophobicContact CB-CB 4.1Å; N88-A423 PolarHBondContact ND2-O 3.22Å
424	G	90.1	Very high	91.2	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.031	34%	0.339	C	S	.	.	S	Bend	trans	112.9	-169.6	-174.1	0	0	0	0	0	113.3	P87 N88 Y422	P87-G424 PolarHBondContact O-N 2.85Å; N88-G424 VanDerWaalsContact O-CA 3.29Å; N88-G424 WeakPolarHBondContact O-CA 3.46Å; Y422-G424 WeakPolarHBondContact CD1-O 3.43Å
425	L	90.1	Very high	91.2	Very high	34 Å²	34	61.3 Å²	61.3	18%	0.178	36%	0.362	C	S	.	.			trans	-83.5	114.3	176	-69.3	170.4	0	0	0	111.2	D34 I35 I89 M429 K430	D34-L425 HydrophobicContact CB-CD1 4.38Å; I35-L425 HydrophobicContact CD1-CD2 4.18Å; I35-L425 HydrophobicContact CG1-CD1 4.08Å; I89-L425 HydrophobicContact CD1-CD2 4.13Å; I89-L425 HydrophobicContact CD1-CG 4.25Å; I89-L425 HydrophobicContact CG1-CG 4.37Å; L425-M429 HydrophobicContact CD2-CB 3.85Å; L425-M429 HydrophobicContact CD2-CE 3.66Å; L425-M429 HydrophobicContact CD2-SD 4.09Å; L425-K430 WeakPolarHBondContact O-CE 3.02Å; L425-K430 PolarHBondContact O-NZ 3.04Å
426	C	91.9	Very high	91.2	Very high	22 Å²	22	65.6 Å²	65.6	15%	0.149	38%	0.381	C	S	.	.			trans	-83	170.7	165.3	82.4	0	0	0	0	111	C419 Y422 A428 M429	C419-C426 VanDerWaalsContact CA-SG 3.53Å; C419-C426 HydrophobicContact CB-CB 3.75Å; C419-C426 WeakPolarHBondContact CB-SG 3.49Å; C419-C426 WeakPolarHBondContact SG-CB 3.4Å; C419-C426 PolarHBondContact SG-N 2.84Å; C419-C426 CovalentContact SG-SG 2.03Å; C419-C426 PolarHBondContact SG-SG 2.83Å; Y422-C426 HydrophobicContact CD1-CB 3.93Å; Y422-C426 HydrophobicContact CE1-CB 4.22Å; Y422-C426 HydrophobicContact CG-CB 4.19Å; C426-A428 PolarHBondContact O-N 3.09Å; C426-M429 PolarHBondContact O-N 2.65Å
427	D	90.8	Very high	91.3	Very high	123 Å²	123	61.6 Å²	61.6	66%	0.658	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-71.7	-18.7	-169.4	-52.2	-36.8	0	0	0	113.4	M429 K430	D427-M429 PolarHBondContact O-N 3.05Å; D427-M429 VanDerWaalsContact O-N 3.1Å; D427-K430 PolarHBondContact O-N 3.21Å; D427-K430 VanDerWaalsContact O-N 3.13Å; D427-K430 IonicContact OD1-NZ 3.59Å; D427-K430 PolarHBondContact OD1-NZ 3.49Å
428	A	90.3	Very high	91.4	Very high	53 Å²	53	57.8 Å²	57.8	44%	0.438	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-66.2	-5.9	169.6	0	0	0	0	0	114.3	L418 C426	L418-A428 HydrophobicContact CB-CB 4.22Å; C426-A428 PolarHBondContact O-N 3.09Å
429	M	90.8	Very high	91.5	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.015	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-121.1	21.3	175	-65	177.1	70.1	0	0	112.3	M414 Q415 L418 L425 C426 D427 P431 I432	M414-M429 HydrophobicContact CB-CE 4.35Å; M414-M429 HydrophobicContact CG-CE 4Å; M414-M429 HydrophobicContact CG-CG 4.36Å; M414-M429 HydrophobicContact CG-SD 4.18Å; M414-M429 HydrophobicContact SD-CE 3.8Å; M414-M429 HydrophobicContact SD-CG 4.07Å; M414-M429 HydrophobicContact SD-SD 4.38Å; Q415-M429 HydrophobicContact CB-SD 4.3Å; L418-M429 HydrophobicContact CB-CG 4.42Å; L418-M429 HydrophobicContact CD1-CG 4.19Å; L425-M429 HydrophobicContact CD2-CB 3.85Å; L425-M429 HydrophobicContact CD2-CE 3.66Å; L425-M429 HydrophobicContact CD2-SD 4.09Å; C426-M429 PolarHBondContact O-N 2.65Å; D427-M429 PolarHBondContact O-N 3.05Å; D427-M429 VanDerWaalsContact O-N 3.1Å; M429-P431 VanDerWaalsContact C-C 3.46Å; M429-P431 CarbonylContact C-O 3.28Å; M429-P431 VanDerWaalsContact C-O 3.25Å; M429-P431 CarbonylContact O-C 3.32Å; M429-I432 HydrophobicContact CB-CG1 4.15Å; M429-I432 HydrophobicContact CE-CD1 4.31Å; M429-I432 VanDerWaalsContact O-CG1 3.26Å; M429-I432 WeakPolarHBondContact O-CG1 3.18Å
430	K	87.1	Confident	91.6	Very high	108 Å²	108	61.9 Å²	61.9	47%	0.47	35%	0.353	S	S	.	.	S	Bend	trans	-128	95.8	178.4	-62.5	174.6	-159.4	154.2	0	110.9	L425 D427	L425-K430 WeakPolarHBondContact O-CE 3.02Å; L425-K430 PolarHBondContact O-NZ 3.04Å; D427-K430 PolarHBondContact O-N 3.21Å; D427-K430 VanDerWaalsContact O-N 3.13Å; D427-K430 IonicContact OD1-NZ 3.59Å; D427-K430 PolarHBondContact OD1-NZ 3.49Å
431	P	87.1	Confident	91.8	Very high	113 Å²	113	57.1 Å²	57.1	73%	0.734	32%	0.322	S	S	*	.	S	Bend	cis	-73.8	175	-8	32.9	-36.5	0	0	0	113	M429	M429-P431 VanDerWaalsContact C-C 3.46Å; M429-P431 CarbonylContact C-O 3.28Å; M429-P431 VanDerWaalsContact C-O 3.25Å; M429-P431 CarbonylContact O-C 3.32Å
432	I	90.4	Very high	92.2	Very high	37 Å²	37	55.1 Å²	55.1	19%	0.19	29%	0.289	C	S	.	.			trans	-85.9	123.7	176.2	-62.5	175.2	0	0	0	109.7	I35 V144 L411 M414 M429 G434	I35-I432 HydrophobicContact CD1-CD1 4Å; I35-I432 HydrophobicContact CG1-CD1 4.27Å; I35-I432 HydrophobicContact CG2-CD1 4.34Å; V144-I432 HydrophobicContact CG2-CB 3.82Å; V144-I432 HydrophobicContact CG2-CD1 3.73Å; V144-I432 HydrophobicContact CG2-CG1 4.34Å; V144-I432 HydrophobicContact CG2-CG2 3.64Å; L411-I432 HydrophobicContact CD2-CD1 4.2Å; M414-I432 HydrophobicContact CE-CG2 3.93Å; M414-I432 HydrophobicContact SD-CG2 3.8Å; M429-I432 HydrophobicContact CB-CG1 4.15Å; M429-I432 HydrophobicContact CE-CD1 4.31Å; M429-I432 VanDerWaalsContact O-CG1 3.26Å; M429-I432 WeakPolarHBondContact O-CG1 3.18Å; I432-G434 PolarHBondContact O-N 3.27Å
433	D	89.6	Confident	92.3	Very high	46 Å²	46	56.9 Å²	56.9	25%	0.246	30%	0.299	C	S	.	.			trans	-79.9	112.6	173.7	-175.4	-15.8	0	0	0	110.9	R435 K436 L437	D433-R435 PolarHBondContact O-N 2.96Å; D433-R435 VanDerWaalsContact O-N 3.14Å; D433-R435 VanDerWaalsContact OD1-CB 3.27Å; D433-R435 WeakPolarHBondContact OD1-CB 3.48Å; D433-R435 IonicContact OD1-CZ 3.22Å; D433-R435 PolarHBondContact OD1-N 2.62Å; D433-R435 IonicContact OD1-NE 3.84Å; D433-R435 PolarHBondContact OD1-NE 2.82Å; D433-R435 IonicContact OD1-NH2 3.5Å; D433-R435 IonicContact OD2-CZ 2.74Å; D433-R435 IonicContact OD2-NE 2.9Å; D433-R435 PolarHBondContact OD2-NE 2.84Å; D433-R435 IonicContact OD2-NH2 2.66Å; D433-R435 PolarHBondContact OD2-NH2 3.31Å; D433-K436 HydrophobicContact CB-CD 4.35Å; D433-K436 HydrophobicContact CB-CG 4.24Å; D433-K436 WeakPolarHBondContact O-CB 3.32Å; D433-K436 PolarHBondContact O-N 3.26Å; D433-L437 PolarHBondContact O-N 3.42Å; D433-L437 VanDerWaalsContact O-N 3.1Å
434	G	92.9	Very high	92.5	Very high	11 Å²	11	54.3 Å²	54.3	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-22	179.8	0	0	0	0	0	115	N166 I432 L437 L438	N166-G434 WeakPolarHBondContact O-CA 3.41Å; I432-G434 PolarHBondContact O-N 3.27Å; G434-L437 PolarHBondContact O-N 3.37Å; G434-L438 PolarHBondContact O-N 2.93Å
435	R	94.3	Very high	92.7	Very high	134 Å²	134	59 Å²	59	51%	0.506	30%	0.302	S	S	.	.	H	α-helix	trans	-66.6	-46	171.9	-64.5	170.7	-62.3	-178.5	5	111.3	Y187 D433 L437 L438 E439	Y187-R435 WeakPolarHBondContact OH-CG 3.48Å; D433-R435 PolarHBondContact O-N 2.96Å; D433-R435 VanDerWaalsContact O-N 3.14Å; D433-R435 VanDerWaalsContact OD1-CB 3.27Å; D433-R435 WeakPolarHBondContact OD1-CB 3.48Å; D433-R435 IonicContact OD1-CZ 3.22Å; D433-R435 PolarHBondContact OD1-N 2.62Å; D433-R435 IonicContact OD1-NE 3.84Å; D433-R435 PolarHBondContact OD1-NE 2.82Å; D433-R435 IonicContact OD1-NH2 3.5Å; D433-R435 IonicContact OD2-CZ 2.74Å; D433-R435 IonicContact OD2-NE 2.9Å; D433-R435 PolarHBondContact OD2-NE 2.84Å; D433-R435 IonicContact OD2-NH2 2.66Å; D433-R435 PolarHBondContact OD2-NH2 3.31Å; R435-L437 VanDerWaalsContact C-N 3.26Å; R435-L437 PolarHBondContact O-N 3.45Å; R435-L438 PolarHBondContact O-N 3.48Å; R435-E439 PolarHBondContact O-N 3.03Å
436	K	94.9	Very high	92.8	Very high	92 Å²	92	57.8 Å²	57.8	40%	0.4	30%	0.295	S	S	.	.	H	α-helix	trans	-66.4	-31.8	175	-62	-175.4	-176.1	176.7	0	111.2	M414 L418 D433 S440	M414-K436 VanDerWaalsContact CE-C 3.46Å; M414-K436 HydrophobicContact CE-CB 3.81Å; L418-K436 HydrophobicContact CD1-CD 3.91Å; L418-K436 HydrophobicContact CD2-CD 4.43Å; D433-K436 HydrophobicContact CB-CD 4.35Å; D433-K436 HydrophobicContact CB-CG 4.24Å; D433-K436 WeakPolarHBondContact O-CB 3.32Å; D433-K436 PolarHBondContact O-N 3.26Å; K436-S440 WeakPolarHBondContact O-CB 3.39Å; K436-S440 PolarHBondContact O-N 2.03Å
437	L	96.3	Very high	92.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.3	-43.9	175.2	-173.2	52.4	0	0	0	111.2	V144 P168 M407 L411 M414 D433 G434 R435 S440 L441	V144-L437 HydrophobicContact CG1-CD2 4.36Å; V144-L437 HydrophobicContact CG2-CD2 3.77Å; P168-L437 HydrophobicContact CG-CB 4.35Å; P168-L437 HydrophobicContact CG-CD2 3.75Å; P168-L437 HydrophobicContact CG-CG 3.97Å; M407-L437 HydrophobicContact SD-CD2 4.27Å; L411-L437 HydrophobicContact CD2-CD1 3.85Å; L411-L437 HydrophobicContact CD2-CD2 4.14Å; L411-L437 HydrophobicContact CG-CD1 4.19Å; M414-L437 HydrophobicContact CE-CB 3.61Å; M414-L437 HydrophobicContact CE-CD1 4.1Å; M414-L437 HydrophobicContact CE-CG 4.42Å; D433-L437 PolarHBondContact O-N 3.42Å; D433-L437 VanDerWaalsContact O-N 3.1Å; G434-L437 PolarHBondContact O-N 3.37Å; R435-L437 VanDerWaalsContact C-N 3.26Å; R435-L437 PolarHBondContact O-N 3.45Å; L437-S440 WeakPolarHBondContact O-CB 3.3Å; L437-S440 PolarHBondContact O-N 3.39Å; L437-L441 HydrophobicContact CD1-CD1 4.22Å; L437-L441 HydrophobicContact CD1-CG 4.12Å; L437-L441 HydrophobicContact CG-CD1 3.89Å; L437-L441 HydrophobicContact CG-CG 4.3Å; L437-L441 WeakPolarHBondContact O-CB 3.24Å; L437-L441 VanDerWaalsContact O-CG 3.25Å; L437-L441 WeakPolarHBondContact O-CG 3.48Å; L437-L441 PolarHBondContact O-N 2.79Å
438	L	96.3	Very high	92.7	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-47.1	172.6	-176.9	68.1	0	0	0	111.8	K186 Y187 M189 G434 R435 S440 L441 M442	K186-L438 HydrophobicContact CG-CD2 3.96Å; K186-L438 WeakPolarHBondContact O-CD2 3.16Å; Y187-L438 HydrophobicContact CD1-CB 4.28Å; Y187-L438 HydrophobicContact CD1-CD1 4.49Å; Y187-L438 HydrophobicContact CD1-CD2 3.86Å; Y187-L438 HydrophobicContact CD1-CG 4.44Å; Y187-L438 HydrophobicContact CE1-CB 4.17Å; Y187-L438 HydrophobicContact CE1-CD2 3.87Å; M189-L438 HydrophobicContact CG-CD1 4.35Å; M189-L438 HydrophobicContact SD-CD1 3.95Å; G434-L438 PolarHBondContact O-N 2.93Å; R435-L438 PolarHBondContact O-N 3.48Å; L438-S440 PolarHBondContact O-N 3.45Å; L438-L441 PolarHBondContact O-N 3.25Å; L438-M442 HydrophobicContact CD1-CG 4.12Å; L438-M442 HydrophobicContact CG-CG 4.31Å; L438-M442 WeakPolarHBondContact O-CB 3.25Å; L438-M442 VanDerWaalsContact O-CG 3.25Å; L438-M442 WeakPolarHBondContact O-CG 3.45Å; L438-M442 PolarHBondContact O-N 3.37Å
439	E	95.5	Very high	92.6	Very high	122 Å²	122	55.6 Å²	55.6	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-61.4	-29.7	176.8	-75.2	179.8	-152	0	0	113.9	R435 K443	R435-E439 PolarHBondContact O-N 3.03Å; E439-K443 WeakPolarHBondContact O-CD 3.49Å
440	S	96.6	Very high	92	Very high	16 Å²	16	57.3 Å²	57.3	11%	0.112	29%	0.294	C	S	.	.	H	α-helix	trans	-76.6	-48.3	174.4	-169.6	0	0	0	0	111.4	G410 N413 M414 K436 L437 L438 K443 T444	G410-S440 WeakPolarHBondContact O-CB 3.43Å; G410-S440 PolarHBondContact O-OG 3.27Å; N413-S440 VanDerWaalsContact CB-OG 3.24Å; N413-S440 WeakPolarHBondContact CB-OG 3.48Å; M414-S440 PolarHBondContact N-OG 2.86Å; K436-S440 WeakPolarHBondContact O-CB 3.39Å; K436-S440 PolarHBondContact O-N 2.03Å; L437-S440 WeakPolarHBondContact O-CB 3.3Å; L437-S440 PolarHBondContact O-N 3.39Å; L438-S440 PolarHBondContact O-N 3.45Å; S440-K443 CarbonylContact O-C 3.25Å; S440-K443 PolarHBondContact O-N 3.48Å; S440-K443 VanDerWaalsContact O-N 3.12Å; S440-T444 PolarHBondContact O-N 2.99Å
441	L	96.4	Very high	91.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-47.3	-179.3	-75.5	168.9	0	0	0	112.2	P168 I170 M189 S406 M407 L437 L438 K443 T444	P168-L441 HydrophobicContact CB-CD1 3.98Å; P168-L441 HydrophobicContact CG-CD1 4.15Å; I170-L441 HydrophobicContact CD1-CD1 4.39Å; I170-L441 HydrophobicContact CD1-CD2 3.94Å; M189-L441 HydrophobicContact CE-CB 3.95Å; M189-L441 HydrophobicContact SD-CB 3.57Å; M189-L441 VanDerWaalsContact SD-CB 3.57Å; M189-L441 HydrophobicContact SD-CD1 4.3Å; S406-L441 VanDerWaalsContact O-CD2 3.31Å; S406-L441 WeakPolarHBondContact O-CD2 3.48Å; M407-L441 HydrophobicContact SD-CD1 4.33Å; L437-L441 HydrophobicContact CD1-CD1 4.22Å; L437-L441 HydrophobicContact CD1-CG 4.12Å; L437-L441 HydrophobicContact CG-CD1 3.89Å; L437-L441 HydrophobicContact CG-CG 4.3Å; L437-L441 WeakPolarHBondContact O-CB 3.24Å; L437-L441 VanDerWaalsContact O-CG 3.25Å; L437-L441 WeakPolarHBondContact O-CG 3.48Å; L437-L441 PolarHBondContact O-N 2.79Å; L438-L441 PolarHBondContact O-N 3.25Å; L441-K443 PolarHBondContact O-N 3.21Å; L441-T444 WeakPolarHBondContact O-CB 3.47Å; L441-T444 PolarHBondContact O-N 3.49Å; L441-T444 PolarHBondContact O-OG1 3.08Å
442	M	94.9	Very high	91.6	Very high	48 Å²	48	51.7 Å²	51.7	24%	0.236	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-11	177.5	-69.1	-67	-61.1	0	0	113.7	M189 L438 D457	M189-M442 HydrophobicContact CE-CG 4.24Å; M189-M442 HydrophobicContact CE-SD 3.65Å; M189-M442 HydrophobicContact CG-SD 4.03Å; M189-M442 HydrophobicContact SD-CG 4.17Å; M189-M442 HydrophobicContact SD-SD 3.81Å; L438-M442 HydrophobicContact CD1-CG 4.12Å; L438-M442 HydrophobicContact CG-CG 4.31Å; L438-M442 WeakPolarHBondContact O-CB 3.25Å; L438-M442 VanDerWaalsContact O-CG 3.25Å; L438-M442 WeakPolarHBondContact O-CG 3.45Å; L438-M442 PolarHBondContact O-N 3.37Å; M442-D457 WeakPolarHBondContact CE-O 3.35Å
443	K	94.2	Very high	91.5	Very high	157 Å²	157	55.8 Å²	55.8	68%	0.683	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	11.1	177.5	-62.7	171.4	-171.3	155.9	0	112.7	E439 S440 L441	E439-K443 WeakPolarHBondContact O-CD 3.49Å; S440-K443 CarbonylContact O-C 3.25Å; S440-K443 PolarHBondContact O-N 3.48Å; S440-K443 VanDerWaalsContact O-N 3.12Å; L441-K443 PolarHBondContact O-N 3.21Å
444	T	92.8	Very high	91.6	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.025	29%	0.287	C	S	.	.			trans	-70.6	140.2	173.4	53.5	0	0	0	0	111.1	S440 L441 F456	S440-T444 PolarHBondContact O-N 2.99Å; L441-T444 WeakPolarHBondContact O-CB 3.47Å; L441-T444 PolarHBondContact O-N 3.49Å; L441-T444 PolarHBondContact O-OG1 3.08Å; T444-F456 WeakPolarHBondContact OG1-CE2 3.21Å
445	N	93.8	Very high	91.5	Very high	101 Å²	101	56.8 Å²	56.8	54%	0.54	30%	0.298	S	S	.	.			trans	-144.1	122.3	170.8	179.4	-4.9	0	0	0	107	I454	N445-I454 WeakPolarHBondContact CA-O 3.23Å
446	F	93	Very high	91.5	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.044	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	158.7	-179.2	65.8	-80.5	0	0	0	110.7	N402 Y409 G448 I454	N402-F446 WeakPolarHBondContact O-CZ 3.44Å; Y409-F446 HydrophobicContact CD1-CB 4.36Å; Y409-F446 HydrophobicContact CD2-CB 3.63Å; Y409-F446 AromaticContact CD2-CD1 3.81Å; Y409-F446 HydrophobicContact CD2-CD1 3.81Å; Y409-F446 AromaticContact CD2-CD2 3.68Å; Y409-F446 HydrophobicContact CD2-CD2 3.68Å; Y409-F446 HydrophobicContact CD2-CE1 4.42Å; Y409-F446 HydrophobicContact CD2-CE2 4.3Å; Y409-F446 AromaticContact CD2-CG 3.41Å; Y409-F446 HydrophobicContact CD2-CG 3.41Å; Y409-F446 VanDerWaalsContact CD2-CG 3.41Å; Y409-F446 HydrophobicContact CE1-CB 4.26Å; Y409-F446 HydrophobicContact CE2-CB 3.53Å; Y409-F446 HydrophobicContact CE2-CD1 4.45Å; Y409-F446 AromaticContact CE2-CD2 3.59Å; Y409-F446 HydrophobicContact CE2-CD2 3.59Å; Y409-F446 HydrophobicContact CE2-CE2 4.44Å; Y409-F446 AromaticContact CE2-CG 3.6Å; Y409-F446 HydrophobicContact CE2-CG 3.6Å; Y409-F446 HydrophobicContact CG-CB 4.07Å; Y409-F446 HydrophobicContact CG-CD1 4.28Å; Y409-F446 HydrophobicContact CG-CG 4.14Å; F446-G448 PolarHBondContact O-N 2.87Å; F446-I454 HydrophobicContact CD1-CB 4.26Å; F446-I454 HydrophobicContact CE1-CB 3.76Å; F446-I454 HydrophobicContact CE1-CG1 4.47Å; F446-I454 HydrophobicContact CE1-CG2 3.77Å; F446-I454 HydrophobicContact CE2-CB 4.14Å; F446-I454 HydrophobicContact CE2-CG1 3.99Å; F446-I454 HydrophobicContact CZ-CB 3.69Å; F446-I454 HydrophobicContact CZ-CG1 3.91Å; F446-I454 HydrophobicContact CZ-CG2 3.78Å; F446-I454 PolarHBondContact N-O 3.04Å; F446-I454 PolarHBondContact O-N 3.5Å
447	T	92.3	Very high	91.4	Very high	95 Å²	95	50 Å²	50	58%	0.583	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.4	171	51.2	0	0	0	0	110.3	D452	T447-D452 CarbonylContact C-O 3.57Å; T447-D452 WeakPolarHBondContact CA-O 3.21Å
448	G	87.3	Confident	91.2	Very high	9 Å²	9	58.5 Å²	58.5	9%	0.093	32%	0.315	C	S	.	.			trans	-73.2	179.5	173.6	0	0	0	0	0	113	N402 F446 S450 G451 D452	N402-G448 VanDerWaalsContact OD1-CA 3.25Å; N402-G448 WeakPolarHBondContact OD1-CA 3.43Å; F446-G448 PolarHBondContact O-N 2.87Å; G448-S450 PolarHBondContact O-N 2.98Å; G448-S450 VanDerWaalsContact O-N 3.09Å; G448-G451 PolarHBondContact O-N 2.69Å; G448-D452 PolarHBondContact N-O 3.4Å
449	V	88.2	Confident	91.1	Very high	47 Å²	47	61 Å²	61	29%	0.285	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.9	-174.8	-63.4	0	0	0	0	114.5	V334 I401 N402 Y405 G451	V334-V449 HydrophobicContact CG2-CG2 4.27Å; I401-V449 HydrophobicContact CB-CG1 4.22Å; I401-V449 HydrophobicContact CG2-CG1 3.49Å; I401-V449 VanDerWaalsContact CG2-CG1 3.49Å; N402-V449 PolarHBondContact OD1-N 3.23Å; Y405-V449 HydrophobicContact CE2-CG1 4.33Å; V449-G451 VanDerWaalsContact C-N 3.26Å; V449-G451 PolarHBondContact O-N 3.32Å
450	S	78.8	Confident	90.9	Very high	39 Å²	39	55.2 Å²	55.2	27%	0.273	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-12.5	175.7	-42.1	0	0	0	0	113.9	P332 G448 D452	P332-S450 VanDerWaalsContact CD-OG 3.31Å; P332-S450 WeakPolarHBondContact CD-OG 3.38Å; G448-S450 PolarHBondContact O-N 2.98Å; G448-S450 VanDerWaalsContact O-N 3.09Å; S450-D452 VanDerWaalsContact C-N 3.26Å; S450-D452 WeakPolarHBondContact CB-OD2 3.3Å
451	G	83.2	Confident	90.7	Very high	55 Å²	55	55 Å²	55	57%	0.567	30%	0.299	S	S	*	.	S	Bend	trans	85.6	-5.5	-163.1	0	0	0	0	0	113.8	G448 V449	G448-G451 PolarHBondContact O-N 2.69Å; V449-G451 VanDerWaalsContact C-N 3.26Å; V449-G451 PolarHBondContact O-N 3.32Å
452	D	82	Confident	90.4	Very high	48 Å²	48	55.5 Å²	55.5	26%	0.257	30%	0.303	S	S	.	.			trans	-77.4	146.3	-179.6	-67.8	-42.7	0	0	0	112.9	T447 G448 S450 I454 R465	T447-D452 CarbonylContact C-O 3.57Å; T447-D452 WeakPolarHBondContact CA-O 3.21Å; G448-D452 PolarHBondContact N-O 3.4Å; S450-D452 VanDerWaalsContact C-N 3.26Å; S450-D452 WeakPolarHBondContact CB-OD2 3.3Å; D452-I454 PolarHBondContact O-N 3.04Å; D452-R465 IonicContact OD1-CZ 2.81Å; D452-R465 IonicContact OD1-NH1 3.68Å; D452-R465 PolarHBondContact OD1-NH1 3.02Å; D452-R465 IonicContact OD2-NH1 2.83Å; D452-R465 PolarHBondContact OD2-NH1 3.48Å
453	M	88.4	Confident	89.9	Confident	124 Å²	124	55.6 Å²	55.6	61%	0.611	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	114.6	171.2	-62.1	-169.7	-56	0	0	110
454	I	91.1	Very high	89.2	Confident	10 Å²	10	48.1 Å²	48.1	5%	0.051	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121	169.6	-54.3	-57.5	0	0	0	107.9	V191 N402 N445 F446 D452	V191-I454 HydrophobicContact CG1-CG2 4.18Å; N402-I454 HydrophobicContact CB-CG1 4.44Å; N445-I454 WeakPolarHBondContact CA-O 3.23Å; F446-I454 HydrophobicContact CD1-CB 4.26Å; F446-I454 HydrophobicContact CE1-CB 3.76Å; F446-I454 HydrophobicContact CE1-CG1 4.47Å; F446-I454 HydrophobicContact CE1-CG2 3.77Å; F446-I454 HydrophobicContact CE2-CB 4.14Å; F446-I454 HydrophobicContact CE2-CG1 3.99Å; F446-I454 HydrophobicContact CZ-CB 3.69Å; F446-I454 HydrophobicContact CZ-CG1 3.91Å; F446-I454 HydrophobicContact CZ-CG2 3.78Å; F446-I454 PolarHBondContact N-O 3.04Å; F446-I454 PolarHBondContact O-N 3.5Å; D452-I454 PolarHBondContact O-N 3.04Å
455	L	92.1	Very high	89	Confident	67 Å²	67	52.4 Å²	52.4	35%	0.351	29%	0.29	S	S	.	.			trans	-139.2	158.7	175.7	66.9	89.5	0	0	0	108.8	P463	L455-P463 HydrophobicContact CD1-CG 4.14Å; L455-P463 HydrophobicContact CG-CG 4.21Å
456	F	93.6	Very high	88.9	Confident	19 Å²	19	47.6 Å²	47.6	8%	0.083	27%	0.265	C	S	.	.			trans	-115.1	145.4	173.9	-57.4	-72.6	0	0	0	110.5	M189 R190 V191 S406 T444 G460 D461	M189-F456 HydrophobicContact CE-CB 4.21Å; M189-F456 HydrophobicContact CE-CD1 3.92Å; M189-F456 HydrophobicContact CE-CD2 3.29Å; M189-F456 HydrophobicContact CE-CE1 4.07Å; M189-F456 HydrophobicContact CE-CE2 3.46Å; M189-F456 VanDerWaalsContact CE-CE2 3.46Å; M189-F456 HydrophobicContact CE-CG 3.52Å; M189-F456 HydrophobicContact CE-CZ 3.85Å; R190-F456 WeakPolarHBondContact O-CE1 3.29Å; V191-F456 HydrophobicContact CG1-CE1 3.95Å; V191-F456 HydrophobicContact CG1-CZ 3.78Å; S406-F456 WeakPolarHBondContact OG-CE2 3.29Å; S406-F456 WeakPolarHBondContact OG-CZ 3.14Å; T444-F456 WeakPolarHBondContact OG1-CE2 3.21Å; F456-G460 WeakPolarHBondContact CD1-O 3.31Å; F456-D461 WeakPolarHBondContact CA-O 3.18Å
457	D	91.9	Very high	88.9	Confident	65 Å²	65	48.7 Å²	48.7	35%	0.348	27%	0.27	S	S	.	.			trans	-81.5	-175.7	167.3	81.6	-25.2	0	0	0	111.8	M442 N459 G460 D461	M442-D457 WeakPolarHBondContact CE-O 3.35Å; D457-N459 VanDerWaalsContact CG-N 3.34Å; D457-N459 PolarHBondContact O-N 2.87Å; D457-N459 VanDerWaalsContact O-N 3.17Å; D457-N459 VanDerWaalsContact OD1-CA 3.25Å; D457-N459 WeakPolarHBondContact OD1-CA 3.06Å; D457-N459 WeakPolarHBondContact OD1-CB 3.29Å; D457-N459 PolarHBondContact OD1-N 2.85Å; D457-N459 WeakPolarHBondContact OD2-CB 3.42Å; D457-N459 PolarHBondContact OD2-ND2 3.33Å; D457-G460 PolarHBondContact O-N 2.83Å; D457-G460 PolarHBondContact OD1-N 3.08Å; D457-D461 PolarHBondContact N-O 2.96Å; D457-D461 WeakPolarHBondContact OD1-CB 3.16Å; D457-D461 PolarHBondContact OD1-N 3.34Å
458	E	92.9	Very high	89	Confident	178 Å²	178	44.2 Å²	44.2	83%	0.832	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.6	175.8	-60.5	-174.6	168.6	0	0	112.9
459	N	93.4	Very high	89.4	Confident	68 Å²	68	44.5 Å²	44.5	36%	0.364	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.9	176.6	-51.5	-74.2	0	0	0	113.2	K182 D457 D461	K182-N459 WeakPolarHBondContact CE-O 3.18Å; K182-N459 PolarHBondContact NZ-O 2.87Å; D457-N459 VanDerWaalsContact CG-N 3.34Å; D457-N459 PolarHBondContact O-N 2.87Å; D457-N459 VanDerWaalsContact O-N 3.17Å; D457-N459 VanDerWaalsContact OD1-CA 3.25Å; D457-N459 WeakPolarHBondContact OD1-CA 3.06Å; D457-N459 WeakPolarHBondContact OD1-CB 3.29Å; D457-N459 PolarHBondContact OD1-N 2.85Å; D457-N459 WeakPolarHBondContact OD2-CB 3.42Å; D457-N459 PolarHBondContact OD2-ND2 3.33Å; N459-D461 PolarHBondContact O-N 3.4Å
460	G	92.4	Very high	89.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	68.9	18.5	178.7	0	0	0	0	0	114	R190 F456 D457	R190-G460 PolarHBondContact N-O 3.32Å; F456-G460 WeakPolarHBondContact CD1-O 3.31Å; D457-G460 PolarHBondContact O-N 2.83Å; D457-G460 PolarHBondContact OD1-N 3.08Å
461	D	92.9	Very high	90.4	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-102.4	139.2	-176.6	-70.6	-16.9	0	0	0	111	S180 R190 F456 D457 N459	S180-D461 PolarHBondContact OG-OD2 3.35Å; R190-D461 WeakPolarHBondContact CG-OD1 3.49Å; R190-D461 IonicContact CZ-OD1 3.22Å; R190-D461 IonicContact CZ-OD2 2.69Å; R190-D461 IonicContact NE-OD1 2.68Å; R190-D461 PolarHBondContact NE-OD1 2.69Å; R190-D461 IonicContact NE-OD2 3.7Å; R190-D461 VanDerWaalsContact NH2-CG 3.27Å; R190-D461 IonicContact NH2-OD1 3.13Å; R190-D461 PolarHBondContact NH2-OD1 3.06Å; R190-D461 IonicContact NH2-OD2 2.79Å; R190-D461 PolarHBondContact NH2-OD2 2.86Å; F456-D461 WeakPolarHBondContact CA-O 3.18Å; D457-D461 PolarHBondContact N-O 2.96Å; D457-D461 WeakPolarHBondContact OD1-CB 3.16Å; D457-D461 PolarHBondContact OD1-N 3.34Å; N459-D461 PolarHBondContact O-N 3.4Å
462	S	89.3	Confident	90.7	Very high	11 Å²	11	39.5 Å²	39.5	8%	0.077	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-78.9	141.8	170.4	-179.9	0	0	0	0	111	R190 P193	R190-S462 PolarHBondContact O-N 2.74Å; P193-S462 VanDerWaalsContact CA-O 3.31Å; P193-S462 WeakPolarHBondContact CA-O 3.39Å
463	P	85	Confident	91.1	Very high	51 Å²	51	41.8 Å²	41.8	33%	0.331	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-60.7	146.4	172.3	26.2	-34.8	0	0	0	111.7	L455	L455-P463 HydrophobicContact CD1-CG 4.14Å; L455-P463 HydrophobicContact CG-CG 4.21Å
464	G	79.1	Confident	91.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-99.1	133.9	-169.5	0	0	0	0	0	115.5
465	R	88.3	Confident	90.8	Very high	93 Å²	93	41.7 Å²	41.7	35%	0.351	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.7	168.1	-67.9	-177.7	178.1	152.4	-3.4	109.9	Q330 D452 W487 D488	Q330-R465 HydrophobicContact CB-CB 4.02Å; Q330-R465 PolarHBondContact N-O 2.98Å; D452-R465 IonicContact OD1-CZ 2.81Å; D452-R465 IonicContact OD1-NH1 3.68Å; D452-R465 PolarHBondContact OD1-NH1 3.02Å; D452-R465 IonicContact OD2-NH1 2.83Å; D452-R465 PolarHBondContact OD2-NH1 3.48Å; R465-W487 WeakPolarHBondContact CA-O 3.39Å; R465-D488 HydrophobicContact CG-CB 4.16Å; R465-D488 IonicContact CZ-OD2 3.65Å; R465-D488 IonicContact NE-OD1 2.68Å; R465-D488 IonicContact NE-OD2 3.71Å; R465-D488 PolarHBondContact NE-OD2 2.9Å; R465-D488 IonicContact NH2-OD2 2.72Å; R465-D488 PolarHBondContact NH2-OD2 2.67Å
466	Y	91.8	Very high	90.5	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.9	-179.4	-53.4	-74.2	0	0	0	110.9	P193 S194 Q197 Q198 A201 K328 L329 S486 W487	P193-Y466 HydrophobicContact CG-CE1 3.97Å; P193-Y466 VanDerWaalsContact CG-OH 3.31Å; P193-Y466 WeakPolarHBondContact CG-OH 3.42Å; S194-Y466 PolarHBondContact O-OH 2.97Å; Q197-Y466 HydrophobicContact CB-CE2 4.05Å; Q197-Y466 WeakPolarHBondContact CB-OH 3.4Å; Q198-Y466 HydrophobicContact CG-CE1 3.72Å; Q198-Y466 WeakPolarHBondContact CG-OH 3.31Å; Q198-Y466 PolarHBondContact N-OH 3.33Å; A201-Y466 HydrophobicContact CB-CD2 4.2Å; K328-Y466 CarbonylContact O-C 3.59Å; K328-Y466 WeakPolarHBondContact O-CA 3.42Å; K328-Y466 WeakPolarHBondContact O-CB 3.35Å; L329-Y466 HydrophobicContact CD2-CE1 4.15Å; L329-Y466 HydrophobicContact CG-CD1 4.32Å; L329-Y466 HydrophobicContact CG-CE1 4.12Å; Y466-S486 CarbonylContact O-C 3.52Å; Y466-S486 WeakPolarHBondContact O-CA 3.39Å; Y466-W487 HydrophobicContact CD2-CD2 4.3Å; Y466-W487 AromaticContact CD2-CE3 3.61Å; Y466-W487 HydrophobicContact CD2-CE3 3.61Å; Y466-W487 HydrophobicContact CD2-CZ3 4.13Å; Y466-W487 AromaticContact CE2-CE3 3.92Å; Y466-W487 HydrophobicContact CE2-CE3 3.92Å; Y466-W487 AromaticContact CE2-CZ3 3.95Å; Y466-W487 HydrophobicContact CE2-CZ3 3.95Å; Y466-W487 PolarHBondContact N-O 3.44Å; Y466-W487 PolarHBondContact O-N 2.8Å
467	E	93.1	Very high	90	Very high	33 Å²	33	50.7 Å²	50.7	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.1	163.1	-67.7	176.8	173.1	0	0	108	K328 Q330 M469	K328-E467 WeakPolarHBondContact CE-OE2 3.25Å; K328-E467 PolarHBondContact N-O 2.83Å; K328-E467 IonicContact NZ-OE2 3.72Å; K328-E467 PolarHBondContact NZ-OE2 2.65Å; K328-E467 PolarHBondContact O-N 2.95Å; Q330-E467 HydrophobicContact CB-CG 4.13Å; Q330-E467 HydrophobicContact CG-CG 4.19Å; Q330-E467 PolarHBondContact NE2-OE1 3.31Å; E467-M469 HydrophobicContact CB-SD 4.44Å
468	I	95.5	Very high	89.8	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118	-176	-55.1	171.9	0	0	0	106.9	I205 I325 I327 N483 V484 G485 W487 L492 M494	I205-I468 HydrophobicContact CD1-CD1 3.92Å; I205-I468 HydrophobicContact CD1-CG1 4.41Å; I205-I468 HydrophobicContact CD1-CG2 4.23Å; I205-I468 HydrophobicContact CG1-CD1 4.25Å; I325-I468 HydrophobicContact CG2-CG2 3.79Å; I327-I468 HydrophobicContact CG2-CG1 4.27Å; I468-N483 PolarHBondContact O-OD1 2.99Å; I468-V484 HydrophobicContact CB-CG2 4.39Å; I468-V484 HydrophobicContact CG2-CG2 4.03Å; I468-V484 WeakPolarHBondContact O-CG2 3.47Å; I468-V484 PolarHBondContact O-N 3.1Å; I468-G485 PolarHBondContact N-O 3Å; I468-G485 PolarHBondContact O-N 3.44Å; I468-W487 HydrophobicContact CD1-CB 4.45Å; I468-L492 HydrophobicContact CD1-CD1 3.26Å; I468-M494 HydrophobicContact CB-SD 3.76Å; I468-M494 HydrophobicContact CD1-CG 4.23Å; I468-M494 HydrophobicContact CD1-SD 3.43Å; I468-M494 WeakPolarHBondContact CD1-SD 3.31Å; I468-M494 HydrophobicContact CG1-SD 4.17Å; I468-M494 HydrophobicContact CG2-CE 3.95Å; I468-M494 HydrophobicContact CG2-SD 3.65Å
469	M	94.3	Very high	89.8	Confident	16 Å²	16	46.6 Å²	46.6	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.4	-173.5	-52.1	-61.1	-66.6	0	0	110.4	I325 T326 K328 E467 Y481 I482 N483	I325-M469 CarbonylContact C-O 3.48Å; I325-M469 WeakPolarHBondContact CA-O 3.31Å; T326-M469 HydrophobicContact CG2-CB 4.04Å; T326-M469 PolarHBondContact N-O 3.23Å; T326-M469 PolarHBondContact O-N 2.88Å; K328-M469 HydrophobicContact CB-CG 4.11Å; E467-M469 HydrophobicContact CB-SD 4.44Å; M469-Y481 HydrophobicContact CB-CD1 4.34Å; M469-Y481 WeakPolarHBondContact CE-O 3.04Å; M469-I482 CarbonylContact C-O 3.58Å; M469-I482 WeakPolarHBondContact CA-O 3.08Å; M469-I482 VanDerWaalsContact CE-C 3.46Å; M469-I482 WeakPolarHBondContact CE-O 3.43Å; M469-N483 HydrophobicContact CE-CB 4.3Å; M469-N483 HydrophobicContact SD-CB 3.92Å
470	N	94.9	Very high	89.7	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.8	172.6	-178.7	11	0	0	0	109.3	G323 K472 I482 V484	G323-N470 PolarHBondContact O-OD1 3.05Å; N470-K472 PolarHBondContact O-N 3.03Å; N470-I482 HydrophobicContact CB-CG1 4.15Å; N470-I482 PolarHBondContact N-O 3.16Å; N470-I482 WeakPolarHBondContact O-CG1 3.23Å; N470-I482 PolarHBondContact O-N 3.37Å; N470-V484 HydrophobicContact CB-CG1 3.71Å; N470-V484 HydrophobicContact CB-CG2 4.05Å
471	F	93.5	Very high	89.6	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	100.5	178.3	-172.2	-96.5	0	0	0	110.5	T314 Q318 A321 V322 G323 G324 F479 D480 Y481	T314-F471 HydrophobicContact CG2-CD2 4.23Å; T314-F471 HydrophobicContact CG2-CE1 4.36Å; T314-F471 HydrophobicContact CG2-CE2 4.02Å; T314-F471 HydrophobicContact CG2-CG 4.48Å; T314-F471 HydrophobicContact CG2-CZ 4.09Å; Q318-F471 HydrophobicContact CB-CE1 3.94Å; Q318-F471 HydrophobicContact CB-CZ 3.93Å; Q318-F471 HydrophobicContact CG-CE1 4.42Å; Q318-F471 HydrophobicContact CG-CZ 3.9Å; A321-F471 HydrophobicContact CB-CD1 3.8Å; A321-F471 HydrophobicContact CB-CE1 3.95Å; V322-F471 CarbonylContact C-O 3.54Å; G323-F471 PolarHBondContact N-O 3.47Å; G324-F471 PolarHBondContact O-N 3.03Å; F471-F479 HydrophobicContact CE1-CB 3.68Å; F471-F479 HydrophobicContact CE1-CD1 4.14Å; F471-F479 HydrophobicContact CE1-CG 4.19Å; F471-F479 HydrophobicContact CE2-CB 4.25Å; F471-F479 HydrophobicContact CZ-CB 3.47Å; F471-F479 VanDerWaalsContact CZ-CB 3.47Å; F471-F479 HydrophobicContact CZ-CG 4.39Å; F471-D480 WeakPolarHBondContact CA-O 3.36Å; F471-Y481 HydrophobicContact CB-CD1 4.08Å; F471-Y481 HydrophobicContact CB-CE1 4.03Å; F471-Y481 AromaticContact CD2-CD1 3.91Å; F471-Y481 HydrophobicContact CD2-CD1 3.91Å; F471-Y481 AromaticContact CD2-CD2 3.91Å; F471-Y481 HydrophobicContact CD2-CD2 3.91Å; F471-Y481 AromaticContact CD2-CE1 3.83Å; F471-Y481 HydrophobicContact CD2-CE1 3.83Å; F471-Y481 AromaticContact CD2-CE2 3.8Å; F471-Y481 HydrophobicContact CD2-CE2 3.8Å; F471-Y481 AromaticContact CD2-CG 3.97Å; F471-Y481 HydrophobicContact CD2-CG 3.97Å; F471-Y481 AromaticContact CD2-CZ 3.77Å; F471-Y481 HydrophobicContact CE2-CD2 4.31Å; F471-Y481 HydrophobicContact CE2-CE2 4.09Å; F471-Y481 HydrophobicContact CG-CD1 4.5Å; F471-Y481 HydrophobicContact CG-CE1 4.33Å
472	K	89.6	Confident	89.6	Confident	31 Å²	31	46.1 Å²	46.1	14%	0.135	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	158.1	-171.8	74.9	-167.8	-74.8	176.7	0	113.3	N470 M474 F479 D480 I482 E498	N470-K472 PolarHBondContact O-N 3.03Å; K472-M474 HydrophobicContact CD-SD 3.65Å; K472-M474 HydrophobicContact CG-CG 3.98Å; K472-M474 HydrophobicContact CG-SD 3.6Å; K472-M474 VanDerWaalsContact CG-SD 3.6Å; K472-M474 PolarHBondContact O-N 2.82Å; K472-F479 VanDerWaalsContact O-CA 3.28Å; K472-F479 WeakPolarHBondContact O-CA 3.48Å; K472-D480 PolarHBondContact N-O 3.03Å; K472-D480 PolarHBondContact O-N 3.21Å; K472-I482 HydrophobicContact CD-CB 4.39Å; K472-I482 HydrophobicContact CD-CD1 3.3Å; K472-I482 HydrophobicContact CD-CG1 3.5Å; K472-I482 VanDerWaalsContact CD-CG1 3.5Å; K472-I482 HydrophobicContact CD-CG2 4.03Å; K472-I482 HydrophobicContact CG-CD1 4.44Å; K472-I482 HydrophobicContact CG-CG1 4.14Å; K472-I482 HydrophobicContact CG-CG2 4.33Å; K472-E498 PolarHBondContact NZ-O 3.36Å; K472-E498 IonicContact NZ-OE1 3.61Å; K472-E498 PolarHBondContact NZ-OE1 2.66Å; K472-E498 IonicContact NZ-OE2 2.84Å
473	E	89.8	Confident	89.8	Confident	96 Å²	96	49.6 Å²	49.6	45%	0.449	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.1	166	-166.3	170.5	-165.4	0	0	108.7	G475 K476 D477 F479	E473-G475 WeakPolarHBondContact CG-O 3.48Å; E473-K476 WeakPolarHBondContact OE1-CA 3.47Å; E473-D477 PolarHBondContact OE1-N 2.03Å; E473-F479 HydrophobicContact CB-CD1 3.84Å; E473-F479 HydrophobicContact CB-CE1 3.58Å; E473-F479 HydrophobicContact CB-CZ 4.13Å; E473-F479 HydrophobicContact CG-CD1 4.33Å; E473-F479 HydrophobicContact CG-CE1 3.95Å; E473-F479 HydrophobicContact CG-CE2 4.41Å; E473-F479 HydrophobicContact CG-CZ 3.98Å
474	M	87.8	Confident	90.2	Very high	100 Å²	100	47.5 Å²	47.5	49%	0.493	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-20.6	-178.8	-71.2	-65.1	-76.2	0	0	112	K472 Y478 D480 I482	K472-M474 HydrophobicContact CD-SD 3.65Å; K472-M474 HydrophobicContact CG-CG 3.98Å; K472-M474 HydrophobicContact CG-SD 3.6Å; K472-M474 VanDerWaalsContact CG-SD 3.6Å; K472-M474 PolarHBondContact O-N 2.82Å; M474-Y478 HydrophobicContact CB-CD1 3.87Å; M474-Y478 HydrophobicContact CB-CE1 4.12Å; M474-Y478 PolarHBondContact N-O 2.83Å; M474-D480 HydrophobicContact CG-CB 3.8Å; M474-I482 HydrophobicContact CE-CG2 3.91Å; M474-I482 HydrophobicContact CG-CG2 4.39Å; M474-I482 HydrophobicContact SD-CG2 3.67Å
475	G	86.3	Confident	90.9	Very high	32 Å²	32	48.1 Å²	48.1	33%	0.33	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	168	170.3	0	0	0	0	0	108.7	E473 D477 Y478	E473-G475 WeakPolarHBondContact CG-O 3.48Å; G475-D477 PolarHBondContact O-N 3.43Å; G475-Y478 PolarHBondContact N-O 3.28Å; G475-Y478 PolarHBondContact O-N 3.37Å
476	K	85	Confident	91.2	Very high	188 Å²	188	45.4 Å²	45.4	82%	0.817	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	119.3	-175.8	-177.2	-172.9	172.8	-172.5	0	111.3	E473 Y478	E473-K476 WeakPolarHBondContact OE1-CA 3.47Å; K476-Y478 PolarHBondContact O-N 3.28Å
477	D	82.4	Confident	91.3	Very high	87 Å²	87	45.8 Å²	45.8	47%	0.465	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	14.7	-177.9	-64.3	-64.2	0	0	0	114.8	R319 E473 G475	R319-D477 IonicContact CZ-OD1 3.38Å; R319-D477 IonicContact NE-OD1 2.73Å; R319-D477 IonicContact NH2-OD1 3.18Å; R319-D477 PolarHBondContact NH2-OD1 2.96Å; E473-D477 PolarHBondContact OE1-N 2.03Å; G475-D477 PolarHBondContact O-N 3.43Å
478	Y	89.5	Confident	91.2	Very high	134 Å²	134	46.6 Å²	46.6	53%	0.525	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.6	172.8	-179.3	-98.7	0	0	0	110.7	M474 G475 K476 D480	M474-Y478 HydrophobicContact CB-CD1 3.87Å; M474-Y478 HydrophobicContact CB-CE1 4.12Å; M474-Y478 PolarHBondContact N-O 2.83Å; G475-Y478 PolarHBondContact N-O 3.28Å; G475-Y478 PolarHBondContact O-N 3.37Å; K476-Y478 PolarHBondContact O-N 3.28Å; Y478-D480 HydrophobicContact CE1-CB 4.05Å; Y478-D480 PolarHBondContact OH-OD2 3.33Å
479	F	91.3	Very high	90.5	Very high	23 Å²	23	51.5 Å²	51.5	10%	0.101	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.3	-174.7	-61.5	-102.4	0	0	0	110.4	Q318 R319 V322 F471 K472 E473	Q318-F479 HydrophobicContact CB-CB 4Å; Q318-F479 HydrophobicContact CB-CD1 4.36Å; Q318-F479 HydrophobicContact CB-CD2 3.63Å; Q318-F479 HydrophobicContact CB-CE2 4.18Å; Q318-F479 HydrophobicContact CB-CG 3.75Å; Q318-F479 HydrophobicContact CG-CB 4.32Å; Q318-F479 HydrophobicContact CG-CD2 4.37Å; R319-F479 HydrophobicContact CG-CE2 4.27Å; R319-F479 HydrophobicContact CG-CZ 3.99Å; V322-F479 HydrophobicContact CB-CD1 4.37Å; V322-F479 HydrophobicContact CB-CE1 4.03Å; V322-F479 HydrophobicContact CG2-CD1 4.14Å; V322-F479 HydrophobicContact CG2-CE1 3.84Å; F471-F479 HydrophobicContact CE1-CB 3.68Å; F471-F479 HydrophobicContact CE1-CD1 4.14Å; F471-F479 HydrophobicContact CE1-CG 4.19Å; F471-F479 HydrophobicContact CE2-CB 4.25Å; F471-F479 HydrophobicContact CZ-CB 3.47Å; F471-F479 VanDerWaalsContact CZ-CB 3.47Å; F471-F479 HydrophobicContact CZ-CG 4.39Å; K472-F479 VanDerWaalsContact O-CA 3.28Å; K472-F479 WeakPolarHBondContact O-CA 3.48Å; E473-F479 HydrophobicContact CB-CD1 3.84Å; E473-F479 HydrophobicContact CB-CE1 3.58Å; E473-F479 HydrophobicContact CB-CZ 4.13Å; E473-F479 HydrophobicContact CG-CD1 4.33Å; E473-F479 HydrophobicContact CG-CE1 3.95Å; E473-F479 HydrophobicContact CG-CE2 4.41Å; E473-F479 HydrophobicContact CG-CZ 3.98Å
480	D	91.1	Very high	89.8	Confident	33 Å²	33	52.6 Å²	52.6	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.6	-171.4	-142.9	-28.9	0	0	0	112.3	Y311 F471 K472 M474 Y478	Y311-D480 PolarHBondContact OH-OD1 2.91Å; Y311-D480 VanDerWaalsContact OH-OD1 3.11Å; F471-D480 WeakPolarHBondContact CA-O 3.36Å; K472-D480 PolarHBondContact N-O 3.03Å; K472-D480 PolarHBondContact O-N 3.21Å; M474-D480 HydrophobicContact CG-CB 3.8Å; Y478-D480 HydrophobicContact CE1-CB 4.05Å; Y478-D480 PolarHBondContact OH-OD2 3.33Å
481	Y	91.4	Very high	89.7	Confident	13 Å²	13	58 Å²	58	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	105.1	170.5	-72.9	-80.8	0	0	0	109.9	W307 Y311 T314 T326 M469 F471	W307-Y481 HydrophobicContact CE3-CE1 4.19Å; W307-Y481 AromaticContact CZ3-CE1 3.92Å; W307-Y481 HydrophobicContact CZ3-CE1 3.92Å; W307-Y481 PolarHBondContact O-OH 2.69Å; Y311-Y481 HydrophobicContact CD1-CD2 4.05Å; Y311-Y481 HydrophobicContact CD1-CE2 4.18Å; Y311-Y481 AromaticContact CE1-CD2 3.64Å; Y311-Y481 HydrophobicContact CE1-CD2 3.64Å; Y311-Y481 HydrophobicContact CE1-CE2 4.24Å; Y311-Y481 HydrophobicContact CE2-CD2 4.39Å; Y311-Y481 HydrophobicContact CG-CE2 4.49Å; Y311-Y481 AromaticContact CZ-CD2 3.8Å; T314-Y481 WeakPolarHBondContact CG2-OH 3.45Å; T326-Y481 HydrophobicContact CG2-CD1 4.29Å; T326-Y481 HydrophobicContact CG2-CE1 3.94Å; M469-Y481 HydrophobicContact CB-CD1 4.34Å; M469-Y481 WeakPolarHBondContact CE-O 3.04Å; F471-Y481 HydrophobicContact CB-CD1 4.08Å; F471-Y481 HydrophobicContact CB-CE1 4.03Å; F471-Y481 AromaticContact CD2-CD1 3.91Å; F471-Y481 HydrophobicContact CD2-CD1 3.91Å; F471-Y481 AromaticContact CD2-CD2 3.91Å; F471-Y481 HydrophobicContact CD2-CD2 3.91Å; F471-Y481 AromaticContact CD2-CE1 3.83Å; F471-Y481 HydrophobicContact CD2-CE1 3.83Å; F471-Y481 AromaticContact CD2-CE2 3.8Å; F471-Y481 HydrophobicContact CD2-CE2 3.8Å; F471-Y481 AromaticContact CD2-CG 3.97Å; F471-Y481 HydrophobicContact CD2-CG 3.97Å; F471-Y481 AromaticContact CD2-CZ 3.77Å; F471-Y481 HydrophobicContact CE2-CD2 4.31Å; F471-Y481 HydrophobicContact CE2-CE2 4.09Å; F471-Y481 HydrophobicContact CG-CD1 4.5Å; F471-Y481 HydrophobicContact CG-CE1 4.33Å
482	I	92.4	Very high	89.7	Confident	23 Å²	23	59.5 Å²	59.5	12%	0.118	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	150.4	172.1	62.8	145.7	0	0	0	111.4	M469 N470 K472 M474 V484 E498	M469-I482 CarbonylContact C-O 3.58Å; M469-I482 WeakPolarHBondContact CA-O 3.08Å; M469-I482 VanDerWaalsContact CE-C 3.46Å; M469-I482 WeakPolarHBondContact CE-O 3.43Å; N470-I482 HydrophobicContact CB-CG1 4.15Å; N470-I482 PolarHBondContact N-O 3.16Å; N470-I482 WeakPolarHBondContact O-CG1 3.23Å; N470-I482 PolarHBondContact O-N 3.37Å; K472-I482 HydrophobicContact CD-CB 4.39Å; K472-I482 HydrophobicContact CD-CD1 3.3Å; K472-I482 HydrophobicContact CD-CG1 3.5Å; K472-I482 VanDerWaalsContact CD-CG1 3.5Å; K472-I482 HydrophobicContact CD-CG2 4.03Å; K472-I482 HydrophobicContact CG-CD1 4.44Å; K472-I482 HydrophobicContact CG-CG1 4.14Å; K472-I482 HydrophobicContact CG-CG2 4.33Å; M474-I482 HydrophobicContact CE-CG2 3.91Å; M474-I482 HydrophobicContact CG-CG2 4.39Å; M474-I482 HydrophobicContact SD-CG2 3.67Å; I482-V484 HydrophobicContact CD1-CG1 3.37Å; I482-V484 HydrophobicContact CG1-CG1 3.96Å; I482-E498 HydrophobicContact CD1-CG 3.61Å; I482-E498 VanDerWaalsContact CD1-OE1 3.23Å; I482-E498 WeakPolarHBondContact CD1-OE1 3.4Å
483	N	93.1	Very high	90	Very high	84 Å²	84	62.7 Å²	62.7	45%	0.449	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.5	167.5	-174.6	-14.4	0	0	0	109.2	I468 M469 G485	I468-N483 PolarHBondContact O-OD1 2.99Å; M469-N483 HydrophobicContact CE-CB 4.3Å; M469-N483 HydrophobicContact SD-CB 3.92Å; N483-G485 PolarHBondContact OD1-N 3.04Å; N483-G485 PolarHBondContact OD1-O 2.97Å
484	V	94.1	Very high	90.1	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-1.1	178.5	-67.1	0	0	0	0	113.3	I468 N470 I482 M494 D495 E498 V499	I468-V484 HydrophobicContact CB-CG2 4.39Å; I468-V484 HydrophobicContact CG2-CG2 4.03Å; I468-V484 WeakPolarHBondContact O-CG2 3.47Å; I468-V484 PolarHBondContact O-N 3.1Å; N470-V484 HydrophobicContact CB-CG1 3.71Å; N470-V484 HydrophobicContact CB-CG2 4.05Å; I482-V484 HydrophobicContact CD1-CG1 3.37Å; I482-V484 HydrophobicContact CG1-CG1 3.96Å; V484-M494 HydrophobicContact CB-CE 4.34Å; V484-M494 HydrophobicContact CG2-CE 3.71Å; V484-M494 HydrophobicContact CG2-SD 4.29Å; V484-M494 WeakPolarHBondContact O-CA 3.48Å; V484-D495 PolarHBondContact O-N 3.35Å; V484-E498 HydrophobicContact CG1-CG 4.22Å; V484-V499 HydrophobicContact CB-CG2 3.66Å; V484-V499 HydrophobicContact CG1-CG2 3.71Å; V484-V499 HydrophobicContact CG2-CG2 3.84Å
485	G	94.3	Very high	90.3	Very high	13 Å²	13	58.5 Å²	58.5	13%	0.134	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-177	-176.4	0	0	0	0	0	115.7	I468 N483 K493	I468-G485 PolarHBondContact N-O 3Å; I468-G485 PolarHBondContact O-N 3.44Å; N483-G485 PolarHBondContact OD1-N 3.04Å; N483-G485 PolarHBondContact OD1-O 2.97Å; G485-K493 CarbonylContact C-O 3.59Å; G485-K493 WeakPolarHBondContact CA-O 3.28Å
486	S	94.6	Very high	90.5	Very high	36 Å²	36	59.2 Å²	59.2	25%	0.252	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.7	178.4	63.3	0	0	0	0	111.4	Y466 K493	Y466-S486 CarbonylContact O-C 3.52Å; Y466-S486 WeakPolarHBondContact O-CA 3.39Å; S486-K493 PolarHBondContact N-O 3.39Å; S486-K493 PolarHBondContact O-N 3.46Å
487	W	94.4	Very high	90.6	Very high	9 Å²	9	54.8 Å²	54.8	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.6	172	-175	103.7	0	0	0	109.1	Q197 R200 A201 D204 R465 Y466 I468 G490 L492	Q197-W487 HydrophobicContact CB-CH2 4.25Å; Q197-W487 HydrophobicContact CB-CZ3 4.35Å; R200-W487 HydrophobicContact CB-CZ2 4.1Å; R200-W487 HydrophobicContact CG-CZ2 3.72Å; A201-W487 HydrophobicContact CB-CB 4.32Å; A201-W487 HydrophobicContact CB-CD2 3.83Å; A201-W487 HydrophobicContact CB-CE3 4.47Å; A201-W487 HydrophobicContact CB-CG 3.77Å; D204-W487 PolarHBondContact OD2-NE1 3.27Å; R465-W487 WeakPolarHBondContact CA-O 3.39Å; Y466-W487 HydrophobicContact CD2-CD2 4.3Å; Y466-W487 AromaticContact CD2-CE3 3.61Å; Y466-W487 HydrophobicContact CD2-CE3 3.61Å; Y466-W487 HydrophobicContact CD2-CZ3 4.13Å; Y466-W487 AromaticContact CE2-CE3 3.92Å; Y466-W487 HydrophobicContact CE2-CE3 3.92Å; Y466-W487 AromaticContact CE2-CZ3 3.95Å; Y466-W487 HydrophobicContact CE2-CZ3 3.95Å; Y466-W487 PolarHBondContact N-O 3.44Å; Y466-W487 PolarHBondContact O-N 2.8Å; I468-W487 HydrophobicContact CD1-CB 4.45Å; W487-G490 VanDerWaalsContact CE2-N 3.33Å; W487-L492 HydrophobicContact CB-CD1 4.47Å
488	D	89.7	Confident	91	Very high	51 Å²	51	54.3 Å²	54.3	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	114.6	172.5	-173.4	-13.9	0	0	0	107.9	R465 G490 E491	R465-D488 HydrophobicContact CG-CB 4.16Å; R465-D488 IonicContact CZ-OD2 3.65Å; R465-D488 IonicContact NE-OD1 2.68Å; R465-D488 IonicContact NE-OD2 3.71Å; R465-D488 PolarHBondContact NE-OD2 2.9Å; R465-D488 IonicContact NH2-OD2 2.72Å; R465-D488 PolarHBondContact NH2-OD2 2.67Å; D488-G490 PolarHBondContact O-N 2.66Å; D488-E491 PolarHBondContact N-O 2.96Å; D488-E491 PolarHBondContact O-N 2.99Å
489	N	81.2	Confident	90.8	Very high	102 Å²	102	48.7 Å²	48.7	55%	0.545	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	40.1	175.7	-71.1	-80.2	0	0	0	115.7
490	G	80.3	Confident	90.4	Very high	40 Å²	40	48.7 Å²	48.7	41%	0.412	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-9.8	179.1	0	0	0	0	0	115.5	W487 D488 L492	W487-G490 VanDerWaalsContact CE2-N 3.33Å; D488-G490 PolarHBondContact O-N 2.66Å; G490-L492 PolarHBondContact O-N 3.5Å
491	E	91.3	Very high	89.6	Confident	115 Å²	115	52 Å²	52	54%	0.537	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	93.2	173	-160.7	-165	168.1	0	0	110.7	D488 K493	D488-E491 PolarHBondContact N-O 2.96Å; D488-E491 PolarHBondContact O-N 2.99Å; E491-K493 PolarHBondContact O-N 3.03Å; E491-K493 WeakPolarHBondContact OE1-CE 3.29Å; E491-K493 IonicContact OE1-NZ 3.83Å; E491-K493 PolarHBondContact OE1-NZ 3.36Å; E491-K493 IonicContact OE2-NZ 2.78Å; E491-K493 PolarHBondContact OE2-NZ 3.19Å
492	L	94.7	Very high	88.7	Confident	34 Å²	34	58 Å²	58	18%	0.178	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	104.7	178.1	179	57.7	0	0	0	111.9	D204 I205 R208 I468 W487 G490 M494	D204-L492 HydrophobicContact CB-CD2 3.95Å; D204-L492 WeakPolarHBondContact O-CD2 3.31Å; I205-L492 HydrophobicContact CG1-CD1 4.04Å; I205-L492 HydrophobicContact CG1-CD2 3.96Å; R208-L492 HydrophobicContact CB-CD2 4.02Å; R208-L492 HydrophobicContact CG-CD2 4.41Å; I468-L492 HydrophobicContact CD1-CD1 3.26Å; W487-L492 HydrophobicContact CB-CD1 4.47Å; G490-L492 PolarHBondContact O-N 3.5Å; L492-M494 HydrophobicContact CD1-CG 3.65Å; L492-M494 HydrophobicContact CD1-SD 4.35Å; L492-M494 HydrophobicContact CG-CG 4Å
493	K	95.1	Very high	87.5	Confident	97 Å²	97	64.3 Å²	64.3	42%	0.422	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124	171.1	-58.5	-173.6	179.8	79.4	0	109.3	G485 S486 E491	G485-K493 CarbonylContact C-O 3.59Å; G485-K493 WeakPolarHBondContact CA-O 3.28Å; S486-K493 PolarHBondContact N-O 3.39Å; S486-K493 PolarHBondContact O-N 3.46Å; E491-K493 PolarHBondContact O-N 3.03Å; E491-K493 WeakPolarHBondContact OE1-CE 3.29Å; E491-K493 IonicContact OE1-NZ 3.83Å; E491-K493 PolarHBondContact OE1-NZ 3.36Å; E491-K493 IonicContact OE2-NZ 2.78Å; E491-K493 PolarHBondContact OE2-NZ 3.19Å
494	M	93.1	Very high	86.1	Confident	23 Å²	23	64.7 Å²	64.7	11%	0.113	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.2	-178.8	-75.1	-67.8	-69.1	0	0	110.9	R208 Y209 I468 V484 L492 V499	R208-M494 PolarHBondContact NH2-O 2.8Å; Y209-M494 HydrophobicContact CE2-CE 4.42Å; Y209-M494 VanDerWaalsContact OH-CE 3.22Å; Y209-M494 WeakPolarHBondContact OH-CE 3.3Å; I468-M494 HydrophobicContact CB-SD 3.76Å; I468-M494 HydrophobicContact CD1-CG 4.23Å; I468-M494 HydrophobicContact CD1-SD 3.43Å; I468-M494 WeakPolarHBondContact CD1-SD 3.31Å; I468-M494 HydrophobicContact CG1-SD 4.17Å; I468-M494 HydrophobicContact CG2-CE 3.95Å; I468-M494 HydrophobicContact CG2-SD 3.65Å; V484-M494 HydrophobicContact CB-CE 4.34Å; V484-M494 HydrophobicContact CG2-CE 3.71Å; V484-M494 HydrophobicContact CG2-SD 4.29Å; V484-M494 WeakPolarHBondContact O-CA 3.48Å; L492-M494 HydrophobicContact CD1-CG 3.65Å; L492-M494 HydrophobicContact CD1-SD 4.35Å; L492-M494 HydrophobicContact CG-CG 4Å; M494-V499 HydrophobicContact CE-CG2 3.98Å
495	D	92.3	Very high	84.9	Confident	86 Å²	86	68.4 Å²	68.4	46%	0.46	37%	0.369	S	S	.	.			trans	-96.3	112.2	168.6	-169.4	-35.7	0	0	0	110.2	V484 D497 E498 V499	V484-D495 PolarHBondContact O-N 3.35Å; D495-D497 PolarHBondContact OD1-N 3.2Å; D495-D497 VanDerWaalsContact OD1-N 3.09Å; D495-E498 HydrophobicContact CB-CB 4.08Å; D495-E498 PolarHBondContact OD1-N 2.99Å; D495-V499 VanDerWaalsContact O-CG2 3.29Å; D495-V499 WeakPolarHBondContact O-CG2 3.4Å; D495-V499 PolarHBondContact O-N 3.38Å
496	D	89.7	Confident	84	Confident	47 Å²	47	71 Å²	71	25%	0.251	38%	0.379	S	S	.	.	H	α-helix	trans	-84.6	-27.5	-175.1	-60.7	-37.9	0	0	0	113.7	R208 Y209 E498 V499 W500	R208-D496 IonicContact CZ-OD1 3.29Å; R208-D496 IonicContact CZ-OD2 2.73Å; R208-D496 VanDerWaalsContact CZ-OD2 3.22Å; R208-D496 IonicContact NH1-OD1 3Å; R208-D496 PolarHBondContact NH1-OD1 2.82Å; R208-D496 IonicContact NH1-OD2 2.88Å; R208-D496 PolarHBondContact NH1-OD2 2.88Å; R208-D496 VanDerWaalsContact NH2-CG 3.33Å; R208-D496 IonicContact NH2-OD1 2.7Å; R208-D496 PolarHBondContact NH2-OD1 3.44Å; R208-D496 IonicContact NH2-OD2 3.78Å; R208-D496 PolarHBondContact NH2-OD2 3.47Å; Y209-D496 WeakPolarHBondContact CE1-OD1 3.22Å; Y209-D496 PolarHBondContact OH-OD1 2.93Å; D496-E498 VanDerWaalsContact C-N 3.33Å; D496-V499 PolarHBondContact O-N 3.43Å; D496-W500 HydrophobicContact CB-CE3 4.37Å; D496-W500 HydrophobicContact CB-CZ3 4.41Å; D496-W500 PolarHBondContact O-N 2.89Å
497	D	87.6	Confident	83.4	Confident	95 Å²	95	70.7 Å²	70.7	51%	0.508	37%	0.374	S	S	.	.	H	α-helix	trans	-78.3	-26	-179.6	-68.2	-45.1	0	0	0	109.7	D495 W500 K503	D495-D497 PolarHBondContact OD1-N 3.2Å; D495-D497 VanDerWaalsContact OD1-N 3.09Å; D497-W500 CarbonylContact O-C 3.58Å; D497-W500 VanDerWaalsContact O-C 3.32Å; D497-K503 VanDerWaalsContact OD1-CE 3.26Å; D497-K503 WeakPolarHBondContact OD1-CE 3.11Å
498	E	89.1	Confident	82.9	Confident	77 Å²	77	79.3 Å²	79.3	36%	0.36	41%	0.407	S	S	.	.	H	α-helix	trans	-76.4	-33.1	169.1	-171.7	55.5	-145.5	0	0	113.3	K472 I482 V484 D495 D496	K472-E498 PolarHBondContact NZ-O 3.36Å; K472-E498 IonicContact NZ-OE1 3.61Å; K472-E498 PolarHBondContact NZ-OE1 2.66Å; K472-E498 IonicContact NZ-OE2 2.84Å; I482-E498 HydrophobicContact CD1-CG 3.61Å; I482-E498 VanDerWaalsContact CD1-OE1 3.23Å; I482-E498 WeakPolarHBondContact CD1-OE1 3.4Å; V484-E498 HydrophobicContact CG1-CG 4.22Å; D495-E498 HydrophobicContact CB-CB 4.08Å; D495-E498 PolarHBondContact OD1-N 2.99Å; D496-E498 VanDerWaalsContact C-N 3.33Å
499	V	86.6	Confident	83	Confident	15 Å²	15	76.9 Å²	76.9	9%	0.091	39%	0.394	C	S	.	.	H	α-helix	trans	-69.8	-45.7	170.8	176.1	0	0	0	0	111.3	I325 V484 M494 D495 D496	I325-V499 HydrophobicContact CD1-CG1 4.25Å; V484-V499 HydrophobicContact CB-CG2 3.66Å; V484-V499 HydrophobicContact CG1-CG2 3.71Å; V484-V499 HydrophobicContact CG2-CG2 3.84Å; M494-V499 HydrophobicContact CE-CG2 3.98Å; D495-V499 VanDerWaalsContact O-CG2 3.29Å; D495-V499 WeakPolarHBondContact O-CG2 3.4Å; D495-V499 PolarHBondContact O-N 3.38Å; D496-V499 PolarHBondContact O-N 3.43Å
500	W	83.1	Confident	83.5	Confident	24 Å²	24	74.2 Å²	74.2	9%	0.091	38%	0.381	C	S	.	.			trans	-129.6	105.8	179.5	-57.5	-74	0	0	0	111.9	Y209 W211 D496 D497 K502 N505 I506	Y209-W500 AromaticContact CD1-CH2 3.54Å; Y209-W500 HydrophobicContact CD1-CH2 3.54Å; Y209-W500 AromaticContact CD1-CZ3 3.8Å; Y209-W500 HydrophobicContact CD1-CZ3 3.8Å; Y209-W500 AromaticContact CD2-CH2 3.85Å; Y209-W500 HydrophobicContact CD2-CH2 3.85Å; Y209-W500 AromaticContact CE1-CH2 3.43Å; Y209-W500 HydrophobicContact CE1-CH2 3.43Å; Y209-W500 VanDerWaalsContact CE1-CH2 3.43Å; Y209-W500 AromaticContact CE1-CZ3 3.34Å; Y209-W500 HydrophobicContact CE1-CZ3 3.34Å; Y209-W500 AromaticContact CE2-CH2 3.71Å; Y209-W500 HydrophobicContact CE2-CH2 3.71Å; Y209-W500 HydrophobicContact CE2-CZ3 4.3Å; Y209-W500 AromaticContact CG-CH2 3.77Å; Y209-W500 HydrophobicContact CG-CH2 3.77Å; Y209-W500 HydrophobicContact CG-CZ3 4.47Å; Y209-W500 AromaticContact CZ-CH2 3.49Å; Y209-W500 VanDerWaalsContact CZ-CH2 3.49Å; Y209-W500 AromaticContact CZ-CZ3 3.61Å; W211-W500 HydrophobicContact CZ2-CH2 4.44Å; W211-W500 HydrophobicContact CZ2-CZ2 4.14Å; D496-W500 HydrophobicContact CB-CE3 4.37Å; D496-W500 HydrophobicContact CB-CZ3 4.41Å; D496-W500 PolarHBondContact O-N 2.89Å; D497-W500 CarbonylContact O-C 3.58Å; D497-W500 VanDerWaalsContact O-C 3.32Å; W500-K502 PolarHBondContact O-N 3.07Å; W500-N505 HydrophobicContact CB-CB 4.34Å; W500-N505 HydrophobicContact CG-CB 4.46Å; W500-N505 PolarHBondContact NE1-O 2.9Å; W500-I506 HydrophobicContact CD2-CG1 3.79Å; W500-I506 HydrophobicContact CE3-CD1 4.4Å; W500-I506 HydrophobicContact CE3-CG1 3.72Å; W500-I506 HydrophobicContact CG-CG1 4.24Å; W500-I506 HydrophobicContact CH2-CG2 4.3Å; W500-I506 HydrophobicContact CZ2-CG2 4.36Å; W500-I506 HydrophobicContact CZ3-CG1 4.1Å
501	S	73.9	Confident	84	Confident	102 Å²	102	72.8 Å²	72.8	71%	0.713	37%	0.365	S	S	*	.	S	Bend	trans	-60.6	-2.6	176.9	-40.2	0	0	0	0	115.3
502	K	72.8	Confident	83.9	Confident	140 Å²	140	68.3 Å²	68.3	61%	0.609	35%	0.346	S	S	*	.	S	Bend	trans	-148.8	137.7	164.6	-64.4	-173.1	-179.7	177.9	0	110.3	W500 S504 N505	W500-K502 PolarHBondContact O-N 3.07Å; K502-S504 VanDerWaalsContact CB-OG 3.3Å; K502-S504 WeakPolarHBondContact CB-OG 3.45Å; K502-S504 PolarHBondContact O-N 2.79Å; K502-N505 WeakPolarHBondContact O-CB 3.43Å; K502-N505 PolarHBondContact O-N 3.48Å
503	K	66.6	Low	83.5	Confident	154 Å²	154	73.2 Å²	73.2	67%	0.67	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-61.5	-16.3	175.1	-59.4	-174	179.8	-175.6	0	114.3	D497 N505 I506	D497-K503 VanDerWaalsContact OD1-CE 3.26Å; D497-K503 WeakPolarHBondContact OD1-CE 3.11Å; K503-N505 PolarHBondContact O-N 3.16Å; K503-I506 HydrophobicContact CB-CD1 4.42Å
504	S	63.4	Low	83.2	Confident	92 Å²	92	74 Å²	74	64%	0.643	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-66.5	-19.2	169	52.8	0	0	0	0	114.3	K502	K502-S504 VanDerWaalsContact CB-OG 3.3Å; K502-S504 WeakPolarHBondContact CB-OG 3.45Å; K502-S504 PolarHBondContact O-N 2.79Å
505	N	69.8	Low	83	Confident	85 Å²	85	74.5 Å²	74.5	46%	0.455	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-95.2	-2.5	-171.5	-57.2	9.1	0	0	0	112.4	W500 K502 K503 I507	W500-N505 HydrophobicContact CB-CB 4.34Å; W500-N505 HydrophobicContact CG-CB 4.46Å; W500-N505 PolarHBondContact NE1-O 2.9Å; K502-N505 WeakPolarHBondContact O-CB 3.43Å; K502-N505 PolarHBondContact O-N 3.48Å; K503-N505 PolarHBondContact O-N 3.16Å; N505-I507 PolarHBondContact O-N 2.85Å; N505-I507 VanDerWaalsContact O-N 3.08Å
506	I	75.1	Confident	82.7	Confident	68 Å²	68	77 Å²	77	35%	0.349	40%	0.397	S	S	.	.			trans	-62.8	111.1	173.3	-58.3	172.3	0	0	0	108	W500 K503 R508	W500-I506 HydrophobicContact CD2-CG1 3.79Å; W500-I506 HydrophobicContact CE3-CD1 4.4Å; W500-I506 HydrophobicContact CE3-CG1 3.72Å; W500-I506 HydrophobicContact CG-CG1 4.24Å; W500-I506 HydrophobicContact CH2-CG2 4.3Å; W500-I506 HydrophobicContact CZ2-CG2 4.36Å; W500-I506 HydrophobicContact CZ3-CG1 4.1Å; K503-I506 HydrophobicContact CB-CD1 4.42Å; I506-R508 PolarHBondContact O-N 2.83Å
507	I	82.3	Confident	82.3	Confident	28 Å²	28	83.8 Å²	83.8	14%	0.144	43%	0.425	C	S	.	.			trans	-65.1	132.5	-179.9	-73.6	172.3	0	0	0	109.1	W211 R272 V273 L300 N505	W211-I507 PolarHBondContact NE1-O 3.23Å; R272-I507 HydrophobicContact CB-CG2 3.56Å; R272-I507 HydrophobicContact CG-CG2 4.35Å; V273-I507 HydrophobicContact CG2-CG2 4.26Å; L300-I507 HydrophobicContact CB-CD1 3.86Å; L300-I507 HydrophobicContact CD1-CD1 4.12Å; L300-I507 HydrophobicContact CD2-CD1 4.37Å; L300-I507 HydrophobicContact CG-CD1 4.35Å; N505-I507 PolarHBondContact O-N 2.85Å; N505-I507 VanDerWaalsContact O-N 3.08Å
508	R	83.7	Confident	81.9	Confident	190 Å²	190	79.8 Å²	79.8	72%	0.717	41%	0.406	S	S	*	.			trans	-92.5	133.3	170.2	-64.2	-176.9	179.2	-172.5	-1.3	109.2	I506	I506-R508 PolarHBondContact O-N 2.83Å
509	S	92.1	Very high	81.9	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.4	C	S	.	.			trans	-136.7	85.2	177.6	-152.6	0	0	0	0	108.4	T212 Y213 K270 A271 R272 V273	T212-S509 PolarHBondContact N-O 3.24Å; Y213-S509 PolarHBondContact N-O 2.94Å; Y213-S509 CarbonylContact O-C 3.58Å; Y213-S509 WeakPolarHBondContact O-CB 3.35Å; Y213-S509 PolarHBondContact O-OG 2.97Å; K270-S509 CarbonylContact O-C 3.52Å; K270-S509 WeakPolarHBondContact O-CA 3.41Å; A271-S509 WeakPolarHBondContact CA-OG 3.44Å; R272-S509 PolarHBondContact N-OG 2.99Å; V273-S509 PolarHBondContact N-OG 3.17Å
510	V	91.7	Very high	82	Confident	46 Å²	46	78.8 Å²	78.8	28%	0.279	40%	0.401	S	S	.	.			trans	-147.1	134.8	-166	176.5	0	0	0	0	107.9	K270 S512	K270-V510 PolarHBondContact O-N 3.09Å; K270-V510 VanDerWaalsContact O-N 3.09Å; V510-S512 WeakPolarHBondContact CG1-O 3.5Å
511	C	90.4	Very high	82.3	Confident	10 Å²	10	79.2 Å²	79.2	7%	0.068	40%	0.403	C	S	.	.	S	Bend	trans	-79.7	-35.4	-175.8	-171.5	0	0	0	0	113.8	Y213 K270 C530 C531	Y213-C511 HydrophobicContact CD1-CB 3.83Å; Y213-C511 HydrophobicContact CD2-CB 3.87Å; Y213-C511 HydrophobicContact CE1-CB 4.23Å; Y213-C511 HydrophobicContact CE2-CB 4.27Å; Y213-C511 HydrophobicContact CG-CB 3.63Å; K270-C511 WeakPolarHBondContact CE-O 3.48Å; K270-C511 PolarHBondContact NZ-O 3.16Å; K270-C511 PolarHBondContact NZ-SG 3.42Å; K270-C511 VanDerWaalsContact NZ-SG 3.39Å; C511-C530 WeakPolarHBondContact CB-O 3.05Å; C511-C531 HydrophobicContact CB-CB 4.04Å; C511-C531 WeakPolarHBondContact CB-SG 3.37Å; C511-C531 VanDerWaalsContact SG-CA 3.6Å; C511-C531 WeakPolarHBondContact SG-CB 3.36Å; C511-C531 CovalentContact SG-SG 2.03Å; C511-C531 PolarHBondContact SG-SG 3.33Å
512	S	88.4	Confident	82.9	Confident	22 Å²	22	76.8 Å²	76.8	15%	0.154	38%	0.384	C	S	.	.	S	Bend	trans	-144.6	136	-176.6	-66.8	0	0	0	0	109.8	V510 W532	V510-S512 WeakPolarHBondContact CG1-O 3.5Å; S512-W532 WeakPolarHBondContact CB-O 3.25Å; S512-W532 WeakPolarHBondContact O-CZ2 3.31Å; S512-W532 PolarHBondContact OG-N 3.11Å; S512-W532 PolarHBondContact OG-O 3.14Å
513	E	86.5	Confident	83.5	Confident	137 Å²	137	73.2 Å²	73.2	64%	0.64	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-73.2	157	179.7	-61	-167.5	127.1	0	0	111.6	C515 W532	E513-C515 PolarHBondContact O-N 2.94Å; E513-W532 PolarHBondContact O-NE1 2.87Å
514	P	88.3	Confident	84	Confident	114 Å²	114	72.7 Å²	72.7	74%	0.74	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-55.9	133.8	172.1	-23.4	34.5	0	0	0	111.2
515	C	89.4	Confident	84.2	Confident	32 Å²	32	79 Å²	79	22%	0.216	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-71.9	149.6	-176.9	-56.9	0	0	0	0	112.4	E513 Q519 C534	E513-C515 PolarHBondContact O-N 2.94Å; C515-Q519 HydrophobicContact CB-CB 4.02Å; C515-C534 WeakPolarHBondContact CA-SG 3.27Å; C515-C534 HydrophobicContact CB-CB 3.69Å; C515-C534 WeakPolarHBondContact CB-SG 3.5Å; C515-C534 VanDerWaalsContact SG-CA 3.5Å; C515-C534 WeakPolarHBondContact SG-CB 3.25Å; C515-C534 CovalentContact SG-SG 2.04Å; C515-C534 PolarHBondContact SG-SG 3.07Å
516	E	86.2	Confident	84.1	Confident	138 Å²	138	79 Å²	79	65%	0.645	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-74.1	165.1	177.6	-55.6	177.3	127.8	0	0	111.7	G518 Q519	E516-G518 PolarHBondContact O-N 3.37Å; E516-Q519 WeakPolarHBondContact O-CB 3.4Å; E516-Q519 PolarHBondContact O-N 2.95Å; E516-Q519 PolarHBondContact OE2-NE2 3.14Å
517	K	80.4	Confident	84	Confident	190 Å²	190	79.9 Å²	79.9	83%	0.826	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	135.2	175.7	-63.7	-172.5	179.3	-173.9	0	110.7	Q519	K517-Q519 VanDerWaalsContact C-N 3.32Å
518	G	80.7	Confident	83.9	Confident	11 Å²	11	81.4 Å²	81.4	11%	0.113	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	2.9	-175.5	0	0	0	0	0	115.5	E516 C537 L562	E516-G518 PolarHBondContact O-N 3.37Å; G518-C537 PolarHBondContact O-N 3.45Å; G518-L562 VanDerWaalsContact CA-CD1 3.45Å
519	Q	88.1	Confident	83.8	Confident	51 Å²	51	76 Å²	76	24%	0.238	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.6	173.7	-58	171.2	12	0	0	110.9	C515 E516 K517 C534 T535 P536	C515-Q519 HydrophobicContact CB-CB 4.02Å; E516-Q519 WeakPolarHBondContact O-CB 3.4Å; E516-Q519 PolarHBondContact O-N 2.95Å; E516-Q519 PolarHBondContact OE2-NE2 3.14Å; K517-Q519 VanDerWaalsContact C-N 3.32Å; Q519-C534 HydrophobicContact CB-CB 4.33Å; Q519-T535 CarbonylContact C-O 3.59Å; Q519-T535 WeakPolarHBondContact CA-O 3.41Å; Q519-P536 HydrophobicContact CG-CB 4.38Å
520	I	89.1	Confident	83.6	Confident	20 Å²	20	76.3 Å²	76.3	10%	0.103	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.7	174.3	55.3	162.2	0	0	0	112	V522 C534 T535 V543 E546	I520-V522 HydrophobicContact CD1-CG2 4.14Å; I520-V522 HydrophobicContact CG1-CG2 4.22Å; I520-V522 PolarHBondContact O-N 3.4Å; I520-C534 WeakPolarHBondContact O-CA 3.06Å; I520-T535 WeakPolarHBondContact CG1-O 3.47Å; I520-T535 PolarHBondContact N-O 3.16Å; I520-T535 PolarHBondContact O-N 3.45Å; I520-V543 HydrophobicContact CG2-CG1 4.21Å; I520-V543 HydrophobicContact CG2-CG2 4.44Å; I520-E546 CarbonylContact C-O 3.59Å; I520-E546 WeakPolarHBondContact CA-O 3.31Å; I520-E546 WeakPolarHBondContact CB-O 3.41Å
521	K	89.3	Confident	83.5	Confident	33 Å²	33	74.7 Å²	74.7	14%	0.143	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.2	171.9	-61.2	177.6	-170.3	171.7	0	109.1	W532 E546 Y547	K521-W532 HydrophobicContact CB-CB 3.88Å; K521-W532 HydrophobicContact CB-CD2 4.48Å; K521-W532 HydrophobicContact CB-CG 3.93Å; K521-W532 HydrophobicContact CD-CD2 4.01Å; K521-W532 HydrophobicContact CD-CE3 4.24Å; K521-W532 HydrophobicContact CD-CG 4.32Å; K521-W532 HydrophobicContact CG-CB 4.41Å; K521-W532 HydrophobicContact CG-CD2 4.11Å; K521-W532 HydrophobicContact CG-CG 3.91Å; K521-E546 HydrophobicContact CD-CB 4.29Å; K521-E546 VanDerWaalsContact CE-OE1 3.32Å; K521-E546 WeakPolarHBondContact CE-OE1 3.39Å; K521-E546 PolarHBondContact N-O 3.49Å; K521-E546 IonicContact NZ-OE1 3.04Å; K521-E546 PolarHBondContact NZ-OE1 3.47Å; K521-E546 IonicContact NZ-OE2 3.18Å; K521-E546 PolarHBondContact NZ-OE2 3.24Å; K521-Y547 HydrophobicContact CB-CD1 3.92Å; K521-Y547 HydrophobicContact CB-CE1 3.84Å; K521-Y547 HydrophobicContact CD-CE1 4.33Å; K521-Y547 VanDerWaalsContact O-CD1 3.3Å; K521-Y547 WeakPolarHBondContact O-CD1 3.36Å
522	V	86.8	Confident	83.5	Confident	52 Å²	52	76.1 Å²	76.1	32%	0.315	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.8	172.6	-177.9	0	0	0	0	109.5	I520 W532 T533 T535	I520-V522 HydrophobicContact CD1-CG2 4.14Å; I520-V522 HydrophobicContact CG1-CG2 4.22Å; I520-V522 PolarHBondContact O-N 3.4Å; V522-W532 WeakPolarHBondContact O-CA 3.38Å; V522-T533 WeakPolarHBondContact CB-O 2.96Å; V522-T533 PolarHBondContact N-O 3.4Å; V522-T533 PolarHBondContact O-N 2.99Å; V522-T533 PolarHBondContact O-OG1 3.48Å; V522-T535 WeakPolarHBondContact CG2-OG1 3.36Å
523	I	84.6	Confident	83.5	Confident	65 Å²	65	77.4 Å²	77.4	33%	0.333	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.8	175.2	-58.4	162.7	0	0	0	108.6	S529 W532 Y547	I523-S529 WeakPolarHBondContact CD1-O 3.39Å; I523-W532 HydrophobicContact CG1-CB 4.15Å; I523-Y547 HydrophobicContact CD1-CE1 3.74Å; I523-Y547 HydrophobicContact CG1-CE1 4.34Å
524	R	77.5	Confident	83.8	Confident	142 Å²	142	73.1 Å²	73.1	54%	0.536	39%	0.394	S	S	.	.			trans	-85.2	144.3	178.8	-68.6	170.6	169	-172.2	0.1	111.1	G526 E527	R524-G526 PolarHBondContact O-N 3.32Å; R524-E527 HydrophobicContact CB-CB 4.36Å; R524-E527 HydrophobicContact CB-CG 4.14Å; R524-E527 WeakPolarHBondContact CD-OE1 3.47Å; R524-E527 WeakPolarHBondContact CD-OE2 3.06Å; R524-E527 IonicContact NH1-OE1 3.42Å; R524-E527 PolarHBondContact O-N 2.82Å
525	K	68.2	Low	83.8	Confident	224 Å²	224	70.5 Å²	70.5	97%	0.974	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	111.5	176.4	-67.5	-172	177.2	-173.7	0	110
526	G	67.9	Low	83.9	Confident	87 Å²	87	73.3 Å²	73.3	90%	0.897	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.7	-7.2	-178.1	0	0	0	0	0	114.9	R524	R524-G526 PolarHBondContact O-N 3.32Å
527	E	72.9	Confident	84	Confident	86 Å²	86	67.8 Å²	67.8	40%	0.402	37%	0.37	S	S	.	.	S	Bend	trans	-95.6	155.8	169.5	-66.9	173	-164	0	0	109.9	R524	R524-E527 HydrophobicContact CB-CB 4.36Å; R524-E527 HydrophobicContact CB-CG 4.14Å; R524-E527 WeakPolarHBondContact CD-OE1 3.47Å; R524-E527 WeakPolarHBondContact CD-OE2 3.06Å; R524-E527 IonicContact NH1-OE1 3.42Å; R524-E527 PolarHBondContact O-N 2.82Å
528	V	80.8	Confident	84.3	Confident	59 Å²	59	65.2 Å²	65.2	36%	0.358	36%	0.359	S	S	.	.			trans	-74.4	155.4	179.8	-64.5	0	0	0	0	112	Y213 C241 C530 C531	Y213-V528 HydrophobicContact CD2-CG2 4.36Å; Y213-V528 HydrophobicContact CE2-CG2 3.87Å; C241-V528 HydrophobicContact CB-CG2 4.23Å; V528-C530 VanDerWaalsContact C-N 3.26Å; V528-C530 PolarHBondContact O-N 2.61Å; V528-C530 VanDerWaalsContact O-N 3.13Å; V528-C531 HydrophobicContact CG2-CB 4.17Å; V528-C531 WeakPolarHBondContact CG2-SG 3.45Å; V528-C531 WeakPolarHBondContact O-CB 3.42Å; V528-C531 PolarHBondContact O-N 3.11Å
529	S	80.9	Confident	84.5	Confident	76 Å²	76	71 Å²	71	53%	0.531	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.4	-173	45.2	0	0	0	0	115.2	C241 I523 C531	C241-S529 PolarHBondContact SG-OG 3.23Å; I523-S529 WeakPolarHBondContact CD1-O 3.39Å; S529-C531 VanDerWaalsContact C-N 3.27Å; S529-C531 PolarHBondContact O-N 2.79Å
530	C	87.4	Confident	84.5	Confident	8 Å²	8	70.4 Å²	70.4	5%	0.054	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5	178.1	-44.6	0	0	0	0	113.9	T212 G239 C241 C511 V528	T212-C530 PolarHBondContact O-SG 2.77Å; T212-C530 VanDerWaalsContact O-SG 3.39Å; G239-C530 PolarHBondContact O-SG 3.08Å; G239-C530 VanDerWaalsContact O-SG 3.39Å; C241-C530 HydrophobicContact CB-CB 3.68Å; C241-C530 WeakPolarHBondContact CB-SG 3.22Å; C241-C530 PolarHBondContact N-SG 2.82Å; C241-C530 WeakPolarHBondContact SG-CB 3.34Å; C241-C530 PolarHBondContact SG-N 2.89Å; C241-C530 CovalentContact SG-SG 2.04Å; C241-C530 PolarHBondContact SG-SG 2.87Å; C511-C530 WeakPolarHBondContact CB-O 3.05Å; V528-C530 VanDerWaalsContact C-N 3.26Å; V528-C530 PolarHBondContact O-N 2.61Å; V528-C530 VanDerWaalsContact O-N 3.13Å
531	C	89.6	Confident	84.5	Confident	12 Å²	12	71.2 Å²	71.2	8%	0.081	39%	0.385	C	S	.	.			trans	-103.1	83.1	175.2	-63.3	0	0	0	0	109.8	C511 V528 S529	C511-C531 HydrophobicContact CB-CB 4.04Å; C511-C531 WeakPolarHBondContact CB-SG 3.37Å; C511-C531 VanDerWaalsContact SG-CA 3.6Å; C511-C531 WeakPolarHBondContact SG-CB 3.36Å; C511-C531 CovalentContact SG-SG 2.03Å; C511-C531 PolarHBondContact SG-SG 3.33Å; V528-C531 HydrophobicContact CG2-CB 4.17Å; V528-C531 WeakPolarHBondContact CG2-SG 3.45Å; V528-C531 WeakPolarHBondContact O-CB 3.42Å; V528-C531 PolarHBondContact O-N 3.11Å; S529-C531 VanDerWaalsContact C-N 3.27Å; S529-C531 PolarHBondContact O-N 2.79Å
532	W	89.7	Confident	84.6	Confident	39 Å²	39	71.1 Å²	71.1	15%	0.148	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	152	172.1	56.1	77.9	0	0	0	111.8	S512 E513 K521 V522 I523	S512-W532 WeakPolarHBondContact CB-O 3.25Å; S512-W532 WeakPolarHBondContact O-CZ2 3.31Å; S512-W532 PolarHBondContact OG-N 3.11Å; S512-W532 PolarHBondContact OG-O 3.14Å; E513-W532 PolarHBondContact O-NE1 2.87Å; K521-W532 HydrophobicContact CB-CB 3.88Å; K521-W532 HydrophobicContact CB-CD2 4.48Å; K521-W532 HydrophobicContact CB-CG 3.93Å; K521-W532 HydrophobicContact CD-CD2 4.01Å; K521-W532 HydrophobicContact CD-CE3 4.24Å; K521-W532 HydrophobicContact CD-CG 4.32Å; K521-W532 HydrophobicContact CG-CB 4.41Å; K521-W532 HydrophobicContact CG-CD2 4.11Å; K521-W532 HydrophobicContact CG-CG 3.91Å; V522-W532 WeakPolarHBondContact O-CA 3.38Å; I523-W532 HydrophobicContact CG1-CB 4.15Å
533	T	89.8	Confident	84.8	Confident	49 Å²	49	70.5 Å²	70.5	30%	0.301	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120	163.5	54.5	0	0	0	0	109.6	V522 T535	V522-T533 WeakPolarHBondContact CB-O 2.96Å; V522-T533 PolarHBondContact N-O 3.4Å; V522-T533 PolarHBondContact O-N 2.99Å; V522-T533 PolarHBondContact O-OG1 3.48Å; T533-T535 PolarHBondContact O-N 2.86Å; T533-T535 PolarHBondContact O-OG1 3.28Å
534	C	91.6	Very high	84.9	Confident	48 Å²	48	73.2 Å²	73.2	32%	0.324	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.4	175.4	-58	0	0	0	0	110.3	C515 Q519 I520	C515-C534 WeakPolarHBondContact CA-SG 3.27Å; C515-C534 HydrophobicContact CB-CB 3.69Å; C515-C534 WeakPolarHBondContact CB-SG 3.5Å; C515-C534 VanDerWaalsContact SG-CA 3.5Å; C515-C534 WeakPolarHBondContact SG-CB 3.25Å; C515-C534 CovalentContact SG-SG 2.04Å; C515-C534 PolarHBondContact SG-SG 3.07Å; Q519-C534 HydrophobicContact CB-CB 4.33Å; I520-C534 WeakPolarHBondContact O-CA 3.06Å
535	T	90.1	Very high	85.3	Confident	58 Å²	58	70.3 Å²	70.3	36%	0.356	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.3	-175.5	-55	0	0	0	0	109.5	Q519 I520 V522 T533	Q519-T535 CarbonylContact C-O 3.59Å; Q519-T535 WeakPolarHBondContact CA-O 3.41Å; I520-T535 WeakPolarHBondContact CG1-O 3.47Å; I520-T535 PolarHBondContact N-O 3.16Å; I520-T535 PolarHBondContact O-N 3.45Å; V522-T535 WeakPolarHBondContact CG2-OG1 3.36Å; T533-T535 PolarHBondContact O-N 2.86Å; T533-T535 PolarHBondContact O-OG1 3.28Å
536	P	90.5	Very high	86.1	Confident	92 Å²	92	64.2 Å²	64.2	60%	0.597	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	142.9	-179.8	28.3	-34.7	0	0	0	112.3	Q519	Q519-P536 HydrophobicContact CG-CB 4.38Å
537	C	88.9	Confident	87.1	Confident	21 Å²	21	65.1 Å²	65.1	14%	0.142	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67	159.5	166.9	-60.2	0	0	0	0	111.3	G518 E541 C549	G518-C537 PolarHBondContact O-N 3.45Å; C537-E541 HydrophobicContact CB-CB 4.12Å; C537-C549 WeakPolarHBondContact CA-SG 3.08Å; C537-C549 HydrophobicContact CB-CB 3.77Å; C537-C549 WeakPolarHBondContact CB-SG 3.49Å; C537-C549 WeakPolarHBondContact SG-CB 3.28Å; C537-C549 CovalentContact SG-SG 2.04Å; C537-C549 PolarHBondContact SG-SG 3.27Å
538	K	86.9	Confident	87.9	Confident	137 Å²	137	64.4 Å²	64.4	60%	0.596	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-75.8	160.7	172.6	-58.3	175.5	-149.7	71.5	0	110.4	N540 E541	K538-N540 PolarHBondContact O-N 2.71Å; K538-E541 HydrophobicContact CB-CB 4.44Å; K538-E541 HydrophobicContact CB-CG 4.15Å; K538-E541 WeakPolarHBondContact CB-OE2 3.43Å; K538-E541 VanDerWaalsContact CG-OE2 3.28Å; K538-E541 WeakPolarHBondContact CG-OE2 3.34Å; K538-E541 PolarHBondContact N-OE2 3.02Å; K538-E541 IonicContact NZ-OE1 2.71Å; K538-E541 PolarHBondContact NZ-OE1 3.39Å; K538-E541 IonicContact NZ-OE2 3.88Å; K538-E541 PolarHBondContact NZ-OE2 2.8Å; K538-E541 WeakPolarHBondContact O-CA 3.48Å; K538-E541 WeakPolarHBondContact O-CB 3.34Å; K538-E541 PolarHBondContact O-N 3.21Å
539	E	84.9	Confident	88.4	Confident	133 Å²	133	63 Å²	63	62%	0.621	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.7	-178	-58.9	-178.6	-160.6	0	0	115.7	W557 P558 R727	E539-W557 HydrophobicContact CB-CH2 3.77Å; E539-W557 HydrophobicContact CB-CZ2 4.07Å; E539-W557 VanDerWaalsContact O-CH2 3.24Å; E539-W557 WeakPolarHBondContact O-CH2 3.43Å; E539-W557 WeakPolarHBondContact O-CZ2 3.37Å; E539-P558 WeakPolarHBondContact O-CG 3.41Å; E539-R727 IonicContact OE2-CZ 2.66Å; E539-R727 IonicContact OE2-NE 2.63Å; E539-R727 IonicContact OE2-NH2 3.58Å; E539-R727 PolarHBondContact OE2-NH2 2.91Å
540	N	87	Confident	88.9	Confident	38 Å²	38	63.7 Å²	63.7	20%	0.203	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	17.1	176.8	-167.5	74.4	0	0	0	112.5	K538 A551 C552 I726	K538-N540 PolarHBondContact O-N 2.71Å; N540-A551 WeakPolarHBondContact O-CA 3.44Å; N540-C552 PolarHBondContact ND2-O 2.86Å; N540-C552 PolarHBondContact O-N 3.03Å; N540-I726 HydrophobicContact CB-CD1 4.36Å
541	E	89.6	Confident	89	Confident	36 Å²	36	66.1 Å²	66.1	17%	0.168	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.7	-177.6	-64.9	170.3	171.8	0	0	110.5	C537 K538 C549 K550 A551	C537-E541 HydrophobicContact CB-CB 4.12Å; K538-E541 HydrophobicContact CB-CB 4.44Å; K538-E541 HydrophobicContact CB-CG 4.15Å; K538-E541 WeakPolarHBondContact CB-OE2 3.43Å; K538-E541 VanDerWaalsContact CG-OE2 3.28Å; K538-E541 WeakPolarHBondContact CG-OE2 3.34Å; K538-E541 PolarHBondContact N-OE2 3.02Å; K538-E541 IonicContact NZ-OE1 2.71Å; K538-E541 PolarHBondContact NZ-OE1 3.39Å; K538-E541 IonicContact NZ-OE2 3.88Å; K538-E541 PolarHBondContact NZ-OE2 2.8Å; K538-E541 WeakPolarHBondContact O-CA 3.48Å; K538-E541 WeakPolarHBondContact O-CB 3.34Å; K538-E541 PolarHBondContact O-N 3.21Å; E541-C549 HydrophobicContact CB-CB 4.12Å; E541-K550 CarbonylContact C-O 3.59Å; E541-K550 VanDerWaalsContact CA-O 3.24Å; E541-K550 WeakPolarHBondContact CA-O 3.19Å; E541-A551 HydrophobicContact CG-CB 4.05Å
542	Y	90.3	Very high	89.1	Confident	32 Å²	32	66.1 Å²	66.1	13%	0.125	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	161.1	175.7	71	-88	0	0	0	110.4	F544 C549 K550 L562 T563 C565	Y542-F544 HydrophobicContact CD2-CB 4.49Å; Y542-F544 HydrophobicContact CE2-CB 4Å; Y542-F544 HydrophobicContact CE2-CD2 4.05Å; Y542-F544 PolarHBondContact O-N 3.17Å; Y542-C549 CarbonylContact O-C 3.58Å; Y542-C549 VanDerWaalsContact O-CA 3.28Å; Y542-C549 WeakPolarHBondContact O-CA 3.08Å; Y542-K550 WeakPolarHBondContact CD1-O 3.3Å; Y542-K550 HydrophobicContact CE1-CB 4.09Å; Y542-K550 HydrophobicContact CE1-CD 4.43Å; Y542-K550 HydrophobicContact CE1-CG 4.18Å; Y542-K550 PolarHBondContact N-O 3.22Å; Y542-K550 PolarHBondContact O-N 3.13Å; Y542-L562 WeakPolarHBondContact CB-O 3.42Å; Y542-T563 VanDerWaalsContact CD2-O 3.22Å; Y542-T563 WeakPolarHBondContact CD2-O 3.39Å; Y542-T563 WeakPolarHBondContact CE2-O 3.4Å; Y542-C565 WeakPolarHBondContact CD1-SG 3.37Å; Y542-C565 WeakPolarHBondContact CE1-SG 3.38Å
543	V	91.4	Very high	89.1	Confident	38 Å²	38	72 Å²	72	23%	0.23	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	110	175.5	-178.2	0	0	0	0	108.2	I520 D545 L562	I520-V543 HydrophobicContact CG2-CG1 4.21Å; I520-V543 HydrophobicContact CG2-CG2 4.44Å; V543-D545 WeakPolarHBondContact CG1-O 3.37Å; V543-L562 PolarHBondContact N-O 3.31Å
544	F	87.6	Confident	88.9	Confident	122 Å²	122	76.3 Å²	76.3	54%	0.535	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-31.2	177.9	176.4	-98.1	0	0	0	112.1	Y542 T548 K550	Y542-F544 HydrophobicContact CD2-CB 4.49Å; Y542-F544 HydrophobicContact CE2-CB 4Å; Y542-F544 HydrophobicContact CE2-CD2 4.05Å; Y542-F544 PolarHBondContact O-N 3.17Å; F544-T548 PolarHBondContact N-O 2.92Å; F544-K550 HydrophobicContact CB-CB 3.71Å; F544-K550 HydrophobicContact CB-CD 3.99Å; F544-K550 HydrophobicContact CD1-CD 4.39Å; F544-K550 HydrophobicContact CD2-CD 3.71Å; F544-K550 HydrophobicContact CE2-CD 4.33Å; F544-K550 HydrophobicContact CG-CB 4.37Å; F544-K550 HydrophobicContact CG-CD 3.75Å
545	D	85.5	Confident	88.6	Confident	81 Å²	81	74.5 Å²	74.5	43%	0.433	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160.8	175.2	173.9	42.5	0	0	0	108.2	V543 Y547 T548	V543-D545 WeakPolarHBondContact CG1-O 3.37Å; D545-Y547 PolarHBondContact O-N 3.48Å; D545-T548 PolarHBondContact N-O 3.09Å; D545-T548 PolarHBondContact O-N 3.38Å
546	E	85.6	Confident	88.6	Confident	97 Å²	97	72.2 Å²	72.2	45%	0.453	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.2	-179	-66.4	-159.8	123.3	0	0	113.3	I520 K521	I520-E546 CarbonylContact C-O 3.59Å; I520-E546 WeakPolarHBondContact CA-O 3.31Å; I520-E546 WeakPolarHBondContact CB-O 3.41Å; K521-E546 HydrophobicContact CD-CB 4.29Å; K521-E546 VanDerWaalsContact CE-OE1 3.32Å; K521-E546 WeakPolarHBondContact CE-OE1 3.39Å; K521-E546 PolarHBondContact N-O 3.49Å; K521-E546 IonicContact NZ-OE1 3.04Å; K521-E546 PolarHBondContact NZ-OE1 3.47Å; K521-E546 IonicContact NZ-OE2 3.18Å; K521-E546 PolarHBondContact NZ-OE2 3.24Å
547	Y	88.1	Confident	88.6	Confident	105 Å²	105	70.4 Å²	70.4	41%	0.412	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-0.9	-178.2	-58.5	-82.5	0	0	0	114	K521 I523 D545	K521-Y547 HydrophobicContact CB-CD1 3.92Å; K521-Y547 HydrophobicContact CB-CE1 3.84Å; K521-Y547 HydrophobicContact CD-CE1 4.33Å; K521-Y547 VanDerWaalsContact O-CD1 3.3Å; K521-Y547 WeakPolarHBondContact O-CD1 3.36Å; I523-Y547 HydrophobicContact CD1-CE1 3.74Å; I523-Y547 HydrophobicContact CG1-CE1 4.34Å; D545-Y547 PolarHBondContact O-N 3.48Å
548	T	90.2	Very high	88.7	Confident	71 Å²	71	69.7 Å²	69.7	44%	0.436	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	118	-170.5	-69	0	0	0	0	114.3	F544 D545	F544-T548 PolarHBondContact N-O 2.92Å; D545-T548 PolarHBondContact N-O 3.09Å; D545-T548 PolarHBondContact O-N 3.38Å
549	C	91.6	Very high	88.8	Confident	29 Å²	29	64.3 Å²	64.3	20%	0.196	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	145.8	163.6	-54.1	0	0	0	0	110.7	C537 E541 Y542	C537-C549 WeakPolarHBondContact CA-SG 3.08Å; C537-C549 HydrophobicContact CB-CB 3.77Å; C537-C549 WeakPolarHBondContact CB-SG 3.49Å; C537-C549 WeakPolarHBondContact SG-CB 3.28Å; C537-C549 CovalentContact SG-SG 2.04Å; C537-C549 PolarHBondContact SG-SG 3.27Å; E541-C549 HydrophobicContact CB-CB 4.12Å; Y542-C549 CarbonylContact O-C 3.58Å; Y542-C549 VanDerWaalsContact O-CA 3.28Å; Y542-C549 WeakPolarHBondContact O-CA 3.08Å
550	K	90.8	Very high	88.7	Confident	92 Å²	92	66.3 Å²	66.3	40%	0.4	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.2	-179.3	-174.1	172.3	173	-171.4	0	111.3	E541 Y542 F544	E541-K550 CarbonylContact C-O 3.59Å; E541-K550 VanDerWaalsContact CA-O 3.24Å; E541-K550 WeakPolarHBondContact CA-O 3.19Å; Y542-K550 WeakPolarHBondContact CD1-O 3.3Å; Y542-K550 HydrophobicContact CE1-CB 4.09Å; Y542-K550 HydrophobicContact CE1-CD 4.43Å; Y542-K550 HydrophobicContact CE1-CG 4.18Å; Y542-K550 PolarHBondContact N-O 3.22Å; Y542-K550 PolarHBondContact O-N 3.13Å; F544-K550 HydrophobicContact CB-CB 3.71Å; F544-K550 HydrophobicContact CB-CD 3.99Å; F544-K550 HydrophobicContact CD1-CD 4.39Å; F544-K550 HydrophobicContact CD2-CD 3.71Å; F544-K550 HydrophobicContact CE2-CD 4.33Å; F544-K550 HydrophobicContact CG-CB 4.37Å; F544-K550 HydrophobicContact CG-CD 3.75Å
551	A	90.1	Very high	88.5	Confident	58 Å²	58	68.2 Å²	68.2	48%	0.479	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.7	-176.8	0	0	0	0	0	113.1	N540 E541	N540-A551 WeakPolarHBondContact O-CA 3.44Å; E541-A551 HydrophobicContact CG-CB 4.05Å
552	C	90.3	Very high	88.3	Confident	12 Å²	12	68.9 Å²	68.9	8%	0.081	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-73.1	155.6	169.1	-69.6	0	0	0	0	112.2	N540 C565	N540-C552 PolarHBondContact ND2-O 2.86Å; N540-C552 PolarHBondContact O-N 3.03Å; C552-C565 WeakPolarHBondContact CA-SG 3.44Å; C552-C565 HydrophobicContact CB-CB 3.85Å; C552-C565 WeakPolarHBondContact CB-SG 3.39Å; C552-C565 WeakPolarHBondContact SG-CB 3.44Å; C552-C565 CovalentContact SG-SG 2.04Å; C552-C565 PolarHBondContact SG-SG 3Å
553	Q	89.4	Confident	88	Confident	162 Å²	162	71.6 Å²	71.6	76%	0.757	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-76.1	158.8	179.6	-58.6	-174.2	15.9	0	0	111.3	G555 S556	Q553-G555 PolarHBondContact O-N 2.76Å; Q553-S556 WeakPolarHBondContact CA-OG 3.14Å; Q553-S556 PolarHBondContact N-OG 3.33Å; Q553-S556 PolarHBondContact O-N 2.82Å; Q553-S556 PolarHBondContact O-OG 3.24Å
554	L	86.4	Confident	87.9	Confident	141 Å²	141	70.6 Å²	70.6	74%	0.738	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	125.5	175.6	-70.1	168.4	0	0	0	111
555	G	85.4	Confident	88.1	Confident	9 Å²	9	67.1 Å²	67.1	9%	0.093	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	1.9	-174.3	0	0	0	0	0	115.2	Q553 I568	Q553-G555 PolarHBondContact O-N 2.76Å; G555-I568 PolarHBondContact O-N 3.41Å
556	S	89.8	Confident	88.4	Confident	10 Å²	10	68.4 Å²	68.4	7%	0.07	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152	170.6	65.5	0	0	0	0	111.5	Q553 D566	Q553-S556 WeakPolarHBondContact CA-OG 3.14Å; Q553-S556 PolarHBondContact N-OG 3.33Å; Q553-S556 PolarHBondContact O-N 2.82Å; Q553-S556 PolarHBondContact O-OG 3.24Å; S556-D566 CarbonylContact C-O 3.41Å; S556-D566 WeakPolarHBondContact CA-O 3.44Å; S556-D566 VanDerWaalsContact CB-O 3.24Å; S556-D566 WeakPolarHBondContact CB-O 3.45Å
557	W	90	Very high	88.5	Confident	54 Å²	54	70.9 Å²	70.9	21%	0.205	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.3	-175.9	-172.6	-97.6	0	0	0	109.9	E539 C565 D566 I568 I726 R727	E539-W557 HydrophobicContact CB-CH2 3.77Å; E539-W557 HydrophobicContact CB-CZ2 4.07Å; E539-W557 VanDerWaalsContact O-CH2 3.24Å; E539-W557 WeakPolarHBondContact O-CH2 3.43Å; E539-W557 WeakPolarHBondContact O-CZ2 3.37Å; W557-C565 CarbonylContact O-C 3.55Å; W557-C565 VanDerWaalsContact O-CA 3.27Å; W557-C565 WeakPolarHBondContact O-CA 3.24Å; W557-D566 PolarHBondContact N-O 3.13Å; W557-D566 PolarHBondContact O-N 3Å; W557-I568 HydrophobicContact CB-CD1 4.15Å; W557-I568 HydrophobicContact CB-CG1 3.88Å; W557-I726 HydrophobicContact CZ3-CD1 4.04Å; W557-I726 HydrophobicContact CZ3-CG1 4.19Å; W557-R727 HydrophobicContact CE3-CG 3.85Å; W557-R727 HydrophobicContact CH2-CG 3.99Å; W557-R727 VanDerWaalsContact CZ2-NH2 3.26Å; W557-R727 HydrophobicContact CZ3-CG 3.52Å
558	P	91.6	Very high	88.6	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.039	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	145.4	176.7	-27.5	36.1	0	0	0	113.6	E539 L562 G564	E539-P558 WeakPolarHBondContact O-CG 3.41Å; P558-L562 HydrophobicContact CB-CD2 3.57Å; P558-G564 WeakPolarHBondContact CA-O 3.47Å
559	T	88.3	Confident	88.5	Confident	24 Å²	24	69 Å²	69	15%	0.147	39%	0.385	C	S	.	.			trans	-67.4	158.1	172.4	54.3	0	0	0	0	111.4	D561 L562 T563 G564	T559-D561 WeakPolarHBondContact CB-OD1 3.43Å; T559-D561 PolarHBondContact O-N 3.39Å; T559-D561 PolarHBondContact OG1-OD1 2.71Å; T559-L562 WeakPolarHBondContact O-CA 3.38Å; T559-L562 PolarHBondContact O-N 2.62Å; T559-T563 PolarHBondContact OG1-N 3.39Å; T559-G564 PolarHBondContact N-O 3.25Å; T559-G564 VanDerWaalsContact N-O 3.09Å; T559-G564 PolarHBondContact OG1-N 3.15Å; T559-G564 VanDerWaalsContact OG1-N 3.09Å
560	D	83.2	Confident	88.4	Confident	176 Å²	176	69.8 Å²	69.8	94%	0.941	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.9	-178.1	-71.5	-40.4	0	0	0	113.6
561	D	83.9	Confident	88.1	Confident	77 Å²	77	69.5 Å²	69.5	41%	0.412	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.1	173.4	69.8	-29.3	0	0	0	113.6	T559 T563	T559-D561 WeakPolarHBondContact CB-OD1 3.43Å; T559-D561 PolarHBondContact O-N 3.39Å; T559-D561 PolarHBondContact OG1-OD1 2.71Å; D561-T563 VanDerWaalsContact C-N 3.32Å; D561-T563 HydrophobicContact CB-CG2 4.4Å; D561-T563 PolarHBondContact O-N 2.59Å; D561-T563 PolarHBondContact OD1-OG1 2.95Å; D561-T563 WeakPolarHBondContact OD2-CB 3.48Å; D561-T563 WeakPolarHBondContact OD2-CG2 3.38Å; D561-T563 PolarHBondContact OD2-OG1 2.96Å
562	L	84.4	Confident	87.9	Confident	50 Å²	50	70.2 Å²	70.2	26%	0.262	38%	0.38	S	S	.	.	S	Bend	trans	56.1	38	-179.1	-60.2	170.5	0	0	0	113.9	G518 Y542 V543 P558 T559	G518-L562 VanDerWaalsContact CA-CD1 3.45Å; Y542-L562 WeakPolarHBondContact CB-O 3.42Å; V543-L562 PolarHBondContact N-O 3.31Å; P558-L562 HydrophobicContact CB-CD2 3.57Å; T559-L562 WeakPolarHBondContact O-CA 3.38Å; T559-L562 PolarHBondContact O-N 2.62Å
563	T	85.3	Confident	87.6	Confident	89 Å²	89	72 Å²	72	55%	0.546	39%	0.388	S	S	.	.	S	Bend	trans	-103.9	-19.2	175.4	63.5	0	0	0	0	114.1	Y542 T559 D561	Y542-T563 VanDerWaalsContact CD2-O 3.22Å; Y542-T563 WeakPolarHBondContact CD2-O 3.39Å; Y542-T563 WeakPolarHBondContact CE2-O 3.4Å; T559-T563 PolarHBondContact OG1-N 3.39Å; D561-T563 VanDerWaalsContact C-N 3.32Å; D561-T563 HydrophobicContact CB-CG2 4.4Å; D561-T563 PolarHBondContact O-N 2.59Å; D561-T563 PolarHBondContact OD1-OG1 2.95Å; D561-T563 WeakPolarHBondContact OD2-CB 3.48Å; D561-T563 WeakPolarHBondContact OD2-CG2 3.38Å; D561-T563 PolarHBondContact OD2-OG1 2.96Å
564	G	87.9	Confident	87.3	Confident	18 Å²	18	71.3 Å²	71.3	19%	0.186	38%	0.379	C	S	.	.	S	Bend	trans	-150.5	-161.3	-177.2	0	0	0	0	0	113.8	P558 T559	P558-G564 WeakPolarHBondContact CA-O 3.47Å; T559-G564 PolarHBondContact N-O 3.25Å; T559-G564 VanDerWaalsContact N-O 3.09Å; T559-G564 PolarHBondContact OG1-N 3.15Å; T559-G564 VanDerWaalsContact OG1-N 3.09Å
565	C	92.3	Very high	87.1	Confident	48 Å²	48	70.5 Å²	70.5	32%	0.324	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.6	178.5	-54.9	0	0	0	0	111	Y542 C552 W557	Y542-C565 WeakPolarHBondContact CD1-SG 3.37Å; Y542-C565 WeakPolarHBondContact CE1-SG 3.38Å; C552-C565 WeakPolarHBondContact CA-SG 3.44Å; C552-C565 HydrophobicContact CB-CB 3.85Å; C552-C565 WeakPolarHBondContact CB-SG 3.39Å; C552-C565 WeakPolarHBondContact SG-CB 3.44Å; C552-C565 CovalentContact SG-SG 2.04Å; C552-C565 PolarHBondContact SG-SG 3Å; W557-C565 CarbonylContact O-C 3.55Å; W557-C565 VanDerWaalsContact O-CA 3.27Å; W557-C565 WeakPolarHBondContact O-CA 3.24Å
566	D	91.3	Very high	87	Confident	109 Å²	109	73 Å²	73	58%	0.583	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	155.7	172.9	-85.2	-35.3	0	0	0	112.1	S556 W557	S556-D566 CarbonylContact C-O 3.41Å; S556-D566 WeakPolarHBondContact CA-O 3.44Å; S556-D566 VanDerWaalsContact CB-O 3.24Å; S556-D566 WeakPolarHBondContact CB-O 3.45Å; W557-D566 PolarHBondContact N-O 3.13Å; W557-D566 PolarHBondContact O-N 3Å
567	L	89	Confident	86.9	Confident	149 Å²	149	75.2 Å²	75.2	78%	0.78	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	127.8	177.8	-70.8	172.1	0	0	0	111.7
568	I	89.8	Confident	86.9	Confident	26 Å²	26	77.6 Å²	77.6	13%	0.133	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-68.2	128.8	-179.9	-61	168	0	0	0	109.4	G555 W557 V570 I726 V729	G555-I568 PolarHBondContact O-N 3.41Å; W557-I568 HydrophobicContact CB-CD1 4.15Å; W557-I568 HydrophobicContact CB-CG1 3.88Å; I568-V570 PolarHBondContact O-N 2.97Å; I568-I726 WeakPolarHBondContact CD1-O 3.45Å; I568-V729 HydrophobicContact CB-CG2 3.79Å; I568-V729 HydrophobicContact CD1-CG2 4.34Å; I568-V729 HydrophobicContact CG2-CG2 3.87Å
569	P	88.2	Confident	86.6	Confident	110 Å²	110	81.7 Å²	81.7	71%	0.714	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-67.2	123.1	-176.8	25.8	-34.4	0	0	0	111.7	Q571	P569-Q571 PolarHBondContact O-N 3.1Å
570	V	88.8	Confident	86.7	Confident	46 Å²	46	80.6 Å²	80.6	28%	0.279	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-63.6	124	-174.4	-58	0	0	0	0	112.7	I568 V729 L731	I568-V570 PolarHBondContact O-N 2.97Å; V570-V729 WeakPolarHBondContact CA-O 3.33Å; V570-V729 HydrophobicContact CG1-CB 4.43Å; V570-V729 HydrophobicContact CG1-CG1 3.9Å; V570-L731 HydrophobicContact CB-CB 4.3Å; V570-L731 HydrophobicContact CG2-CB 4.29Å; V570-L731 HydrophobicContact CG2-CD2 4.5Å
571	Q	84.5	Confident	87.1	Confident	85 Å²	85	75.9 Å²	75.9	40%	0.397	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-78.2	140.4	172.6	-57.6	-164.7	32.3	0	0	110.3	P569 V729 Y730 L731	P569-Q571 PolarHBondContact O-N 3.1Å; Q571-V729 PolarHBondContact N-O 2.7Å; Q571-Y730 HydrophobicContact CB-CD1 3.85Å; Q571-Y730 HydrophobicContact CB-CE1 3.96Å; Q571-Y730 HydrophobicContact CB-CG 4.43Å; Q571-Y730 CarbonylContact O-C 3.1Å; Q571-Y730 WeakPolarHBondContact O-CA 3.4Å; Q571-L731 PolarHBondContact O-N 3.13Å
572	Y	86.1	Confident	87.5	Confident	73 Å²	73	74.7 Å²	74.7	29%	0.286	41%	0.412	S	S	.	.			trans	-155.7	153.6	174.1	61.3	-87.9	0	0	0	108.5	R574 K638	Y572-R574 HydrophobicContact CE2-CG 4.24Å; Y572-R574 WeakPolarHBondContact O-CG 3.24Å; Y572-R574 PolarHBondContact O-N 3.1Å; Y572-K638 HydrophobicContact CD1-CD 4.15Å; Y572-K638 HydrophobicContact CD1-CG 4.34Å; Y572-K638 HydrophobicContact CD2-CB 3.88Å; Y572-K638 HydrophobicContact CD2-CD 4.08Å; Y572-K638 HydrophobicContact CD2-CG 3.73Å; Y572-K638 HydrophobicContact CE1-CD 3.84Å; Y572-K638 HydrophobicContact CE1-CG 4.45Å; Y572-K638 HydrophobicContact CE2-CB 3.92Å; Y572-K638 HydrophobicContact CE2-CD 3.76Å; Y572-K638 HydrophobicContact CE2-CG 3.87Å; Y572-K638 HydrophobicContact CG-CD 4.27Å; Y572-K638 HydrophobicContact CG-CG 3.98Å
573	L	83.5	Confident	87.8	Confident	50 Å²	50	72.3 Å²	72.3	26%	0.262	40%	0.4	S	S	.	.			trans	-58.7	120.6	-178.3	-160.2	63.4	0	0	0	110.7	P580 I636 I799 I800	L573-P580 HydrophobicContact CD1-CG 3.43Å; L573-P580 VanDerWaalsContact CD1-CG 3.43Å; L573-P580 HydrophobicContact CD2-CG 3.9Å; L573-P580 HydrophobicContact CG-CB 4.43Å; L573-P580 HydrophobicContact CG-CG 3.5Å; L573-P580 VanDerWaalsContact CG-CG 3.5Å; L573-I636 HydrophobicContact CD2-CG1 4.3Å; L573-I799 HydrophobicContact CD2-CG2 4.12Å; L573-I800 HydrophobicContact CD1-CD1 4.06Å; L573-I800 HydrophobicContact CD1-CG1 4.39Å; L573-I800 HydrophobicContact CD2-CG1 4.06Å
574	R	84.4	Confident	88.1	Confident	147 Å²	147	69.3 Å²	69.3	56%	0.555	38%	0.381	S	S	*	.			trans	-100.6	146.8	-177.8	-54.3	-176.7	173	-172.5	-0.6	110.5	Y572 G576 D577	Y572-R574 HydrophobicContact CE2-CG 4.24Å; Y572-R574 WeakPolarHBondContact O-CG 3.24Å; Y572-R574 PolarHBondContact O-N 3.1Å; R574-G576 PolarHBondContact O-N 3.25Å; R574-G576 VanDerWaalsContact O-N 3.13Å; R574-D577 WeakPolarHBondContact CA-OD2 3.29Å; R574-D577 WeakPolarHBondContact CB-OD2 3.09Å; R574-D577 PolarHBondContact N-OD2 3.05Å; R574-D577 WeakPolarHBondContact O-CB 3.24Å; R574-D577 PolarHBondContact O-N 3.43Å; R574-D577 VanDerWaalsContact O-N 3.1Å
575	W	82.7	Confident	88.4	Confident	124 Å²	124	72.3 Å²	72.3	47%	0.47	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.8	175.1	-62.7	90.4	0	0	0	114.1	I581 V584 F633 I636 A637	W575-I581 VanDerWaalsContact O-CG1 3.28Å; W575-I581 WeakPolarHBondContact O-CG1 3.29Å; W575-V584 HydrophobicContact CE3-CG2 3.95Å; W575-V584 HydrophobicContact CZ3-CG2 3.71Å; W575-F633 HydrophobicContact CH2-CB 4.17Å; W575-F633 HydrophobicContact CH2-CD1 4.16Å; W575-F633 HydrophobicContact CZ3-CD1 4.08Å; W575-I636 HydrophobicContact CD2-CG2 4Å; W575-I636 HydrophobicContact CE3-CG2 3.95Å; W575-I636 HydrophobicContact CH2-CB 4.29Å; W575-I636 HydrophobicContact CH2-CG2 4.27Å; W575-I636 HydrophobicContact CZ2-CG2 4.3Å; W575-I636 HydrophobicContact CZ3-CB 4.43Å; W575-I636 HydrophobicContact CZ3-CG2 4.09Å; W575-A637 HydrophobicContact CZ2-CB 4.21Å
576	G	82.9	Confident	88.5	Confident	62 Å²	62	72.7 Å²	72.7	64%	0.639	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.7	175.6	0	0	0	0	0	114.5	R574 I581	R574-G576 PolarHBondContact O-N 3.25Å; R574-G576 VanDerWaalsContact O-N 3.13Å; G576-I581 WeakPolarHBondContact O-CD1 3.34Å
577	D	88.1	Confident	88.7	Confident	56 Å²	56	67.5 Å²	67.5	30%	0.299	36%	0.364	S	S	.	.	S	Bend	trans	-75.1	142.4	-179	-55	-26.4	0	0	0	109.6	R574 E579 P580 I581	R574-D577 WeakPolarHBondContact CA-OD2 3.29Å; R574-D577 WeakPolarHBondContact CB-OD2 3.09Å; R574-D577 PolarHBondContact N-OD2 3.05Å; R574-D577 WeakPolarHBondContact O-CB 3.24Å; R574-D577 PolarHBondContact O-N 3.43Å; R574-D577 VanDerWaalsContact O-N 3.1Å; D577-E579 VanDerWaalsContact C-N 3.34Å; D577-E579 PolarHBondContact O-N 3.14Å; D577-P580 HydrophobicContact CB-CG 3.96Å; D577-P580 WeakPolarHBondContact O-CD 3.07Å; D577-I581 WeakPolarHBondContact O-CD1 3.34Å; D577-I581 VanDerWaalsContact O-CG1 3.26Å; D577-I581 WeakPolarHBondContact O-CG1 3.32Å; D577-I581 PolarHBondContact O-N 2.92Å; D577-I581 VanDerWaalsContact O-N 3.15Å
578	P	89.5	Confident	89	Confident	105 Å²	105	62.8 Å²	62.8	68%	0.682	34%	0.343	S	S	*	.	H	α-helix	trans	-65.9	-32.3	-169.6	24.2	-34.1	0	0	0	113.9	A582	P578-A582 PolarHBondContact O-N 3.4Å
579	E	85.8	Confident	89.2	Confident	92 Å²	92	66.7 Å²	66.7	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-75	-45.8	-177.4	-25.4	-178.8	123	0	0	112.3	D577 I581 A582 A583 I800	D577-E579 VanDerWaalsContact C-N 3.34Å; D577-E579 PolarHBondContact O-N 3.14Å; E579-I581 PolarHBondContact O-N 3.15Å; E579-A582 PolarHBondContact O-N 2.71Å; E579-A583 PolarHBondContact O-N 3.04Å; E579-I800 HydrophobicContact CB-CD1 4.19Å; E579-I800 VanDerWaalsContact OE2-CD1 3.29Å; E579-I800 WeakPolarHBondContact OE2-CD1 3.33Å
580	P	89.7	Confident	89.6	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-57	-41.7	167.2	-29.9	38.5	0	0	0	114.2	L573 D577 A582 A583 V584 I636	L573-P580 HydrophobicContact CD1-CG 3.43Å; L573-P580 VanDerWaalsContact CD1-CG 3.43Å; L573-P580 HydrophobicContact CD2-CG 3.9Å; L573-P580 HydrophobicContact CG-CB 4.43Å; L573-P580 HydrophobicContact CG-CG 3.5Å; L573-P580 VanDerWaalsContact CG-CG 3.5Å; D577-P580 HydrophobicContact CB-CG 3.96Å; D577-P580 WeakPolarHBondContact O-CD 3.07Å; P580-A582 VanDerWaalsContact C-N 3.28Å; P580-A582 PolarHBondContact O-N 3.18Å; P580-A583 PolarHBondContact O-N 2.69Å; P580-A583 VanDerWaalsContact O-N 3.07Å; P580-V584 WeakPolarHBondContact O-CG2 3.36Å; P580-V584 PolarHBondContact O-N 2.87Å; P580-I636 HydrophobicContact CB-CD1 4.31Å; P580-I636 HydrophobicContact CB-CG2 4.03Å
581	I	91.6	Very high	89.9	Confident	76 Å²	76	60.9 Å²	60.9	39%	0.39	33%	0.326	S	S	.	.	H	α-helix	trans	-55.9	-44.6	178.5	-73.7	167.5	0	0	0	110.7	W575 G576 D577 E579 A583 V584 V585	W575-I581 VanDerWaalsContact O-CG1 3.28Å; W575-I581 WeakPolarHBondContact O-CG1 3.29Å; G576-I581 WeakPolarHBondContact O-CD1 3.34Å; D577-I581 WeakPolarHBondContact O-CD1 3.34Å; D577-I581 VanDerWaalsContact O-CG1 3.26Å; D577-I581 WeakPolarHBondContact O-CG1 3.32Å; D577-I581 PolarHBondContact O-N 2.92Å; D577-I581 VanDerWaalsContact O-N 3.15Å; E579-I581 PolarHBondContact O-N 3.15Å; I581-A583 VanDerWaalsContact C-N 3.34Å; I581-A583 PolarHBondContact O-N 2.84Å; I581-V584 PolarHBondContact O-N 3.04Å; I581-V585 HydrophobicContact CG2-CG2 4.32Å; I581-V585 WeakPolarHBondContact O-CG2 3.18Å; I581-V585 PolarHBondContact O-N 3.06Å
582	A	90.9	Very high	90.4	Very high	52 Å²	52	62.3 Å²	62.3	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-40.4	177.2	0	0	0	0	0	112.7	P578 E579 P580 F586 F804	P578-A582 PolarHBondContact O-N 3.4Å; E579-A582 PolarHBondContact O-N 2.71Å; P580-A582 VanDerWaalsContact C-N 3.28Å; P580-A582 PolarHBondContact O-N 3.18Å; A582-F586 WeakPolarHBondContact O-CB 3.23Å; A582-F586 PolarHBondContact O-N 2.62Å; A582-F586 VanDerWaalsContact O-N 3.11Å; A582-F804 HydrophobicContact CB-CZ 4.04Å
583	A	90.8	Very high	90.8	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-67.8	-40.1	175.7	0	0	0	0	0	112.6	E579 P580 I581 F586 A587 T632 I636 C803 F804	E579-A583 PolarHBondContact O-N 3.04Å; P580-A583 PolarHBondContact O-N 2.69Å; P580-A583 VanDerWaalsContact O-N 3.07Å; I581-A583 VanDerWaalsContact C-N 3.34Å; I581-A583 PolarHBondContact O-N 2.84Å; A583-F586 PolarHBondContact O-N 3.11Å; A583-A587 WeakPolarHBondContact O-CB 3.39Å; A583-A587 PolarHBondContact O-N 3.28Å; A583-T632 HydrophobicContact CB-CG2 4.35Å; A583-I636 HydrophobicContact CB-CD1 4.09Å; A583-C803 HydrophobicContact CB-CB 4.26Å; A583-F804 HydrophobicContact CB-CD2 4.41Å; A583-F804 HydrophobicContact CB-CE1 4.27Å; A583-F804 HydrophobicContact CB-CE2 3.92Å; A583-F804 HydrophobicContact CB-CZ 3.84Å
584	V	92.5	Very high	91.3	Very high	26 Å²	26	58.4 Å²	58.4	16%	0.158	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-47.1	177.2	171.5	0	0	0	0	111.3	W575 P580 I581 F586 A587 C588 F633 I636	W575-V584 HydrophobicContact CE3-CG2 3.95Å; W575-V584 HydrophobicContact CZ3-CG2 3.71Å; P580-V584 WeakPolarHBondContact O-CG2 3.36Å; P580-V584 PolarHBondContact O-N 2.87Å; I581-V584 PolarHBondContact O-N 3.04Å; V584-F586 VanDerWaalsContact C-N 3.33Å; V584-F586 PolarHBondContact O-N 3.02Å; V584-A587 PolarHBondContact O-N 2.84Å; V584-C588 PolarHBondContact O-N 2.88Å; V584-C588 PolarHBondContact O-SG 2.95Å; V584-F633 HydrophobicContact CG1-CE1 3.96Å; V584-I636 HydrophobicContact CG2-CD1 3.67Å
585	V	93.9	Very high	91.7	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.485	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-42.8	177.4	171.6	0	0	0	0	110.7	I581 A587 C588 L589	I581-V585 HydrophobicContact CG2-CG2 4.32Å; I581-V585 WeakPolarHBondContact O-CG2 3.18Å; I581-V585 PolarHBondContact O-N 3.06Å; V585-A587 PolarHBondContact O-N 3.4Å; V585-C588 PolarHBondContact O-N 2.98Å; V585-L589 HydrophobicContact CG1-CD1 4.23Å; V585-L589 WeakPolarHBondContact O-CG 3Å; V585-L589 PolarHBondContact O-N 3.26Å
586	F	94.4	Very high	92.3	Very high	56 Å²	56	55.9 Å²	55.9	25%	0.246	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-41.1	176.2	-172	-113.5	0	0	0	112.4	A582 A583 V584 L589 G590 L808 T811	A582-F586 WeakPolarHBondContact O-CB 3.23Å; A582-F586 PolarHBondContact O-N 2.62Å; A582-F586 VanDerWaalsContact O-N 3.11Å; A583-F586 PolarHBondContact O-N 3.11Å; V584-F586 VanDerWaalsContact C-N 3.33Å; V584-F586 PolarHBondContact O-N 3.02Å; F586-L589 PolarHBondContact O-N 3.45Å; F586-G590 PolarHBondContact O-N 2.73Å; F586-L808 HydrophobicContact CE1-CD2 4.15Å; F586-L808 HydrophobicContact CE1-CG 4.17Å; F586-L808 HydrophobicContact CZ-CD2 3.85Å; F586-L808 HydrophobicContact CZ-CG 4.38Å; F586-T811 HydrophobicContact CZ-CG2 4.19Å; F586-T811 WeakPolarHBondContact CZ-OG1 3.39Å
587	A	94.8	Very high	92.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-37.9	174.5	0	0	0	0	0	112.9	A583 V584 V585 G590 L591 T632 F633	A583-A587 WeakPolarHBondContact O-CB 3.39Å; A583-A587 PolarHBondContact O-N 3.28Å; V584-A587 PolarHBondContact O-N 2.84Å; V585-A587 PolarHBondContact O-N 3.4Å; A587-G590 PolarHBondContact O-N 2.74Å; A587-L591 WeakPolarHBondContact O-CG 3.45Å; A587-L591 PolarHBondContact O-N 3.04Å; A587-T632 HydrophobicContact CB-CG2 3.93Å; A587-F633 HydrophobicContact CB-CE2 3.8Å; A587-F633 HydrophobicContact CB-CZ 4.11Å
588	C	95.2	Very high	92.9	Very high	51 Å²	51	52 Å²	52	35%	0.345	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-45.7	174.8	-67.7	0	0	0	0	112	V584 V585 G590 L591 L592	V584-C588 PolarHBondContact O-N 2.88Å; V584-C588 PolarHBondContact O-SG 2.95Å; V585-C588 PolarHBondContact O-N 2.98Å; C588-G590 VanDerWaalsContact C-N 3.33Å; C588-G590 PolarHBondContact O-N 2.95Å; C588-L591 PolarHBondContact O-N 3.47Å; C588-L592 PolarHBondContact O-N 3.36Å
589	L	95.4	Very high	93	Very high	107 Å²	107	50.8 Å²	50.8	56%	0.56	28%	0.283	S	S	*	.	H	α-helix	trans	-62.6	-40.3	174.7	-67.8	171.5	0	0	0	111.5	V585 F586 L592 A593	V585-L589 HydrophobicContact CG1-CD1 4.23Å; V585-L589 WeakPolarHBondContact O-CG 3Å; V585-L589 PolarHBondContact O-N 3.26Å; F586-L589 PolarHBondContact O-N 3.45Å; L589-L592 PolarHBondContact O-N 3.22Å; L589-A593 WeakPolarHBondContact O-CB 3.44Å; L589-A593 PolarHBondContact O-N 3.05Å
590	G	95.2	Very high	93.2	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-43.3	173.9	0	0	0	0	0	113.7	F586 A587 C588 T594 Y629	F586-G590 PolarHBondContact O-N 2.73Å; A587-G590 PolarHBondContact O-N 2.74Å; C588-G590 VanDerWaalsContact C-N 3.33Å; C588-G590 PolarHBondContact O-N 2.95Å; G590-T594 WeakPolarHBondContact O-CB 3.37Å; G590-T594 PolarHBondContact O-N 3.25Å; G590-T594 PolarHBondContact O-OG1 3.22Å; G590-Y629 VanDerWaalsContact CA-CZ 3.45Å; G590-Y629 WeakPolarHBondContact O-CE2 3.26Å
591	L	95.9	Very high	93.1	Very high	29 Å²	29	46.9 Å²	46.9	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-46.9	175.3	-74.8	172.5	0	0	0	111.9	A587 C588 A593 T594 L595 Y629 L630 F633	A587-L591 WeakPolarHBondContact O-CG 3.45Å; A587-L591 PolarHBondContact O-N 3.04Å; C588-L591 PolarHBondContact O-N 3.47Å; L591-A593 VanDerWaalsContact C-N 3.35Å; L591-A593 PolarHBondContact O-N 3.47Å; L591-T594 PolarHBondContact O-N 2.78Å; L591-T594 VanDerWaalsContact O-N 3.14Å; L591-L595 WeakPolarHBondContact O-CB 3.16Å; L591-L595 WeakPolarHBondContact O-CG 3.36Å; L591-L595 PolarHBondContact O-N 3.23Å; L591-Y629 HydrophobicContact CD2-CD2 4.4Å; L591-Y629 HydrophobicContact CG-CG 4.46Å; L591-L630 HydrophobicContact CD1-CD2 4.15Å; L591-L630 HydrophobicContact CD2-CD2 4.36Å; L591-L630 HydrophobicContact CD2-CG 4.23Å; L591-F633 HydrophobicContact CD1-CE2 3.74Å; L591-F633 HydrophobicContact CD1-CZ 4.19Å
592	L	95.4	Very high	93	Very high	115 Å²	115	46.6 Å²	46.6	60%	0.602	26%	0.264	S	S	*	.	H	α-helix	trans	-57.9	-45.6	176.1	-77.1	168.1	0	0	0	111.9	C588 L589 T594 L595 F596	C588-L592 PolarHBondContact O-N 3.36Å; L589-L592 PolarHBondContact O-N 3.22Å; L592-T594 VanDerWaalsContact C-N 3.35Å; L592-T594 PolarHBondContact O-N 3.31Å; L592-L595 PolarHBondContact O-N 2.83Å; L592-F596 WeakPolarHBondContact O-CB 3.16Å; L592-F596 PolarHBondContact O-N 3.01Å
593	A	94.3	Very high	92.9	Very high	40 Å²	40	49.4 Å²	49.4	33%	0.331	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-38.8	175.6	0	0	0	0	0	112.4	L589 L591 F596 V597 L814	L589-A593 WeakPolarHBondContact O-CB 3.44Å; L589-A593 PolarHBondContact O-N 3.05Å; L591-A593 VanDerWaalsContact C-N 3.35Å; L591-A593 PolarHBondContact O-N 3.47Å; A593-F596 PolarHBondContact O-N 2.89Å; A593-V597 VanDerWaalsContact O-CG2 3.31Å; A593-V597 WeakPolarHBondContact O-CG2 3.39Å; A593-V597 PolarHBondContact O-N 3.23Å; A593-L814 HydrophobicContact CB-CD2 3.74Å
594	T	94.4	Very high	92.8	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-42	177.9	-56.8	0	0	0	0	111.7	G590 L591 L592 T598 L622 I625 C626 Y629	G590-T594 WeakPolarHBondContact O-CB 3.37Å; G590-T594 PolarHBondContact O-N 3.25Å; G590-T594 PolarHBondContact O-OG1 3.22Å; L591-T594 PolarHBondContact O-N 2.78Å; L591-T594 VanDerWaalsContact O-N 3.14Å; L592-T594 VanDerWaalsContact C-N 3.35Å; L592-T594 PolarHBondContact O-N 3.31Å; T594-T598 VanDerWaalsContact O-CB 3.25Å; T594-T598 WeakPolarHBondContact O-CB 3.41Å; T594-T598 PolarHBondContact O-N 3.27Å; T594-T598 PolarHBondContact O-OG1 2.68Å; T594-L622 HydrophobicContact CG2-CD2 4.47Å; T594-I625 HydrophobicContact CG2-CG2 4.07Å; T594-C626 HydrophobicContact CG2-CB 4.08Å; T594-Y629 WeakPolarHBondContact OG1-CE2 3.27Å
595	L	93.2	Very high	92.3	Very high	101 Å²	101	59 Å²	59	53%	0.529	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-47.9	174.4	-72.1	170.4	0	0	0	110.9	L591 L592 V597 T598 V599	L591-L595 WeakPolarHBondContact O-CB 3.16Å; L591-L595 WeakPolarHBondContact O-CG 3.36Å; L591-L595 PolarHBondContact O-N 3.23Å; L592-L595 PolarHBondContact O-N 2.83Å; L595-V597 PolarHBondContact O-N 3.01Å; L595-T598 PolarHBondContact O-N 2.83Å; L595-T598 VanDerWaalsContact O-N 3.16Å; L595-V599 WeakPolarHBondContact O-CG2 3.5Å; L595-V599 PolarHBondContact O-N 3.11Å
596	F	94.2	Very high	91.8	Very high	117 Å²	117	60.1 Å²	60.1	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-55.7	-51.2	176.4	173.1	-105.5	0	0	0	112.4	L592 A593 T598 V599 V600 V822 L826	L592-F596 WeakPolarHBondContact O-CB 3.16Å; L592-F596 PolarHBondContact O-N 3.01Å; A593-F596 PolarHBondContact O-N 2.89Å; F596-T598 VanDerWaalsContact C-N 3.3Å; F596-T598 PolarHBondContact O-N 2.78Å; F596-V599 PolarHBondContact O-N 2.69Å; F596-V600 HydrophobicContact CE2-CG2 4.26Å; F596-V600 HydrophobicContact CZ-CG2 4.28Å; F596-V600 WeakPolarHBondContact O-CG2 3.28Å; F596-V600 PolarHBondContact O-N 3.41Å; F596-V600 VanDerWaalsContact O-N 3.07Å; F596-V822 HydrophobicContact CE1-CG1 3.96Å; F596-V822 HydrophobicContact CZ-CG1 4.43Å; F596-L826 HydrophobicContact CZ-CD1 3.87Å
597	V	92.9	Very high	91.3	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-41.2	176.7	171.5	0	0	0	0	111.3	A593 L595 V600 F601 L622 L814 F818 V822	A593-V597 VanDerWaalsContact O-CG2 3.31Å; A593-V597 WeakPolarHBondContact O-CG2 3.39Å; A593-V597 PolarHBondContact O-N 3.23Å; L595-V597 PolarHBondContact O-N 3.01Å; V597-V600 PolarHBondContact O-N 3.25Å; V597-F601 HydrophobicContact CG1-CD2 4.15Å; V597-F601 HydrophobicContact CG1-CE2 4.23Å; V597-F601 VanDerWaalsContact O-CD2 3.3Å; V597-F601 WeakPolarHBondContact O-CD2 3.04Å; V597-F601 PolarHBondContact O-N 3.11Å; V597-L622 HydrophobicContact CG1-CD1 4.45Å; V597-L622 HydrophobicContact CG1-CD2 3.86Å; V597-L814 HydrophobicContact CB-CD1 4.17Å; V597-L814 HydrophobicContact CG1-CD1 4.2Å; V597-L814 HydrophobicContact CG2-CD1 3.99Å; V597-F818 HydrophobicContact CG1-CB 3.8Å; V597-F818 HydrophobicContact CG1-CD1 3.85Å; V597-F818 HydrophobicContact CG1-CG 4.07Å; V597-V822 HydrophobicContact CG1-CG2 4.19Å; V597-V822 HydrophobicContact CG2-CG2 4.18Å
598	T	90.9	Very high	90.4	Very high	32 Å²	32	60.4 Å²	60.4	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-66.9	-44.6	-179.2	-59	0	0	0	0	111.8	T594 L595 F596 V600 F601 I602	T594-T598 VanDerWaalsContact O-CB 3.25Å; T594-T598 WeakPolarHBondContact O-CB 3.41Å; T594-T598 PolarHBondContact O-N 3.27Å; T594-T598 PolarHBondContact O-OG1 2.68Å; L595-T598 PolarHBondContact O-N 2.83Å; L595-T598 VanDerWaalsContact O-N 3.16Å; F596-T598 VanDerWaalsContact C-N 3.3Å; F596-T598 PolarHBondContact O-N 2.78Å; T598-V600 PolarHBondContact O-N 3.5Å; T598-F601 PolarHBondContact O-N 3.34Å; T598-I602 HydrophobicContact CG2-CD1 3.7Å; T598-I602 HydrophobicContact CG2-CG1 4.36Å; T598-I602 WeakPolarHBondContact O-CB 3.44Å; T598-I602 VanDerWaalsContact O-CG1 3.31Å; T598-I602 WeakPolarHBondContact O-CG1 3.49Å; T598-I602 PolarHBondContact O-N 2.63Å
599	V	91.3	Very high	89.6	Confident	78 Å²	78	58.3 Å²	58.3	47%	0.473	30%	0.301	S	S	.	.	H	α-helix	trans	-60.1	-46.1	175.7	169.2	0	0	0	0	110.8	L595 F596 F601 I602 I603	L595-V599 WeakPolarHBondContact O-CG2 3.5Å; L595-V599 PolarHBondContact O-N 3.11Å; F596-V599 PolarHBondContact O-N 2.69Å; V599-F601 VanDerWaalsContact C-N 3.33Å; V599-F601 PolarHBondContact O-N 3.5Å; V599-I602 PolarHBondContact O-N 3.1Å; V599-I603 HydrophobicContact CG1-CD1 3.65Å; V599-I603 HydrophobicContact CG1-CG1 4.36Å; V599-I603 WeakPolarHBondContact O-CB 3.36Å; V599-I603 WeakPolarHBondContact O-CG1 3.35Å; V599-I603 PolarHBondContact O-N 2.96Å
600	V	90.7	Very high	88.9	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.055	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-44.4	175.4	172.1	0	0	0	0	111.1	F596 V597 T598 Y604 V822 I825 L826	F596-V600 HydrophobicContact CE2-CG2 4.26Å; F596-V600 HydrophobicContact CZ-CG2 4.28Å; F596-V600 WeakPolarHBondContact O-CG2 3.28Å; F596-V600 PolarHBondContact O-N 3.41Å; F596-V600 VanDerWaalsContact O-N 3.07Å; V597-V600 PolarHBondContact O-N 3.25Å; T598-V600 PolarHBondContact O-N 3.5Å; V600-Y604 HydrophobicContact CG1-CD2 4.01Å; V600-Y604 WeakPolarHBondContact O-CB 3.34Å; V600-Y604 WeakPolarHBondContact O-CD2 3.45Å; V600-Y604 PolarHBondContact O-N 2.97Å; V600-V822 HydrophobicContact CG1-CG1 4.31Å; V600-V822 HydrophobicContact CG1-CG2 4.28Å; V600-I825 HydrophobicContact CG1-CG2 4.04Å; V600-L826 HydrophobicContact CG1-CD2 4.46Å; V600-L826 HydrophobicContact CG1-CG 4.47Å; V600-L826 HydrophobicContact CG2-CD1 4.13Å
601	F	88.1	Confident	88	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-33.3	178.6	-90.3	-118.1	0	0	0	113.6	V597 T598 V599 R605 V610 Y619 F818 K821 V822 I825	V597-F601 HydrophobicContact CG1-CD2 4.15Å; V597-F601 HydrophobicContact CG1-CE2 4.23Å; V597-F601 VanDerWaalsContact O-CD2 3.3Å; V597-F601 WeakPolarHBondContact O-CD2 3.04Å; V597-F601 PolarHBondContact O-N 3.11Å; T598-F601 PolarHBondContact O-N 3.34Å; V599-F601 VanDerWaalsContact C-N 3.33Å; V599-F601 PolarHBondContact O-N 3.5Å; F601-R605 WeakPolarHBondContact O-CA 3.45Å; F601-R605 PolarHBondContact O-N 3.4Å; F601-V610 HydrophobicContact CD1-CG1 4.18Å; F601-V610 HydrophobicContact CD1-CG2 4.18Å; F601-V610 HydrophobicContact CE1-CG2 4.27Å; F601-V610 HydrophobicContact CG-CG2 4.5Å; F601-Y619 HydrophobicContact CB-CE1 4.33Å; F601-Y619 PolarHBondContact O-OH 2.93Å; F601-F818 HydrophobicContact CE1-CD1 4.19Å; F601-F818 HydrophobicContact CE1-CE1 4.21Å; F601-F818 HydrophobicContact CE2-CD1 4.08Å; F601-F818 AromaticContact CZ-CD1 3.75Å; F601-F818 HydrophobicContact CZ-CD1 3.75Å; F601-F818 HydrophobicContact CZ-CE1 4.23Å; F601-K821 HydrophobicContact CE2-CB 4.45Å; F601-K821 HydrophobicContact CZ-CB 4.09Å; F601-K821 HydrophobicContact CZ-CD 4.04Å; F601-V822 HydrophobicContact CD2-CG2 4.34Å; F601-V822 HydrophobicContact CE2-CG2 3.89Å; F601-I825 HydrophobicContact CE2-CD1 4.39Å
602	I	88.3	Confident	86.8	Confident	71 Å²	71	59.2 Å²	59.2	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-77.2	-37.2	179.1	-70.8	174.3	0	0	0	112	T598 V599 R605 Y619	T598-I602 HydrophobicContact CG2-CD1 3.7Å; T598-I602 HydrophobicContact CG2-CG1 4.36Å; T598-I602 WeakPolarHBondContact O-CB 3.44Å; T598-I602 VanDerWaalsContact O-CG1 3.31Å; T598-I602 WeakPolarHBondContact O-CG1 3.49Å; T598-I602 PolarHBondContact O-N 2.63Å; V599-I602 PolarHBondContact O-N 3.1Å; I602-R605 PolarHBondContact O-NE 3.07Å; I602-R605 PolarHBondContact O-NH2 3.06Å; I602-Y619 HydrophobicContact CG1-CE1 3.83Å
603	I	89.1	Confident	85.7	Confident	111 Å²	111	54.1 Å²	54.1	57%	0.569	28%	0.276	S	S	*	.	H	α-helix	trans	-73.4	-56.2	175.7	-66.7	174.2	0	0	0	109.5	V599 R605	V599-I603 HydrophobicContact CG1-CD1 3.65Å; V599-I603 HydrophobicContact CG1-CG1 4.36Å; V599-I603 WeakPolarHBondContact O-CB 3.36Å; V599-I603 WeakPolarHBondContact O-CG1 3.35Å; V599-I603 PolarHBondContact O-N 2.96Å; I603-R605 PolarHBondContact O-N 3.12Å
604	Y	87.8	Confident	84.9	Confident	106 Å²	106	52.9 Å²	52.9	42%	0.416	27%	0.266	S	S	.	.	S	Bend	trans	-83	27.4	-178	-62.7	-76.9	0	0	0	113.6	V600 D606 T607 I825 L826	V600-Y604 HydrophobicContact CG1-CD2 4.01Å; V600-Y604 WeakPolarHBondContact O-CB 3.34Å; V600-Y604 WeakPolarHBondContact O-CD2 3.45Å; V600-Y604 PolarHBondContact O-N 2.97Å; Y604-D606 PolarHBondContact O-N 3.25Å; Y604-T607 HydrophobicContact CD1-CG2 4.21Å; Y604-T607 HydrophobicContact CG-CG2 4.47Å; Y604-T607 WeakPolarHBondContact O-CB 3.5Å; Y604-T607 WeakPolarHBondContact O-CG2 3.46Å; Y604-T607 PolarHBondContact O-N 3.12Å; Y604-T607 PolarHBondContact O-OG1 2.81Å; Y604-I825 HydrophobicContact CD1-CG2 4.39Å; Y604-I825 HydrophobicContact CD2-CG2 3.91Å; Y604-I825 HydrophobicContact CG-CG2 3.81Å; Y604-L826 HydrophobicContact CE2-CD2 3.94Å
605	R	83.9	Confident	84.3	Confident	122 Å²	122	58.7 Å²	58.7	46%	0.46	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.6	-178.4	74.4	-178.7	66.2	171.6	1.8	113.6	F601 I602 I603	F601-R605 WeakPolarHBondContact O-CA 3.45Å; F601-R605 PolarHBondContact O-N 3.4Å; I602-R605 PolarHBondContact O-NE 3.07Å; I602-R605 PolarHBondContact O-NH2 3.06Å; I603-R605 PolarHBondContact O-N 3.12Å
606	D	82	Confident	84	Confident	103 Å²	103	57 Å²	57	55%	0.551	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.4	-174.1	-83.1	-70.9	0	0	0	114.5	Y604 K611	Y604-D606 PolarHBondContact O-N 3.25Å; D606-K611 WeakPolarHBondContact O-CD 3.25Å; D606-K611 WeakPolarHBondContact O-CE 3.22Å; D606-K611 PolarHBondContact O-NZ 3.1Å; D606-K611 WeakPolarHBondContact OD1-CE 3.5Å; D606-K611 IonicContact OD1-NZ 2.59Å; D606-K611 PolarHBondContact OD1-NZ 3.4Å
607	T	83.6	Confident	83.6	Confident	22 Å²	22	51.6 Å²	51.6	14%	0.135	25%	0.253	C	S	.	.	S	Bend	trans	-70.1	148.1	-179.9	58.5	0	0	0	0	113.2	Y604 V609 V610 K611 N832	Y604-T607 HydrophobicContact CD1-CG2 4.21Å; Y604-T607 HydrophobicContact CG-CG2 4.47Å; Y604-T607 WeakPolarHBondContact O-CB 3.5Å; Y604-T607 WeakPolarHBondContact O-CG2 3.46Å; Y604-T607 PolarHBondContact O-N 3.12Å; Y604-T607 PolarHBondContact O-OG1 2.81Å; T607-V609 VanDerWaalsContact C-N 3.27Å; T607-V609 PolarHBondContact O-N 3.18Å; T607-V610 PolarHBondContact O-N 3.14Å; T607-V610 VanDerWaalsContact O-N 3.15Å; T607-V610 WeakPolarHBondContact OG1-CG2 3.28Å; T607-K611 WeakPolarHBondContact O-CB 3.33Å; T607-K611 PolarHBondContact O-N 2.87Å; T607-N832 WeakPolarHBondContact CB-ND2 3.15Å; T607-N832 WeakPolarHBondContact CG2-ND2 3.28Å
608	P	77	Confident	83.4	Confident	41 Å²	41	51.4 Å²	51.4	27%	0.266	25%	0.252	S	S	.	.	H	α-helix	trans	-54.8	-35	176.2	-31.3	39.2	0	0	0	115	S612 N832 R834	P608-S612 VanDerWaalsContact O-CB 3.23Å; P608-S612 WeakPolarHBondContact O-CB 3.27Å; P608-S612 PolarHBondContact O-N 3.11Å; P608-S612 PolarHBondContact O-OG 3.2Å; P608-N832 WeakPolarHBondContact CD-O 3.25Å; P608-N832 VanDerWaalsContact CG-O 3.24Å; P608-N832 WeakPolarHBondContact CG-O 3.46Å; P608-R834 HydrophobicContact CG-CB 4.47Å
609	V	78.3	Confident	83.5	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-42.2	176.4	170.8	0	0	0	0	112.1	T607 S612 S613 K821 I824 I825 N832 F837	T607-V609 VanDerWaalsContact C-N 3.27Å; T607-V609 PolarHBondContact O-N 3.18Å; V609-S612 PolarHBondContact O-OG 3.43Å; V609-S613 PolarHBondContact O-N 3.37Å; V609-S613 PolarHBondContact O-OG 2.94Å; V609-K821 HydrophobicContact CG1-CB 4.32Å; V609-I824 HydrophobicContact CG2-CG2 3.9Å; V609-I825 HydrophobicContact CB-CG1 4.35Å; V609-I825 HydrophobicContact CG1-CD1 4.24Å; V609-I825 HydrophobicContact CG1-CG1 4.27Å; V609-N832 VanDerWaalsContact CG2-OD1 3.26Å; V609-N832 WeakPolarHBondContact CG2-OD1 3.25Å; V609-N832 PolarHBondContact N-OD1 2.77Å; V609-F837 HydrophobicContact CG2-CE2 4.02Å; V609-F837 HydrophobicContact CG2-CZ 3.88Å
610	V	80.4	Confident	83.5	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-78.3	-35.8	179	-178.4	0	0	0	0	111.6	F601 T607 S613 R615 I825	F601-V610 HydrophobicContact CD1-CG1 4.18Å; F601-V610 HydrophobicContact CD1-CG2 4.18Å; F601-V610 HydrophobicContact CE1-CG2 4.27Å; F601-V610 HydrophobicContact CG-CG2 4.5Å; T607-V610 PolarHBondContact O-N 3.14Å; T607-V610 VanDerWaalsContact O-N 3.15Å; T607-V610 WeakPolarHBondContact OG1-CG2 3.28Å; V610-S613 WeakPolarHBondContact O-CB 3.35Å; V610-S613 VanDerWaalsContact O-O 3.13Å; V610-R615 HydrophobicContact CG1-CB 4.4Å; V610-I825 HydrophobicContact CG2-CD1 3.76Å
611	K	75.8	Confident	83.6	Confident	118 Å²	118	50.8 Å²	50.8	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-72.5	-31.3	177	-79.3	180	171.8	145.5	0	114.9	D606 T607	D606-K611 WeakPolarHBondContact O-CD 3.25Å; D606-K611 WeakPolarHBondContact O-CE 3.22Å; D606-K611 PolarHBondContact O-NZ 3.1Å; D606-K611 WeakPolarHBondContact OD1-CE 3.5Å; D606-K611 IonicContact OD1-NZ 2.59Å; D606-K611 PolarHBondContact OD1-NZ 3.4Å; T607-K611 WeakPolarHBondContact O-CB 3.33Å; T607-K611 PolarHBondContact O-N 2.87Å
612	S	70.6	Confident	83.8	Confident	41 Å²	41	51 Å²	51	29%	0.287	24%	0.241	S	C	.	.	H	α-helix	trans	-75.2	-34.4	175.1	55.5	0	0	0	0	111.8	P608 V609	P608-S612 VanDerWaalsContact O-CB 3.23Å; P608-S612 WeakPolarHBondContact O-CB 3.27Å; P608-S612 PolarHBondContact O-N 3.11Å; P608-S612 PolarHBondContact O-OG 3.2Å; V609-S612 PolarHBondContact O-OG 3.43Å
613	S	72.4	Confident	84.1	Confident	7 Å²	7	49.8 Å²	49.8	5%	0.049	24%	0.242	C	C	.	.	S	Bend	trans	-61.2	147	166.3	-56.6	0	0	0	0	111	V609 V610 R615 K821	V609-S613 PolarHBondContact O-N 3.37Å; V609-S613 PolarHBondContact O-OG 2.94Å; V610-S613 WeakPolarHBondContact O-CB 3.35Å; V610-S613 VanDerWaalsContact O-O 3.13Å; S613-R615 VanDerWaalsContact C-N 3.29Å; S613-R615 PolarHBondContact O-N 3.22Å; S613-K821 PolarHBondContact OG-NZ 2.69Å
614	S	77.8	Confident	84.3	Confident	15 Å²	15	44.5 Å²	44.5	11%	0.105	22%	0.215	C	C	.	.			trans	-69.7	86.5	166.4	-68.3	0	0	0	0	109.2	E616 L617 C618 R668 Q693	S614-E616 VanDerWaalsContact C-N 3.3Å; S614-E616 PolarHBondContact O-N 3.32Å; S614-L617 PolarHBondContact O-N 3.01Å; S614-L617 VanDerWaalsContact O-N 3.14Å; S614-C618 PolarHBondContact O-N 3.46Å; S614-C618 VanDerWaalsContact O-N 3.12Å; S614-C618 PolarHBondContact O-SG 3.05Å; S614-R668 PolarHBondContact OG-NH1 3.23Å; S614-Q693 PolarHBondContact OG-OE1 3.31Å
615	R	81.8	Confident	84.6	Confident	124 Å²	124	39.6 Å²	39.6	47%	0.468	20%	0.195	S	C	.	.	H	α-helix	trans	-51	-44.8	-172.2	75.8	-175.8	-170.1	179.6	3.9	113.3	V610 S613 L617 C618 Y619	V610-R615 HydrophobicContact CG1-CB 4.4Å; S613-R615 VanDerWaalsContact C-N 3.29Å; S613-R615 PolarHBondContact O-N 3.22Å; R615-L617 PolarHBondContact O-N 3.37Å; R615-C618 WeakPolarHBondContact O-CA 3.33Å; R615-C618 WeakPolarHBondContact O-CB 3.49Å; R615-C618 PolarHBondContact O-N 3.37Å; R615-Y619 WeakPolarHBondContact O-CD2 3.48Å; R615-Y619 PolarHBondContact O-N 2.6Å
616	E	86.8	Confident	85.1	Confident	65 Å²	65	35.5 Å²	35.5	30%	0.304	19%	0.185	S	C	.	.	H	α-helix	trans	-65.5	-39.8	-177.1	-36.7	-59	-176.2	0	0	112.1	S614 C618 Y619 I620 L694	S614-E616 VanDerWaalsContact C-N 3.3Å; S614-E616 PolarHBondContact O-N 3.32Å; E616-C618 VanDerWaalsContact C-N 3.26Å; E616-C618 PolarHBondContact O-N 3.35Å; E616-Y619 PolarHBondContact O-N 3.41Å; E616-I620 WeakPolarHBondContact O-CG1 3.2Å; E616-I620 PolarHBondContact O-N 2.88Å; E616-I620 VanDerWaalsContact O-N 3.1Å; E616-L694 HydrophobicContact CB-CD1 4.14Å; E616-L694 HydrophobicContact CB-CD2 3.82Å; E616-L694 HydrophobicContact CB-CG 4.28Å; E616-L694 HydrophobicContact CG-CD1 4.23Å
617	L	86.8	Confident	85.6	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-29.8	173.4	-62.7	-178.9	0	0	0	111.7	S614 R615 I620 I621 A661 T664 K665 Q693 L694 A697	S614-L617 PolarHBondContact O-N 3.01Å; S614-L617 VanDerWaalsContact O-N 3.14Å; R615-L617 PolarHBondContact O-N 3.37Å; L617-I620 HydrophobicContact CD2-CD1 4.5Å; L617-I620 PolarHBondContact O-N 2.8Å; L617-I621 VanDerWaalsContact O-CG1 3.28Å; L617-I621 WeakPolarHBondContact O-CG1 3.35Å; L617-I621 PolarHBondContact O-N 2.78Å; L617-I621 VanDerWaalsContact O-N 3.12Å; L617-A661 HydrophobicContact CB-CB 4.5Å; L617-A661 HydrophobicContact CD2-CB 4.43Å; L617-T664 HydrophobicContact CD1-CG2 3.92Å; L617-T664 HydrophobicContact CD2-CG2 4.21Å; L617-K665 HydrophobicContact CD1-CB 4.07Å; L617-Q693 HydrophobicContact CD1-CB 4.32Å; L617-L694 HydrophobicContact CD2-CD2 4.39Å; L617-A697 HydrophobicContact CD2-CB 3.98Å
618	C	89.2	Confident	86.1	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-72.6	-36.1	177.2	-57.4	0	0	0	0	111.2	S614 R615 E616 I621 L622 K665 F818	S614-C618 PolarHBondContact O-N 3.46Å; S614-C618 VanDerWaalsContact O-N 3.12Å; S614-C618 PolarHBondContact O-SG 3.05Å; R615-C618 WeakPolarHBondContact O-CA 3.33Å; R615-C618 WeakPolarHBondContact O-CB 3.49Å; R615-C618 PolarHBondContact O-N 3.37Å; E616-C618 VanDerWaalsContact C-N 3.26Å; E616-C618 PolarHBondContact O-N 3.35Å; C618-I621 PolarHBondContact O-N 3.2Å; C618-L622 WeakPolarHBondContact O-CG 3.43Å; C618-L622 PolarHBondContact O-N 3.03Å; C618-K665 PolarHBondContact SG-NZ 3.07Å; C618-K665 VanDerWaalsContact SG-NZ 3.43Å; C618-F818 HydrophobicContact CB-CE1 4.13Å; C618-F818 HydrophobicContact CB-CZ 4.38Å
619	Y	91.1	Very high	86.9	Confident	64 Å²	64	30.3 Å²	30.3	25%	0.251	15%	0.154	S	C	.	.	H	α-helix	trans	-65.7	-38.9	171	-66.6	-50.6	0	0	0	112.7	F601 I602 R615 E616 I621 L622 A623	F601-Y619 HydrophobicContact CB-CE1 4.33Å; F601-Y619 PolarHBondContact O-OH 2.93Å; I602-Y619 HydrophobicContact CG1-CE1 3.83Å; R615-Y619 WeakPolarHBondContact O-CD2 3.48Å; R615-Y619 PolarHBondContact O-N 2.6Å; E616-Y619 PolarHBondContact O-N 3.41Å; Y619-I621 VanDerWaalsContact C-N 3.33Å; Y619-I621 PolarHBondContact O-N 2.66Å; Y619-L622 PolarHBondContact O-N 2.74Å; Y619-A623 WeakPolarHBondContact O-CB 3.5Å; Y619-A623 PolarHBondContact O-N 2.86Å
620	I	92.6	Very high	87.6	Confident	40 Å²	40	33.9 Å²	33.9	21%	0.205	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-39.3	174.3	-64.8	166.8	0	0	0	111.4	E616 L617 A623 G624 A661 L694 I701	E616-I620 WeakPolarHBondContact O-CG1 3.2Å; E616-I620 PolarHBondContact O-N 2.88Å; E616-I620 VanDerWaalsContact O-N 3.1Å; L617-I620 HydrophobicContact CD2-CD1 4.5Å; L617-I620 PolarHBondContact O-N 2.8Å; I620-A623 PolarHBondContact O-N 3.01Å; I620-G624 PolarHBondContact O-N 3.03Å; I620-A661 HydrophobicContact CB-CB 4.04Å; I620-A661 HydrophobicContact CG2-CB 3.77Å; I620-L694 HydrophobicContact CD1-CD2 3.61Å; I620-I701 HydrophobicContact CG2-CD1 4.13Å
621	I	92.6	Very high	88.2	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-45.6	174.7	-65	165	0	0	0	110.9	L617 C618 Y619 A623 G624 I625 A661 L662 M817 F818	L617-I621 VanDerWaalsContact O-CG1 3.28Å; L617-I621 WeakPolarHBondContact O-CG1 3.35Å; L617-I621 PolarHBondContact O-N 2.78Å; L617-I621 VanDerWaalsContact O-N 3.12Å; C618-I621 PolarHBondContact O-N 3.2Å; Y619-I621 VanDerWaalsContact C-N 3.33Å; Y619-I621 PolarHBondContact O-N 2.66Å; I621-A623 VanDerWaalsContact C-N 3.32Å; I621-A623 PolarHBondContact O-N 2.96Å; I621-G624 PolarHBondContact O-N 3.19Å; I621-I625 HydrophobicContact CG2-CD1 3.77Å; I621-I625 HydrophobicContact CG2-CG1 4.38Å; I621-I625 WeakPolarHBondContact O-CB 3.37Å; I621-I625 WeakPolarHBondContact O-CG1 3.43Å; I621-I625 PolarHBondContact O-N 3.33Å; I621-A661 HydrophobicContact CD1-CB 4.2Å; I621-A661 HydrophobicContact CG1-CB 3.59Å; I621-L662 HydrophobicContact CD1-CB 4.38Å; I621-L662 HydrophobicContact CD1-CD1 4.42Å; I621-M817 HydrophobicContact CD1-CE 3.91Å; I621-M817 HydrophobicContact CD1-SD 4.41Å; I621-F818 HydrophobicContact CB-CE2 4.47Å; I621-F818 HydrophobicContact CB-CZ 4.19Å; I621-F818 HydrophobicContact CG2-CE2 3.72Å; I621-F818 HydrophobicContact CG2-CZ 3.94Å
622	L	92.7	Very high	88.9	Confident	5 Å²	5	28.5 Å²	28.5	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-36.5	177.6	-71.3	167.8	0	0	0	112.2	T594 V597 C618 Y619 C626 L814 F818	T594-L622 HydrophobicContact CG2-CD2 4.47Å; V597-L622 HydrophobicContact CG1-CD1 4.45Å; V597-L622 HydrophobicContact CG1-CD2 3.86Å; C618-L622 WeakPolarHBondContact O-CG 3.43Å; C618-L622 PolarHBondContact O-N 3.03Å; Y619-L622 PolarHBondContact O-N 2.74Å; L622-C626 VanDerWaalsContact O-CB 3.29Å; L622-C626 WeakPolarHBondContact O-CB 3.48Å; L622-C626 PolarHBondContact O-N 2.74Å; L622-L814 HydrophobicContact CD2-CD1 3.92Å; L622-F818 HydrophobicContact CD1-CD1 4.43Å; L622-F818 HydrophobicContact CD1-CE1 3.89Å; L622-F818 HydrophobicContact CD1-CZ 4.45Å; L622-F818 HydrophobicContact CD2-CD1 4.14Å; L622-F818 HydrophobicContact CD2-CE1 3.95Å; L622-F818 HydrophobicContact CD2-CE2 4.34Å; L622-F818 HydrophobicContact CD2-CG 4.42Å; L622-F818 HydrophobicContact CD2-CZ 4.05Å; L622-F818 HydrophobicContact CG-CD1 4.43Å; L622-F818 HydrophobicContact CG-CE1 3.78Å; L622-F818 HydrophobicContact CG-CZ 3.87Å
623	A	93.5	Very high	89.9	Confident	47 Å²	47	29.2 Å²	29.2	39%	0.388	15%	0.148	S	C	.	.	H	α-helix	trans	-66	-41.9	173.2	0	0	0	0	0	112.3	Y619 I620 I621 C626 L627 M657	Y619-A623 WeakPolarHBondContact O-CB 3.5Å; Y619-A623 PolarHBondContact O-N 2.86Å; I620-A623 PolarHBondContact O-N 3.01Å; I621-A623 VanDerWaalsContact C-N 3.32Å; I621-A623 PolarHBondContact O-N 2.96Å; A623-C626 PolarHBondContact O-N 3.18Å; A623-L627 WeakPolarHBondContact O-CB 3.42Å; A623-L627 PolarHBondContact O-N 2.94Å; A623-M657 HydrophobicContact CB-CE 4.31Å
624	G	93.6	Very high	90.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-39.5	175	0	0	0	0	0	113.1	I620 I621 G628 S654 S658	I620-G624 PolarHBondContact O-N 3.03Å; I621-G624 PolarHBondContact O-N 3.19Å; G624-G628 PolarHBondContact O-N 2.76Å; G624-S654 PolarHBondContact O-OG 3.48Å; G624-S658 WeakPolarHBondContact CA-OG 3.25Å
625	I	94.5	Very high	91.3	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-47.8	172.4	-72.7	170.7	0	0	0	110.9	T594 I621 L627 G628 Y629 A810 A813 L814 F818	T594-I625 HydrophobicContact CG2-CG2 4.07Å; I621-I625 HydrophobicContact CG2-CD1 3.77Å; I621-I625 HydrophobicContact CG2-CG1 4.38Å; I621-I625 WeakPolarHBondContact O-CB 3.37Å; I621-I625 WeakPolarHBondContact O-CG1 3.43Å; I621-I625 PolarHBondContact O-N 3.33Å; I625-L627 PolarHBondContact O-N 2.9Å; I625-G628 PolarHBondContact O-N 2.87Å; I625-G628 VanDerWaalsContact O-N 3.09Å; I625-Y629 HydrophobicContact CG2-CD2 4.13Å; I625-Y629 HydrophobicContact CG2-CE2 3.54Å; I625-Y629 VanDerWaalsContact O-CD2 3.28Å; I625-Y629 WeakPolarHBondContact O-CD2 3.3Å; I625-Y629 PolarHBondContact O-N 3.23Å; I625-A810 HydrophobicContact CG2-CB 4.32Å; I625-A813 HydrophobicContact CD1-CB 3.89Å; I625-A813 HydrophobicContact CG1-CB 4.33Å; I625-L814 HydrophobicContact CD1-CB 4.36Å; I625-F818 HydrophobicContact CD1-CE2 4.38Å
626	C	94.6	Very high	91.7	Very high	36 Å²	36	24.2 Å²	24.2	24%	0.243	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-46.6	177.5	-170.5	0	0	0	0	111.7	T594 L622 A623 G628 Y629 L630	T594-C626 HydrophobicContact CG2-CB 4.08Å; L622-C626 VanDerWaalsContact O-CB 3.29Å; L622-C626 WeakPolarHBondContact O-CB 3.48Å; L622-C626 PolarHBondContact O-N 2.74Å; A623-C626 PolarHBondContact O-N 3.18Å; C626-G628 PolarHBondContact O-N 2.85Å; C626-Y629 PolarHBondContact O-N 3.03Å; C626-L630 WeakPolarHBondContact O-CG 3.37Å; C626-L630 PolarHBondContact O-N 2.89Å; C626-L630 VanDerWaalsContact O-N 3.08Å
627	L	92.6	Very high	91.8	Very high	57 Å²	57	21.6 Å²	21.6	30%	0.298	12%	0.12	S	C	.	.	H	α-helix	trans	-58.5	-38.4	174.2	-176.1	61.6	0	0	0	111.1	A623 I625 Y629 L630 C631 M657	A623-L627 WeakPolarHBondContact O-CB 3.42Å; A623-L627 PolarHBondContact O-N 2.94Å; I625-L627 PolarHBondContact O-N 2.9Å; L627-Y629 PolarHBondContact O-N 3.4Å; L627-L630 PolarHBondContact O-N 3.46Å; L627-C631 PolarHBondContact O-N 3.09Å; L627-C631 PolarHBondContact O-SG 3.08Å; L627-M657 HydrophobicContact CD2-SD 4.02Å
628	G	92.6	Very high	91.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-43.7	179.7	0	0	0	0	0	113.7	G624 I625 C626 C631 S654	G624-G628 PolarHBondContact O-N 2.76Å; I625-G628 PolarHBondContact O-N 2.87Å; I625-G628 VanDerWaalsContact O-N 3.09Å; C626-G628 PolarHBondContact O-N 2.85Å; G628-C631 WeakPolarHBondContact O-CB 3.49Å; G628-C631 PolarHBondContact O-N 3.27Å; G628-S654 WeakPolarHBondContact CA-OG 3.26Å; G628-S654 PolarHBondContact N-OG 3.04Å; G628-S654 VanDerWaalsContact N-OG 3.14Å
629	Y	94.9	Very high	91.9	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-71.9	-33.7	173.5	-60.5	-63.5	0	0	0	112.7	G590 L591 T594 I625 C626 L627 C631 T632 F633 A810 T811	G590-Y629 VanDerWaalsContact CA-CZ 3.45Å; G590-Y629 WeakPolarHBondContact O-CE2 3.26Å; L591-Y629 HydrophobicContact CD2-CD2 4.4Å; L591-Y629 HydrophobicContact CG-CG 4.46Å; T594-Y629 WeakPolarHBondContact OG1-CE2 3.27Å; I625-Y629 HydrophobicContact CG2-CD2 4.13Å; I625-Y629 HydrophobicContact CG2-CE2 3.54Å; I625-Y629 VanDerWaalsContact O-CD2 3.28Å; I625-Y629 WeakPolarHBondContact O-CD2 3.3Å; I625-Y629 PolarHBondContact O-N 3.23Å; C626-Y629 PolarHBondContact O-N 3.03Å; L627-Y629 PolarHBondContact O-N 3.4Å; Y629-C631 VanDerWaalsContact C-N 3.28Å; Y629-C631 PolarHBondContact O-N 2.98Å; Y629-T632 WeakPolarHBondContact O-CB 3.1Å; Y629-T632 PolarHBondContact O-N 3.02Å; Y629-F633 VanDerWaalsContact O-CD2 3.29Å; Y629-F633 WeakPolarHBondContact O-CD2 3.4Å; Y629-F633 WeakPolarHBondContact O-CE2 3.25Å; Y629-A810 HydrophobicContact CD1-CB 4.44Å; Y629-A810 HydrophobicContact CE1-CB 3.91Å; Y629-A810 HydrophobicContact CE2-CB 4.08Å; Y629-T811 WeakPolarHBondContact OH-CA 3.37Å; Y629-T811 PolarHBondContact OH-N 2.92Å; Y629-T811 VanDerWaalsContact OH-N 3.14Å; Y629-T811 PolarHBondContact OH-OG1 2.98Å
630	L	93.1	Very high	91.9	Very high	82 Å²	82	28.9 Å²	28.9	43%	0.429	16%	0.155	S	C	.	.	H	α-helix	trans	-63.9	-32.5	174.2	-70.3	171.2	0	0	0	112.3	L591 C626 L627 T632 F633	L591-L630 HydrophobicContact CD1-CD2 4.15Å; L591-L630 HydrophobicContact CD2-CD2 4.36Å; L591-L630 HydrophobicContact CD2-CG 4.23Å; C626-L630 WeakPolarHBondContact O-CG 3.37Å; C626-L630 PolarHBondContact O-N 2.89Å; C626-L630 VanDerWaalsContact O-N 3.08Å; L627-L630 PolarHBondContact O-N 3.46Å; L630-T632 VanDerWaalsContact C-N 3.28Å; L630-T632 PolarHBondContact O-N 2.74Å; L630-F633 PolarHBondContact O-N 3.31Å
631	C	91.7	Very high	91.7	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.034	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-38.2	174.8	-65.1	0	0	0	0	112.4	L627 G628 Y629 F633 C634 L635 G650	L627-C631 PolarHBondContact O-N 3.09Å; L627-C631 PolarHBondContact O-SG 3.08Å; G628-C631 WeakPolarHBondContact O-CB 3.49Å; G628-C631 PolarHBondContact O-N 3.27Å; Y629-C631 VanDerWaalsContact C-N 3.28Å; Y629-C631 PolarHBondContact O-N 2.98Å; C631-F633 PolarHBondContact O-N 3.04Å; C631-C634 CarbonylContact O-C 3.52Å; C631-C634 WeakPolarHBondContact O-CA 3.5Å; C631-C634 WeakPolarHBondContact O-CB 3.49Å; C631-C634 PolarHBondContact O-N 3.16Å; C631-L635 HydrophobicContact CB-CD1 4.21Å; C631-L635 WeakPolarHBondContact O-CD1 3.35Å; C631-L635 PolarHBondContact O-N 3.26Å; C631-G650 WeakPolarHBondContact SG-CA 3.31Å
632	T	91.6	Very high	91.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-55.4	-37.6	-179.5	-61.2	0	0	0	0	112.4	A583 A587 Y629 L630 L635 I636 C803 S807	A583-T632 HydrophobicContact CB-CG2 4.35Å; A587-T632 HydrophobicContact CB-CG2 3.93Å; Y629-T632 WeakPolarHBondContact O-CB 3.1Å; Y629-T632 PolarHBondContact O-N 3.02Å; L630-T632 VanDerWaalsContact C-N 3.28Å; L630-T632 PolarHBondContact O-N 2.74Å; T632-L635 PolarHBondContact O-N 3.28Å; T632-I636 HydrophobicContact CG2-CD1 3.98Å; T632-I636 WeakPolarHBondContact O-CG1 3.35Å; T632-I636 PolarHBondContact O-N 3.39Å; T632-C803 HydrophobicContact CG2-CB 3.99Å; T632-S807 PolarHBondContact OG1-OG 3.24Å
633	F	91.4	Very high	91.5	Very high	55 Å²	55	40.4 Å²	40.4	24%	0.241	21%	0.207	C	C	.	.	H	α-helix	trans	-70.6	-35.8	175.6	-59	-94.2	0	0	0	112.4	W575 V584 A587 L591 Y629 L630 C631 L635 A637	W575-F633 HydrophobicContact CH2-CB 4.17Å; W575-F633 HydrophobicContact CH2-CD1 4.16Å; W575-F633 HydrophobicContact CZ3-CD1 4.08Å; V584-F633 HydrophobicContact CG1-CE1 3.96Å; A587-F633 HydrophobicContact CB-CE2 3.8Å; A587-F633 HydrophobicContact CB-CZ 4.11Å; L591-F633 HydrophobicContact CD1-CE2 3.74Å; L591-F633 HydrophobicContact CD1-CZ 4.19Å; Y629-F633 VanDerWaalsContact O-CD2 3.29Å; Y629-F633 WeakPolarHBondContact O-CD2 3.4Å; Y629-F633 WeakPolarHBondContact O-CE2 3.25Å; L630-F633 PolarHBondContact O-N 3.31Å; C631-F633 PolarHBondContact O-N 3.04Å; F633-L635 VanDerWaalsContact C-N 3.34Å; F633-A637 PolarHBondContact O-N 3.24Å
634	C	90.2	Very high	91.3	Very high	31 Å²	31	38.3 Å²	38.3	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-31.6	175.6	-58.7	0	0	0	0	112.3	C631 L646 Q647	C631-C634 CarbonylContact O-C 3.52Å; C631-C634 WeakPolarHBondContact O-CA 3.5Å; C631-C634 WeakPolarHBondContact O-CB 3.49Å; C631-C634 PolarHBondContact O-N 3.16Å; C634-L646 HydrophobicContact CB-CB 4.28Å; C634-Q647 VanDerWaalsContact O-CG 3.28Å; C634-Q647 WeakPolarHBondContact O-CG 3.25Å; C634-Q647 PolarHBondContact O-NE2 3.29Å
635	L	88.6	Confident	91.2	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-73.3	-33.6	177.4	-89.8	74.1	0	0	0	113	C631 T632 F633 Q647 I651 I799 M802 C803	C631-L635 HydrophobicContact CB-CD1 4.21Å; C631-L635 WeakPolarHBondContact O-CD1 3.35Å; C631-L635 PolarHBondContact O-N 3.26Å; T632-L635 PolarHBondContact O-N 3.28Å; F633-L635 VanDerWaalsContact C-N 3.34Å; L635-Q647 HydrophobicContact CD1-CB 4.17Å; L635-Q647 HydrophobicContact CD1-CG 3.9Å; L635-Q647 HydrophobicContact CG-CG 4.06Å; L635-I651 HydrophobicContact CD1-CD1 4.26Å; L635-I651 HydrophobicContact CD1-CG1 4.1Å; L635-I651 HydrophobicContact CD2-CD1 4.45Å; L635-I651 HydrophobicContact CD2-CG1 4.46Å; L635-I799 HydrophobicContact CB-CG2 4.08Å; L635-I799 VanDerWaalsContact O-CG2 3.27Å; L635-I799 WeakPolarHBondContact O-CG2 3.13Å; L635-M802 HydrophobicContact CD2-CB 4.04Å; L635-M802 HydrophobicContact CD2-CE 3.86Å; L635-M802 HydrophobicContact CD2-CG 3.87Å; L635-C803 WeakPolarHBondContact CB-SG 3.31Å
636	I	90.8	Very high	91	Very high	2 Å²	2	46 Å²	46	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-88.7	-16.5	-177.5	-64.5	169.4	0	0	0	112.4	L573 W575 P580 A583 V584 T632	L573-I636 HydrophobicContact CD2-CG1 4.3Å; W575-I636 HydrophobicContact CD2-CG2 4Å; W575-I636 HydrophobicContact CE3-CG2 3.95Å; W575-I636 HydrophobicContact CH2-CB 4.29Å; W575-I636 HydrophobicContact CH2-CG2 4.27Å; W575-I636 HydrophobicContact CZ2-CG2 4.3Å; W575-I636 HydrophobicContact CZ3-CB 4.43Å; W575-I636 HydrophobicContact CZ3-CG2 4.09Å; P580-I636 HydrophobicContact CB-CD1 4.31Å; P580-I636 HydrophobicContact CB-CG2 4.03Å; A583-I636 HydrophobicContact CB-CD1 4.09Å; V584-I636 HydrophobicContact CG2-CD1 3.67Å; T632-I636 HydrophobicContact CG2-CD1 3.98Å; T632-I636 WeakPolarHBondContact O-CG1 3.35Å; T632-I636 PolarHBondContact O-N 3.39Å
637	A	88.9	Confident	90.7	Very high	10 Å²	10	45 Å²	45	8%	0.083	22%	0.215	C	C	.	.	S	Bend	trans	-61.2	140.4	175.7	0	0	0	0	0	112.7	W575 F633 Y643	W575-A637 HydrophobicContact CZ2-CB 4.21Å; F633-A637 PolarHBondContact O-N 3.24Å; A637-Y643 HydrophobicContact CB-CD1 4.04Å; A637-Y643 HydrophobicContact CB-CD2 3.99Å; A637-Y643 HydrophobicContact CB-CE1 4.19Å; A637-Y643 HydrophobicContact CB-CE2 4.13Å; A637-Y643 HydrophobicContact CB-CG 3.96Å
638	K	89.6	Confident	90.5	Very high	83 Å²	83	43.5 Å²	43.5	36%	0.361	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-50.2	125.6	175.4	-179.7	176.1	-172	168.6	0	109.8	Y572 K640 Y643 L731	Y572-K638 HydrophobicContact CD1-CD 4.15Å; Y572-K638 HydrophobicContact CD1-CG 4.34Å; Y572-K638 HydrophobicContact CD2-CB 3.88Å; Y572-K638 HydrophobicContact CD2-CD 4.08Å; Y572-K638 HydrophobicContact CD2-CG 3.73Å; Y572-K638 HydrophobicContact CE1-CD 3.84Å; Y572-K638 HydrophobicContact CE1-CG 4.45Å; Y572-K638 HydrophobicContact CE2-CB 3.92Å; Y572-K638 HydrophobicContact CE2-CD 3.76Å; Y572-K638 HydrophobicContact CE2-CG 3.87Å; Y572-K638 HydrophobicContact CG-CD 4.27Å; Y572-K638 HydrophobicContact CG-CG 3.98Å; K638-K640 PolarHBondContact O-N 2.67Å; K638-K640 VanDerWaalsContact O-N 3.15Å; K638-Y643 WeakPolarHBondContact O-CD2 3.36Å; K638-L731 HydrophobicContact CG-CD2 4.29Å
639	P	89.8	Confident	90.3	Very high	18 Å²	18	46.1 Å²	46.1	12%	0.117	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-50.7	121.6	-177.9	-33.3	39	0	0	0	113.1	I719 L731	P639-I719 HydrophobicContact CB-CG2 4.23Å; P639-L731 HydrophobicContact CB-CD2 4.25Å; P639-L731 HydrophobicContact CB-CG 4.22Å
640	K	89.4	Confident	90.1	Very high	121 Å²	121	46.3 Å²	46.3	53%	0.526	22%	0.221	S	C	.	.			trans	-137.8	152.9	165	-62.6	-170.8	179.4	-172.1	0	106.2	K638 I642 Y643 C644	K638-K640 PolarHBondContact O-N 2.67Å; K638-K640 VanDerWaalsContact O-N 3.15Å; K640-I642 VanDerWaalsContact C-N 3.26Å; K640-I642 HydrophobicContact CB-CG2 4.33Å; K640-I642 PolarHBondContact O-N 2.67Å; K640-I642 VanDerWaalsContact O-N 3.11Å; K640-Y643 HydrophobicContact CB-CD2 3.81Å; K640-Y643 HydrophobicContact CB-CE2 4.37Å; K640-Y643 HydrophobicContact CD-CD2 4.46Å; K640-Y643 HydrophobicContact CD-CE2 4.2Å; K640-Y643 HydrophobicContact CG-CD2 4.12Å; K640-Y643 HydrophobicContact CG-CE2 4.33Å; K640-Y643 WeakPolarHBondContact O-CA 3.5Å; K640-Y643 PolarHBondContact O-N 3.46Å; K640-C644 PolarHBondContact O-N 3.47Å; K640-C644 PolarHBondContact O-SG 3.21Å; K640-C644 VanDerWaalsContact O-SG 3.4Å
641	Q	88.9	Confident	89.8	Confident	101 Å²	101	43.9 Å²	43.9	47%	0.472	21%	0.208	S	C	.	.	H	α-helix	trans	-47.9	-46.1	-176.6	-150.1	172.1	49.8	0	0	112.9	Y643 C644 Y645 D718	Q641-Y643 PolarHBondContact O-N 3.26Å; Q641-C644 WeakPolarHBondContact O-CB 3.45Å; Q641-C644 PolarHBondContact O-N 2.95Å; Q641-Y645 HydrophobicContact CG-CE2 4.3Å; Q641-Y645 VanDerWaalsContact O-CD2 3.31Å; Q641-Y645 WeakPolarHBondContact O-CD2 3.34Å; Q641-Y645 PolarHBondContact O-N 3.37Å; Q641-D718 PolarHBondContact NE2-OD1 3.08Å
642	I	90.1	Very high	89.6	Confident	103 Å²	103	43.7 Å²	43.7	53%	0.528	21%	0.207	S	C	.	.	H	α-helix	trans	-60.2	-39	175	-173.9	57.9	0	0	0	114	K640 Y645 L646	K640-I642 VanDerWaalsContact C-N 3.26Å; K640-I642 HydrophobicContact CB-CG2 4.33Å; K640-I642 PolarHBondContact O-N 2.67Å; K640-I642 VanDerWaalsContact O-N 3.11Å; I642-Y645 PolarHBondContact O-N 2.98Å; I642-L646 HydrophobicContact CG1-CD1 4.19Å; I642-L646 VanDerWaalsContact O-CG 3.29Å; I642-L646 WeakPolarHBondContact O-CG 3.49Å; I642-L646 PolarHBondContact O-N 3.34Å
643	Y	90.9	Very high	89.6	Confident	86 Å²	86	44.8 Å²	44.8	34%	0.337	21%	0.213	S	C	.	.	H	α-helix	trans	-71	-37.4	176	-63.9	-53	0	0	0	111.1	A637 K638 K640 Q641 Y645 L646 Q647	A637-Y643 HydrophobicContact CB-CD1 4.04Å; A637-Y643 HydrophobicContact CB-CD2 3.99Å; A637-Y643 HydrophobicContact CB-CE1 4.19Å; A637-Y643 HydrophobicContact CB-CE2 4.13Å; A637-Y643 HydrophobicContact CB-CG 3.96Å; K638-Y643 WeakPolarHBondContact O-CD2 3.36Å; K640-Y643 HydrophobicContact CB-CD2 3.81Å; K640-Y643 HydrophobicContact CB-CE2 4.37Å; K640-Y643 HydrophobicContact CD-CD2 4.46Å; K640-Y643 HydrophobicContact CD-CE2 4.2Å; K640-Y643 HydrophobicContact CG-CD2 4.12Å; K640-Y643 HydrophobicContact CG-CE2 4.33Å; K640-Y643 WeakPolarHBondContact O-CA 3.5Å; K640-Y643 PolarHBondContact O-N 3.46Å; Q641-Y643 PolarHBondContact O-N 3.26Å; Y643-Y645 VanDerWaalsContact C-N 3.35Å; Y643-Y645 PolarHBondContact O-N 3.19Å; Y643-L646 HydrophobicContact CD1-CD1 4.26Å; Y643-L646 PolarHBondContact O-N 3.1Å; Y643-L646 VanDerWaalsContact O-N 3.15Å; Y643-Q647 WeakPolarHBondContact O-CB 3.45Å; Y643-Q647 WeakPolarHBondContact O-CG 3.42Å; Y643-Q647 PolarHBondContact O-N 2.9Å
644	C	90.4	Very high	89.7	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.02	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-41.2	174.2	-55.9	0	0	0	0	112.1	K640 Q641 R648 P717 C733	K640-C644 PolarHBondContact O-N 3.47Å; K640-C644 PolarHBondContact O-SG 3.21Å; K640-C644 VanDerWaalsContact O-SG 3.4Å; Q641-C644 WeakPolarHBondContact O-CB 3.45Å; Q641-C644 PolarHBondContact O-N 2.95Å; C644-R648 PolarHBondContact O-N 2.95Å; C644-P717 HydrophobicContact CB-CB 4.06Å; C644-C733 WeakPolarHBondContact CA-SG 3.45Å; C644-C733 HydrophobicContact CB-CB 3.62Å; C644-C733 WeakPolarHBondContact CB-SG 3.28Å; C644-C733 WeakPolarHBondContact SG-CB 3.14Å; C644-C733 CovalentContact SG-SG 2.04Å; C644-C733 PolarHBondContact SG-SG 3.26Å
645	Y	90.3	Very high	89.7	Confident	91 Å²	91	41.2 Å²	41.2	36%	0.357	20%	0.195	S	C	.	.	H	α-helix	trans	-59.3	-50.3	168.9	-84.7	-75.7	0	0	0	112.3	Q641 I642 Y643 Q647 R648 I649 F712 P717	Q641-Y645 HydrophobicContact CG-CE2 4.3Å; Q641-Y645 VanDerWaalsContact O-CD2 3.31Å; Q641-Y645 WeakPolarHBondContact O-CD2 3.34Å; Q641-Y645 PolarHBondContact O-N 3.37Å; I642-Y645 PolarHBondContact O-N 2.98Å; Y643-Y645 VanDerWaalsContact C-N 3.35Å; Y643-Y645 PolarHBondContact O-N 3.19Å; Y645-Q647 PolarHBondContact O-N 3.35Å; Y645-R648 PolarHBondContact O-N 3.21Å; Y645-I649 WeakPolarHBondContact O-CG2 3.21Å; Y645-I649 PolarHBondContact O-N 2.76Å; Y645-I649 VanDerWaalsContact O-N 3.1Å; Y645-F712 AromaticContact CD1-CD1 3.94Å; Y645-F712 HydrophobicContact CD1-CD1 3.94Å; Y645-F712 AromaticContact CD1-CE1 3.64Å; Y645-F712 HydrophobicContact CD1-CE1 3.64Å; Y645-F712 HydrophobicContact CD1-CE2 4.29Å; Y645-F712 HydrophobicContact CD1-CG 4.39Å; Y645-F712 AromaticContact CD1-CZ 3.83Å; Y645-F712 HydrophobicContact CD1-CZ 3.83Å; Y645-F712 AromaticContact CE1-CD1 3.94Å; Y645-F712 HydrophobicContact CE1-CD1 3.94Å; Y645-F712 HydrophobicContact CE1-CE1 4.13Å; Y645-F712 HydrophobicContact CE1-CG 4.21Å; Y645-P717 HydrophobicContact CD1-CG 3.41Å; Y645-P717 VanDerWaalsContact CD1-CG 3.41Å; Y645-P717 HydrophobicContact CD2-CG 3.75Å; Y645-P717 HydrophobicContact CE1-CG 3.42Å; Y645-P717 VanDerWaalsContact CE1-CG 3.42Å; Y645-P717 HydrophobicContact CE2-CG 3.75Å; Y645-P717 HydrophobicContact CG-CG 3.57Å
646	L	90.1	Very high	89.9	Confident	73 Å²	73	40.9 Å²	40.9	38%	0.382	19%	0.193	S	C	.	.	H	α-helix	trans	-64.2	-35.8	-177.4	-73.2	170.7	0	0	0	113.3	C634 I642 Y643 I649 G650	C634-L646 HydrophobicContact CB-CB 4.28Å; I642-L646 HydrophobicContact CG1-CD1 4.19Å; I642-L646 VanDerWaalsContact O-CG 3.29Å; I642-L646 WeakPolarHBondContact O-CG 3.49Å; I642-L646 PolarHBondContact O-N 3.34Å; Y643-L646 HydrophobicContact CD1-CD1 4.26Å; Y643-L646 PolarHBondContact O-N 3.1Å; Y643-L646 VanDerWaalsContact O-N 3.15Å; L646-I649 WeakPolarHBondContact O-CG2 3.27Å; L646-G650 PolarHBondContact O-N 2.95Å; L646-G650 VanDerWaalsContact O-N 3.08Å
647	Q	88.3	Confident	90	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-57.5	172.7	-72.2	172.3	13.6	0	0	110.5	C634 L635 Y643 Y645 I649 G650 I651	C634-Q647 VanDerWaalsContact O-CG 3.28Å; C634-Q647 WeakPolarHBondContact O-CG 3.25Å; C634-Q647 PolarHBondContact O-NE2 3.29Å; L635-Q647 HydrophobicContact CD1-CB 4.17Å; L635-Q647 HydrophobicContact CD1-CG 3.9Å; L635-Q647 HydrophobicContact CG-CG 4.06Å; Y643-Q647 WeakPolarHBondContact O-CB 3.45Å; Y643-Q647 WeakPolarHBondContact O-CG 3.42Å; Y643-Q647 PolarHBondContact O-N 2.9Å; Y645-Q647 PolarHBondContact O-N 3.35Å; Q647-I649 PolarHBondContact O-N 3.14Å; Q647-G650 PolarHBondContact O-N 2.84Å; Q647-G650 VanDerWaalsContact O-N 3.11Å; Q647-I651 HydrophobicContact CB-CD1 4.44Å; Q647-I651 VanDerWaalsContact O-CD1 3.24Å; Q647-I651 WeakPolarHBondContact O-CD1 3.23Å; Q647-I651 VanDerWaalsContact O-CG1 3.25Å; Q647-I651 WeakPolarHBondContact O-CG1 3.2Å; Q647-I651 PolarHBondContact O-N 2.68Å
648	R	87.9	Confident	90.2	Very high	26 Å²	26	42.8 Å²	42.8	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-38.6	-172.1	-163.4	170.5	-179	-154.6	-1.8	113.1	C644 Y645 L711 F712 E715	C644-R648 PolarHBondContact O-N 2.95Å; Y645-R648 PolarHBondContact O-N 3.21Å; R648-L711 PolarHBondContact NH1-O 3Å; R648-L711 PolarHBondContact NH2-O 3.05Å; R648-F712 HydrophobicContact CB-CE1 3.91Å; R648-F712 HydrophobicContact CB-CZ 4.24Å; R648-F712 HydrophobicContact CG-CE1 4.1Å; R648-E715 IonicContact CZ-OE2 2.77Å; R648-E715 PolarHBondContact NH1-O 2.83Å; R648-E715 IonicContact NH2-OE2 3.02Å; R648-E715 PolarHBondContact NH2-OE2 3.07Å
649	I	90.3	Very high	90.3	Very high	56 Å²	56	39.3 Å²	39.3	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-67.8	-41.2	172.3	-167.2	172.3	0	0	0	111.7	Y645 L646 Q647 G652 L653 I708 F712	Y645-I649 WeakPolarHBondContact O-CG2 3.21Å; Y645-I649 PolarHBondContact O-N 2.76Å; Y645-I649 VanDerWaalsContact O-N 3.1Å; L646-I649 WeakPolarHBondContact O-CG2 3.27Å; Q647-I649 PolarHBondContact O-N 3.14Å; I649-G652 PolarHBondContact O-N 2.85Å; I649-L653 HydrophobicContact CG1-CB 4.49Å; I649-L653 HydrophobicContact CG1-CD2 4.26Å; I649-L653 WeakPolarHBondContact O-CB 3.39Å; I649-L653 PolarHBondContact O-N 2.81Å; I649-I708 HydrophobicContact CB-CG2 4.44Å; I649-I708 HydrophobicContact CG1-CG2 4.36Å; I649-F712 HydrophobicContact CB-CE2 4.35Å; I649-F712 HydrophobicContact CB-CZ 4.16Å
650	G	89.1	Confident	90.5	Very high	4 Å²	4	38.4 Å²	38.4	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-50.5	-175.9	0	0	0	0	0	113.6	C631 L646 Q647 G652 L653 S654	C631-G650 WeakPolarHBondContact SG-CA 3.31Å; L646-G650 PolarHBondContact O-N 2.95Å; L646-G650 VanDerWaalsContact O-N 3.08Å; Q647-G650 PolarHBondContact O-N 2.84Å; Q647-G650 VanDerWaalsContact O-N 3.11Å; G650-G652 VanDerWaalsContact C-N 3.3Å; G650-G652 PolarHBondContact O-N 3.22Å; G650-L653 PolarHBondContact O-N 3.45Å; G650-S654 WeakPolarHBondContact O-CB 3.44Å; G650-S654 PolarHBondContact O-N 3.38Å; G650-S654 VanDerWaalsContact O-N 3.14Å
651	I	87.4	Confident	90.6	Very high	31 Å²	31	32.7 Å²	32.7	16%	0.159	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-41.6	-180	-61.3	152	0	0	0	110.9	L635 Q647 P655 M802	L635-I651 HydrophobicContact CD1-CD1 4.26Å; L635-I651 HydrophobicContact CD1-CG1 4.1Å; L635-I651 HydrophobicContact CD2-CD1 4.45Å; L635-I651 HydrophobicContact CD2-CG1 4.46Å; Q647-I651 HydrophobicContact CB-CD1 4.44Å; Q647-I651 VanDerWaalsContact O-CD1 3.24Å; Q647-I651 WeakPolarHBondContact O-CD1 3.23Å; Q647-I651 VanDerWaalsContact O-CG1 3.25Å; Q647-I651 WeakPolarHBondContact O-CG1 3.2Å; Q647-I651 PolarHBondContact O-N 2.68Å; I651-P655 WeakPolarHBondContact O-CD 3.35Å; I651-P655 WeakPolarHBondContact O-CG 3.17Å; I651-M802 HydrophobicContact CD1-CE 3.56Å; I651-M802 HydrophobicContact CD1-CG 4.4Å; I651-M802 HydrophobicContact CD1-SD 3.51Å; I651-M802 VanDerWaalsContact CD1-SD 3.51Å; I651-M802 HydrophobicContact CG1-CE 4.46Å; I651-M802 HydrophobicContact CG1-CG 4.34Å; I651-M802 HydrophobicContact CG1-SD 3.98Å; I651-M802 HydrophobicContact CG2-CG 4.5Å; I651-M802 HydrophobicContact CG2-SD 4Å
652	G	88	Confident	90.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-75.1	-44.8	-179.9	0	0	0	0	0	113.7	I649 G650 A656 Q704 N747	I649-G652 PolarHBondContact O-N 2.85Å; G650-G652 VanDerWaalsContact C-N 3.3Å; G650-G652 PolarHBondContact O-N 3.22Å; G652-A656 WeakPolarHBondContact O-CB 3.08Å; G652-Q704 PolarHBondContact O-NE2 2.96Å; G652-N747 PolarHBondContact O-ND2 3.41Å
653	L	91.3	Very high	90.7	Very high	25 Å²	25	23.9 Å²	23.9	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-85.8	-37.8	-166.2	-169.5	64	0	0	0	114.2	I649 G650 A656 M657 I701 I708	I649-L653 HydrophobicContact CG1-CB 4.49Å; I649-L653 HydrophobicContact CG1-CD2 4.26Å; I649-L653 WeakPolarHBondContact O-CB 3.39Å; I649-L653 PolarHBondContact O-N 2.81Å; G650-L653 PolarHBondContact O-N 3.45Å; L653-A656 PolarHBondContact O-N 2.86Å; L653-M657 HydrophobicContact CD1-CG 4.34Å; L653-M657 HydrophobicContact CD2-SD 4.44Å; L653-M657 HydrophobicContact CG-CG 4.23Å; L653-M657 HydrophobicContact CG-SD 4.04Å; L653-M657 WeakPolarHBondContact O-CG 3.5Å; L653-M657 PolarHBondContact O-N 3.27Å; L653-I701 HydrophobicContact CD1-CG2 4.06Å; L653-I708 HydrophobicContact CB-CD1 4.23Å
654	S	92.7	Very high	90.6	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-48.7	-178.1	156.8	0	0	0	0	113.5	G624 G628 G650 A656 S658	G624-S654 PolarHBondContact O-OG 3.48Å; G628-S654 WeakPolarHBondContact CA-OG 3.26Å; G628-S654 PolarHBondContact N-OG 3.04Å; G628-S654 VanDerWaalsContact N-OG 3.14Å; G650-S654 WeakPolarHBondContact O-CB 3.44Å; G650-S654 PolarHBondContact O-N 3.38Å; G650-S654 VanDerWaalsContact O-N 3.14Å; S654-A656 VanDerWaalsContact C-N 3.34Å; S654-S658 PolarHBondContact O-N 3.4Å; S654-S658 PolarHBondContact O-OG 3.22Å
655	P	90.9	Very high	90.3	Very high	7 Å²	7	20 Å²	20	5%	0.045	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-38.5	175.7	-18.2	31.7	0	0	0	111.1	I651 M657 S658 Y659 W785	I651-P655 WeakPolarHBondContact O-CD 3.35Å; I651-P655 WeakPolarHBondContact O-CG 3.17Å; P655-M657 PolarHBondContact O-N 2.97Å; P655-S658 WeakPolarHBondContact O-CB 3.29Å; P655-S658 PolarHBondContact O-N 3.36Å; P655-Y659 HydrophobicContact CB-CD2 4.03Å; P655-Y659 HydrophobicContact CB-CE2 3.83Å; P655-Y659 WeakPolarHBondContact O-CD2 3.37Å; P655-Y659 PolarHBondContact O-N 3.34Å; P655-W785 HydrophobicContact CB-CZ2 4.1Å; P655-W785 HydrophobicContact CG-CH2 4.12Å; P655-W785 HydrophobicContact CG-CZ2 3.9Å
656	A	93.1	Very high	90.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.8	-41.9	179.9	0	0	0	0	0	112.5	G652 L653 S654 S660 Q704 N747 L750	G652-A656 WeakPolarHBondContact O-CB 3.08Å; L653-A656 PolarHBondContact O-N 2.86Å; S654-A656 VanDerWaalsContact C-N 3.34Å; A656-S660 WeakPolarHBondContact O-CB 3.39Å; A656-S660 PolarHBondContact O-N 2.94Å; A656-S660 PolarHBondContact O-OG 2.69Å; A656-Q704 HydrophobicContact CB-CB 3.76Å; A656-Q704 HydrophobicContact CB-CG 3.57Å; A656-N747 VanDerWaalsContact CA-OD1 3.31Å; A656-N747 WeakPolarHBondContact CA-OD1 3.38Å; A656-N747 WeakPolarHBondContact CB-OD1 3.41Å; A656-N747 PolarHBondContact N-OD1 2.79Å; A656-N747 VanDerWaalsContact N-OD1 3.12Å; A656-L750 HydrophobicContact CB-CD1 4.28Å
657	M	93.1	Very high	89.8	Confident	38 Å²	38	14 Å²	14	19%	0.187	7%	0.073	C	C	.	.	H	α-helix	trans	-59.5	-48.1	172.7	-72.2	175	64	0	0	111.6	A623 L627 L653 P655 A661 I701	A623-M657 HydrophobicContact CB-CE 4.31Å; L627-M657 HydrophobicContact CD2-SD 4.02Å; L653-M657 HydrophobicContact CD1-CG 4.34Å; L653-M657 HydrophobicContact CD2-SD 4.44Å; L653-M657 HydrophobicContact CG-CG 4.23Å; L653-M657 HydrophobicContact CG-SD 4.04Å; L653-M657 WeakPolarHBondContact O-CG 3.5Å; L653-M657 PolarHBondContact O-N 3.27Å; P655-M657 PolarHBondContact O-N 2.97Å; M657-A661 PolarHBondContact O-N 2.85Å; M657-I701 HydrophobicContact CB-CD1 4.36Å; M657-I701 HydrophobicContact CG-CD1 4.06Å; M657-I701 HydrophobicContact CG-CG1 4.14Å; M657-I701 HydrophobicContact CG-CG2 4.12Å
658	S	92.7	Very high	89.4	Confident	14 Å²	14	17 Å²	17	10%	0.098	8%	0.084	C	C	.	.	H	α-helix	trans	-61.4	-50.6	-178.7	-54.7	0	0	0	0	111.6	G624 S654 P655 L662	G624-S658 WeakPolarHBondContact CA-OG 3.25Å; S654-S658 PolarHBondContact O-N 3.4Å; S654-S658 PolarHBondContact O-OG 3.22Å; P655-S658 WeakPolarHBondContact O-CB 3.29Å; P655-S658 PolarHBondContact O-N 3.36Å; S658-L662 WeakPolarHBondContact O-CB 3.34Å; S658-L662 PolarHBondContact O-N 3.38Å; S658-L662 VanDerWaalsContact O-N 3.09Å
659	Y	92.5	Very high	89	Confident	10 Å²	10	17.2 Å²	17.2	4%	0.039	9%	0.087	C	C	.	.	H	α-helix	trans	-76.5	-29.5	-178.7	-60.9	-53.4	0	0	0	113.5	P655 L662 V663 I751 M778 T781 W785 S809	P655-Y659 HydrophobicContact CB-CD2 4.03Å; P655-Y659 HydrophobicContact CB-CE2 3.83Å; P655-Y659 WeakPolarHBondContact O-CD2 3.37Å; P655-Y659 PolarHBondContact O-N 3.34Å; Y659-L662 HydrophobicContact CD1-CD2 4.43Å; Y659-L662 PolarHBondContact O-N 3.06Å; Y659-V663 WeakPolarHBondContact O-CB 3.19Å; Y659-V663 PolarHBondContact O-N 2.68Å; Y659-I751 HydrophobicContact CD1-CG1 4.29Å; Y659-I751 HydrophobicContact CD2-CD1 4.24Å; Y659-I751 HydrophobicContact CD2-CG1 3.8Å; Y659-I751 HydrophobicContact CE1-CG1 4.09Å; Y659-I751 HydrophobicContact CE2-CD1 3.66Å; Y659-I751 HydrophobicContact CE2-CG1 3.57Å; Y659-I751 HydrophobicContact CG-CG1 4.16Å; Y659-M778 HydrophobicContact CE1-CE 4.39Å; Y659-M778 HydrophobicContact CE1-SD 4.49Å; Y659-T781 HydrophobicContact CE1-CG2 4.48Å; Y659-W785 AromaticContact CE2-NE1 3.96Å; Y659-W785 AromaticContact CZ-NE1 3.93Å; Y659-W785 PolarHBondContact OH-NE1 3.43Å; Y659-S809 PolarHBondContact OH-OG 3.04Å
660	S	93.3	Very high	88.2	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.6	-39.9	174.8	-66.4	0	0	0	0	112.4	A656 V663 T664 L700	A656-S660 WeakPolarHBondContact O-CB 3.39Å; A656-S660 PolarHBondContact O-N 2.94Å; A656-S660 PolarHBondContact O-OG 2.69Å; S660-V663 WeakPolarHBondContact O-CG1 3.32Å; S660-T664 WeakPolarHBondContact O-CB 3.41Å; S660-T664 PolarHBondContact O-N 3.35Å; S660-T664 PolarHBondContact O-OG1 2.95Å; S660-L700 VanDerWaalsContact OG-CB 3.29Å; S660-L700 WeakPolarHBondContact OG-CB 3.42Å
661	A	91.5	Very high	87.5	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-71.1	-37.9	172.4	0	0	0	0	0	111.8	L617 I620 I621 M657 T664 K665	L617-A661 HydrophobicContact CB-CB 4.5Å; L617-A661 HydrophobicContact CD2-CB 4.43Å; I620-A661 HydrophobicContact CB-CB 4.04Å; I620-A661 HydrophobicContact CG2-CB 3.77Å; I621-A661 HydrophobicContact CD1-CB 4.2Å; I621-A661 HydrophobicContact CG1-CB 3.59Å; M657-A661 PolarHBondContact O-N 2.85Å; A661-T664 PolarHBondContact O-N 3.13Å; A661-K665 WeakPolarHBondContact O-CB 3.47Å; A661-K665 PolarHBondContact O-N 3.05Å
662	L	89.6	Confident	86.8	Confident	7 Å²	7	20.8 Å²	20.8	4%	0.037	10%	0.101	C	C	.	.	H	α-helix	trans	-68.7	-42.9	178.6	-169.6	55.2	0	0	0	113.1	I621 S658 Y659 T664 K665 T666 I774 M778 M817	I621-L662 HydrophobicContact CD1-CB 4.38Å; I621-L662 HydrophobicContact CD1-CD1 4.42Å; S658-L662 WeakPolarHBondContact O-CB 3.34Å; S658-L662 PolarHBondContact O-N 3.38Å; S658-L662 VanDerWaalsContact O-N 3.09Å; Y659-L662 HydrophobicContact CD1-CD2 4.43Å; Y659-L662 PolarHBondContact O-N 3.06Å; L662-T664 VanDerWaalsContact C-N 3.33Å; L662-T664 PolarHBondContact O-N 3.39Å; L662-K665 WeakPolarHBondContact O-CB 3.39Å; L662-K665 PolarHBondContact O-N 3.41Å; L662-K665 VanDerWaalsContact O-N 3.16Å; L662-T666 PolarHBondContact O-N 3.26Å; L662-T666 PolarHBondContact O-OG1 3.37Å; L662-I774 HydrophobicContact CD1-CG1 4.37Å; L662-I774 HydrophobicContact CD1-CG2 3.9Å; L662-I774 HydrophobicContact CG-CG2 4.48Å; L662-M778 HydrophobicContact CD2-SD 3.51Å; L662-M778 VanDerWaalsContact CD2-SD 3.51Å; L662-M778 HydrophobicContact CG-SD 4.38Å; L662-M817 HydrophobicContact CD1-CE 3.62Å; L662-M817 HydrophobicContact CD1-SD 3.74Å
663	V	90.3	Very high	85.9	Confident	12 Å²	12	22.7 Å²	22.7	7%	0.073	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-38.8	175.6	81.4	0	0	0	0	111.1	Y659 S660 K665 T666 N667 L700 C754 Y757	Y659-V663 WeakPolarHBondContact O-CB 3.19Å; Y659-V663 PolarHBondContact O-N 2.68Å; S660-V663 WeakPolarHBondContact O-CG1 3.32Å; V663-K665 VanDerWaalsContact C-N 3.28Å; V663-K665 PolarHBondContact O-N 3.24Å; V663-T666 PolarHBondContact O-OG1 3.08Å; V663-N667 WeakPolarHBondContact O-CB 3.33Å; V663-N667 PolarHBondContact O-N 3.08Å; V663-L700 HydrophobicContact CG1-CD1 3.58Å; V663-C754 WeakPolarHBondContact CB-SG 3.49Å; V663-Y757 HydrophobicContact CG2-CD2 3.73Å; V663-Y757 HydrophobicContact CG2-CE2 3.9Å
664	T	89	Confident	84.6	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-40.2	174.3	-62.3	0	0	0	0	110.9	L617 S660 A661 L662 R668 Q693 I696 A697	L617-T664 HydrophobicContact CD1-CG2 3.92Å; L617-T664 HydrophobicContact CD2-CG2 4.21Å; S660-T664 WeakPolarHBondContact O-CB 3.41Å; S660-T664 PolarHBondContact O-N 3.35Å; S660-T664 PolarHBondContact O-OG1 2.95Å; A661-T664 PolarHBondContact O-N 3.13Å; L662-T664 VanDerWaalsContact C-N 3.33Å; L662-T664 PolarHBondContact O-N 3.39Å; T664-R668 PolarHBondContact O-N 3.39Å; T664-Q693 HydrophobicContact CG2-CB 3.92Å; T664-Q693 HydrophobicContact CG2-CG 4.43Å; T664-Q693 WeakPolarHBondContact CG2-O 3.11Å; T664-I696 HydrophobicContact CG2-CB 4.44Å; T664-I696 HydrophobicContact CG2-CG2 4.35Å; T664-A697 HydrophobicContact CG2-CB 4.45Å
665	K	85.2	Confident	83.1	Confident	6 Å²	6	25.4 Å²	25.4	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-71	-43.5	179.4	-166.6	177.2	177.1	-175.7	0	112.9	L617 C618 A661 L662 V663 R668 I669 E770 M817	L617-K665 HydrophobicContact CD1-CB 4.07Å; C618-K665 PolarHBondContact SG-NZ 3.07Å; C618-K665 VanDerWaalsContact SG-NZ 3.43Å; A661-K665 WeakPolarHBondContact O-CB 3.47Å; A661-K665 PolarHBondContact O-N 3.05Å; L662-K665 WeakPolarHBondContact O-CB 3.39Å; L662-K665 PolarHBondContact O-N 3.41Å; L662-K665 VanDerWaalsContact O-N 3.16Å; V663-K665 VanDerWaalsContact C-N 3.28Å; V663-K665 PolarHBondContact O-N 3.24Å; K665-R668 WeakPolarHBondContact O-CB 3.27Å; K665-R668 PolarHBondContact O-N 2.89Å; K665-I669 WeakPolarHBondContact O-CG1 3.18Å; K665-I669 PolarHBondContact O-N 3.47Å; K665-E770 WeakPolarHBondContact CE-OE1 3.35Å; K665-E770 IonicContact NZ-OE1 2.7Å; K665-E770 PolarHBondContact NZ-OE1 2.94Å; K665-M817 HydrophobicContact CD-CE 3.88Å
666	T	85.3	Confident	81.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.3	-39.8	174.6	54.2	0	0	0	0	111.9	L662 V663 R668 I669 A670 I774	L662-T666 PolarHBondContact O-N 3.26Å; L662-T666 PolarHBondContact O-OG1 3.37Å; V663-T666 PolarHBondContact O-OG1 3.08Å; T666-R668 VanDerWaalsContact C-N 3.33Å; T666-R668 PolarHBondContact O-N 2.89Å; T666-I669 PolarHBondContact O-N 3.42Å; T666-I669 VanDerWaalsContact O-N 3.11Å; T666-A670 WeakPolarHBondContact O-CB 3.5Å; T666-A670 PolarHBondContact O-N 2.9Å; T666-I774 HydrophobicContact CG2-CG2 3.49Å; T666-I774 VanDerWaalsContact CG2-CG2 3.49Å
667	N	83.8	Confident	79.8	Confident	39 Å²	39	37.8 Å²	37.8	21%	0.209	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-36.7	174.9	-174.1	-19.2	0	0	0	111.8	V663 A670 R671 Y757	V663-N667 WeakPolarHBondContact O-CB 3.33Å; V663-N667 PolarHBondContact O-N 3.08Å; N667-A670 PolarHBondContact O-N 3.23Å; N667-R671 WeakPolarHBondContact O-CB 3.29Å; N667-R671 WeakPolarHBondContact O-CG 3.27Å; N667-R671 PolarHBondContact O-N 2.83Å; N667-R671 WeakPolarHBondContact OD1-CD 3.46Å; N667-R671 PolarHBondContact OD1-NE 3.12Å; N667-Y757 HydrophobicContact CB-CD2 4.28Å; N667-Y757 HydrophobicContact CB-CE2 4.27Å
668	R	80.9	Confident	77.8	Confident	74 Å²	74	43.4 Å²	43.4	28%	0.279	23%	0.227	S	C	.	.	H	α-helix	trans	-55.7	-51.7	169.1	-176.8	-165.6	174.3	-160.3	-13	111	S614 T664 K665 T666 R671 I672 M688	S614-R668 PolarHBondContact OG-NH1 3.23Å; T664-R668 PolarHBondContact O-N 3.39Å; K665-R668 WeakPolarHBondContact O-CB 3.27Å; K665-R668 PolarHBondContact O-N 2.89Å; T666-R668 VanDerWaalsContact C-N 3.33Å; T666-R668 PolarHBondContact O-N 2.89Å; R668-R671 PolarHBondContact O-N 2.93Å; R668-I672 HydrophobicContact CG-CD1 4.03Å; R668-I672 WeakPolarHBondContact O-CG1 3.37Å; R668-I672 PolarHBondContact O-N 2.99Å; R668-I672 VanDerWaalsContact O-N 3.08Å; R668-M688 HydrophobicContact CG-SD 4.47Å
669	I	78.1	Confident	75.5	Confident	32 Å²	32	53.1 Å²	53.1	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-47	-179.2	-61.8	166.6	0	0	0	110.6	K665 T666 R671 I672 L673 T761 I774	K665-I669 WeakPolarHBondContact O-CG1 3.18Å; K665-I669 PolarHBondContact O-N 3.47Å; T666-I669 PolarHBondContact O-N 3.42Å; T666-I669 VanDerWaalsContact O-N 3.11Å; I669-R671 VanDerWaalsContact C-N 3.32Å; I669-R671 PolarHBondContact O-N 3.17Å; I669-I672 PolarHBondContact O-N 2.89Å; I669-L673 HydrophobicContact CG2-CD1 3.86Å; I669-L673 WeakPolarHBondContact O-CG 3.45Å; I669-L673 PolarHBondContact O-N 3.03Å; I669-T761 HydrophobicContact CB-CG2 4.08Å; I669-T761 HydrophobicContact CG2-CG2 3.69Å; I669-I774 HydrophobicContact CD1-CD1 4.3Å
670	A	74.3	Confident	73.4	Confident	10 Å²	10	59.2 Å²	59.2	8%	0.083	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-38.7	178.7	0	0	0	0	0	112.9	T666 N667 A674 T761	T666-A670 WeakPolarHBondContact O-CB 3.5Å; T666-A670 PolarHBondContact O-N 2.9Å; N667-A670 PolarHBondContact O-N 3.23Å; A670-A674 WeakPolarHBondContact O-CB 3.28Å; A670-A674 PolarHBondContact O-N 2.98Å; A670-T761 HydrophobicContact CB-CG2 3.82Å
671	R	75.4	Confident	71.2	Confident	71 Å²	71	63.4 Å²	63.4	27%	0.268	33%	0.328	S	S	.	.	H	α-helix	trans	-72.3	-35.5	176.4	-76.5	-173.9	-74.4	147.7	-0.7	113.1	N667 R668 I669 A674 G675 F687 M688	N667-R671 WeakPolarHBondContact O-CB 3.29Å; N667-R671 WeakPolarHBondContact O-CG 3.27Å; N667-R671 PolarHBondContact O-N 2.83Å; N667-R671 WeakPolarHBondContact OD1-CD 3.46Å; N667-R671 PolarHBondContact OD1-NE 3.12Å; R668-R671 PolarHBondContact O-N 2.93Å; I669-R671 VanDerWaalsContact C-N 3.32Å; I669-R671 PolarHBondContact O-N 3.17Å; R671-A674 PolarHBondContact O-N 2.91Å; R671-G675 PolarHBondContact O-N 2.97Å; R671-F687 PolarHBondContact NH1-O 3.29Å; R671-F687 PolarHBondContact NH2-O 3.09Å; R671-M688 HydrophobicContact CB-CE 3.7Å
672	I	72.3	Confident	69.2	Low	84 Å²	84	69.7 Å²	69.7	43%	0.431	37%	0.367	S	S	.	.	H	α-helix	trans	-61.1	-46.1	172.8	-69.6	165.1	0	0	0	110.3	R668 I669 G675 S676 M688	R668-I672 HydrophobicContact CG-CD1 4.03Å; R668-I672 WeakPolarHBondContact O-CG1 3.37Å; R668-I672 PolarHBondContact O-N 2.99Å; R668-I672 VanDerWaalsContact O-N 3.08Å; I669-I672 PolarHBondContact O-N 2.89Å; I672-G675 PolarHBondContact O-N 2.86Å; I672-S676 PolarHBondContact O-N 3.3Å; I672-M688 HydrophobicContact CG1-SD 3.96Å
673	L	68.7	Low	67.4	Low	42 Å²	42	78 Å²	78	22%	0.22	40%	0.403	C	S	.	.	H	α-helix	trans	-68.4	-35.5	179	-65.4	163.3	0	0	0	113.4	I669 G675 S676 K677 T761 V764	I669-L673 HydrophobicContact CG2-CD1 3.86Å; I669-L673 WeakPolarHBondContact O-CG 3.45Å; I669-L673 PolarHBondContact O-N 3.03Å; L673-G675 VanDerWaalsContact C-N 3.29Å; L673-S676 PolarHBondContact O-N 3.48Å; L673-S676 PolarHBondContact O-OG 2.9Å; L673-K677 PolarHBondContact O-N 3.26Å; L673-T761 HydrophobicContact CD1-CG2 4.02Å; L673-V764 HydrophobicContact CD1-CG2 3.38Å; L673-V764 HydrophobicContact CD2-CG1 4.44Å; L673-V764 HydrophobicContact CD2-CG2 3.79Å; L673-V764 HydrophobicContact CG-CG2 4.22Å
674	A	64.4	Low	65.6	Low	58 Å²	58	86.9 Å²	86.9	48%	0.479	44%	0.44	S	S	.	.	H	α-helix	trans	-67.2	-32.3	173.1	0	0	0	0	0	112	A670 R671	A670-A674 WeakPolarHBondContact O-CB 3.28Å; A670-A674 PolarHBondContact O-N 2.98Å; R671-A674 PolarHBondContact O-N 2.91Å
675	G	60.6	Low	64.1	Low	28 Å²	28	91.4 Å²	91.4	29%	0.289	47%	0.47	S	S	.	.	H	α-helix	trans	-67.5	-51.6	170.5	0	0	0	0	0	112.3	R671 I672 L673 K677 K678	R671-G675 PolarHBondContact O-N 2.97Å; I672-G675 PolarHBondContact O-N 2.86Å; L673-G675 VanDerWaalsContact C-N 3.29Å; G675-K677 PolarHBondContact O-N 2.9Å; G675-K677 VanDerWaalsContact O-N 3.11Å; G675-K678 PolarHBondContact O-N 3.44Å
676	S	57.3	Low	62.8	Low	88 Å²	88	101.3 Å²	101.3	62%	0.615	51%	0.507	S	S	*	.	H	α-helix	trans	-64.1	-20	-174.2	72.5	0	0	0	0	114.6	I672 L673	I672-S676 PolarHBondContact O-N 3.3Å; L673-S676 PolarHBondContact O-N 3.48Å; L673-S676 PolarHBondContact O-OG 2.9Å
677	K	57	Low	61.5	Low	179 Å²	179	107.9 Å²	107.9	78%	0.778	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9	175.7	-71.8	-169.2	176.6	-169.2	0	114.6	L673 G675	L673-K677 PolarHBondContact O-N 3.26Å; G675-K677 PolarHBondContact O-N 2.9Å; G675-K677 VanDerWaalsContact O-N 3.11Å
678	K	51.3	Low	60.4	Low	155 Å²	155	108.1 Å²	108.1	67%	0.674	54%	0.536	S	S	*	.	S	Bend	trans	-98	108.7	171.8	-67.8	-165	176.1	-166.8	0	109.5	G675 I680	G675-K678 PolarHBondContact O-N 3.44Å; K678-I680 PolarHBondContact O-N 3.11Å
679	K	43.9	Very low	60.1	Low	218 Å²	218	108 Å²	108	95%	0.948	55%	0.546	S	S	*	.	S	Bend	trans	-58.8	-11.1	-174.5	-87.9	-171.2	173	-176.8	0	115.8
680	I	49.6	Very low	59.7	Low	138 Å²	138	109.2 Å²	109.2	71%	0.708	56%	0.561	S	S	*	*			trans	-134.1	123.1	173.4	-58.5	178.2	0	0	0	108.8	K678 T682	K678-I680 PolarHBondContact O-N 3.11Å; I680-T682 HydrophobicContact CG2-CG2 3.95Å
681	C	46.6	Very low	60	Low	89 Å²	89	113 Å²	113	60%	0.601	59%	0.586	S	S	*	*			trans	-118.1	82	177.9	-80.5	0	0	0	0	112.1	K683	C681-K683 VanDerWaalsContact C-N 3.3Å; C681-K683 PolarHBondContact O-N 3.4Å
682	T	50.2	Low	60.2	Low	132 Å²	132	110.6 Å²	110.6	81%	0.81	58%	0.582	S	S	*	*			trans	-77.4	-1.5	179.7	44.1	0	0	0	0	115.5	I680	I680-T682 HydrophobicContact CG2-CG2 3.95Å
683	K	51.3	Low	60.7	Low	182 Å²	182	107 Å²	107	79%	0.791	56%	0.563	S	S	*	*	S	Bend	trans	-132.5	131.1	172.2	-73	-176.2	178.9	174.8	0	111	C681	C681-K683 VanDerWaalsContact C-N 3.3Å; C681-K683 PolarHBondContact O-N 3.4Å
684	K	52.1	Low	61.6	Low	198 Å²	198	108 Å²	108	86%	0.861	57%	0.568	S	S	*	*			trans	-58.6	128.5	172.1	-68.4	-178.5	179.4	176.7	0	109.4	R686	K684-R686 PolarHBondContact O-N 2.97Å; K684-R686 VanDerWaalsContact O-N 3.11Å
685	P	57.1	Low	62.8	Low	97 Å²	97	109.1 Å²	109.1	63%	0.63	57%	0.569	S	S	*	*			trans	-65.1	112.6	178.8	24.7	-33.3	0	0	0	110.9	M688	P685-M688 HydrophobicContact CB-CG 3.97Å; P685-M688 HydrophobicContact CG-CG 3.86Å
686	R	58.2	Low	64.1	Low	214 Å²	214	110.2 Å²	110.2	81%	0.808	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	153.2	174.9	-70.7	-178.4	172.8	169	-4	110.5	K684 M688	K684-R686 PolarHBondContact O-N 2.97Å; K684-R686 VanDerWaalsContact O-N 3.11Å; R686-M688 PolarHBondContact O-N 3.44Å
687	F	58.1	Low	65.7	Low	138 Å²	138	106 Å²	106	61%	0.605	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	35	-177.9	-43.5	-79.7	0	0	0	115.4	R671 A692 I696	R671-F687 PolarHBondContact NH1-O 3.29Å; R671-F687 PolarHBondContact NH2-O 3.09Å; F687-A692 HydrophobicContact CB-CB 4.35Å; F687-A692 HydrophobicContact CD1-CB 4.36Å; F687-I696 HydrophobicContact CB-CD1 4.42Å
688	M	61.7	Low	67.3	Low	44 Å²	44	103.9 Å²	103.9	22%	0.217	53%	0.529	C	S	.	.			trans	-93.7	-17.1	167.2	-79	-68.7	107.3	0	0	114.1	R668 R671 I672 P685 R686 Q693	R668-M688 HydrophobicContact CG-SD 4.47Å; R671-M688 HydrophobicContact CB-CE 3.7Å; I672-M688 HydrophobicContact CG1-SD 3.96Å; P685-M688 HydrophobicContact CB-CG 3.97Å; P685-M688 HydrophobicContact CG-CG 3.86Å; R686-M688 PolarHBondContact O-N 3.44Å; M688-Q693 PolarHBondContact O-NE2 3.36Å
689	S	73.3	Confident	69.3	Low	71 Å²	71	100.9 Å²	100.9	50%	0.497	52%	0.52	S	S	.	.	S	Bend	trans	-60.4	148.1	178.2	179.9	0	0	0	0	112.4	C691 A692 Q693	S689-C691 VanDerWaalsContact C-N 3.32Å; S689-C691 PolarHBondContact O-N 3.2Å; S689-A692 PolarHBondContact O-N 3.16Å; S689-Q693 WeakPolarHBondContact O-CG 3.37Å; S689-Q693 PolarHBondContact O-N 3.46Å; S689-Q693 VanDerWaalsContact O-N 3.1Å
690	A	70.9	Confident	71.7	Confident	58 Å²	58	92.3 Å²	92.3	48%	0.479	48%	0.484	S	S	.	.	H	α-helix	trans	-59.1	-41.6	176.4	0	0	0	0	0	112.2	A692 Q693 L694	A690-A692 VanDerWaalsContact C-N 3.29Å; A690-A692 PolarHBondContact O-N 3.17Å; A690-Q693 WeakPolarHBondContact O-CB 3.2Å; A690-Q693 PolarHBondContact O-N 3.23Å; A690-Q693 VanDerWaalsContact O-N 3.09Å; A690-L694 PolarHBondContact O-N 3.41Å
691	C	79.6	Confident	73.8	Confident	88 Å²	88	86.9 Å²	86.9	60%	0.595	46%	0.456	S	S	*	.	H	α-helix	trans	-63.2	-37	177.6	-43.6	0	0	0	0	111.8	S689 Q693 L694 V695	S689-C691 VanDerWaalsContact C-N 3.32Å; S689-C691 PolarHBondContact O-N 3.2Å; C691-Q693 VanDerWaalsContact C-N 3.33Å; C691-Q693 PolarHBondContact O-N 3.3Å; C691-L694 PolarHBondContact O-N 3.29Å; C691-V695 WeakPolarHBondContact O-CG2 3.45Å; C691-V695 PolarHBondContact O-N 3.05Å
692	A	80.8	Confident	76.1	Confident	22 Å²	22	84.9 Å²	84.9	18%	0.182	44%	0.443	C	S	.	.	H	α-helix	trans	-69.8	-29.6	175.7	0	0	0	0	0	112.6	F687 S689 A690 I696	F687-A692 HydrophobicContact CB-CB 4.35Å; F687-A692 HydrophobicContact CD1-CB 4.36Å; S689-A692 PolarHBondContact O-N 3.16Å; A690-A692 VanDerWaalsContact C-N 3.29Å; A690-A692 PolarHBondContact O-N 3.17Å; A692-I696 WeakPolarHBondContact O-CD1 3.15Å; A692-I696 VanDerWaalsContact O-CG1 3.25Å; A692-I696 WeakPolarHBondContact O-CG1 3.43Å; A692-I696 PolarHBondContact O-N 2.93Å
693	Q	82.4	Confident	78.2	Confident	7 Å²	7	82.2 Å²	82.2	3%	0.033	42%	0.423	C	S	.	.	H	α-helix	trans	-68.3	-43.3	172.2	-65.9	165.2	42.6	0	0	110.8	S614 L617 T664 M688 S689 A690 C691 I696 A697	S614-Q693 PolarHBondContact OG-OE1 3.31Å; L617-Q693 HydrophobicContact CD1-CB 4.32Å; T664-Q693 HydrophobicContact CG2-CB 3.92Å; T664-Q693 HydrophobicContact CG2-CG 4.43Å; T664-Q693 WeakPolarHBondContact CG2-O 3.11Å; M688-Q693 PolarHBondContact O-NE2 3.36Å; S689-Q693 WeakPolarHBondContact O-CG 3.37Å; S689-Q693 PolarHBondContact O-N 3.46Å; S689-Q693 VanDerWaalsContact O-N 3.1Å; A690-Q693 WeakPolarHBondContact O-CB 3.2Å; A690-Q693 PolarHBondContact O-N 3.23Å; A690-Q693 VanDerWaalsContact O-N 3.09Å; C691-Q693 VanDerWaalsContact C-N 3.33Å; C691-Q693 PolarHBondContact O-N 3.3Å; Q693-I696 PolarHBondContact O-N 2.82Å; Q693-A697 PolarHBondContact O-N 3.02Å
694	L	87.4	Confident	80.3	Confident	63 Å²	63	73.6 Å²	73.6	33%	0.33	39%	0.385	S	S	.	.	H	α-helix	trans	-60.6	-45.3	176	-76.4	173.8	0	0	0	112.5	E616 L617 I620 A690 C691 I696 A697 F698	E616-L694 HydrophobicContact CB-CD1 4.14Å; E616-L694 HydrophobicContact CB-CD2 3.82Å; E616-L694 HydrophobicContact CB-CG 4.28Å; E616-L694 HydrophobicContact CG-CD1 4.23Å; L617-L694 HydrophobicContact CD2-CD2 4.39Å; I620-L694 HydrophobicContact CD1-CD2 3.61Å; A690-L694 PolarHBondContact O-N 3.41Å; C691-L694 PolarHBondContact O-N 3.29Å; L694-I696 VanDerWaalsContact C-N 3.34Å; L694-I696 PolarHBondContact O-N 3.08Å; L694-A697 PolarHBondContact O-N 3.27Å; L694-F698 VanDerWaalsContact O-CB 3.3Å; L694-F698 WeakPolarHBondContact O-CB 3.48Å; L694-F698 PolarHBondContact O-N 2.72Å
695	V	89.4	Confident	82.3	Confident	83 Å²	83	67.4 Å²	67.4	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-60.8	-41.1	176.8	172.7	0	0	0	0	111.8	C691 F698 I699	C691-V695 WeakPolarHBondContact O-CG2 3.45Å; C691-V695 PolarHBondContact O-N 3.05Å; V695-F698 PolarHBondContact O-N 3.29Å; V695-I699 HydrophobicContact CG1-CD1 3.76Å; V695-I699 HydrophobicContact CG1-CG1 4.42Å; V695-I699 VanDerWaalsContact O-CG1 3.26Å; V695-I699 WeakPolarHBondContact O-CG1 3.36Å; V695-I699 PolarHBondContact O-N 2.92Å
696	I	88.1	Confident	84.1	Confident	51 Å²	51	64.8 Å²	64.8	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-46.3	176.8	-68.7	164.6	0	0	0	111.3	T664 F687 A692 Q693 L694 F698 I699 L700	T664-I696 HydrophobicContact CG2-CB 4.44Å; T664-I696 HydrophobicContact CG2-CG2 4.35Å; F687-I696 HydrophobicContact CB-CD1 4.42Å; A692-I696 WeakPolarHBondContact O-CD1 3.15Å; A692-I696 VanDerWaalsContact O-CG1 3.25Å; A692-I696 WeakPolarHBondContact O-CG1 3.43Å; A692-I696 PolarHBondContact O-N 2.93Å; Q693-I696 PolarHBondContact O-N 2.82Å; L694-I696 VanDerWaalsContact C-N 3.34Å; L694-I696 PolarHBondContact O-N 3.08Å; I696-F698 PolarHBondContact O-N 3.37Å; I696-I699 PolarHBondContact O-N 2.74Å; I696-L700 HydrophobicContact CG2-CD1 4.43Å; I696-L700 WeakPolarHBondContact O-CG 3.34Å; I696-L700 PolarHBondContact O-N 3.16Å
697	A	90.1	Very high	85.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-40.7	177.9	0	0	0	0	0	111.9	L617 T664 Q693 L694 L700 I701	L617-A697 HydrophobicContact CD2-CB 3.98Å; T664-A697 HydrophobicContact CG2-CB 4.45Å; Q693-A697 PolarHBondContact O-N 3.02Å; L694-A697 PolarHBondContact O-N 3.27Å; A697-L700 PolarHBondContact O-N 2.75Å; A697-I701 VanDerWaalsContact O-CG1 3.32Å; A697-I701 WeakPolarHBondContact O-CG1 3.31Å; A697-I701 PolarHBondContact O-N 2.74Å; A697-I701 VanDerWaalsContact O-N 3.12Å
698	F	91.8	Very high	87.4	Confident	134 Å²	134	50.4 Å²	50.4	59%	0.588	30%	0.297	S	S	*	.	H	α-helix	trans	-64.1	-43.1	177.7	-176.1	-104.9	0	0	0	112.3	L694 V695 I696 L700 I701 C702	L694-F698 VanDerWaalsContact O-CB 3.3Å; L694-F698 WeakPolarHBondContact O-CB 3.48Å; L694-F698 PolarHBondContact O-N 2.72Å; V695-F698 PolarHBondContact O-N 3.29Å; I696-F698 PolarHBondContact O-N 3.37Å; F698-L700 VanDerWaalsContact C-N 3.33Å; F698-L700 PolarHBondContact O-N 2.82Å; F698-I701 PolarHBondContact O-N 2.72Å; F698-C702 VanDerWaalsContact CE1-SG 3.53Å; F698-C702 VanDerWaalsContact CZ-SG 3.59Å; F698-C702 PolarHBondContact O-N 3.37Å; F698-C702 PolarHBondContact O-SG 2.78Å
699	I	93.4	Very high	88.9	Confident	91 Å²	91	51.7 Å²	51.7	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.5	-71.7	165.3	0	0	0	111.4	V695 I696 I701 C702 I703	V695-I699 HydrophobicContact CG1-CD1 3.76Å; V695-I699 HydrophobicContact CG1-CG1 4.42Å; V695-I699 VanDerWaalsContact O-CG1 3.26Å; V695-I699 WeakPolarHBondContact O-CG1 3.36Å; V695-I699 PolarHBondContact O-N 2.92Å; I696-I699 PolarHBondContact O-N 2.74Å; I699-I701 VanDerWaalsContact C-N 3.35Å; I699-I701 PolarHBondContact O-N 3.18Å; I699-C702 PolarHBondContact O-N 3.11Å; I699-I703 HydrophobicContact CG2-CD1 4.22Å; I699-I703 WeakPolarHBondContact O-CG1 3.44Å; I699-I703 PolarHBondContact O-N 2.87Å
700	L	93.3	Very high	89.8	Confident	38 Å²	38	50.6 Å²	50.6	20%	0.199	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-37.7	177.8	-65.9	170.3	0	0	0	112.3	S660 V663 I696 A697 F698 I703 Q704 Y746	S660-L700 VanDerWaalsContact OG-CB 3.29Å; S660-L700 WeakPolarHBondContact OG-CB 3.42Å; V663-L700 HydrophobicContact CG1-CD1 3.58Å; I696-L700 HydrophobicContact CG2-CD1 4.43Å; I696-L700 WeakPolarHBondContact O-CG 3.34Å; I696-L700 PolarHBondContact O-N 3.16Å; A697-L700 PolarHBondContact O-N 2.75Å; F698-L700 VanDerWaalsContact C-N 3.33Å; F698-L700 PolarHBondContact O-N 2.82Å; L700-I703 PolarHBondContact O-N 3.43Å; L700-Q704 PolarHBondContact O-N 2.75Å; L700-Y746 PolarHBondContact O-OH 2.71Å
701	I	95	Very high	90.8	Very high	24 Å²	24	48.4 Å²	48.4	12%	0.123	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-43.4	173.2	-67	165.3	0	0	0	110.9	I620 L653 M657 A697 F698 I699 I703 Q704 L705	I620-I701 HydrophobicContact CG2-CD1 4.13Å; L653-I701 HydrophobicContact CD1-CG2 4.06Å; M657-I701 HydrophobicContact CB-CD1 4.36Å; M657-I701 HydrophobicContact CG-CD1 4.06Å; M657-I701 HydrophobicContact CG-CG1 4.14Å; M657-I701 HydrophobicContact CG-CG2 4.12Å; A697-I701 VanDerWaalsContact O-CG1 3.32Å; A697-I701 WeakPolarHBondContact O-CG1 3.31Å; A697-I701 PolarHBondContact O-N 2.74Å; A697-I701 VanDerWaalsContact O-N 3.12Å; F698-I701 PolarHBondContact O-N 2.72Å; I699-I701 VanDerWaalsContact C-N 3.35Å; I699-I701 PolarHBondContact O-N 3.18Å; I701-I703 VanDerWaalsContact C-N 3.29Å; I701-I703 PolarHBondContact O-N 2.73Å; I701-Q704 PolarHBondContact O-N 3.08Å; I701-L705 PolarHBondContact O-N 3.21Å
702	C	94.4	Very high	91.3	Very high	48 Å²	48	46 Å²	46	32%	0.324	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-30.4	178	-69.1	0	0	0	0	113.3	F698 I699 L705 G706	F698-C702 VanDerWaalsContact CE1-SG 3.53Å; F698-C702 VanDerWaalsContact CZ-SG 3.59Å; F698-C702 PolarHBondContact O-N 3.37Å; F698-C702 PolarHBondContact O-SG 2.78Å; I699-C702 PolarHBondContact O-N 3.11Å; C702-L705 PolarHBondContact O-N 3.27Å; C702-G706 PolarHBondContact O-N 3.46Å
703	I	95	Very high	91.8	Very high	76 Å²	76	51.4 Å²	51.4	39%	0.39	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-49	173.5	-70.1	163.9	0	0	0	110.3	I699 L700 I701 L705 G706 I707 Y746	I699-I703 HydrophobicContact CG2-CD1 4.22Å; I699-I703 WeakPolarHBondContact O-CG1 3.44Å; I699-I703 PolarHBondContact O-N 2.87Å; L700-I703 PolarHBondContact O-N 3.43Å; I701-I703 VanDerWaalsContact C-N 3.29Å; I701-I703 PolarHBondContact O-N 2.73Å; I703-L705 VanDerWaalsContact C-N 3.34Å; I703-L705 PolarHBondContact O-N 3.13Å; I703-G706 PolarHBondContact O-N 3.02Å; I703-I707 HydrophobicContact CG2-CD1 4.06Å; I703-I707 WeakPolarHBondContact O-CG1 3.33Å; I703-I707 PolarHBondContact O-N 3.24Å; I703-Y746 HydrophobicContact CB-CE2 4.44Å; I703-Y746 HydrophobicContact CG2-CD2 4.28Å; I703-Y746 HydrophobicContact CG2-CE2 3.56Å
704	Q	94.3	Very high	92.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-41	175.7	-175.7	75.6	-39.6	0	0	111.8	G652 A656 L700 I701 G706 I707 I708 P743 Y746 N747	G652-Q704 PolarHBondContact O-NE2 2.96Å; A656-Q704 HydrophobicContact CB-CB 3.76Å; A656-Q704 HydrophobicContact CB-CG 3.57Å; L700-Q704 PolarHBondContact O-N 2.75Å; I701-Q704 PolarHBondContact O-N 3.08Å; Q704-G706 VanDerWaalsContact C-N 3.33Å; Q704-G706 PolarHBondContact O-N 3.01Å; Q704-I707 PolarHBondContact O-N 2.81Å; Q704-I708 HydrophobicContact CG-CD1 3.91Å; Q704-I708 HydrophobicContact CG-CG1 4.47Å; Q704-I708 WeakPolarHBondContact O-CG1 3.5Å; Q704-I708 PolarHBondContact O-N 3.42Å; Q704-P743 PolarHBondContact NE2-O 3.25Å; Q704-Y746 HydrophobicContact CB-CD1 3.85Å; Q704-Y746 HydrophobicContact CB-CE1 3.89Å; Q704-Y746 HydrophobicContact CG-CD1 4.27Å; Q704-Y746 VanDerWaalsContact OE1-CD1 3.3Å; Q704-N747 PolarHBondContact NE2-ND2 3.35Å
705	L	94.1	Very high	92.1	Very high	69 Å²	69	56.7 Å²	56.7	36%	0.361	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-42.3	177.6	-176	61.5	0	0	0	111.6	I701 C702 I703 I708 V709	I701-L705 PolarHBondContact O-N 3.21Å; C702-L705 PolarHBondContact O-N 3.27Å; I703-L705 VanDerWaalsContact C-N 3.34Å; I703-L705 PolarHBondContact O-N 3.13Å; L705-I708 PolarHBondContact O-N 3.42Å; L705-V709 HydrophobicContact CD1-CG2 4.47Å; L705-V709 WeakPolarHBondContact O-CG2 3.5Å; L705-V709 PolarHBondContact O-N 2.77Å
706	G	94.6	Very high	92	Very high	42 Å²	42	56.5 Å²	56.5	43%	0.433	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-40.2	174.8	0	0	0	0	0	113.2	C702 I703 Q704 V709 A710	C702-G706 PolarHBondContact O-N 3.46Å; I703-G706 PolarHBondContact O-N 3.02Å; Q704-G706 VanDerWaalsContact C-N 3.33Å; Q704-G706 PolarHBondContact O-N 3.01Å; G706-V709 PolarHBondContact O-N 2.75Å; G706-A710 WeakPolarHBondContact O-CB 3.49Å; G706-A710 PolarHBondContact O-N 2.92Å
707	I	94	Very high	91.9	Very high	46 Å²	46	54.2 Å²	54.2	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-47.4	173.6	-69.2	165.2	0	0	0	110.7	I703 Q704 A710 L711 T742 Y746	I703-I707 HydrophobicContact CG2-CD1 4.06Å; I703-I707 WeakPolarHBondContact O-CG1 3.33Å; I703-I707 PolarHBondContact O-N 3.24Å; Q704-I707 PolarHBondContact O-N 2.81Å; I707-A710 PolarHBondContact O-N 3.34Å; I707-L711 HydrophobicContact CG2-CD1 4Å; I707-L711 WeakPolarHBondContact O-CB 3.35Å; I707-L711 VanDerWaalsContact O-CG 3.29Å; I707-L711 WeakPolarHBondContact O-CG 3.4Å; I707-L711 PolarHBondContact O-N 2.93Å; I707-T742 HydrophobicContact CG2-CG2 3.68Å; I707-Y746 HydrophobicContact CD1-CD2 4.1Å; I707-Y746 HydrophobicContact CD1-CG 4.18Å
708	I	92.4	Very high	91.7	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-41.2	179.1	-66.6	167.1	0	0	0	111.4	I649 L653 Q704 L705 L711 F712	I649-I708 HydrophobicContact CB-CG2 4.44Å; I649-I708 HydrophobicContact CG1-CG2 4.36Å; L653-I708 HydrophobicContact CB-CD1 4.23Å; Q704-I708 HydrophobicContact CG-CD1 3.91Å; Q704-I708 HydrophobicContact CG-CG1 4.47Å; Q704-I708 WeakPolarHBondContact O-CG1 3.5Å; Q704-I708 PolarHBondContact O-N 3.42Å; L705-I708 PolarHBondContact O-N 3.42Å; I708-L711 WeakPolarHBondContact O-CB 3.27Å; I708-L711 PolarHBondContact O-N 2.81Å; I708-F712 HydrophobicContact CG2-CD2 3.92Å; I708-F712 HydrophobicContact CG2-CE2 3.48Å; I708-F712 VanDerWaalsContact CG2-CE2 3.48Å; I708-F712 HydrophobicContact CG2-CZ 3.96Å; I708-F712 WeakPolarHBondContact O-CD2 3.37Å; I708-F712 WeakPolarHBondContact O-CG 3.39Å; I708-F712 PolarHBondContact O-N 2.59Å
709	V	93.1	Very high	91.7	Very high	71 Å²	71	54.2 Å²	54.2	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-41.9	177.5	169.9	0	0	0	0	111.7	L705 G706 L711 F712 I713	L705-V709 HydrophobicContact CD1-CG2 4.47Å; L705-V709 WeakPolarHBondContact O-CG2 3.5Å; L705-V709 PolarHBondContact O-N 2.77Å; G706-V709 PolarHBondContact O-N 2.75Å; V709-L711 VanDerWaalsContact C-N 3.32Å; V709-L711 PolarHBondContact O-N 3.02Å; V709-F712 PolarHBondContact O-N 3.31Å; V709-I713 HydrophobicContact CG1-CD1 4.14Å; V709-I713 WeakPolarHBondContact O-CG1 3.45Å; V709-I713 PolarHBondContact O-N 3.43Å; V709-I713 VanDerWaalsContact O-N 3.14Å
710	A	92.5	Very high	91.4	Very high	49 Å²	49	53.9 Å²	53.9	41%	0.405	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-42.1	174.1	0	0	0	0	0	111.8	G706 I707 F712 I713 M714	G706-A710 WeakPolarHBondContact O-CB 3.49Å; G706-A710 PolarHBondContact O-N 2.92Å; I707-A710 PolarHBondContact O-N 3.34Å; A710-F712 VanDerWaalsContact C-N 3.33Å; A710-F712 PolarHBondContact O-N 3.07Å; A710-I713 PolarHBondContact O-N 3.46Å; A710-I713 VanDerWaalsContact O-N 3.16Å; A710-M714 WeakPolarHBondContact O-CG 3.48Å; A710-M714 PolarHBondContact O-N 2.72Å
711	L	90.6	Very high	91.1	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-30.7	175.7	-76.4	171.4	0	0	0	113.8	R648 I707 I708 V709 E715 T742	R648-L711 PolarHBondContact NH1-O 3Å; R648-L711 PolarHBondContact NH2-O 3.05Å; I707-L711 HydrophobicContact CG2-CD1 4Å; I707-L711 WeakPolarHBondContact O-CB 3.35Å; I707-L711 VanDerWaalsContact O-CG 3.29Å; I707-L711 WeakPolarHBondContact O-CG 3.4Å; I707-L711 PolarHBondContact O-N 2.93Å; I708-L711 WeakPolarHBondContact O-CB 3.27Å; I708-L711 PolarHBondContact O-N 2.81Å; V709-L711 VanDerWaalsContact C-N 3.32Å; V709-L711 PolarHBondContact O-N 3.02Å; L711-E715 PolarHBondContact O-N 2.92Å; L711-T742 HydrophobicContact CD1-CG2 3.9Å; L711-T742 HydrophobicContact CD2-CG2 4.47Å
712	F	91.3	Very high	90.7	Very high	36 Å²	36	59.2 Å²	59.2	16%	0.158	33%	0.329	C	S	.	.	H	α-helix	trans	-73.9	-27.7	172.1	-73.9	-42.2	0	0	0	113.4	Y645 R648 I649 I708 V709 A710 P717	Y645-F712 AromaticContact CD1-CD1 3.94Å; Y645-F712 HydrophobicContact CD1-CD1 3.94Å; Y645-F712 AromaticContact CD1-CE1 3.64Å; Y645-F712 HydrophobicContact CD1-CE1 3.64Å; Y645-F712 HydrophobicContact CD1-CE2 4.29Å; Y645-F712 HydrophobicContact CD1-CG 4.39Å; Y645-F712 AromaticContact CD1-CZ 3.83Å; Y645-F712 HydrophobicContact CD1-CZ 3.83Å; Y645-F712 AromaticContact CE1-CD1 3.94Å; Y645-F712 HydrophobicContact CE1-CD1 3.94Å; Y645-F712 HydrophobicContact CE1-CE1 4.13Å; Y645-F712 HydrophobicContact CE1-CG 4.21Å; R648-F712 HydrophobicContact CB-CE1 3.91Å; R648-F712 HydrophobicContact CB-CZ 4.24Å; R648-F712 HydrophobicContact CG-CE1 4.1Å; I649-F712 HydrophobicContact CB-CE2 4.35Å; I649-F712 HydrophobicContact CB-CZ 4.16Å; I708-F712 HydrophobicContact CG2-CD2 3.92Å; I708-F712 HydrophobicContact CG2-CE2 3.48Å; I708-F712 VanDerWaalsContact CG2-CE2 3.48Å; I708-F712 HydrophobicContact CG2-CZ 3.96Å; I708-F712 WeakPolarHBondContact O-CD2 3.37Å; I708-F712 WeakPolarHBondContact O-CG 3.39Å; I708-F712 PolarHBondContact O-N 2.59Å; V709-F712 PolarHBondContact O-N 3.31Å; A710-F712 VanDerWaalsContact C-N 3.33Å; A710-F712 PolarHBondContact O-N 3.07Å; F712-P717 HydrophobicContact CD1-CG 3.94Å; F712-P717 HydrophobicContact CE1-CG 3.88Å
713	I	90.6	Very high	90.4	Very high	137 Å²	137	61.5 Å²	61.5	70%	0.703	33%	0.332	S	S	*	.	H	α-helix	trans	-77	-38.1	175.9	-66.1	164.6	0	0	0	110.7	V709 A710	V709-I713 HydrophobicContact CG1-CD1 4.14Å; V709-I713 WeakPolarHBondContact O-CG1 3.45Å; V709-I713 PolarHBondContact O-N 3.43Å; V709-I713 VanDerWaalsContact O-N 3.14Å; A710-I713 PolarHBondContact O-N 3.46Å; A710-I713 VanDerWaalsContact O-N 3.16Å
714	M	89.1	Confident	89.9	Confident	141 Å²	141	61.8 Å²	61.8	70%	0.695	34%	0.338	S	S	*	.	H	α-helix	trans	-76.5	-37.4	177.5	-67.3	179.3	67.1	0	0	113.2	A710	A710-M714 WeakPolarHBondContact O-CG 3.48Å; A710-M714 PolarHBondContact O-N 2.72Å
715	E	87	Confident	89.4	Confident	39 Å²	39	64.1 Å²	64.1	18%	0.182	35%	0.354	C	S	.	.	S	Bend	trans	-133.9	94.6	-176.4	-62.2	174.9	154.9	0	0	108.7	R648 L711 T736	R648-E715 IonicContact CZ-OE2 2.77Å; R648-E715 PolarHBondContact NH1-O 2.83Å; R648-E715 IonicContact NH2-OE2 3.02Å; R648-E715 PolarHBondContact NH2-OE2 3.07Å; L711-E715 PolarHBondContact O-N 2.92Å; E715-T736 WeakPolarHBondContact OE1-CB 3.4Å; E715-T736 WeakPolarHBondContact OE1-CG2 3.46Å; E715-T736 PolarHBondContact OE1-OG1 2.69Å; E715-T736 PolarHBondContact OE2-OG1 2.87Å
716	P	87.3	Confident	88.9	Confident	80 Å²	80	65 Å²	65	52%	0.519	36%	0.359	S	S	.	.			trans	-65.2	128.5	173.8	25.8	-32.9	0	0	0	110.1	D718	P716-D718 PolarHBondContact O-N 3.04Å
717	P	85.9	Confident	88.3	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.019	36%	0.362	C	S	.	.			trans	-77.4	94	-177.8	32	-34.9	0	0	0	110.7	C644 Y645 F712	C644-P717 HydrophobicContact CB-CB 4.06Å; Y645-P717 HydrophobicContact CD1-CG 3.41Å; Y645-P717 VanDerWaalsContact CD1-CG 3.41Å; Y645-P717 HydrophobicContact CD2-CG 3.75Å; Y645-P717 HydrophobicContact CE1-CG 3.42Å; Y645-P717 VanDerWaalsContact CE1-CG 3.42Å; Y645-P717 HydrophobicContact CE2-CG 3.75Å; Y645-P717 HydrophobicContact CG-CG 3.57Å; F712-P717 HydrophobicContact CD1-CG 3.94Å; F712-P717 HydrophobicContact CE1-CG 3.88Å
718	D	86.7	Confident	87.9	Confident	73 Å²	73	70.6 Å²	70.6	39%	0.39	37%	0.367	S	S	.	.			trans	-99.5	-178.7	178.5	-151	4.3	0	0	0	112.9	Q641 P716 C733 N734	Q641-D718 PolarHBondContact NE2-OD1 3.08Å; P716-D718 PolarHBondContact O-N 3.04Å; D718-C733 CarbonylContact O-C 3.52Å; D718-C733 WeakPolarHBondContact O-CA 3.16Å; D718-N734 PolarHBondContact O-N 2.92Å
719	I	90.9	Very high	87.8	Confident	61 Å²	61	70.6 Å²	70.6	31%	0.313	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.5	175.2	-41.4	169.9	0	0	0	109.2	P639 L731	P639-I719 HydrophobicContact CB-CG2 4.23Å; I719-L731 HydrophobicContact CG2-CD1 3.5Å; I719-L731 HydrophobicContact CG2-CD2 4.45Å; I719-L731 HydrophobicContact CG2-CG 3.84Å
720	M	86.6	Confident	87.6	Confident	84 Å²	84	71 Å²	71	41%	0.414	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.1	176.6	-58.8	-166.3	-48.3	0	0	111.4	I732 N734	M720-I732 PolarHBondContact N-O 3.38Å; M720-I732 WeakPolarHBondContact O-CG1 3.48Å; M720-I732 PolarHBondContact O-N 3.14Å; M720-N734 HydrophobicContact CE-CB 4.01Å; M720-N734 HydrophobicContact CG-CB 4.17Å; M720-N734 HydrophobicContact SD-CB 4.1Å
721	H	88.9	Confident	87.5	Confident	97 Å²	97	69.8 Å²	69.8	45%	0.449	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.8	168.7	-60	130.2	0	0	0	109.6	Y723 V729 Y730 L731	H721-Y723 HydrophobicContact CB-CE1 4.24Å; H721-Y723 HydrophobicContact CB-CE2 3.87Å; H721-Y723 WeakPolarHBondContact CB-OH 3.3Å; H721-V729 HydrophobicContact CB-CG1 3.95Å; H721-Y730 CarbonylContact C-O 3.59Å; H721-Y730 WeakPolarHBondContact CA-O 3.42Å; H721-L731 VanDerWaalsContact CD2-CD1 3.49Å; H721-L731 WeakPolarHBondContact CD2-CD1 3.47Å; H721-L731 WeakPolarHBondContact NE2-CD1 3.38Å
722	D	86.6	Confident	87.4	Confident	77 Å²	77	72.2 Å²	72.2	41%	0.412	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.3	173.2	-168.7	8.6	0	0	0	109.3	P724 V729 Y730 I732	D722-P724 VanDerWaalsContact C-CD 3.47Å; D722-P724 WeakPolarHBondContact O-CD 3.3Å; D722-V729 WeakPolarHBondContact O-CA 3.38Å; D722-Y730 PolarHBondContact N-O 2.94Å; D722-Y730 PolarHBondContact O-N 3.03Å; D722-I732 HydrophobicContact CB-CD1 3.86Å; D722-I732 HydrophobicContact CB-CG1 4.18Å
723	Y	87.8	Confident	87.3	Confident	96 Å²	96	71 Å²	71	38%	0.376	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	69.5	-168.1	-60.9	-73.5	0	0	0	111	H721 S725 V729	H721-Y723 HydrophobicContact CB-CE1 4.24Å; H721-Y723 HydrophobicContact CB-CE2 3.87Å; H721-Y723 WeakPolarHBondContact CB-OH 3.3Å; Y723-S725 PolarHBondContact O-N 3.11Å; Y723-V729 HydrophobicContact CD1-CB 4.33Å; Y723-V729 HydrophobicContact CD1-CG1 4Å; Y723-V729 HydrophobicContact CD1-CG2 3.84Å; Y723-V729 HydrophobicContact CE1-CB 4.19Å; Y723-V729 HydrophobicContact CE1-CG1 3.53Å; Y723-V729 HydrophobicContact CE1-CG2 3.7Å
724	P	84.9	Confident	87.1	Confident	81 Å²	81	66.8 Å²	66.8	53%	0.526	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-17.5	-179.4	29.1	-35.1	0	0	0	113.4	D722 E728 Y730	D722-P724 VanDerWaalsContact C-CD 3.47Å; D722-P724 WeakPolarHBondContact O-CD 3.3Å; P724-E728 HydrophobicContact CG-CB 4.29Å; P724-Y730 HydrophobicContact CG-CD2 3.62Å; P724-Y730 HydrophobicContact CG-CE2 3.48Å; P724-Y730 VanDerWaalsContact CG-CE2 3.48Å
725	S	83	Confident	86.9	Confident	49 Å²	49	63 Å²	63	34%	0.343	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	167.4	169.8	85.4	0	0	0	0	111	Y723 R727 E728	Y723-S725 PolarHBondContact O-N 3.11Å; S725-R727 PolarHBondContact O-N 2.78Å; S725-R727 PolarHBondContact OG-N 3.49Å; S725-R727 VanDerWaalsContact OG-N 3.16Å; S725-E728 PolarHBondContact O-N 3.19Å; S725-E728 PolarHBondContact OG-N 3.49Å
726	I	83.2	Confident	86.8	Confident	89 Å²	89	63.1 Å²	63.1	46%	0.456	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.1	174.1	58.4	174	0	0	0	114	N540 W557 I568	N540-I726 HydrophobicContact CB-CD1 4.36Å; W557-I726 HydrophobicContact CZ3-CD1 4.04Å; W557-I726 HydrophobicContact CZ3-CG1 4.19Å; I568-I726 WeakPolarHBondContact CD1-O 3.45Å
727	R	82.4	Confident	86.7	Confident	132 Å²	132	64.5 Å²	64.5	50%	0.498	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-3.4	179.4	-70.7	176.8	-179.7	-98.1	12.3	113.3	E539 W557 S725	E539-R727 IonicContact OE2-CZ 2.66Å; E539-R727 IonicContact OE2-NE 2.63Å; E539-R727 IonicContact OE2-NH2 3.58Å; E539-R727 PolarHBondContact OE2-NH2 2.91Å; W557-R727 HydrophobicContact CE3-CG 3.85Å; W557-R727 HydrophobicContact CH2-CG 3.99Å; W557-R727 VanDerWaalsContact CZ2-NH2 3.26Å; W557-R727 HydrophobicContact CZ3-CG 3.52Å; S725-R727 PolarHBondContact O-N 2.78Å; S725-R727 PolarHBondContact OG-N 3.49Å; S725-R727 VanDerWaalsContact OG-N 3.16Å
728	E	85.6	Confident	86.8	Confident	72 Å²	72	68.6 Å²	68.6	34%	0.336	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.8	-176.3	-69.4	-179.6	-146.7	0	0	111.9	P724 S725 Y730	P724-E728 HydrophobicContact CG-CB 4.29Å; S725-E728 PolarHBondContact O-N 3.19Å; S725-E728 PolarHBondContact OG-N 3.49Å; E728-Y730 HydrophobicContact CB-CE2 3.87Å; E728-Y730 WeakPolarHBondContact OE2-CE2 3.36Å; E728-Y730 VanDerWaalsContact OE2-CZ 3.32Å; E728-Y730 PolarHBondContact OE2-OH 3.36Å
729	V	90	Very high	86.7	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.9	174.6	-172	0	0	0	0	108.5	I568 V570 Q571 H721 D722 Y723	I568-V729 HydrophobicContact CB-CG2 3.79Å; I568-V729 HydrophobicContact CD1-CG2 4.34Å; I568-V729 HydrophobicContact CG2-CG2 3.87Å; V570-V729 WeakPolarHBondContact CA-O 3.33Å; V570-V729 HydrophobicContact CG1-CB 4.43Å; V570-V729 HydrophobicContact CG1-CG1 3.9Å; Q571-V729 PolarHBondContact N-O 2.7Å; H721-V729 HydrophobicContact CB-CG1 3.95Å; D722-V729 WeakPolarHBondContact O-CA 3.38Å; Y723-V729 HydrophobicContact CD1-CB 4.33Å; Y723-V729 HydrophobicContact CD1-CG1 4Å; Y723-V729 HydrophobicContact CD1-CG2 3.84Å; Y723-V729 HydrophobicContact CE1-CB 4.19Å; Y723-V729 HydrophobicContact CE1-CG1 3.53Å; Y723-V729 HydrophobicContact CE1-CG2 3.7Å
730	Y	88.7	Confident	86.5	Confident	79 Å²	79	63 Å²	63	31%	0.31	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.1	176.2	-66.5	-95.3	0	0	0	111.1	Q571 H721 D722 P724 E728	Q571-Y730 HydrophobicContact CB-CD1 3.85Å; Q571-Y730 HydrophobicContact CB-CE1 3.96Å; Q571-Y730 HydrophobicContact CB-CG 4.43Å; Q571-Y730 CarbonylContact O-C 3.1Å; Q571-Y730 WeakPolarHBondContact O-CA 3.4Å; H721-Y730 CarbonylContact C-O 3.59Å; H721-Y730 WeakPolarHBondContact CA-O 3.42Å; D722-Y730 PolarHBondContact N-O 2.94Å; D722-Y730 PolarHBondContact O-N 3.03Å; P724-Y730 HydrophobicContact CG-CD2 3.62Å; P724-Y730 HydrophobicContact CG-CE2 3.48Å; P724-Y730 VanDerWaalsContact CG-CE2 3.48Å; E728-Y730 HydrophobicContact CB-CE2 3.87Å; E728-Y730 WeakPolarHBondContact OE2-CE2 3.36Å; E728-Y730 VanDerWaalsContact OE2-CZ 3.32Å; E728-Y730 PolarHBondContact OE2-OH 3.36Å
731	L	89.8	Confident	86.6	Confident	23 Å²	23	62.3 Å²	62.3	12%	0.12	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.1	171.6	-167.5	72.9	0	0	0	109.2	V570 Q571 K638 P639 I719 H721	V570-L731 HydrophobicContact CB-CB 4.3Å; V570-L731 HydrophobicContact CG2-CB 4.29Å; V570-L731 HydrophobicContact CG2-CD2 4.5Å; Q571-L731 PolarHBondContact O-N 3.13Å; K638-L731 HydrophobicContact CG-CD2 4.29Å; P639-L731 HydrophobicContact CB-CD2 4.25Å; P639-L731 HydrophobicContact CB-CG 4.22Å; I719-L731 HydrophobicContact CG2-CD1 3.5Å; I719-L731 HydrophobicContact CG2-CD2 4.45Å; I719-L731 HydrophobicContact CG2-CG 3.84Å; H721-L731 VanDerWaalsContact CD2-CD1 3.49Å; H721-L731 WeakPolarHBondContact CD2-CD1 3.47Å; H721-L731 WeakPolarHBondContact NE2-CD1 3.38Å
732	I	89.5	Confident	86.6	Confident	64 Å²	64	60 Å²	60	33%	0.328	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	160.3	-177.7	62.7	164.7	0	0	0	112.4	M720 D722	M720-I732 PolarHBondContact N-O 3.38Å; M720-I732 WeakPolarHBondContact O-CG1 3.48Å; M720-I732 PolarHBondContact O-N 3.14Å; D722-I732 HydrophobicContact CB-CD1 3.86Å; D722-I732 HydrophobicContact CB-CG1 4.18Å
733	C	89.1	Confident	86.8	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.074	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.6	167.8	-68.2	0	0	0	0	110.3	C644 D718 T735	C644-C733 WeakPolarHBondContact CA-SG 3.45Å; C644-C733 HydrophobicContact CB-CB 3.62Å; C644-C733 WeakPolarHBondContact CB-SG 3.28Å; C644-C733 WeakPolarHBondContact SG-CB 3.14Å; C644-C733 CovalentContact SG-SG 2.04Å; C644-C733 PolarHBondContact SG-SG 3.26Å; D718-C733 CarbonylContact O-C 3.52Å; D718-C733 WeakPolarHBondContact O-CA 3.16Å; C733-T735 WeakPolarHBondContact O-CB 3.35Å; C733-T735 PolarHBondContact O-N 2.94Å; C733-T735 PolarHBondContact O-OG1 2.85Å
734	N	87.1	Confident	86.7	Confident	48 Å²	48	53.5 Å²	53.5	26%	0.257	29%	0.285	S	S	.	.			trans	-62.2	100.8	174.9	-172	0.3	0	0	0	110.6	D718 M720	D718-N734 PolarHBondContact O-N 2.92Å; M720-N734 HydrophobicContact CE-CB 4.01Å; M720-N734 HydrophobicContact CG-CB 4.17Å; M720-N734 HydrophobicContact SD-CB 4.1Å
735	T	83.1	Confident	87	Confident	60 Å²	60	51.5 Å²	51.5	37%	0.368	28%	0.279	S	S	.	.			trans	-134.4	85.8	-167.1	-52.1	0	0	0	0	108.9	C733 V740	C733-T735 WeakPolarHBondContact O-CB 3.35Å; C733-T735 PolarHBondContact O-N 2.94Å; C733-T735 PolarHBondContact O-OG1 2.85Å; T735-V740 HydrophobicContact CG2-CG2 3.55Å
736	T	85.8	Confident	87.5	Confident	43 Å²	43	50.8 Å²	50.8	26%	0.264	27%	0.269	S	S	.	.			trans	-68.5	158.1	179.4	77.5	0	0	0	0	111.2	E715 L738 G739 V740	E715-T736 WeakPolarHBondContact OE1-CB 3.4Å; E715-T736 WeakPolarHBondContact OE1-CG2 3.46Å; E715-T736 PolarHBondContact OE1-OG1 2.69Å; E715-T736 PolarHBondContact OE2-OG1 2.87Å; T736-L738 PolarHBondContact O-N 3.04Å; T736-L738 PolarHBondContact OG1-N 2.96Å; T736-G739 PolarHBondContact O-N 3.35Å; T736-G739 VanDerWaalsContact O-N 3.12Å; T736-G739 PolarHBondContact OG1-N 2.8Å; T736-V740 PolarHBondContact O-N 3.05Å
737	N	86.1	Confident	87.9	Confident	108 Å²	108	46.6 Å²	46.6	58%	0.578	25%	0.247	S	C	*	.	H	α-helix	trans	-57.6	-35.6	173.7	-66.1	-31.1	0	0	0	111.5	V740 V741 F793	N737-V740 PolarHBondContact O-N 3.04Å; N737-V741 WeakPolarHBondContact O-CB 3.49Å; N737-V741 VanDerWaalsContact O-CG2 3.24Å; N737-V741 WeakPolarHBondContact O-CG2 3.33Å; N737-V741 PolarHBondContact O-N 3.45Å; N737-F793 HydrophobicContact CB-CE1 4.47Å
738	L	86.5	Confident	88.3	Confident	89 Å²	89	41.7 Å²	41.7	47%	0.466	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-44.6	175.7	-176.4	67.3	0	0	0	111.7	T736 V740 V741 T742	T736-L738 PolarHBondContact O-N 3.04Å; T736-L738 PolarHBondContact OG1-N 2.96Å; L738-V740 PolarHBondContact O-N 2.76Å; L738-V741 PolarHBondContact O-N 3.03Å; L738-T742 WeakPolarHBondContact CD1-OG1 3.21Å; L738-T742 WeakPolarHBondContact O-CB 3.49Å; L738-T742 PolarHBondContact O-N 3.5Å; L738-T742 PolarHBondContact O-OG1 3.17Å
739	G	85.6	Confident	88.6	Confident	3 Å²	3	43.5 Å²	43.5	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-22.9	178.4	0	0	0	0	0	114.6	T736 P743	T736-G739 PolarHBondContact O-N 3.35Å; T736-G739 VanDerWaalsContact O-N 3.12Å; T736-G739 PolarHBondContact OG1-N 2.8Å; G739-P743 WeakPolarHBondContact O-CD 3.35Å; G739-P743 WeakPolarHBondContact O-CG 3.42Å
740	V	85.9	Confident	88.6	Confident	14 Å²	14	43.7 Å²	43.7	9%	0.085	25%	0.25	C	C	.	.	H	α-helix	trans	-94.2	-47.5	173.9	-177.5	0	0	0	0	111.9	T735 T736 N737 L738 T742 P743 L744 Y792	T735-V740 HydrophobicContact CG2-CG2 3.55Å; T736-V740 PolarHBondContact O-N 3.05Å; N737-V740 PolarHBondContact O-N 3.04Å; L738-V740 PolarHBondContact O-N 2.76Å; V740-T742 PolarHBondContact O-N 2.66Å; V740-P743 WeakPolarHBondContact O-CD 3.18Å; V740-P743 WeakPolarHBondContact O-CG 3.41Å; V740-L744 WeakPolarHBondContact O-CB 3.17Å; V740-L744 PolarHBondContact O-N 3.41Å; V740-Y792 HydrophobicContact CG1-CE1 4.06Å; V740-Y792 HydrophobicContact CG2-CE1 4.43Å
741	V	89	Confident	88.7	Confident	69 Å²	69	40.3 Å²	40.3	42%	0.418	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-36.4	-173.3	171.6	0	0	0	0	112.3	N737 L738 L744 G745 F793	N737-V741 WeakPolarHBondContact O-CB 3.49Å; N737-V741 VanDerWaalsContact O-CG2 3.24Å; N737-V741 WeakPolarHBondContact O-CG2 3.33Å; N737-V741 PolarHBondContact O-N 3.45Å; L738-V741 PolarHBondContact O-N 3.03Å; V741-L744 PolarHBondContact O-N 3.3Å; V741-G745 PolarHBondContact O-N 2.96Å; V741-F793 HydrophobicContact CG2-CE2 4.22Å; V741-F793 HydrophobicContact CG2-CZ 3.71Å
742	T	90.1	Very high	88.7	Confident	49 Å²	49	44.8 Å²	44.8	30%	0.301	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-54.8	-177.7	-59.3	0	0	0	0	113.5	I707 L711 L738 V740 L744 G745 Y746	I707-T742 HydrophobicContact CG2-CG2 3.68Å; L711-T742 HydrophobicContact CD1-CG2 3.9Å; L711-T742 HydrophobicContact CD2-CG2 4.47Å; L738-T742 WeakPolarHBondContact CD1-OG1 3.21Å; L738-T742 WeakPolarHBondContact O-CB 3.49Å; L738-T742 PolarHBondContact O-N 3.5Å; L738-T742 PolarHBondContact O-OG1 3.17Å; V740-T742 PolarHBondContact O-N 2.66Å; T742-L744 VanDerWaalsContact C-N 3.29Å; T742-L744 PolarHBondContact O-N 3.06Å; T742-G745 PolarHBondContact O-N 3.44Å; T742-Y746 PolarHBondContact O-N 3.4Å
743	P	90	Very high	88.7	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.039	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-29.8	176.4	26.7	-34.4	0	0	0	112.7	Q704 G739 V740 N747	Q704-P743 PolarHBondContact NE2-O 3.25Å; G739-P743 WeakPolarHBondContact O-CD 3.35Å; G739-P743 WeakPolarHBondContact O-CG 3.42Å; V740-P743 WeakPolarHBondContact O-CD 3.18Å; V740-P743 WeakPolarHBondContact O-CG 3.41Å; P743-N747 PolarHBondContact O-N 3.16Å; P743-N747 PolarHBondContact O-ND2 3.42Å
744	L	86.3	Confident	88.7	Confident	31 Å²	31	43.7 Å²	43.7	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-41.6	173	-173.7	74.8	0	0	0	111.9	V740 V741 T742 Y746 N747 G748 W785 F788 V789	V740-L744 WeakPolarHBondContact O-CB 3.17Å; V740-L744 PolarHBondContact O-N 3.41Å; V741-L744 PolarHBondContact O-N 3.3Å; T742-L744 VanDerWaalsContact C-N 3.29Å; T742-L744 PolarHBondContact O-N 3.06Å; L744-Y746 PolarHBondContact O-N 2.89Å; L744-N747 CarbonylContact O-C 3.58Å; L744-N747 WeakPolarHBondContact O-CB 3.31Å; L744-N747 PolarHBondContact O-N 2.92Å; L744-G748 PolarHBondContact O-N 2.92Å; L744-W785 HydrophobicContact CD1-CE3 3.52Å; L744-W785 HydrophobicContact CD1-CH2 4.43Å; L744-W785 HydrophobicContact CD1-CZ3 3.39Å; L744-F788 HydrophobicContact CD1-CD1 3.97Å; L744-F788 HydrophobicContact CD1-CE1 3.83Å; L744-F788 HydrophobicContact CD2-CD1 4.17Å; L744-F788 HydrophobicContact CD2-CE1 3.92Å; L744-V789 HydrophobicContact CD2-CG2 4.02Å
745	G	90.9	Very high	88.8	Confident	38 Å²	38	42.5 Å²	42.5	39%	0.392	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-43	178.9	0	0	0	0	0	112.5	V741 T742 G748 L749	V741-G745 PolarHBondContact O-N 2.96Å; T742-G745 PolarHBondContact O-N 3.44Å; G745-G748 PolarHBondContact O-N 3.43Å; G745-L749 WeakPolarHBondContact O-CG 3.46Å; G745-L749 PolarHBondContact O-N 2.7Å
746	Y	93.7	Very high	89.1	Confident	34 Å²	34	45.8 Å²	45.8	13%	0.133	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-42.3	173.5	-172.6	-103.4	0	0	0	112.1	L700 I703 Q704 I707 T742 L744 G748 L749 L750	L700-Y746 PolarHBondContact O-OH 2.71Å; I703-Y746 HydrophobicContact CB-CE2 4.44Å; I703-Y746 HydrophobicContact CG2-CD2 4.28Å; I703-Y746 HydrophobicContact CG2-CE2 3.56Å; Q704-Y746 HydrophobicContact CB-CD1 3.85Å; Q704-Y746 HydrophobicContact CB-CE1 3.89Å; Q704-Y746 HydrophobicContact CG-CD1 4.27Å; Q704-Y746 VanDerWaalsContact OE1-CD1 3.3Å; I707-Y746 HydrophobicContact CD1-CD2 4.1Å; I707-Y746 HydrophobicContact CD1-CG 4.18Å; T742-Y746 PolarHBondContact O-N 3.4Å; L744-Y746 PolarHBondContact O-N 2.89Å; Y746-G748 VanDerWaalsContact C-N 3.31Å; Y746-G748 PolarHBondContact O-N 3.43Å; Y746-L749 PolarHBondContact O-N 3.24Å; Y746-L750 HydrophobicContact CD1-CD1 3.99Å; Y746-L750 HydrophobicContact CD1-CG 4.25Å; Y746-L750 HydrophobicContact CE1-CD1 3.6Å; Y746-L750 HydrophobicContact CE1-CD2 4.28Å; Y746-L750 HydrophobicContact CE1-CG 3.88Å; Y746-L750 PolarHBondContact O-N 3.14Å
747	N	90.2	Very high	89.1	Confident	2 Å²	2	47 Å²	47	1%	0.011	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-40.3	173.4	-76.3	-34.4	0	0	0	111.7	G652 A656 Q704 P743 L744 L750 I751	G652-N747 PolarHBondContact O-ND2 3.41Å; A656-N747 VanDerWaalsContact CA-OD1 3.31Å; A656-N747 WeakPolarHBondContact CA-OD1 3.38Å; A656-N747 WeakPolarHBondContact CB-OD1 3.41Å; A656-N747 PolarHBondContact N-OD1 2.79Å; A656-N747 VanDerWaalsContact N-OD1 3.12Å; Q704-N747 PolarHBondContact NE2-ND2 3.35Å; P743-N747 PolarHBondContact O-N 3.16Å; P743-N747 PolarHBondContact O-ND2 3.42Å; L744-N747 CarbonylContact O-C 3.58Å; L744-N747 WeakPolarHBondContact O-CB 3.31Å; L744-N747 PolarHBondContact O-N 2.92Å; N747-L750 PolarHBondContact O-N 3.01Å; N747-I751 WeakPolarHBondContact O-CB 3.49Å; N747-I751 WeakPolarHBondContact O-CD1 3.35Å; N747-I751 VanDerWaalsContact O-CG1 3.23Å; N747-I751 WeakPolarHBondContact O-CG1 3.24Å; N747-I751 PolarHBondContact O-N 2.93Å
748	G	90.4	Very high	89	Confident	28 Å²	28	41.9 Å²	41.9	29%	0.289	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-44.6	172.4	0	0	0	0	0	113.2	L744 G745 Y746 L750 I751 L752	L744-G748 PolarHBondContact O-N 2.92Å; G745-G748 PolarHBondContact O-N 3.43Å; Y746-G748 VanDerWaalsContact C-N 3.31Å; Y746-G748 PolarHBondContact O-N 3.43Å; G748-L750 PolarHBondContact O-N 3.29Å; G748-I751 PolarHBondContact O-N 3.34Å; G748-L752 WeakPolarHBondContact O-CB 3.34Å; G748-L752 WeakPolarHBondContact O-CG 3.46Å; G748-L752 PolarHBondContact O-N 3.01Å
749	L	91.8	Very high	88.9	Confident	110 Å²	110	42.7 Å²	42.7	58%	0.576	24%	0.235	S	C	*	.	H	α-helix	trans	-63.2	-39.6	175.2	-69.3	172.4	0	0	0	112.3	G745 Y746 S753	G745-L749 WeakPolarHBondContact O-CG 3.46Å; G745-L749 PolarHBondContact O-N 2.7Å; Y746-L749 PolarHBondContact O-N 3.24Å; L749-S753 VanDerWaalsContact O-CB 3.28Å; L749-S753 WeakPolarHBondContact O-CB 3.26Å; L749-S753 PolarHBondContact O-N 3.05Å; L749-S753 PolarHBondContact O-OG 3.34Å
750	L	91.5	Very high	88.7	Confident	9 Å²	9	49 Å²	49	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-43.2	172.9	-72.5	-180	0	0	0	111.8	A656 Y746 N747 G748 S753 C754	A656-L750 HydrophobicContact CB-CD1 4.28Å; Y746-L750 HydrophobicContact CD1-CD1 3.99Å; Y746-L750 HydrophobicContact CD1-CG 4.25Å; Y746-L750 HydrophobicContact CE1-CD1 3.6Å; Y746-L750 HydrophobicContact CE1-CD2 4.28Å; Y746-L750 HydrophobicContact CE1-CG 3.88Å; Y746-L750 PolarHBondContact O-N 3.14Å; N747-L750 PolarHBondContact O-N 3.01Å; G748-L750 PolarHBondContact O-N 3.29Å; L750-S753 PolarHBondContact O-N 2.95Å; L750-C754 WeakPolarHBondContact O-CB 3.37Å; L750-C754 PolarHBondContact O-N 2.98Å; L750-C754 PolarHBondContact O-SG 3.09Å
751	I	91.2	Very high	88.2	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-48.7	178.3	-71.3	159.7	0	0	0	110.9	Y659 N747 G748 S753 C754 T755 M778 C782 W785	Y659-I751 HydrophobicContact CD1-CG1 4.29Å; Y659-I751 HydrophobicContact CD2-CD1 4.24Å; Y659-I751 HydrophobicContact CD2-CG1 3.8Å; Y659-I751 HydrophobicContact CE1-CG1 4.09Å; Y659-I751 HydrophobicContact CE2-CD1 3.66Å; Y659-I751 HydrophobicContact CE2-CG1 3.57Å; Y659-I751 HydrophobicContact CG-CG1 4.16Å; N747-I751 WeakPolarHBondContact O-CB 3.49Å; N747-I751 WeakPolarHBondContact O-CD1 3.35Å; N747-I751 VanDerWaalsContact O-CG1 3.23Å; N747-I751 WeakPolarHBondContact O-CG1 3.24Å; N747-I751 PolarHBondContact O-N 2.93Å; G748-I751 PolarHBondContact O-N 3.34Å; I751-S753 VanDerWaalsContact C-N 3.32Å; I751-S753 PolarHBondContact O-N 3.13Å; I751-C754 WeakPolarHBondContact O-CB 3.39Å; I751-C754 PolarHBondContact O-N 2.96Å; I751-T755 WeakPolarHBondContact O-CB 3.37Å; I751-T755 PolarHBondContact O-N 3.49Å; I751-T755 PolarHBondContact O-OG1 3.29Å; I751-T755 VanDerWaalsContact O-OG1 3.09Å; I751-M778 HydrophobicContact CB-CE 4.35Å; I751-M778 HydrophobicContact CG2-CE 3.92Å; I751-C782 WeakPolarHBondContact CG2-SG 3.48Å; I751-W785 HydrophobicContact CD1-CB 4.2Å; I751-W785 HydrophobicContact CD1-CD2 4.39Å; I751-W785 HydrophobicContact CD1-CG 3.72Å
752	L	89.6	Confident	87.4	Confident	116 Å²	116	51.4 Å²	51.4	61%	0.607	26%	0.262	S	S	*	.	H	α-helix	trans	-59.9	-42.9	176.8	-70.6	170.7	0	0	0	111.5	G748 T755 F756	G748-L752 WeakPolarHBondContact O-CB 3.34Å; G748-L752 WeakPolarHBondContact O-CG 3.46Å; G748-L752 PolarHBondContact O-N 3.01Å; L752-T755 PolarHBondContact O-N 3.23Å; L752-F756 WeakPolarHBondContact O-CB 3.41Å; L752-F756 PolarHBondContact O-N 3.38Å
753	S	89.4	Confident	86.4	Confident	52 Å²	52	55.7 Å²	55.7	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175.5	-60.1	0	0	0	0	112.3	L749 L750 I751 Y757	L749-S753 VanDerWaalsContact O-CB 3.28Å; L749-S753 WeakPolarHBondContact O-CB 3.26Å; L749-S753 PolarHBondContact O-N 3.05Å; L749-S753 PolarHBondContact O-OG 3.34Å; L750-S753 PolarHBondContact O-N 2.95Å; I751-S753 VanDerWaalsContact C-N 3.32Å; I751-S753 PolarHBondContact O-N 3.13Å; S753-Y757 WeakPolarHBondContact O-CD2 3.16Å; S753-Y757 PolarHBondContact O-N 3.41Å; S753-Y757 VanDerWaalsContact O-N 3.12Å
754	C	88.8	Confident	85.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-47.6	173.8	-74.5	0	0	0	0	111.5	V663 L750 I751 Y757 A758 M778	V663-C754 WeakPolarHBondContact CB-SG 3.49Å; L750-C754 WeakPolarHBondContact O-CB 3.37Å; L750-C754 PolarHBondContact O-N 2.98Å; L750-C754 PolarHBondContact O-SG 3.09Å; I751-C754 WeakPolarHBondContact O-CB 3.39Å; I751-C754 PolarHBondContact O-N 2.96Å; C754-Y757 PolarHBondContact O-N 3.23Å; C754-A758 VanDerWaalsContact O-CB 3.24Å; C754-A758 WeakPolarHBondContact O-CB 3.26Å; C754-A758 PolarHBondContact O-N 2.96Å; C754-M778 HydrophobicContact CB-CE 3.38Å; C754-M778 HydrophobicContact CB-CG 4.09Å; C754-M778 HydrophobicContact CB-SD 3.48Å; C754-M778 WeakPolarHBondContact CB-SD 3.32Å
755	T	89.3	Confident	83.7	Confident	24 Å²	24	60.9 Å²	60.9	15%	0.147	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-40.4	-177.7	-64.4	0	0	0	0	111.9	I751 L752 A758 F759 Y779 C782	I751-T755 WeakPolarHBondContact O-CB 3.37Å; I751-T755 PolarHBondContact O-N 3.49Å; I751-T755 PolarHBondContact O-OG1 3.29Å; I751-T755 VanDerWaalsContact O-OG1 3.09Å; L752-T755 PolarHBondContact O-N 3.23Å; T755-A758 PolarHBondContact O-N 3.2Å; T755-F759 WeakPolarHBondContact O-CB 3.24Å; T755-F759 PolarHBondContact O-N 3.31Å; T755-Y779 HydrophobicContact CG2-CD1 4Å; T755-Y779 HydrophobicContact CG2-CE1 3.89Å; T755-C782 PolarHBondContact OG1-SG 3.44Å
756	F	88.7	Confident	81.8	Confident	128 Å²	128	62.8 Å²	62.8	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-60.3	-46.9	173.1	176.6	-102.3	0	0	0	112.3	L752 K760	L752-F756 WeakPolarHBondContact O-CB 3.41Å; L752-F756 PolarHBondContact O-N 3.38Å; F756-K760 WeakPolarHBondContact O-CB 3.49Å; F756-K760 PolarHBondContact O-N 2.99Å; F756-K760 VanDerWaalsContact O-N 3.11Å
757	Y	85.4	Confident	79.8	Confident	70 Å²	70	66.3 Å²	66.3	28%	0.275	35%	0.351	S	S	.	.	H	α-helix	trans	-67.7	-39.8	175.4	-66.9	-45.1	0	0	0	112.3	V663 N667 S753 C754 F759 K760 T761	V663-Y757 HydrophobicContact CG2-CD2 3.73Å; V663-Y757 HydrophobicContact CG2-CE2 3.9Å; N667-Y757 HydrophobicContact CB-CD2 4.28Å; N667-Y757 HydrophobicContact CB-CE2 4.27Å; S753-Y757 WeakPolarHBondContact O-CD2 3.16Å; S753-Y757 PolarHBondContact O-N 3.41Å; S753-Y757 VanDerWaalsContact O-N 3.12Å; C754-Y757 PolarHBondContact O-N 3.23Å; Y757-F759 PolarHBondContact O-N 3.41Å; Y757-K760 CarbonylContact O-C 3.6Å; Y757-K760 WeakPolarHBondContact O-CB 3.3Å; Y757-K760 PolarHBondContact O-N 3.04Å; Y757-K760 VanDerWaalsContact O-N 3.17Å; Y757-T761 WeakPolarHBondContact O-CG2 3.22Å; Y757-T761 PolarHBondContact O-N 3.46Å; Y757-T761 PolarHBondContact O-OG1 3.3Å
758	A	84.5	Confident	78.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.5	-46	177.9	0	0	0	0	0	111.6	C754 T755 K760 T761 R762 A775 M778	C754-A758 VanDerWaalsContact O-CB 3.24Å; C754-A758 WeakPolarHBondContact O-CB 3.26Å; C754-A758 PolarHBondContact O-N 2.96Å; T755-A758 PolarHBondContact O-N 3.2Å; A758-K760 VanDerWaalsContact C-N 3.35Å; A758-K760 PolarHBondContact O-N 3.34Å; A758-T761 WeakPolarHBondContact CA-OG1 3.42Å; A758-T761 CarbonylContact O-C 3.19Å; A758-T761 WeakPolarHBondContact O-CA 3.4Å; A758-T761 PolarHBondContact O-N 3.35Å; A758-T761 PolarHBondContact O-OG1 3.31Å; A758-R762 PolarHBondContact O-N 3.04Å; A758-R762 VanDerWaalsContact O-N 3.08Å; A758-A775 HydrophobicContact CB-CB 4.29Å; A758-M778 HydrophobicContact CB-CB 4.49Å; A758-M778 HydrophobicContact CB-CG 4.24Å
759	F	84.3	Confident	77.1	Confident	106 Å²	106	73.3 Å²	73.3	47%	0.465	38%	0.378	S	S	.	.	H	α-helix	trans	-56.2	-47.2	172.3	179.3	-86.6	0	0	0	111.5	T755 Y757 T761 R762	T755-F759 WeakPolarHBondContact O-CB 3.24Å; T755-F759 PolarHBondContact O-N 3.31Å; Y757-F759 PolarHBondContact O-N 3.41Å; F759-T761 PolarHBondContact O-N 3.3Å; F759-R762 WeakPolarHBondContact O-CB 3.36Å; F759-R762 WeakPolarHBondContact O-CD 3.34Å; F759-R762 VanDerWaalsContact O-CG 3.23Å; F759-R762 WeakPolarHBondContact O-CG 3.27Å; F759-R762 PolarHBondContact O-N 2.95Å; F759-R762 VanDerWaalsContact O-N 3.09Å
760	K	81.5	Confident	76.3	Confident	136 Å²	136	69.1 Å²	69.1	59%	0.591	36%	0.356	S	S	*	.	H	α-helix	trans	-62.3	-24.6	176.5	-168.6	167.3	-174.7	165.7	0	113.3	F756 Y757 A758	F756-K760 WeakPolarHBondContact O-CB 3.49Å; F756-K760 PolarHBondContact O-N 2.99Å; F756-K760 VanDerWaalsContact O-N 3.11Å; Y757-K760 CarbonylContact O-C 3.6Å; Y757-K760 WeakPolarHBondContact O-CB 3.3Å; Y757-K760 PolarHBondContact O-N 3.04Å; Y757-K760 VanDerWaalsContact O-N 3.17Å; A758-K760 VanDerWaalsContact C-N 3.35Å; A758-K760 PolarHBondContact O-N 3.34Å
761	T	75.1	Confident	75.6	Confident	2 Å²	2	69 Å²	69	1%	0.012	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.5	175.5	59.5	0	0	0	0	114.8	I669 A670 L673 Y757 A758 F759 V764	I669-T761 HydrophobicContact CB-CG2 4.08Å; I669-T761 HydrophobicContact CG2-CG2 3.69Å; A670-T761 HydrophobicContact CB-CG2 3.82Å; L673-T761 HydrophobicContact CD1-CG2 4.02Å; Y757-T761 WeakPolarHBondContact O-CG2 3.22Å; Y757-T761 PolarHBondContact O-N 3.46Å; Y757-T761 PolarHBondContact O-OG1 3.3Å; A758-T761 WeakPolarHBondContact CA-OG1 3.42Å; A758-T761 CarbonylContact O-C 3.19Å; A758-T761 WeakPolarHBondContact O-CA 3.4Å; A758-T761 PolarHBondContact O-N 3.35Å; A758-T761 PolarHBondContact O-OG1 3.31Å; F759-T761 PolarHBondContact O-N 3.3Å; T761-V764 WeakPolarHBondContact O-CG2 3.46Å
762	R	72.6	Confident	75.2	Confident	130 Å²	130	76 Å²	76	49%	0.491	39%	0.386	S	S	.	.	S	Bend	trans	-74.7	-29.7	-173.6	85.8	-166.6	179.3	155.1	-1.5	114.2	A758 F759 V764	A758-R762 PolarHBondContact O-N 3.04Å; A758-R762 VanDerWaalsContact O-N 3.08Å; F759-R762 WeakPolarHBondContact O-CB 3.36Å; F759-R762 WeakPolarHBondContact O-CD 3.34Å; F759-R762 VanDerWaalsContact O-CG 3.23Å; F759-R762 WeakPolarHBondContact O-CG 3.27Å; F759-R762 PolarHBondContact O-N 2.95Å; F759-R762 VanDerWaalsContact O-N 3.09Å; R762-V764 VanDerWaalsContact C-N 3.32Å; R762-V764 PolarHBondContact O-N 3.06Å
763	N	69.1	Low	75	Confident	139 Å²	139	75 Å²	75	74%	0.743	38%	0.375	S	S	*	.	S	Bend	trans	-91.8	48.9	-176.5	-67.3	13.1	0	0	0	112.4
764	V	64.8	Low	74.9	Confident	38 Å²	38	72.6 Å²	72.6	23%	0.23	36%	0.358	C	S	.	.			trans	-98.3	135.8	179.3	175.6	0	0	0	0	109.4	L673 T761 R762 F768	L673-V764 HydrophobicContact CD1-CG2 3.38Å; L673-V764 HydrophobicContact CD2-CG1 4.44Å; L673-V764 HydrophobicContact CD2-CG2 3.79Å; L673-V764 HydrophobicContact CG-CG2 4.22Å; T761-V764 WeakPolarHBondContact O-CG2 3.46Å; R762-V764 VanDerWaalsContact C-N 3.32Å; R762-V764 PolarHBondContact O-N 3.06Å; V764-F768 HydrophobicContact CG1-CB 4.3Å
765	P	55.5	Low	74.7	Confident	109 Å²	109	72.9 Å²	72.9	71%	0.708	36%	0.36	S	S	*	.			trans	-59.5	151.5	180	22.9	-33.5	0	0	0	112.8	N767	P765-N767 PolarHBondContact O-N 3.5Å
766	A	50.3	Low	74.7	Confident	77 Å²	77	77.6 Å²	77.6	64%	0.636	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-9.2	-152.5	0	0	0	0	0	118.2	F768	A766-F768 PolarHBondContact O-N 3.05Å
767	N	51.2	Low	74.8	Confident	108 Å²	108	71.6 Å²	71.6	58%	0.578	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-0.2	-176.8	-63.8	-4.9	0	0	0	113.8	P765 T839	P765-N767 PolarHBondContact O-N 3.5Å; N767-T839 HydrophobicContact CB-CG2 4.44Å
768	F	57.8	Low	75	Confident	82 Å²	82	68.2 Å²	68.2	36%	0.36	34%	0.339	S	S	.	.			trans	-127.9	63.5	177.7	-119.7	-85.5	0	0	0	113.1	V764 A766 E770 A771 F837	V764-F768 HydrophobicContact CG1-CB 4.3Å; A766-F768 PolarHBondContact O-N 3.05Å; F768-E770 HydrophobicContact CD1-CB 4.29Å; F768-E770 PolarHBondContact O-N 3.14Å; F768-A771 PolarHBondContact O-N 3.46Å; F768-F837 AromaticContact CE2-CD1 3.99Å; F768-F837 HydrophobicContact CE2-CD1 3.99Å; F768-F837 HydrophobicContact CZ-CD1 4.13Å
769	N	66.3	Low	75.3	Confident	95 Å²	95	72.3 Å²	72.3	51%	0.508	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-22.3	-179.5	-72.4	-57	0	0	0	115	A771 K772 Y773	N769-A771 PolarHBondContact O-N 2.94Å; N769-K772 WeakPolarHBondContact O-CB 3.33Å; N769-K772 PolarHBondContact O-N 3.32Å; N769-K772 VanDerWaalsContact O-N 3.09Å; N769-Y773 HydrophobicContact CB-CD2 4.41Å; N769-Y773 HydrophobicContact CB-CE2 3.94Å; N769-Y773 WeakPolarHBondContact O-CD2 3.16Å; N769-Y773 PolarHBondContact O-N 3.11Å
770	E	75.7	Confident	75.7	Confident	23 Å²	23	69.1 Å²	69.1	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-53.2	-36.3	175.8	177.3	162.3	-149.8	0	0	113.7	K665 F768 K772 Y773 I774 K821	K665-E770 WeakPolarHBondContact CE-OE1 3.35Å; K665-E770 IonicContact NZ-OE1 2.7Å; K665-E770 PolarHBondContact NZ-OE1 2.94Å; F768-E770 HydrophobicContact CD1-CB 4.29Å; F768-E770 PolarHBondContact O-N 3.14Å; E770-K772 VanDerWaalsContact C-N 3.32Å; E770-K772 PolarHBondContact O-N 3.21Å; E770-Y773 PolarHBondContact O-N 2.87Å; E770-I774 HydrophobicContact CG-CD1 3.75Å; E770-I774 HydrophobicContact CG-CG1 4.33Å; E770-I774 WeakPolarHBondContact O-CG1 3.37Å; E770-I774 PolarHBondContact O-N 3.32Å; E770-K821 WeakPolarHBondContact OE1-CE 3.3Å; E770-K821 IonicContact OE1-NZ 2.64Å; E770-K821 PolarHBondContact OE1-NZ 3.19Å; E770-K821 IonicContact OE2-NZ 3.79Å; E770-K821 PolarHBondContact OE2-NZ 3.11Å
771	A	77.7	Confident	76.1	Confident	5 Å²	5	62.7 Å²	62.7	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-34.8	179.4	0	0	0	0	0	112.7	F768 N769 A775	F768-A771 PolarHBondContact O-N 3.46Å; N769-A771 PolarHBondContact O-N 2.94Å; A771-A775 WeakPolarHBondContact O-CB 3.36Å; A771-A775 PolarHBondContact O-N 2.75Å
772	K	81.9	Confident	76.8	Confident	155 Å²	155	63.7 Å²	63.7	67%	0.674	32%	0.323	S	S	*	.	H	α-helix	trans	-66.7	-44.8	175.5	-176.4	-179	177.8	-178.3	0	111.1	N769 E770 A775 F776	N769-K772 WeakPolarHBondContact O-CB 3.33Å; N769-K772 PolarHBondContact O-N 3.32Å; N769-K772 VanDerWaalsContact O-N 3.09Å; E770-K772 VanDerWaalsContact C-N 3.32Å; E770-K772 PolarHBondContact O-N 3.21Å; K772-A775 PolarHBondContact O-N 3.46Å; K772-F776 PolarHBondContact O-N 3.45Å
773	Y	85.9	Confident	77.8	Confident	96 Å²	96	63.2 Å²	63.2	38%	0.376	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-41.7	177.7	-67.7	-60.7	0	0	0	112.3	N769 E770 F776 T777 C816 P820	N769-Y773 HydrophobicContact CB-CD2 4.41Å; N769-Y773 HydrophobicContact CB-CE2 3.94Å; N769-Y773 WeakPolarHBondContact O-CD2 3.16Å; N769-Y773 PolarHBondContact O-N 3.11Å; E770-Y773 PolarHBondContact O-N 2.87Å; Y773-F776 PolarHBondContact O-N 2.74Å; Y773-T777 WeakPolarHBondContact O-CB 3.47Å; Y773-T777 PolarHBondContact O-N 3.31Å; Y773-T777 PolarHBondContact O-OG1 3.08Å; Y773-C816 WeakPolarHBondContact CB-O 3.24Å; Y773-P820 HydrophobicContact CD1-CB 4.31Å; Y773-P820 HydrophobicContact CD1-CG 3.77Å; Y773-P820 HydrophobicContact CD2-CB 4.17Å; Y773-P820 HydrophobicContact CD2-CG 4.43Å; Y773-P820 HydrophobicContact CE1-CB 3.97Å; Y773-P820 HydrophobicContact CE1-CG 3.64Å; Y773-P820 HydrophobicContact CE2-CB 3.81Å; Y773-P820 HydrophobicContact CE2-CG 4.32Å; Y773-P820 HydrophobicContact CG-CB 4.43Å; Y773-P820 HydrophobicContact CG-CG 4.19Å
774	I	86.6	Confident	78.9	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-43.1	175.8	-63.9	165.4	0	0	0	111.2	L662 T666 I669 E770 F776 T777 M778 M817	L662-I774 HydrophobicContact CD1-CG1 4.37Å; L662-I774 HydrophobicContact CD1-CG2 3.9Å; L662-I774 HydrophobicContact CG-CG2 4.48Å; T666-I774 HydrophobicContact CG2-CG2 3.49Å; T666-I774 VanDerWaalsContact CG2-CG2 3.49Å; I669-I774 HydrophobicContact CD1-CD1 4.3Å; E770-I774 HydrophobicContact CG-CD1 3.75Å; E770-I774 HydrophobicContact CG-CG1 4.33Å; E770-I774 WeakPolarHBondContact O-CG1 3.37Å; E770-I774 PolarHBondContact O-N 3.32Å; I774-F776 PolarHBondContact O-N 3.44Å; I774-T777 PolarHBondContact O-N 2.86Å; I774-M778 HydrophobicContact CG2-CG 4.4Å; I774-M778 WeakPolarHBondContact O-CG 3.34Å; I774-M778 PolarHBondContact O-N 2.69Å; I774-M817 HydrophobicContact CD1-CE 4.38Å; I774-M817 HydrophobicContact CG1-CE 4.22Å; I774-M817 HydrophobicContact CG1-CG 4.44Å
775	A	85.8	Confident	80.1	Confident	6 Å²	6	57.4 Å²	57.4	5%	0.05	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-43.8	176.9	0	0	0	0	0	112.5	A758 A771 K772 M778 Y779	A758-A775 HydrophobicContact CB-CB 4.29Å; A771-A775 WeakPolarHBondContact O-CB 3.36Å; A771-A775 PolarHBondContact O-N 2.75Å; K772-A775 PolarHBondContact O-N 3.46Å; A775-M778 PolarHBondContact O-N 2.87Å; A775-Y779 HydrophobicContact CB-CE2 4.17Å; A775-Y779 WeakPolarHBondContact O-CD2 3.39Å; A775-Y779 VanDerWaalsContact O-CG 3.3Å; A775-Y779 PolarHBondContact O-N 3.42Å; A775-Y779 VanDerWaalsContact O-N 3.07Å
776	F	88.2	Confident	81.7	Confident	123 Å²	123	58.6 Å²	58.6	54%	0.539	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-49.6	174.8	-176.1	-109.6	0	0	0	111.8	K772 Y773 I774 M778 Y779 T780 C816	K772-F776 PolarHBondContact O-N 3.45Å; Y773-F776 PolarHBondContact O-N 2.74Å; I774-F776 PolarHBondContact O-N 3.44Å; F776-M778 VanDerWaalsContact C-N 3.28Å; F776-M778 PolarHBondContact O-N 2.84Å; F776-Y779 PolarHBondContact O-N 3.26Å; F776-T780 PolarHBondContact O-N 3.28Å; F776-T780 VanDerWaalsContact O-N 3.11Å; F776-T780 PolarHBondContact O-OG1 3.07Å; F776-C816 HydrophobicContact CD1-CB 4.11Å; F776-C816 VanDerWaalsContact CE1-SG 3.6Å
777	T	90.8	Very high	83.7	Confident	2 Å²	2	57 Å²	57	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-51.9	-48.4	175.5	-51.9	0	0	0	0	111.1	Y773 I774 T780 T781 V812 A813 C816	Y773-T777 WeakPolarHBondContact O-CB 3.47Å; Y773-T777 PolarHBondContact O-N 3.31Å; Y773-T777 PolarHBondContact O-OG1 3.08Å; I774-T777 PolarHBondContact O-N 2.86Å; T777-T780 PolarHBondContact O-N 2.69Å; T777-T781 WeakPolarHBondContact O-CG2 3.4Å; T777-T781 PolarHBondContact O-N 3.23Å; T777-T781 PolarHBondContact O-OG1 3.05Å; T777-V812 HydrophobicContact CG2-CG1 4.37Å; T777-A813 HydrophobicContact CG2-CB 4.49Å; T777-C816 HydrophobicContact CG2-CB 4.31Å; T777-C816 WeakPolarHBondContact OG1-CB 3.29Å
778	M	89.9	Confident	85.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-48.1	-178.3	-74.9	-48	-44.4	0	0	112.8	Y659 L662 I751 C754 A758 I774 A775 F776 T780 T781 C782	Y659-M778 HydrophobicContact CE1-CE 4.39Å; Y659-M778 HydrophobicContact CE1-SD 4.49Å; L662-M778 HydrophobicContact CD2-SD 3.51Å; L662-M778 VanDerWaalsContact CD2-SD 3.51Å; L662-M778 HydrophobicContact CG-SD 4.38Å; I751-M778 HydrophobicContact CB-CE 4.35Å; I751-M778 HydrophobicContact CG2-CE 3.92Å; C754-M778 HydrophobicContact CB-CE 3.38Å; C754-M778 HydrophobicContact CB-CG 4.09Å; C754-M778 HydrophobicContact CB-SD 3.48Å; C754-M778 WeakPolarHBondContact CB-SD 3.32Å; A758-M778 HydrophobicContact CB-CB 4.49Å; A758-M778 HydrophobicContact CB-CG 4.24Å; I774-M778 HydrophobicContact CG2-CG 4.4Å; I774-M778 WeakPolarHBondContact O-CG 3.34Å; I774-M778 PolarHBondContact O-N 2.69Å; A775-M778 PolarHBondContact O-N 2.87Å; F776-M778 VanDerWaalsContact C-N 3.28Å; F776-M778 PolarHBondContact O-N 2.84Å; M778-T780 VanDerWaalsContact C-N 3.32Å; M778-T780 PolarHBondContact O-N 3.08Å; M778-T781 WeakPolarHBondContact CA-OG1 3.49Å; M778-T781 PolarHBondContact O-N 3.17Å; M778-T781 PolarHBondContact O-OG1 3.37Å; M778-C782 PolarHBondContact O-N 2.03Å; M778-C782 PolarHBondContact O-SG 2.87Å; M778-C782 VanDerWaalsContact O-SG 3.36Å
779	Y	90.6	Very high	87	Confident	85 Å²	85	51.2 Å²	51.2	33%	0.333	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-42.1	179.2	-60	-41.8	0	0	0	112.1	T755 A775 F776 C782 I783	T755-Y779 HydrophobicContact CG2-CD1 4Å; T755-Y779 HydrophobicContact CG2-CE1 3.89Å; A775-Y779 HydrophobicContact CB-CE2 4.17Å; A775-Y779 WeakPolarHBondContact O-CD2 3.39Å; A775-Y779 VanDerWaalsContact O-CG 3.3Å; A775-Y779 PolarHBondContact O-N 3.42Å; A775-Y779 VanDerWaalsContact O-N 3.07Å; F776-Y779 PolarHBondContact O-N 3.26Å; Y779-C782 PolarHBondContact O-N 2.84Å; Y779-I783 PolarHBondContact O-N 2.73Å
780	T	91.8	Very high	88.2	Confident	40 Å²	40	50.7 Å²	50.7	25%	0.245	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-42.8	175.8	-53.4	0	0	0	0	111.7	F776 T777 M778 C782 I783 I784 V812	F776-T780 PolarHBondContact O-N 3.28Å; F776-T780 VanDerWaalsContact O-N 3.11Å; F776-T780 PolarHBondContact O-OG1 3.07Å; T777-T780 PolarHBondContact O-N 2.69Å; M778-T780 VanDerWaalsContact C-N 3.32Å; M778-T780 PolarHBondContact O-N 3.08Å; T780-C782 PolarHBondContact O-N 3.12Å; T780-I783 PolarHBondContact O-N 3.26Å; T780-I784 HydrophobicContact CG2-CD1 4.35Å; T780-I784 PolarHBondContact O-N 3.07Å; T780-V812 HydrophobicContact CG2-CB 4.42Å; T780-V812 HydrophobicContact CG2-CG1 3.69Å; T780-V812 HydrophobicContact CG2-CG2 3.81Å
781	T	90.6	Very high	89	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-34.7	176.5	55.7	0	0	0	0	113.3	Y659 T777 M778 I783 I784 W785 V812	Y659-T781 HydrophobicContact CE1-CG2 4.48Å; T777-T781 WeakPolarHBondContact O-CG2 3.4Å; T777-T781 PolarHBondContact O-N 3.23Å; T777-T781 PolarHBondContact O-OG1 3.05Å; M778-T781 WeakPolarHBondContact CA-OG1 3.49Å; M778-T781 PolarHBondContact O-N 3.17Å; M778-T781 PolarHBondContact O-OG1 3.37Å; T781-I783 VanDerWaalsContact C-N 3.3Å; T781-I783 PolarHBondContact O-N 3.4Å; T781-I784 PolarHBondContact O-N 3.29Å; T781-W785 VanDerWaalsContact O-CD1 3.24Å; T781-W785 PolarHBondContact O-N 3.4Å; T781-W785 VanDerWaalsContact O-N 3.09Å; T781-V812 HydrophobicContact CG2-CG1 3.96Å
782	C	90.7	Very high	89.5	Confident	23 Å²	23	54.3 Å²	54.3	16%	0.155	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-43.6	173.5	-70.5	0	0	0	0	111.8	I751 T755 M778 Y779 T780 L786	I751-C782 WeakPolarHBondContact CG2-SG 3.48Å; T755-C782 PolarHBondContact OG1-SG 3.44Å; M778-C782 PolarHBondContact O-N 2.03Å; M778-C782 PolarHBondContact O-SG 2.87Å; M778-C782 VanDerWaalsContact O-SG 3.36Å; Y779-C782 PolarHBondContact O-N 2.84Å; T780-C782 PolarHBondContact O-N 3.12Å; C782-L786 WeakPolarHBondContact O-CB 3.32Å; C782-L786 VanDerWaalsContact O-CG 3.24Å; C782-L786 WeakPolarHBondContact O-CG 3.41Å; C782-L786 PolarHBondContact O-N 2.77Å
783	I	92.9	Very high	89.8	Confident	120 Å²	120	51.5 Å²	51.5	62%	0.615	26%	0.264	S	S	*	.	H	α-helix	trans	-65.3	-43.5	-179.1	-64.5	167.5	0	0	0	110.6	Y779 T780 T781 L786 A787	Y779-I783 PolarHBondContact O-N 2.73Å; T780-I783 PolarHBondContact O-N 3.26Å; T781-I783 VanDerWaalsContact C-N 3.3Å; T781-I783 PolarHBondContact O-N 3.4Å; I783-L786 PolarHBondContact O-N 3.22Å; I783-A787 WeakPolarHBondContact O-CB 3.5Å; I783-A787 PolarHBondContact O-N 3.19Å
784	I	92.4	Very high	89.7	Confident	32 Å²	32	50.2 Å²	50.2	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-49.9	178.3	-66.8	168.3	0	0	0	111.1	T780 T781 L786 A787 F788 L808 V812	T780-I784 HydrophobicContact CG2-CD1 4.35Å; T780-I784 PolarHBondContact O-N 3.07Å; T781-I784 PolarHBondContact O-N 3.29Å; I784-L786 PolarHBondContact O-N 3.37Å; I784-A787 PolarHBondContact O-N 3.39Å; I784-F788 PolarHBondContact O-N 2.87Å; I784-L808 HydrophobicContact CD1-CB 4.39Å; I784-V812 HydrophobicContact CD1-CB 4.47Å; I784-V812 HydrophobicContact CD1-CG2 3.84Å
785	W	90.1	Very high	89.6	Confident	24 Å²	24	51.5 Å²	51.5	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-71.8	-27.4	-177.9	-73.2	108	0	0	0	113.8	P655 Y659 L744 I751 T781 F788 V806 S809	P655-W785 HydrophobicContact CB-CZ2 4.1Å; P655-W785 HydrophobicContact CG-CH2 4.12Å; P655-W785 HydrophobicContact CG-CZ2 3.9Å; Y659-W785 AromaticContact CE2-NE1 3.96Å; Y659-W785 AromaticContact CZ-NE1 3.93Å; Y659-W785 PolarHBondContact OH-NE1 3.43Å; L744-W785 HydrophobicContact CD1-CE3 3.52Å; L744-W785 HydrophobicContact CD1-CH2 4.43Å; L744-W785 HydrophobicContact CD1-CZ3 3.39Å; I751-W785 HydrophobicContact CD1-CB 4.2Å; I751-W785 HydrophobicContact CD1-CD2 4.39Å; I751-W785 HydrophobicContact CD1-CG 3.72Å; T781-W785 VanDerWaalsContact O-CD1 3.24Å; T781-W785 PolarHBondContact O-N 3.4Å; T781-W785 VanDerWaalsContact O-N 3.09Å; W785-F788 HydrophobicContact CE3-CB 4.48Å; W785-F788 HydrophobicContact CE3-CD1 4.04Å; W785-F788 HydrophobicContact CE3-CG 4.4Å; W785-F788 HydrophobicContact CZ3-CD1 4.13Å; W785-F788 HydrophobicContact CZ3-CE1 4.39Å; W785-V806 HydrophobicContact CH2-CG2 4.26Å; W785-S809 PolarHBondContact NE1-OG 2.84Å; W785-S809 VanDerWaalsContact NE1-OG 3.15Å
786	L	89.5	Confident	89.3	Confident	133 Å²	133	58.5 Å²	58.5	70%	0.696	33%	0.325	S	S	*	.	H	α-helix	trans	-71.8	-36.8	170.4	-73.1	170.4	0	0	0	112.3	C782 I783 I784 P790	C782-L786 WeakPolarHBondContact O-CB 3.32Å; C782-L786 VanDerWaalsContact O-CG 3.24Å; C782-L786 WeakPolarHBondContact O-CG 3.41Å; C782-L786 PolarHBondContact O-N 2.77Å; I783-L786 PolarHBondContact O-N 3.22Å; I784-L786 PolarHBondContact O-N 3.37Å; L786-P790 VanDerWaalsContact O-CD 3.3Å; L786-P790 WeakPolarHBondContact O-CD 3.42Å
787	A	91.4	Very high	89	Confident	45 Å²	45	59.5 Å²	59.5	37%	0.372	33%	0.327	S	S	.	.	H	α-helix	trans	-73	-32	176.4	0	0	0	0	0	112.9	I783 I784 V789 P790 I791	I783-A787 WeakPolarHBondContact O-CB 3.5Å; I783-A787 PolarHBondContact O-N 3.19Å; I784-A787 PolarHBondContact O-N 3.39Å; A787-V789 PolarHBondContact O-N 2.98Å; A787-P790 VanDerWaalsContact O-CD 3.32Å; A787-P790 WeakPolarHBondContact O-CD 3.37Å; A787-P790 WeakPolarHBondContact O-CG 3.2Å; A787-I791 WeakPolarHBondContact O-CD1 3.31Å; A787-I791 VanDerWaalsContact O-CG1 3.28Å; A787-I791 WeakPolarHBondContact O-CG1 3.23Å
788	F	90.8	Very high	88.8	Confident	7 Å²	7	63.7 Å²	63.7	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-55.8	-46	178.6	167.9	-109.8	0	0	0	113.1	L744 I784 W785 I791 Y792 T801 M802 S805	L744-F788 HydrophobicContact CD1-CD1 3.97Å; L744-F788 HydrophobicContact CD1-CE1 3.83Å; L744-F788 HydrophobicContact CD2-CD1 4.17Å; L744-F788 HydrophobicContact CD2-CE1 3.92Å; I784-F788 PolarHBondContact O-N 2.87Å; W785-F788 HydrophobicContact CE3-CB 4.48Å; W785-F788 HydrophobicContact CE3-CD1 4.04Å; W785-F788 HydrophobicContact CE3-CG 4.4Å; W785-F788 HydrophobicContact CZ3-CD1 4.13Å; W785-F788 HydrophobicContact CZ3-CE1 4.39Å; F788-I791 PolarHBondContact O-N 2.78Å; F788-Y792 AromaticContact CE2-CD2 3.69Å; F788-Y792 HydrophobicContact CE2-CD2 3.69Å; F788-Y792 HydrophobicContact CE2-CG 4Å; F788-Y792 AromaticContact CZ-CD2 3.63Å; F788-Y792 HydrophobicContact CZ-CD2 3.63Å; F788-Y792 HydrophobicContact CZ-CE2 4.38Å; F788-Y792 AromaticContact CZ-CG 3.78Å; F788-Y792 HydrophobicContact CZ-CG 3.78Å; F788-Y792 WeakPolarHBondContact O-CB 3.35Å; F788-Y792 PolarHBondContact O-N 3.04Å; F788-T801 HydrophobicContact CD2-CG2 4.13Å; F788-T801 HydrophobicContact CE2-CG2 4.26Å; F788-M802 HydrophobicContact CE2-CB 4.25Å; F788-M802 HydrophobicContact CE2-CG 4.4Å; F788-M802 HydrophobicContact CZ-CG 4.44Å; F788-S805 WeakPolarHBondContact CD2-OG 3.33Å
789	V	88.3	Confident	88.7	Confident	60 Å²	60	66.2 Å²	66.2	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-55.4	-57.3	-173	176.8	0	0	0	0	113.4	L744 A787 I791 Y792 F793	L744-V789 HydrophobicContact CD2-CG2 4.02Å; A787-V789 PolarHBondContact O-N 2.98Å; V789-I791 VanDerWaalsContact C-N 3.33Å; V789-I791 PolarHBondContact O-N 3.47Å; V789-Y792 PolarHBondContact O-N 3.32Å; V789-F793 HydrophobicContact CG1-CD2 4.1Å; V789-F793 HydrophobicContact CG1-CE2 4.23Å; V789-F793 VanDerWaalsContact O-CD2 3.31Å; V789-F793 WeakPolarHBondContact O-CD2 3.26Å; V789-F793 PolarHBondContact O-N 3.33Å
790	P	91	Very high	88.6	Confident	84 Å²	84	63 Å²	63	55%	0.545	35%	0.346	S	S	.	.	H	α-helix	trans	-65.9	-32.4	179.6	25.6	-35	0	0	0	113.3	L786 A787 G794	L786-P790 VanDerWaalsContact O-CD 3.3Å; L786-P790 WeakPolarHBondContact O-CD 3.42Å; A787-P790 VanDerWaalsContact O-CD 3.32Å; A787-P790 WeakPolarHBondContact O-CD 3.37Å; A787-P790 WeakPolarHBondContact O-CG 3.2Å; P790-G794 WeakPolarHBondContact O-CA 3.34Å; P790-G794 PolarHBondContact O-N 2.93Å
791	I	91.4	Very high	88.6	Confident	93 Å²	93	62.1 Å²	62.1	48%	0.477	34%	0.341	S	S	.	.	H	α-helix	trans	-70.9	-39.4	179.5	-56.9	169.3	0	0	0	110.5	A787 F788 V789 S795 T801	A787-I791 WeakPolarHBondContact O-CD1 3.31Å; A787-I791 VanDerWaalsContact O-CG1 3.28Å; A787-I791 WeakPolarHBondContact O-CG1 3.23Å; F788-I791 PolarHBondContact O-N 2.78Å; V789-I791 VanDerWaalsContact C-N 3.33Å; V789-I791 PolarHBondContact O-N 3.47Å; I791-S795 WeakPolarHBondContact O-CB 3.21Å; I791-S795 PolarHBondContact O-N 3.07Å; I791-S795 PolarHBondContact O-OG 3.39Å; I791-T801 HydrophobicContact CB-CG2 4.07Å; I791-T801 HydrophobicContact CG2-CG2 3.58Å
792	Y	88.9	Confident	88.5	Confident	12 Å²	12	62.3 Å²	62.3	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-43.7	178.5	-176.4	-92.5	0	0	0	112.6	V740 F788 V789 K798 M802	V740-Y792 HydrophobicContact CG1-CE1 4.06Å; V740-Y792 HydrophobicContact CG2-CE1 4.43Å; F788-Y792 AromaticContact CE2-CD2 3.69Å; F788-Y792 HydrophobicContact CE2-CD2 3.69Å; F788-Y792 HydrophobicContact CE2-CG 4Å; F788-Y792 AromaticContact CZ-CD2 3.63Å; F788-Y792 HydrophobicContact CZ-CD2 3.63Å; F788-Y792 HydrophobicContact CZ-CE2 4.38Å; F788-Y792 AromaticContact CZ-CG 3.78Å; F788-Y792 HydrophobicContact CZ-CG 3.78Å; F788-Y792 WeakPolarHBondContact O-CB 3.35Å; F788-Y792 PolarHBondContact O-N 3.04Å; V789-Y792 PolarHBondContact O-N 3.32Å; Y792-K798 HydrophobicContact CD2-CB 4.2Å; Y792-K798 HydrophobicContact CE2-CB 3.67Å; Y792-K798 HydrophobicContact CE2-CG 4.27Å; Y792-M802 HydrophobicContact CE2-CB 4.49Å; Y792-M802 HydrophobicContact CE2-CE 4.24Å; Y792-M802 HydrophobicContact CE2-SD 4.09Å
793	F	87.8	Confident	88.5	Confident	95 Å²	95	61.2 Å²	61.2	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-81	-25.7	179.2	-70.9	-65	0	0	0	113.8	N737 V741 V789	N737-F793 HydrophobicContact CB-CE1 4.47Å; V741-F793 HydrophobicContact CG2-CE2 4.22Å; V741-F793 HydrophobicContact CG2-CZ 3.71Å; V789-F793 HydrophobicContact CG1-CD2 4.1Å; V789-F793 HydrophobicContact CG1-CE2 4.23Å; V789-F793 VanDerWaalsContact O-CD2 3.31Å; V789-F793 WeakPolarHBondContact O-CD2 3.26Å; V789-F793 PolarHBondContact O-N 3.33Å
794	G	85.1	Confident	88.4	Confident	70 Å²	70	58.6 Å²	58.6	72%	0.722	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	7.3	-179.5	0	0	0	0	0	115.7	P790	P790-G794 WeakPolarHBondContact O-CA 3.34Å; P790-G794 PolarHBondContact O-N 2.93Å
795	S	84.9	Confident	88.3	Confident	27 Å²	27	57.7 Å²	57.7	19%	0.189	32%	0.315	C	S	.	.			trans	-136.7	155	-177.5	69	0	0	0	0	113.7	I791 K798	I791-S795 WeakPolarHBondContact O-CB 3.21Å; I791-S795 PolarHBondContact O-N 3.07Å; I791-S795 PolarHBondContact O-OG 3.39Å; S795-K798 WeakPolarHBondContact O-CE 3.03Å; S795-K798 WeakPolarHBondContact O-CG 3.01Å
796	N	78.6	Confident	88.4	Confident	153 Å²	153	57 Å²	57	82%	0.818	31%	0.314	S	S	*	.	S	Bend	trans	-79.5	-27.4	173.6	-63.7	-6.3	0	0	0	111.3	K798	N796-K798 PolarHBondContact O-N 2.87Å
797	Y	81.5	Confident	88.5	Confident	145 Å²	145	50.7 Å²	50.7	57%	0.569	28%	0.281	S	S	*	.			trans	-77.5	36.6	-177.7	-57.9	-65.7	0	0	0	114.6	I799 I800 T801	Y797-I799 VanDerWaalsContact C-N 3.27Å; Y797-I799 PolarHBondContact O-N 3.47Å; Y797-I799 VanDerWaalsContact O-N 3.11Å; Y797-I800 HydrophobicContact CD1-CD1 3.95Å; Y797-I800 HydrophobicContact CG-CD1 4.4Å; Y797-I800 PolarHBondContact O-N 3.36Å; Y797-T801 PolarHBondContact O-N 3.33Å; Y797-T801 PolarHBondContact O-OG1 2.88Å
798	K	86.6	Confident	88.6	Confident	89 Å²	89	52.2 Å²	52.2	39%	0.387	28%	0.282	S	S	.	.	H	α-helix	trans	-47.4	-44	-173.5	-66.1	172.2	-175	163.3	0	113.5	Y792 S795 N796 M802	Y792-K798 HydrophobicContact CD2-CB 4.2Å; Y792-K798 HydrophobicContact CE2-CB 3.67Å; Y792-K798 HydrophobicContact CE2-CG 4.27Å; S795-K798 WeakPolarHBondContact O-CE 3.03Å; S795-K798 WeakPolarHBondContact O-CG 3.01Å; N796-K798 PolarHBondContact O-N 2.87Å; K798-M802 VanDerWaalsContact O-CB 3.31Å; K798-M802 WeakPolarHBondContact O-CB 3.5Å; K798-M802 PolarHBondContact O-N 3.1Å; K798-M802 VanDerWaalsContact O-N 3.1Å
799	I	87.8	Confident	88.6	Confident	54 Å²	54	52.3 Å²	52.3	28%	0.277	28%	0.283	S	S	.	.	H	α-helix	trans	-65.4	-46.8	179.7	-55.9	-56.9	0	0	0	111.5	L573 L635 Y797 M802 C803	L573-I799 HydrophobicContact CD2-CG2 4.12Å; L635-I799 HydrophobicContact CB-CG2 4.08Å; L635-I799 VanDerWaalsContact O-CG2 3.27Å; L635-I799 WeakPolarHBondContact O-CG2 3.13Å; Y797-I799 VanDerWaalsContact C-N 3.27Å; Y797-I799 PolarHBondContact O-N 3.47Å; Y797-I799 VanDerWaalsContact O-N 3.11Å; I799-M802 HydrophobicContact CD1-CE 4.25Å; I799-M802 PolarHBondContact O-N 2.97Å; I799-C803 PolarHBondContact O-N 3.15Å; I799-C803 PolarHBondContact O-SG 3.14Å
800	I	89.5	Confident	88.8	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.092	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-46.5	-179.3	-62.5	161.1	0	0	0	110.3	L573 E579 Y797 M802 C803 F804	L573-I800 HydrophobicContact CD1-CD1 4.06Å; L573-I800 HydrophobicContact CD1-CG1 4.39Å; L573-I800 HydrophobicContact CD2-CG1 4.06Å; E579-I800 HydrophobicContact CB-CD1 4.19Å; E579-I800 VanDerWaalsContact OE2-CD1 3.29Å; E579-I800 WeakPolarHBondContact OE2-CD1 3.33Å; Y797-I800 HydrophobicContact CD1-CD1 3.95Å; Y797-I800 HydrophobicContact CG-CD1 4.4Å; Y797-I800 PolarHBondContact O-N 3.36Å; I800-M802 PolarHBondContact O-N 2.97Å; I800-C803 WeakPolarHBondContact O-CB 3.15Å; I800-C803 PolarHBondContact O-N 2.97Å; I800-F804 HydrophobicContact CG2-CD2 3.72Å; I800-F804 HydrophobicContact CG2-CE2 3.68Å; I800-F804 WeakPolarHBondContact O-CD2 3.18Å; I800-F804 PolarHBondContact O-N 2.56Å
801	T	89.9	Confident	89	Confident	20 Å²	20	48.1 Å²	48.1	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-54.2	-41.6	174.3	-59	0	0	0	0	111.8	F788 I791 Y797 S805	F788-T801 HydrophobicContact CD2-CG2 4.13Å; F788-T801 HydrophobicContact CE2-CG2 4.26Å; I791-T801 HydrophobicContact CB-CG2 4.07Å; I791-T801 HydrophobicContact CG2-CG2 3.58Å; Y797-T801 PolarHBondContact O-N 3.33Å; Y797-T801 PolarHBondContact O-OG1 2.88Å; T801-S805 VanDerWaalsContact O-CB 3.29Å; T801-S805 WeakPolarHBondContact O-CB 3.43Å; T801-S805 PolarHBondContact O-N 2.79Å; T801-S805 PolarHBondContact O-OG 3.22Å
802	M	89.4	Confident	89.1	Confident	4 Å²	4	45 Å²	45	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-71.2	-42.8	-179.6	-168.4	156.6	53.6	0	0	112.4	L635 I651 F788 Y792 K798 I799 I800 F804 S805 V806	L635-M802 HydrophobicContact CD2-CB 4.04Å; L635-M802 HydrophobicContact CD2-CE 3.86Å; L635-M802 HydrophobicContact CD2-CG 3.87Å; I651-M802 HydrophobicContact CD1-CE 3.56Å; I651-M802 HydrophobicContact CD1-CG 4.4Å; I651-M802 HydrophobicContact CD1-SD 3.51Å; I651-M802 VanDerWaalsContact CD1-SD 3.51Å; I651-M802 HydrophobicContact CG1-CE 4.46Å; I651-M802 HydrophobicContact CG1-CG 4.34Å; I651-M802 HydrophobicContact CG1-SD 3.98Å; I651-M802 HydrophobicContact CG2-CG 4.5Å; I651-M802 HydrophobicContact CG2-SD 4Å; F788-M802 HydrophobicContact CE2-CB 4.25Å; F788-M802 HydrophobicContact CE2-CG 4.4Å; F788-M802 HydrophobicContact CZ-CG 4.44Å; Y792-M802 HydrophobicContact CE2-CB 4.49Å; Y792-M802 HydrophobicContact CE2-CE 4.24Å; Y792-M802 HydrophobicContact CE2-SD 4.09Å; K798-M802 VanDerWaalsContact O-CB 3.31Å; K798-M802 WeakPolarHBondContact O-CB 3.5Å; K798-M802 PolarHBondContact O-N 3.1Å; K798-M802 VanDerWaalsContact O-N 3.1Å; I799-M802 HydrophobicContact CD1-CE 4.25Å; I799-M802 PolarHBondContact O-N 2.97Å; I800-M802 PolarHBondContact O-N 2.97Å; M802-F804 PolarHBondContact O-N 2.8Å; M802-S805 PolarHBondContact O-N 2.99Å; M802-V806 WeakPolarHBondContact O-CG2 3.43Å; M802-V806 PolarHBondContact O-N 3.49Å
803	C	90.4	Very high	89.2	Confident	1 Å²	1	45 Å²	45	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-54	-52.2	172	-72.7	0	0	0	0	112.4	A583 T632 L635 I799 I800 S807	A583-C803 HydrophobicContact CB-CB 4.26Å; T632-C803 HydrophobicContact CG2-CB 3.99Å; L635-C803 WeakPolarHBondContact CB-SG 3.31Å; I799-C803 PolarHBondContact O-N 3.15Å; I799-C803 PolarHBondContact O-SG 3.14Å; I800-C803 WeakPolarHBondContact O-CB 3.15Å; I800-C803 PolarHBondContact O-N 2.97Å; C803-S807 VanDerWaalsContact O-CB 3.28Å; C803-S807 WeakPolarHBondContact O-CB 3.47Å; C803-S807 PolarHBondContact O-N 3.29Å; C803-S807 VanDerWaalsContact O-N 3.1Å; C803-S807 PolarHBondContact O-OG 3.32Å
804	F	91.1	Very high	89.4	Confident	64 Å²	64	40.8 Å²	40.8	28%	0.281	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-42.6	179.3	-81.8	-69	0	0	0	112	A582 A583 I800 M802 S807 L808	A582-F804 HydrophobicContact CB-CZ 4.04Å; A583-F804 HydrophobicContact CB-CD2 4.41Å; A583-F804 HydrophobicContact CB-CE1 4.27Å; A583-F804 HydrophobicContact CB-CE2 3.92Å; A583-F804 HydrophobicContact CB-CZ 3.84Å; I800-F804 HydrophobicContact CG2-CD2 3.72Å; I800-F804 HydrophobicContact CG2-CE2 3.68Å; I800-F804 WeakPolarHBondContact O-CD2 3.18Å; I800-F804 PolarHBondContact O-N 2.56Å; M802-F804 PolarHBondContact O-N 2.8Å; F804-S807 PolarHBondContact O-N 3.03Å; F804-L808 HydrophobicContact CB-CD1 4.45Å; F804-L808 VanDerWaalsContact O-CB 3.25Å; F804-L808 WeakPolarHBondContact O-CB 3.45Å; F804-L808 WeakPolarHBondContact O-CD1 3.49Å; F804-L808 WeakPolarHBondContact O-CG 2.98Å; F804-L808 PolarHBondContact O-N 3.23Å
805	S	90.8	Very high	89.7	Confident	14 Å²	14	39 Å²	39	10%	0.098	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-43.4	-176.1	-59.1	0	0	0	0	112.8	F788 T801 M802 S809	F788-S805 WeakPolarHBondContact CD2-OG 3.33Å; T801-S805 VanDerWaalsContact O-CB 3.29Å; T801-S805 WeakPolarHBondContact O-CB 3.43Å; T801-S805 PolarHBondContact O-N 2.79Å; T801-S805 PolarHBondContact O-OG 3.22Å; M802-S805 PolarHBondContact O-N 2.99Å; S805-S809 WeakPolarHBondContact O-CB 3.19Å; S805-S809 PolarHBondContact O-N 3.29Å; S805-S809 VanDerWaalsContact O-N 3.1Å
806	V	91	Very high	90	Very high	9 Å²	9	39 Å²	39	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-47.6	174.3	173.7	0	0	0	0	110.4	W785 M802 L808 S809 A810	W785-V806 HydrophobicContact CH2-CG2 4.26Å; M802-V806 WeakPolarHBondContact O-CG2 3.43Å; M802-V806 PolarHBondContact O-N 3.49Å; V806-L808 PolarHBondContact O-N 2.89Å; V806-S809 PolarHBondContact O-N 3.46Å; V806-A810 PolarHBondContact O-N 3.26Å
807	S	92.9	Very high	90.3	Very high	1 Å²	1	32 Å²	32	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-42.7	-178.9	-56.1	0	0	0	0	112.3	T632 C803 F804 A810 T811	T632-S807 PolarHBondContact OG1-OG 3.24Å; C803-S807 VanDerWaalsContact O-CB 3.28Å; C803-S807 WeakPolarHBondContact O-CB 3.47Å; C803-S807 PolarHBondContact O-N 3.29Å; C803-S807 VanDerWaalsContact O-N 3.1Å; C803-S807 PolarHBondContact O-OG 3.32Å; F804-S807 PolarHBondContact O-N 3.03Å; S807-A810 PolarHBondContact O-N 2.78Å; S807-T811 PolarHBondContact O-N 2.84Å; S807-T811 PolarHBondContact O-OG1 3.04Å
808	L	92.8	Very high	90.8	Very high	77 Å²	77	25.1 Å²	25.1	40%	0.403	14%	0.144	S	C	.	.	H	α-helix	trans	-63.2	-42.6	176.8	-77.2	164.4	0	0	0	111.6	F586 I784 F804 V806 A810 T811 V812	F586-L808 HydrophobicContact CE1-CD2 4.15Å; F586-L808 HydrophobicContact CE1-CG 4.17Å; F586-L808 HydrophobicContact CZ-CD2 3.85Å; F586-L808 HydrophobicContact CZ-CG 4.38Å; I784-L808 HydrophobicContact CD1-CB 4.39Å; F804-L808 HydrophobicContact CB-CD1 4.45Å; F804-L808 VanDerWaalsContact O-CB 3.25Å; F804-L808 WeakPolarHBondContact O-CB 3.45Å; F804-L808 WeakPolarHBondContact O-CD1 3.49Å; F804-L808 WeakPolarHBondContact O-CG 2.98Å; F804-L808 PolarHBondContact O-N 3.23Å; V806-L808 PolarHBondContact O-N 2.89Å; L808-A810 VanDerWaalsContact C-N 3.32Å; L808-A810 PolarHBondContact O-N 3.22Å; L808-T811 PolarHBondContact O-N 3.15Å; L808-V812 WeakPolarHBondContact O-CG2 3.49Å; L808-V812 PolarHBondContact O-N 3.4Å
809	S	91.9	Very high	90.9	Very high	8 Å²	8	24.6 Å²	24.6	6%	0.056	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-39.8	175.6	-175.1	0	0	0	0	111.8	Y659 W785 S805 V806 A813	Y659-S809 PolarHBondContact OH-OG 3.04Å; W785-S809 PolarHBondContact NE1-OG 2.84Å; W785-S809 VanDerWaalsContact NE1-OG 3.15Å; S805-S809 WeakPolarHBondContact O-CB 3.19Å; S805-S809 PolarHBondContact O-N 3.29Å; S805-S809 VanDerWaalsContact O-N 3.1Å; V806-S809 PolarHBondContact O-N 3.46Å; S809-A813 PolarHBondContact O-N 3.42Å; S809-A813 VanDerWaalsContact O-N 3.11Å
810	A	92.6	Very high	90.9	Very high	9 Å²	9	23.2 Å²	23.2	7%	0.074	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-43.9	173.9	0	0	0	0	0	112.3	I625 Y629 V806 S807 L808 V812 A813 L814	I625-A810 HydrophobicContact CG2-CB 4.32Å; Y629-A810 HydrophobicContact CD1-CB 4.44Å; Y629-A810 HydrophobicContact CE1-CB 3.91Å; Y629-A810 HydrophobicContact CE2-CB 4.08Å; V806-A810 PolarHBondContact O-N 3.26Å; S807-A810 PolarHBondContact O-N 2.78Å; L808-A810 VanDerWaalsContact C-N 3.32Å; L808-A810 PolarHBondContact O-N 3.22Å; A810-V812 PolarHBondContact O-N 2.83Å; A810-A813 PolarHBondContact O-N 3.23Å; A810-L814 WeakPolarHBondContact O-CB 3.24Å; A810-L814 PolarHBondContact O-N 3.23Å
811	T	94.5	Very high	90.7	Very high	48 Å²	48	23.3 Å²	23.3	29%	0.294	14%	0.142	S	C	.	.	H	α-helix	trans	-62	-41.6	177	-61	0	0	0	0	112	F586 Y629 S807 L808 L814 G815	F586-T811 HydrophobicContact CZ-CG2 4.19Å; F586-T811 WeakPolarHBondContact CZ-OG1 3.39Å; Y629-T811 WeakPolarHBondContact OH-CA 3.37Å; Y629-T811 PolarHBondContact OH-N 2.92Å; Y629-T811 VanDerWaalsContact OH-N 3.14Å; Y629-T811 PolarHBondContact OH-OG1 2.98Å; S807-T811 PolarHBondContact O-N 2.84Å; S807-T811 PolarHBondContact O-OG1 3.04Å; L808-T811 PolarHBondContact O-N 3.15Å; T811-L814 PolarHBondContact O-N 3.16Å; T811-G815 PolarHBondContact O-N 2.99Å
812	V	93.8	Very high	90.6	Very high	26 Å²	26	22.8 Å²	22.8	16%	0.158	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-43.2	174.8	166	0	0	0	0	111.4	T777 T780 T781 I784 L808 A810 C816	T777-V812 HydrophobicContact CG2-CG1 4.37Å; T780-V812 HydrophobicContact CG2-CB 4.42Å; T780-V812 HydrophobicContact CG2-CG1 3.69Å; T780-V812 HydrophobicContact CG2-CG2 3.81Å; T781-V812 HydrophobicContact CG2-CG1 3.96Å; I784-V812 HydrophobicContact CD1-CB 4.47Å; I784-V812 HydrophobicContact CD1-CG2 3.84Å; L808-V812 WeakPolarHBondContact O-CG2 3.49Å; L808-V812 PolarHBondContact O-N 3.4Å; A810-V812 PolarHBondContact O-N 2.83Å; V812-C816 VanDerWaalsContact O-CB 3.23Å; V812-C816 WeakPolarHBondContact O-CB 3.21Å; V812-C816 PolarHBondContact O-N 3.3Å; V812-C816 PolarHBondContact O-SG 2.77Å
813	A	90	Very high	90.5	Very high	12 Å²	12	29.1 Å²	29.1	10%	0.099	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-43.5	176.5	0	0	0	0	0	112.3	I625 T777 S809 A810 M817	I625-A813 HydrophobicContact CD1-CB 3.89Å; I625-A813 HydrophobicContact CG1-CB 4.33Å; T777-A813 HydrophobicContact CG2-CB 4.49Å; S809-A813 PolarHBondContact O-N 3.42Å; S809-A813 VanDerWaalsContact O-N 3.11Å; A810-A813 PolarHBondContact O-N 3.23Å; A813-M817 WeakPolarHBondContact O-CB 3.22Å; A813-M817 PolarHBondContact O-N 3.07Å
814	L	92.5	Very high	90.2	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-52.7	177.4	-170.4	67.8	0	0	0	111.5	A593 V597 L622 I625 A810 T811 F818 V819	A593-L814 HydrophobicContact CB-CD2 3.74Å; V597-L814 HydrophobicContact CB-CD1 4.17Å; V597-L814 HydrophobicContact CG1-CD1 4.2Å; V597-L814 HydrophobicContact CG2-CD1 3.99Å; L622-L814 HydrophobicContact CD2-CD1 3.92Å; I625-L814 HydrophobicContact CD1-CB 4.36Å; A810-L814 WeakPolarHBondContact O-CB 3.24Å; A810-L814 PolarHBondContact O-N 3.23Å; T811-L814 PolarHBondContact O-N 3.16Å; L814-F818 HydrophobicContact CD1-CB 4.36Å; L814-F818 HydrophobicContact CD1-CD2 4.46Å; L814-F818 WeakPolarHBondContact O-CB 3.29Å; L814-F818 PolarHBondContact O-N 3.15Å; L814-V819 PolarHBondContact O-N 3.15Å
815	G	91.6	Very high	89.9	Confident	33 Å²	33	28.8 Å²	28.8	34%	0.34	16%	0.164	S	C	.	.	H	α-helix	trans	-61.8	-53.9	-176.6	0	0	0	0	0	113.1	T811 M817 V819 P820	T811-G815 PolarHBondContact O-N 2.99Å; G815-M817 PolarHBondContact O-N 3.41Å; G815-V819 WeakPolarHBondContact O-CB 3.46Å; G815-P820 WeakPolarHBondContact O-CD 3.34Å
816	C	90.1	Very high	89.6	Confident	26 Å²	26	31.8 Å²	31.8	18%	0.176	18%	0.179	C	C	.	.	H	α-helix	trans	-75.3	-27.1	-173.2	-63.4	0	0	0	0	113.5	Y773 F776 T777 V812	Y773-C816 WeakPolarHBondContact CB-O 3.24Å; F776-C816 HydrophobicContact CD1-CB 4.11Å; F776-C816 VanDerWaalsContact CE1-SG 3.6Å; T777-C816 HydrophobicContact CG2-CB 4.31Å; T777-C816 WeakPolarHBondContact OG1-CB 3.29Å; V812-C816 VanDerWaalsContact O-CB 3.23Å; V812-C816 WeakPolarHBondContact O-CB 3.21Å; V812-C816 PolarHBondContact O-N 3.3Å; V812-C816 PolarHBondContact O-SG 2.77Å
817	M	86.7	Confident	89.3	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-105.8	-33.1	-171.6	-164.9	-179.4	167.2	0	0	114.5	I621 L662 K665 I774 A813 G815	I621-M817 HydrophobicContact CD1-CE 3.91Å; I621-M817 HydrophobicContact CD1-SD 4.41Å; L662-M817 HydrophobicContact CD1-CE 3.62Å; L662-M817 HydrophobicContact CD1-SD 3.74Å; K665-M817 HydrophobicContact CD-CE 3.88Å; I774-M817 HydrophobicContact CD1-CE 4.38Å; I774-M817 HydrophobicContact CG1-CE 4.22Å; I774-M817 HydrophobicContact CG1-CG 4.44Å; A813-M817 WeakPolarHBondContact O-CB 3.22Å; A813-M817 PolarHBondContact O-N 3.07Å; G815-M817 PolarHBondContact O-N 3.41Å
818	F	90.3	Very high	88.9	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.009	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-37.8	-174.4	-70.2	-96.5	0	0	0	113.9	V597 F601 C618 I621 L622 I625 L814 K821 V822	V597-F818 HydrophobicContact CG1-CB 3.8Å; V597-F818 HydrophobicContact CG1-CD1 3.85Å; V597-F818 HydrophobicContact CG1-CG 4.07Å; F601-F818 HydrophobicContact CE1-CD1 4.19Å; F601-F818 HydrophobicContact CE1-CE1 4.21Å; F601-F818 HydrophobicContact CE2-CD1 4.08Å; F601-F818 AromaticContact CZ-CD1 3.75Å; F601-F818 HydrophobicContact CZ-CD1 3.75Å; F601-F818 HydrophobicContact CZ-CE1 4.23Å; C618-F818 HydrophobicContact CB-CE1 4.13Å; C618-F818 HydrophobicContact CB-CZ 4.38Å; I621-F818 HydrophobicContact CB-CE2 4.47Å; I621-F818 HydrophobicContact CB-CZ 4.19Å; I621-F818 HydrophobicContact CG2-CE2 3.72Å; I621-F818 HydrophobicContact CG2-CZ 3.94Å; L622-F818 HydrophobicContact CD1-CD1 4.43Å; L622-F818 HydrophobicContact CD1-CE1 3.89Å; L622-F818 HydrophobicContact CD1-CZ 4.45Å; L622-F818 HydrophobicContact CD2-CD1 4.14Å; L622-F818 HydrophobicContact CD2-CE1 3.95Å; L622-F818 HydrophobicContact CD2-CE2 4.34Å; L622-F818 HydrophobicContact CD2-CG 4.42Å; L622-F818 HydrophobicContact CD2-CZ 4.05Å; L622-F818 HydrophobicContact CG-CD1 4.43Å; L622-F818 HydrophobicContact CG-CE1 3.78Å; L622-F818 HydrophobicContact CG-CZ 3.87Å; I625-F818 HydrophobicContact CD1-CE2 4.38Å; L814-F818 HydrophobicContact CD1-CB 4.36Å; L814-F818 HydrophobicContact CD1-CD2 4.46Å; L814-F818 WeakPolarHBondContact O-CB 3.29Å; L814-F818 PolarHBondContact O-N 3.15Å; F818-K821 WeakPolarHBondContact O-CA 3.17Å; F818-K821 WeakPolarHBondContact O-CB 3.45Å; F818-K821 PolarHBondContact O-N 3.28Å; F818-V822 PolarHBondContact O-N 3.45Å
819	V	89.7	Confident	88.1	Confident	77 Å²	77	37 Å²	37	47%	0.467	21%	0.214	S	C	.	.	H	α-helix	trans	-56.9	-42	179.2	-179.5	0	0	0	0	112.5	L814 G815 K821 V822 Y823	L814-V819 PolarHBondContact O-N 3.15Å; G815-V819 WeakPolarHBondContact O-CB 3.46Å; V819-K821 PolarHBondContact O-N 2.9Å; V819-K821 VanDerWaalsContact O-N 3.16Å; V819-V822 PolarHBondContact O-N 3.44Å; V819-Y823 VanDerWaalsContact O-CB 3.3Å; V819-Y823 WeakPolarHBondContact O-CB 3.39Å; V819-Y823 PolarHBondContact O-N 3.47Å
820	P	87	Confident	87.3	Confident	25 Å²	25	41.8 Å²	41.8	16%	0.162	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-26.4	174	-25.2	35.2	0	0	0	114.3	Y773 G815 I824	Y773-P820 HydrophobicContact CD1-CB 4.31Å; Y773-P820 HydrophobicContact CD1-CG 3.77Å; Y773-P820 HydrophobicContact CD2-CB 4.17Å; Y773-P820 HydrophobicContact CD2-CG 4.43Å; Y773-P820 HydrophobicContact CE1-CB 3.97Å; Y773-P820 HydrophobicContact CE1-CG 3.64Å; Y773-P820 HydrophobicContact CE2-CB 3.81Å; Y773-P820 HydrophobicContact CE2-CG 4.32Å; Y773-P820 HydrophobicContact CG-CB 4.43Å; Y773-P820 HydrophobicContact CG-CG 4.19Å; G815-P820 WeakPolarHBondContact O-CD 3.34Å; P820-I824 WeakPolarHBondContact O-CD1 3.43Å; P820-I824 VanDerWaalsContact O-CG1 3.32Å; P820-I824 WeakPolarHBondContact O-CG1 3.47Å; P820-I824 PolarHBondContact O-N 3.04Å
821	K	85.9	Confident	86.2	Confident	20 Å²	20	49.5 Å²	49.5	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-82	-44.9	176.4	-62.4	-175.6	177.9	-112.3	0	111.6	F601 V609 S613 E770 F818 V819 Y823 I824 I825	F601-K821 HydrophobicContact CE2-CB 4.45Å; F601-K821 HydrophobicContact CZ-CB 4.09Å; F601-K821 HydrophobicContact CZ-CD 4.04Å; V609-K821 HydrophobicContact CG1-CB 4.32Å; S613-K821 PolarHBondContact OG-NZ 2.69Å; E770-K821 WeakPolarHBondContact OE1-CE 3.3Å; E770-K821 IonicContact OE1-NZ 2.64Å; E770-K821 PolarHBondContact OE1-NZ 3.19Å; E770-K821 IonicContact OE2-NZ 3.79Å; E770-K821 PolarHBondContact OE2-NZ 3.11Å; F818-K821 WeakPolarHBondContact O-CA 3.17Å; F818-K821 WeakPolarHBondContact O-CB 3.45Å; F818-K821 PolarHBondContact O-N 3.28Å; V819-K821 PolarHBondContact O-N 2.9Å; V819-K821 VanDerWaalsContact O-N 3.16Å; K821-Y823 VanDerWaalsContact C-N 3.28Å; K821-Y823 PolarHBondContact O-N 3.31Å; K821-I824 PolarHBondContact O-N 3.27Å; K821-I824 VanDerWaalsContact O-N 3.16Å; K821-I825 WeakPolarHBondContact O-CG1 3.46Å; K821-I825 PolarHBondContact O-N 3.44Å
822	V	88.2	Confident	85.1	Confident	10 Å²	10	48.2 Å²	48.2	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-39.7	175.1	173.3	0	0	0	0	110.8	F596 V597 V600 F601 F818 V819 I824 I825 L826	F596-V822 HydrophobicContact CE1-CG1 3.96Å; F596-V822 HydrophobicContact CZ-CG1 4.43Å; V597-V822 HydrophobicContact CG1-CG2 4.19Å; V597-V822 HydrophobicContact CG2-CG2 4.18Å; V600-V822 HydrophobicContact CG1-CG1 4.31Å; V600-V822 HydrophobicContact CG1-CG2 4.28Å; F601-V822 HydrophobicContact CD2-CG2 4.34Å; F601-V822 HydrophobicContact CE2-CG2 3.89Å; F818-V822 PolarHBondContact O-N 3.45Å; V819-V822 PolarHBondContact O-N 3.44Å; V822-I824 PolarHBondContact O-N 2.92Å; V822-I825 PolarHBondContact O-N 3.34Å; V822-I825 VanDerWaalsContact O-N 3.14Å; V822-L826 HydrophobicContact CG1-CD1 3.67Å; V822-L826 HydrophobicContact CG1-CG 4.21Å; V822-L826 PolarHBondContact O-N 2.66Å
823	Y	86.8	Confident	84.2	Confident	137 Å²	137	50.2 Å²	50.2	54%	0.537	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-42	173.6	-176	-100	0	0	0	112.7	V819 K821 A827 K828	V819-Y823 VanDerWaalsContact O-CB 3.3Å; V819-Y823 WeakPolarHBondContact O-CB 3.39Å; V819-Y823 PolarHBondContact O-N 3.47Å; K821-Y823 VanDerWaalsContact C-N 3.28Å; K821-Y823 PolarHBondContact O-N 3.31Å; Y823-A827 HydrophobicContact CD2-CB 3.75Å; Y823-A827 HydrophobicContact CE2-CB 3.66Å; Y823-A827 HydrophobicContact CG-CB 4.37Å; Y823-A827 CarbonylContact O-C 3.49Å; Y823-A827 WeakPolarHBondContact O-CA 3.39Å; Y823-A827 WeakPolarHBondContact O-CB 3.49Å; Y823-A827 PolarHBondContact O-N 3.34Å; Y823-K828 HydrophobicContact CD1-CG 4.44Å; Y823-K828 HydrophobicContact CE1-CG 3.8Å; Y823-K828 PolarHBondContact O-N 2.96Å
824	I	83.3	Confident	82.8	Confident	49 Å²	49	59.4 Å²	59.4	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-68.8	-34.2	174.7	-66.6	166.8	0	0	0	111.9	V609 P820 K821 V822 K828 R831	V609-I824 HydrophobicContact CG2-CG2 3.9Å; P820-I824 WeakPolarHBondContact O-CD1 3.43Å; P820-I824 VanDerWaalsContact O-CG1 3.32Å; P820-I824 WeakPolarHBondContact O-CG1 3.47Å; P820-I824 PolarHBondContact O-N 3.04Å; K821-I824 PolarHBondContact O-N 3.27Å; K821-I824 VanDerWaalsContact O-N 3.16Å; V822-I824 PolarHBondContact O-N 2.92Å; I824-K828 CarbonylContact O-C 3.45Å; I824-R831 HydrophobicContact CG2-CB 4.11Å
825	I	84.9	Confident	81	Confident	9 Å²	9	63.4 Å²	63.4	5%	0.046	33%	0.327	C	S	.	.	H	α-helix	trans	-72.6	-41.6	179.8	-67.9	162.8	0	0	0	111.6	V600 F601 Y604 V609 V610 K821 V822	V600-I825 HydrophobicContact CG1-CG2 4.04Å; F601-I825 HydrophobicContact CE2-CD1 4.39Å; Y604-I825 HydrophobicContact CD1-CG2 4.39Å; Y604-I825 HydrophobicContact CD2-CG2 3.91Å; Y604-I825 HydrophobicContact CG-CG2 3.81Å; V609-I825 HydrophobicContact CB-CG1 4.35Å; V609-I825 HydrophobicContact CG1-CD1 4.24Å; V609-I825 HydrophobicContact CG1-CG1 4.27Å; V610-I825 HydrophobicContact CG2-CD1 3.76Å; K821-I825 WeakPolarHBondContact O-CG1 3.46Å; K821-I825 PolarHBondContact O-N 3.44Å; V822-I825 PolarHBondContact O-N 3.34Å; V822-I825 VanDerWaalsContact O-N 3.14Å
826	L	85.6	Confident	79.4	Confident	77 Å²	77	64.1 Å²	64.1	40%	0.403	33%	0.33	S	S	.	.	H	α-helix	trans	-98.9	-49.8	-172.8	-60.5	-179.9	0	0	0	114	F596 V600 Y604 V822	F596-L826 HydrophobicContact CZ-CD1 3.87Å; V600-L826 HydrophobicContact CG1-CD2 4.46Å; V600-L826 HydrophobicContact CG1-CG 4.47Å; V600-L826 HydrophobicContact CG2-CD1 4.13Å; Y604-L826 HydrophobicContact CE2-CD2 3.94Å; V822-L826 HydrophobicContact CG1-CD1 3.67Å; V822-L826 HydrophobicContact CG1-CG 4.21Å; V822-L826 PolarHBondContact O-N 2.66Å
827	A	84.8	Confident	77.8	Confident	50 Å²	50	66 Å²	66	41%	0.413	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-16.3	-171.8	0	0	0	0	0	113.9	Y823 P829	Y823-A827 HydrophobicContact CD2-CB 3.75Å; Y823-A827 HydrophobicContact CE2-CB 3.66Å; Y823-A827 HydrophobicContact CG-CB 4.37Å; Y823-A827 CarbonylContact O-C 3.49Å; Y823-A827 WeakPolarHBondContact O-CA 3.39Å; Y823-A827 WeakPolarHBondContact O-CB 3.49Å; Y823-A827 PolarHBondContact O-N 3.34Å; A827-P829 VanDerWaalsContact C-CD 3.49Å
828	K	83.1	Confident	76.1	Confident	72 Å²	72	69.8 Å²	69.8	31%	0.313	36%	0.358	S	S	.	.			trans	-134.2	51	-180	-74.1	-70.7	139.6	-142.3	0	114	Y823 I824 E830 R831	Y823-K828 HydrophobicContact CD1-CG 4.44Å; Y823-K828 HydrophobicContact CE1-CG 3.8Å; Y823-K828 PolarHBondContact O-N 2.96Å; I824-K828 CarbonylContact O-C 3.45Å; K828-E830 WeakPolarHBondContact CA-OE2 3.16Å; K828-E830 WeakPolarHBondContact CD-OE1 3.38Å; K828-E830 WeakPolarHBondContact CE-OE1 3.07Å; K828-E830 IonicContact NZ-OE1 3.36Å; K828-E830 PolarHBondContact NZ-OE1 3.45Å; K828-E830 IonicContact NZ-OE2 2.7Å; K828-E830 PolarHBondContact O-N 2.98Å; K828-E830 VanDerWaalsContact O-N 3.11Å; K828-R831 PolarHBondContact O-N 3.29Å
829	P	77.6	Confident	74.2	Confident	75 Å²	75	75.4 Å²	75.4	49%	0.487	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-60.5	-22.2	-176.1	27.8	-36.4	0	0	0	113.8	A827 R831 N832	A827-P829 VanDerWaalsContact C-CD 3.49Å; P829-R831 PolarHBondContact O-N 2.04Å; P829-R831 VanDerWaalsContact O-N 3.14Å; P829-N832 VanDerWaalsContact O-CB 3.26Å; P829-N832 WeakPolarHBondContact O-CB 3.06Å; P829-N832 PolarHBondContact O-N 2.92Å
830	E	74.1	Confident	72	Confident	108 Å²	108	76.6 Å²	76.6	51%	0.505	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.2	174.1	73.9	-86.5	-148.2	0	0	113.1	K828	K828-E830 WeakPolarHBondContact CA-OE2 3.16Å; K828-E830 WeakPolarHBondContact CD-OE1 3.38Å; K828-E830 WeakPolarHBondContact CE-OE1 3.07Å; K828-E830 IonicContact NZ-OE1 3.36Å; K828-E830 PolarHBondContact NZ-OE1 3.45Å; K828-E830 IonicContact NZ-OE2 2.7Å; K828-E830 PolarHBondContact O-N 2.98Å; K828-E830 VanDerWaalsContact O-N 3.11Å
831	R	69.4	Low	69.8	Low	170 Å²	170	82 Å²	82	64%	0.642	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-93	-0.3	173.8	-70.7	-178	167.1	-179.3	-4.2	113.8	I824 K828 P829 V833	I824-R831 HydrophobicContact CG2-CB 4.11Å; K828-R831 PolarHBondContact O-N 3.29Å; P829-R831 PolarHBondContact O-N 2.04Å; P829-R831 VanDerWaalsContact O-N 3.14Å; R831-V833 PolarHBondContact O-N 3.2Å
832	N	72.3	Confident	67.6	Low	22 Å²	22	87.4 Å²	87.4	12%	0.118	47%	0.472	C	S	.	.			trans	-89.1	30.4	-178.3	-158.2	0.7	0	0	0	112.8	T607 P608 V609 P829	T607-N832 WeakPolarHBondContact CB-ND2 3.15Å; T607-N832 WeakPolarHBondContact CG2-ND2 3.28Å; P608-N832 WeakPolarHBondContact CD-O 3.25Å; P608-N832 VanDerWaalsContact CG-O 3.24Å; P608-N832 WeakPolarHBondContact CG-O 3.46Å; V609-N832 VanDerWaalsContact CG2-OD1 3.26Å; V609-N832 WeakPolarHBondContact CG2-OD1 3.25Å; V609-N832 PolarHBondContact N-OD1 2.77Å; P829-N832 VanDerWaalsContact O-CB 3.26Å; P829-N832 WeakPolarHBondContact O-CB 3.06Å; P829-N832 PolarHBondContact O-N 2.92Å
833	V	74.1	Confident	65.1	Low	67 Å²	67	92.7 Å²	92.7	41%	0.406	50%	0.504	S	S	.	.			trans	-100.4	145.5	-175.2	-67.1	0	0	0	0	112.6	R831 S835 A836	R831-V833 PolarHBondContact O-N 3.2Å; V833-S835 VanDerWaalsContact C-N 3.27Å; V833-S835 WeakPolarHBondContact CG2-OG 3.18Å; V833-S835 PolarHBondContact O-N 3.49Å; V833-A836 HydrophobicContact CG2-CB 4.23Å; V833-A836 WeakPolarHBondContact O-CB 3.07Å; V833-A836 PolarHBondContact O-N 3.25Å
834	R	60.5	Low	62.5	Low	206 Å²	206	97.2 Å²	97.2	78%	0.777	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-62.5	-31.3	-174	-165.1	175	-173.6	170.1	0.5	113.4	P608 A836 F837	P608-R834 HydrophobicContact CG-CB 4.47Å; R834-A836 VanDerWaalsContact C-N 3.3Å; R834-A836 PolarHBondContact O-N 2.8Å; R834-F837 PolarHBondContact O-N 3.38Å
835	S	56.2	Low	60.1	Low	91 Å²	91	102.3 Å²	102.3	64%	0.636	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-62.6	-30.6	177.7	45.9	0	0	0	0	113.7	V833 F837 T838	V833-S835 VanDerWaalsContact C-N 3.27Å; V833-S835 WeakPolarHBondContact CG2-OG 3.18Å; V833-S835 PolarHBondContact O-N 3.49Å; S835-F837 PolarHBondContact O-N 3.23Å; S835-T838 PolarHBondContact O-N 3.06Å; S835-T838 PolarHBondContact O-OG1 2.94Å
836	A	57	Low	57.7	Low	49 Å²	49	110.3 Å²	110.3	41%	0.405	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-66.7	-16	179	0	0	0	0	0	113.5	V833 R834	V833-A836 HydrophobicContact CG2-CB 4.23Å; V833-A836 WeakPolarHBondContact O-CB 3.07Å; V833-A836 PolarHBondContact O-N 3.25Å; R834-A836 VanDerWaalsContact C-N 3.3Å; R834-A836 PolarHBondContact O-N 2.8Å
837	F	56.3	Low	55.3	Low	66 Å²	66	113 Å²	113	29%	0.289	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-113.3	3.6	-174.5	-65.3	-83.8	0	0	0	114.2	V609 F768 R834 S835	V609-F837 HydrophobicContact CG2-CE2 4.02Å; V609-F837 HydrophobicContact CG2-CZ 3.88Å; F768-F837 AromaticContact CE2-CD1 3.99Å; F768-F837 HydrophobicContact CE2-CD1 3.99Å; F768-F837 HydrophobicContact CZ-CD1 4.13Å; R834-F837 PolarHBondContact O-N 3.38Å; S835-F837 PolarHBondContact O-N 3.23Å
838	T	50.9	Low	52.7	Low	83 Å²	83	114.1 Å²	114.1	51%	0.509	62%	0.617	S	S	.	*			trans	-115.4	92.5	-175.5	51.6	0	0	0	0	112.8	S835 S840	S835-T838 PolarHBondContact O-N 3.06Å; S835-T838 PolarHBondContact O-OG1 2.94Å; T838-S840 PolarHBondContact O-N 2.76Å
839	T	51.4	Low	50.1	Low	121 Å²	121	118.8 Å²	118.8	74%	0.742	65%	0.645	S	S	*	*			trans	-88.7	82.6	177.3	53.7	0	0	0	0	112.5	N767	N767-T839 HydrophobicContact CB-CG2 4.44Å
840	S	43.3	Very low	47.8	Very low	101 Å²	101	118.5 Å²	118.5	71%	0.706	66%	0.656	S	S	*	*			trans	-155.5	69.9	168.7	62.5	0	0	0	0	112.5	T838	T838-S840 PolarHBondContact O-N 2.76Å
841	T	41.3	Very low	45.7	Very low	140 Å²	140	122.7 Å²	122.7	86%	0.859	67%	0.673	S	S	*	*			trans	-94	7.1	178.7	45.1	0	0	0	0	114.3
842	V	38.6	Very low	44	Very low	133 Å²	133	119.6 Å²	119.6	81%	0.806	68%	0.677	S	S	*	*			trans	-122.8	73.7	179.9	-169.2	0	0	0	0	111
843	V	36.8	Very low	42.2	Very low	120 Å²	120	123.6 Å²	123.6	73%	0.727	71%	0.707	S	S	*	*			trans	-133.1	82.6	152	-177.1	0	0	0	0	106.9	M845	V843-M845 HydrophobicContact CG1-CG 4.35Å; V843-M845 PolarHBondContact O-N 2.79Å
844	R	31.5	Very low	40.3	Very low	233 Å²	233	125.5 Å²	125.5	88%	0.879	72%	0.723	S	S	*	*			trans	-83.5	98.1	166.9	-170.1	177.7	-171.8	112.8	-0.4	107.2	H846	R844-H846 PolarHBondContact O-N 3.08Å
845	M	32.5	Very low	39	Very low	155 Å²	155	120.5 Å²	120.5	76%	0.764	73%	0.726	S	S	*	*			trans	-62.5	132.6	167.1	-72.8	-176.3	173.3	0	0	109.1	V843	V843-M845 HydrophobicContact CG1-CG 4.35Å; V843-M845 PolarHBondContact O-N 2.79Å
846	H	34.1	Very low	37.9	Very low	178 Å²	178	120.3 Å²	120.3	82%	0.824	73%	0.73	S	S	*	*			trans	-118.2	135.7	151.8	-125.9	135.7	0	0	0	105.5	R844	R844-H846 PolarHBondContact O-N 3.08Å
847	V	34.7	Very low	36.6	Very low	133 Å²	133	123.1 Å²	123.1	81%	0.806	75%	0.747	S	S	*	*			trans	-129.7	137	-178.7	178.1	0	0	0	0	107.8
848	G	31.3	Very low	35.3	Very low	73 Å²	73	131.8 Å²	131.8	75%	0.753	78%	0.777	S	S	*	*			trans	136.6	112.3	-163.5	0	0	0	0	0	107.5
849	D	28.1	Very low	34.2	Very low	171 Å²	171	133 Å²	133	91%	0.914	79%	0.789	S	S	*	*			cis	-141.8	170	6.5	-160.2	-9.9	0	0	0	110.3
850	G	29.2	Very low	33.3	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	78%	0.784	S	S	*	*			trans	133.8	64.7	172.3	0	0	0	0	0	117.2
851	K	30.8	Very low	33.3	Very low	195 Å²	195	131.3 Å²	131.3	85%	0.848	78%	0.782	S	S	*	*			trans	23.4	132.7	150.1	-93.9	175.7	178.2	171.1	0	121.8
852	S	33.9	Very low	32.9	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	78%	0.783	S	S	*	*			trans	95.5	117.8	137.8	-60.8	0	0	0	0	121.5
853	S	33.2	Very low	33	Very low	106 Å²	106	131 Å²	131	74%	0.741	77%	0.774	S	S	*	*			trans	84.8	93	133.7	-57.3	0	0	0	0	121.6
854	S	34.8	Very low	33.1	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	78%	0.776	S	S	*	*				63.2	101.5	121.7	65.3	0	0	0	0	121.9
855	A	33.8	Very low	33.1	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	78%	0.778	S	S	*	*				85.9	155.8	114.2	0	0	0	0	0	122.5
856	A	31.6	Very low	33.1	Very low	87 Å²	87	131.9 Å²	131.9	72%	0.719	78%	0.778	S	S	*	*			trans	73.4	85	156.4	0	0	0	0	0	120.9
857	S	29.9	Very low	33.1	Very low	109 Å²	109	129.8 Å²	129.8	76%	0.762	77%	0.767	S	S	*	*				57.6	145.3	108.7	-59.8	0	0	0	0	123.1
858	R	29	Very low	33.1	Very low	247 Å²	247	133.7 Å²	133.7	93%	0.932	77%	0.767	S	S	*	*			trans	69.4	160.7	159.4	-69.2	169.3	-178	177.6	0	115.7
859	S	28.6	Very low	33.1	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	77%	0.774	S	S	*	*			cis	-153.1	-175.8	-36.1	-161.2	0	0	0	0	109.6
860	S	32.2	Very low	33.1	Very low	93 Å²	93	137.2 Å²	137.2	65%	0.65	77%	0.769	S	S	*	*			trans	-62.1	148.7	176	54	0	0	0	0	115.8
861	S	44.7	Very low	33.2	Very low	94 Å²	94	139 Å²	139	66%	0.657	77%	0.771	S	S	*	*			trans	56.4	120.5	137.7	63.5	0	0	0	0	121.6
862	L	32.2	Very low	33.3	Very low	169 Å²	169	135.1 Å²	135.1	89%	0.885	77%	0.768	S	S	*	*			trans	-135.5	145.5	135.7	-72.9	177.6	0	0	0	107.6
863	V	39.8	Very low	33.1	Very low	99 Å²	99	133.8 Å²	133.8	60%	0.6	77%	0.771	S	S	*	*			cis	85.3	121.9	17.9	-175.6	0	0	0	0	114.8
864	N	38.9	Very low	33.1	Very low	144 Å²	144	137 Å²	137	77%	0.77	77%	0.774	S	S	*	*			trans	60.9	133.1	167	-62.9	-12.5	0	0	0	119.7
865	L	31	Very low	33	Very low	176 Å²	176	137.2 Å²	137.2	92%	0.921	77%	0.771	S	S	*	*				-155	-169.1	108.4	-124.4	125.2	0	0	0	111.5
866	W	33.2	Very low	33	Very low	205 Å²	205	138.5 Å²	138.5	78%	0.777	76%	0.764	S	S	*	*			trans	-142.9	154.3	-140.5	-147.1	52.3	0	0	0	114.1
867	K	33.7	Very low	33	Very low	134 Å²	134	144.2 Å²	144.2	58%	0.583	77%	0.767	S	S	*	*			trans	63.9	119.5	156.7	-91.3	-175.2	-177.4	165.5	0	122.3
868	R	34.5	Very low	33	Very low	215 Å²	215	146.9 Å²	146.9	81%	0.811	76%	0.761	S	S	*	*				73.5	119.4	122.2	-84.1	-175.3	178.5	-174.4	-0.9	123.1
869	R	32.4	Very low	33.3	Very low	240 Å²	240	142 Å²	142	91%	0.906	75%	0.746	S	S	*	*				103	108.7	114.6	-166.9	-173.5	-155.2	-173.8	5.8	119.6
870	G	27.6	Very low	33.5	Very low	78 Å²	78	141.2 Å²	141.2	80%	0.804	73%	0.734	S	S	*	*			trans	77.9	164.3	157.3	0	0	0	0	0	116.1
871	S	32.1	Very low	33.5	Very low	108 Å²	108	146.2 Å²	146.2	76%	0.755	74%	0.739	S	S	*	*			cis	-164.4	151.8	-22.4	-164.1	0	0	0	0	110.3
872	S	31.8	Very low	33	Very low	113 Å²	113	152.2 Å²	152.2	79%	0.79	75%	0.747	S	S	*	*			trans	62.9	129.6	154.4	-50.2	0	0	0	0	121.2
873	G	31.3	Very low	33	Very low	77 Å²	77	151.3 Å²	151.3	79%	0.794	74%	0.742	S	S	*	*			trans	84.6	151.4	152.5	0	0	0	0	0	117.8
874	E	32.3	Very low	32.8	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.804	75%	0.745	S	S	*	*			cis	-164.7	164.6	-16.6	-148.9	-175.5	156.2	0	0	111.1
875	T	32.9	Very low	32.4	Very low	113 Å²	113	151.8 Å²	151.8	69%	0.693	75%	0.747	S	S	*	*			trans	69.8	155.1	161.9	71.9	0	0	0	0	120.8
876	L	33.8	Very low	32.3	Very low	128 Å²	128	151.7 Å²	151.7	67%	0.67	74%	0.741	S	S	*	*			cis	-165.8	136.7	-27.7	-102.3	173.1	0	0	0	111.6
877	R	31.6	Very low	32.1	Very low	206 Å²	206	149.2 Å²	149.2	78%	0.777	74%	0.736	S	S	*	*			trans	57.9	169.3	145.6	-71.8	176.4	-171.2	178.4	6.3	119.2
878	Y	30.1	Very low	31.9	Very low	166 Å²	166	148.3 Å²	148.3	65%	0.651	75%	0.747	S	S	*	*			cis	-151.6	131.6	8	-142.5	-145.9	0	0	0	109
879	K	34	Very low	31.7	Very low	143 Å²	143	144.9 Å²	144.9	62%	0.622	74%	0.74	S	S	*	*				74.2	153.4	96.6	-101.3	-158.3	-168	174.8	0	118
880	D	33	Very low	31.5	Very low	93 Å²	93	141.6 Å²	141.6	50%	0.497	74%	0.738	S	S	.	*			cis	-160	168	-4.7	-150.4	-5.8	0	0	0	113.4
881	R	33.5	Very low	31.6	Very low	197 Å²	197	145.9 Å²	145.9	74%	0.743	74%	0.737	S	S	*	*			trans	63.8	137.1	156.4	-73.9	151.2	-165.6	-112.9	-8.4	120
882	R	33.3	Very low	31.3	Very low	221 Å²	221	145.3 Å²	145.3	83%	0.834	73%	0.732	S	S	*	*			cis	81.6	147	44.9	-69.6	-171.7	-168	-156.7	5.7	113.1
883	L	33.1	Very low	31	Very low	149 Å²	149	149.1 Å²	149.1	78%	0.78	74%	0.735	S	S	*	*			cis	-155.8	-167.6	9.4	-128.3	165.5	0	0	0	111.7
884	A	33.9	Very low	30.9	Very low	79 Å²	79	150.9 Å²	150.9	65%	0.653	73%	0.73	S	S	*	*			trans	-73.8	-177.5	174.2	0	0	0	0	0	112.7
885	Q	32.5	Very low	31.1	Very low	175 Å²	175	148.7 Å²	148.7	82%	0.818	73%	0.731	S	S	*	*			cis	-165.7	167.1	33.7	-147.6	165.8	-23.3	0	0	108.8
886	H	27.8	Very low	31	Very low	173 Å²	173	153.3 Å²	153.3	80%	0.801	74%	0.741	S	S	*	*				171	-173.5	92.1	-147.6	-102.2	0	0	0	112.9
887	K	29.7	Very low	30.7	Very low	154 Å²	154	150.5 Å²	150.5	67%	0.67	74%	0.744	S	S	*	*			trans	-137.9	147	-167.3	-180	-150.1	174.4	-152	0	113.2	E889	K887-E889 WeakPolarHBondContact CE-OE2 3.22Å; K887-E889 IonicContact NZ-OE2 3.64Å; K887-E889 PolarHBondContact NZ-OE2 3.01Å
888	S	28.1	Very low	30.4	Very low	115 Å²	115	146.6 Å²	146.6	80%	0.804	75%	0.748	S	S	*	*			trans	-169.1	157.3	150.9	53.6	0	0	0	0	114.5
889	E	30.1	Very low	30.4	Very low	143 Å²	143	147.5 Å²	147.5	67%	0.668	76%	0.761	S	S	*	*			trans	-109.3	174.4	177.1	-63.2	137.4	90.3	0	0	111.4	K887	K887-E889 WeakPolarHBondContact CE-OE2 3.22Å; K887-E889 IonicContact NZ-OE2 3.64Å; K887-E889 PolarHBondContact NZ-OE2 3.01Å
890	I	29.9	Very low	30.1	Very low	170 Å²	170	144.2 Å²	144.2	87%	0.872	77%	0.767	S	S	*	*			trans	163.2	154.4	143.4	-87.1	158.6	0	0	0	112.2
891	E	29.2	Very low	29.9	Very low	169 Å²	169	148.2 Å²	148.2	79%	0.79	79%	0.789	S	S	*	*			trans	-109.2	-162.6	178.8	-56.3	-167.6	167.3	0	0	112
892	C	25.8	Very low	29.6	Very low	95 Å²	95	142.3 Å²	142.3	64%	0.642	79%	0.789	S	S	*	*			cis	-165.1	-164.4	11	-154.8	0	0	0	0	111.7
893	F	26.2	Very low	29.3	Very low	193 Å²	193	135.5 Å²	135.5	85%	0.846	79%	0.788	S	S	*	*			trans	82.4	159.5	160.7	-92.9	-80.4	0	0	0	121.6
894	T	28.6	Very low	29.1	Very low	114 Å²	114	140.2 Å²	140.2	70%	0.699	80%	0.795	S	S	*	*			trans	-110.8	175.3	-158	59.9	0	0	0	0	114.3
895	P	36.9	Very low	28.7	Very low	127 Å²	127	140.6 Å²	140.6	83%	0.825	80%	0.798	S	S	*	*				-140.5	170.3	115.9	39.3	-28.6	0	0	0	116.8
896	K	29.2	Very low	28.5	Very low	209 Å²	209	138.2 Å²	138.2	91%	0.909	80%	0.796	S	S	*	*			trans	-79	167.8	166.3	-56.5	169.4	-178.5	175	0	109.9
897	G	27.8	Very low	28.3	Very low	70 Å²	70	138.1 Å²	138.1	72%	0.722	80%	0.798	S	S	*	*			cis	148.2	175.6	-2.5	0	0	0	0	0	112.4
898	S	26.5	Very low	28.1	Very low	123 Å²	123	135 Å²	135	86%	0.86	80%	0.795	S	S	*	*			trans	85.4	157.1	166.7	-151.7	0	0	0	0	120.9
899	M	29	Very low	28.1	Very low	186 Å²	186	135 Å²	135	92%	0.916	80%	0.795	S	S	*	*			trans	58.8	133.6	176.5	-66.4	-179.3	166.6	0	0	118.5
900	G	27.3	Very low	28.1	Very low	74 Å²	74	132.6 Å²	132.6	76%	0.763	80%	0.795	S	S	*	*			cis	118.9	110.4	-19.5	0	0	0	0	0	116.9
901	N	29.2	Very low	28.1	Very low	177 Å²	177	132.7 Å²	132.7	95%	0.947	80%	0.797	S	S	*	*			trans	-161.7	156.9	147.3	-139.5	-21.3	0	0	0	114.8
902	G	27.5	Very low	28.1	Very low	72 Å²	72	127.9 Å²	127.9	74%	0.742	79%	0.793	S	S	*	*			trans	-79	-175.5	-162	0	0	0	0	0	120.5
903	G	27	Very low	28.2	Very low	79 Å²	79	132.9 Å²	132.9	81%	0.814	80%	0.803	S	S	*	*			trans	-175.3	40.7	-170	0	0	0	0	0	121.4
904	R	28.5	Very low	28.2	Very low	247 Å²	247	129.2 Å²	129.2	93%	0.932	80%	0.802	S	S	*	*			trans	55.1	106.2	148.7	-160.1	176.1	-164.2	156.4	3.6	122.1
905	A	26.5	Very low	28.1	Very low	87 Å²	87	130 Å²	130	72%	0.719	81%	0.806	S	S	*	*			trans	5	128.8	145.8	0	0	0	0	0	123.4
906	T	27	Very low	27.5	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	80%	0.799	S	S	*	*			trans	8	135	135.4	56.7	0	0	0	0	121.7
907	M	24.4	Very low	27.3	Very low	170 Å²	170	130.3 Å²	130.3	84%	0.837	80%	0.798	S	S	*	*				-172.8	143.5	112.8	-107.7	-58.5	-173.4	0	0	116.1
908	S	25.7	Very low	27.2	Very low	89 Å²	89	130.6 Å²	130.6	62%	0.622	79%	0.793	S	S	*	*			trans	25.7	142.5	148.9	65.6	0	0	0	0	125.1
909	S	27	Very low	27.3	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	79%	0.791	S	S	*	*			trans	68.8	158.7	140.9	-78.6	0	0	0	0	119.8
910	S	30.8	Very low	27.1	Very low	94 Å²	94	130.9 Å²	130.9	66%	0.657	78%	0.783	S	S	*	*			cis	-176.2	151.3	-25.9	54.4	0	0	0	0	108.9
911	N	29.7	Very low	27	Very low	172 Å²	172	133.7 Å²	133.7	92%	0.92	78%	0.776	S	S	*	*			trans	-167	136.1	146.7	-101.6	-37.3	0	0	0	111
912	G	29.5	Very low	26.8	Very low	68 Å²	68	133 Å²	133	70%	0.701	77%	0.765	S	S	*	*			trans	-132.5	-172.3	175	0	0	0	0	0	111.2
913	K	28.1	Very low	26.6	Very low	199 Å²	199	134.7 Å²	134.7	87%	0.865	77%	0.765	S	S	*	*			trans	-159.1	122.5	171.2	-117.6	168.7	-172.4	179.4	0	115.5
914	S	26.6	Very low	26.6	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	76%	0.759	S	S	*	*			trans	65.3	156.5	146.8	44.6	0	0	0	0	121.4
915	V	26.4	Very low	26.6	Very low	131 Å²	131	136.1 Å²	136.1	79%	0.794	76%	0.761	S	S	*	*			trans	-126	172.1	-157.7	-176.8	0	0	0	0	111.7
916	T	24.3	Very low	26.6	Very low	109 Å²	109	135.4 Å²	135.4	67%	0.669	76%	0.762	S	S	*	*			trans	89.5	155.8	169.5	77	0	0	0	0	115.8
917	W	25	Very low	26.6	Very low	234 Å²	234	138.4 Å²	138.4	89%	0.886	77%	0.767	S	S	*	*			cis	-141.3	164.1	9.3	-108.7	113.5	0	0	0	113.2
918	A	26.1	Very low	26.9	Very low	76 Å²	76	138.6 Å²	138.6	63%	0.628	77%	0.766	S	S	*	*			trans	54	94	145.4	0	0	0	0	0	121.7
919	Q	26.9	Very low	26.9	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.822	77%	0.771	S	S	*	*				39.5	130.1	107.9	-157.2	172.7	6.1	0	0	122.1
920	N	25.3	Very low	26.8	Very low	139 Å²	139	146.3 Å²	146.3	74%	0.743	77%	0.774	S	S	*	*			trans	91.6	148.8	147.5	-104	8.4	0	0	0	123.8
921	E	25	Very low	26.5	Very low	133 Å²	133	149 Å²	149	62%	0.621	78%	0.776	S	S	*	*			trans	76.4	109.9	156	-65.4	-88.3	99.4	0	0	122.1
922	K	25.3	Very low	26.1	Very low	163 Å²	163	151.2 Å²	151.2	71%	0.709	77%	0.771	S	S	*	*				59.3	104.9	129.7	-63.1	-173.4	176.4	92.8	0	122.9
923	S	23.8	Very low	25.9	Very low	106 Å²	106	156.4 Å²	156.4	74%	0.741	78%	0.782	S	S	*	*				83.7	134.3	105.6	-161	0	0	0	0	123.9
924	S	27.7	Very low	25.9	Very low	98 Å²	98	151.4 Å²	151.4	69%	0.685	77%	0.772	S	S	*	*			trans	71.5	92.8	140.5	51	0	0	0	0	123
925	R	28.4	Very low	25.9	Very low	258 Å²	258	153.3 Å²	153.3	97%	0.974	77%	0.771	S	S	*	*				63.4	129	121.1	-84.1	-176.7	166	173.3	-3.8	121.8
926	G	26.1	Very low	25.9	Very low	72 Å²	72	155.5 Å²	155.5	74%	0.742	77%	0.773	S	S	*	*			trans	-160.5	142.1	148.9	0	0	0	0	0	114
927	Q	26.8	Very low	26	Very low	190 Å²	190	157.2 Å²	157.2	89%	0.888	78%	0.776	S	S	*	*			trans	73.1	179.9	160.7	-58.5	-166	-6	0	0	120.5
928	H	29.5	Very low	26.1	Very low	173 Å²	173	153.4 Å²	153.4	80%	0.801	77%	0.774	S	S	*	*			trans	-110.2	-163.5	-150.9	-54.4	-115.8	0	0	0	113.3
929	L	26.8	Very low	26.2	Very low	142 Å²	142	157.5 Å²	157.5	74%	0.743	78%	0.777	S	S	*	*			trans	94.4	105.2	161.6	-66.8	104.6	0	0	0	118.9
930	W	24.3	Very low	26.3	Very low	224 Å²	224	158.9 Å²	158.9	85%	0.848	78%	0.78	S	S	*	*				70.7	156.2	124.7	-80	88	0	0	0	123.2
931	Q	23.9	Very low	26.5	Very low	149 Å²	149	159.5 Å²	159.5	70%	0.696	78%	0.779	S	S	*	*			trans	87.6	131.5	151.3	-82.5	179	39.4	0	0	121.6
932	R	23.4	Very low	26.8	Very low	220 Å²	220	160.6 Å²	160.6	83%	0.83	79%	0.789	S	S	*	*			trans	49.3	107.1	144.5	-68.5	177.6	165.9	-172.8	-4.2	118
933	L	25.1	Very low	27.3	Very low	176 Å²	176	157.7 Å²	157.7	92%	0.921	79%	0.787	S	S	*	*			trans	-94.6	111.7	136.7	-154.7	75.3	0	0	0	108.5
934	S	27.2	Very low	27.7	Very low	94 Å²	94	159.9 Å²	159.9	66%	0.657	79%	0.79	S	S	*	*			trans	-87.2	121.8	172.9	49.3	0	0	0	0	110	H936	S934-H936 PolarHBondContact O-N 3.5Å
935	I	26.5	Very low	28	Very low	156 Å²	156	164.9 Å²	164.9	80%	0.8	80%	0.803	S	S	*	*			trans	-72	117.8	176.2	-58.8	173.3	0	0	0	108.9	I937	I935-I937 HydrophobicContact CG2-CG1 4.2Å
936	H	26.8	Very low	28.1	Very low	177 Å²	177	159 Å²	159	82%	0.819	80%	0.796	S	S	*	*			trans	-101	105.8	167.6	-121.7	-71.8	0	0	0	109.1	S934	S934-H936 PolarHBondContact O-N 3.5Å
937	I	27	Very low	28.3	Very low	145 Å²	145	160.4 Å²	160.4	74%	0.744	80%	0.8	S	S	*	*			trans	-74.5	130.3	168.8	-59.4	174.8	0	0	0	107.4	I935	I935-I937 HydrophobicContact CG2-CG1 4.2Å
938	N	26.2	Very low	28.3	Very low	155 Å²	155	157.6 Å²	157.6	83%	0.829	80%	0.796	S	S	*	*			trans	-127.7	122.7	163.3	-163.6	-0.8	0	0	0	108.4
939	K	28.1	Very low	28.1	Very low	161 Å²	161	156.8 Å²	156.8	70%	0.7	80%	0.796	S	S	*	*			trans	-99.2	114.5	-170.5	-172.2	-169.1	176.7	-155.1	0	109.7	E941	K939-E941 IonicContact NZ-OE1 2.66Å; K939-E941 PolarHBondContact NZ-OE1 3.44Å
940	K	29.2	Very low	28	Very low	205 Å²	205	158.7 Å²	158.7	89%	0.891	80%	0.798	S	S	*	*			trans	-135.6	152.3	161.6	-98.1	-168.1	171.7	-172.1	0	110.3
941	E	30.1	Very low	28.1	Very low	152 Å²	152	153.7 Å²	153.7	71%	0.71	79%	0.794	S	S	*	*			trans	-105.7	110.9	-160.1	-69.7	157.6	159.9	0	0	111.2	K939	K939-E941 IonicContact NZ-OE1 2.66Å; K939-E941 PolarHBondContact NZ-OE1 3.44Å
942	N	29.8	Very low	28	Very low	157 Å²	157	156.1 Å²	156.1	84%	0.84	80%	0.803	S	S	*	*				-172.9	154.7	126.6	-97.1	-26.1	0	0	0	110.8
943	P	36	Very low	28.7	Very low	101 Å²	101	151.2 Å²	151.2	66%	0.656	80%	0.8	S	S	*	*			trans	-79.6	168.7	-177.9	33.4	-35.9	0	0	0	112.9
944	N	33.1	Very low	28.6	Very low	153 Å²	153	152.7 Å²	152.7	82%	0.818	80%	0.799	S	S	*	*			trans	73.1	87.2	172.1	-54.1	-15.9	0	0	0	117.1
945	Q	33.1	Very low	28.6	Very low	202 Å²	202	154 Å²	154	94%	0.944	81%	0.807	S	S	*	*				-163.7	142.7	124.2	-108.6	169.1	25.1	0	0	112.2
946	T	32.1	Very low	28.7	Very low	135 Å²	135	153 Å²	153	83%	0.828	81%	0.809	S	S	*	*			trans	-104.2	127.7	179.7	47.2	0	0	0	0	110.9
947	A	28.9	Very low	28.7	Very low	101 Å²	101	154 Å²	154	84%	0.835	81%	0.814	S	S	*	*			trans	-88.3	132.4	176.3	0	0	0	0	0	111.9
948	V	27	Very low	28.8	Very low	131 Å²	131	152.5 Å²	152.5	79%	0.794	82%	0.816	S	S	*	*			trans	-103.5	135.9	175.5	177.5	0	0	0	0	109.4
949	I	26.4	Very low	28.9	Very low	157 Å²	157	157.2 Å²	157.2	81%	0.805	82%	0.823	S	S	*	*			trans	-123.8	121.4	177.1	-58.9	178.6	0	0	0	109.2
950	K	23.5	Very low	28.9	Very low	181 Å²	181	153 Å²	153	79%	0.787	83%	0.825	S	S	*	*			trans	-93.9	140.4	169.5	-70.5	-175.9	176.4	-177.7	0	110.3
951	P	26.1	Very low	28.9	Very low	120 Å²	120	152.3 Å²	152.3	78%	0.779	83%	0.83	S	S	*	*			trans	-80.8	148.4	168.4	33.4	-33.4	0	0	0	111.7
952	F	23.5	Very low	28.8	Very low	199 Å²	199	148.4 Å²	148.4	87%	0.873	83%	0.831	S	S	*	*			trans	-140.4	162.7	164.4	-98.7	-44	0	0	0	108.6
953	P	36.1	Very low	28.8	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	84%	0.835	S	S	*	*			trans	-97.3	174.5	-143.3	2.7	19.5	0	0	0	112.9
954	K	24.9	Very low	28.4	Very low	208 Å²	208	145 Å²	145	90%	0.904	84%	0.84	S	S	*	*			trans	-128.1	127.5	160.4	-80.3	-173.4	173.5	177.8	0	111.1
955	S	26.3	Very low	28.3	Very low	120 Å²	120	143 Å²	143	84%	0.839	85%	0.845	S	S	*	*			trans	-75.3	161.8	170.7	42.7	0	0	0	0	111.9
956	T	29.1	Very low	28	Very low	137 Å²	137	136.9 Å²	136.9	84%	0.84	84%	0.836	S	S	*	*			trans	-71.5	155.6	175	47.3	0	0	0	0	113.4
957	E	26.4	Very low	27.9	Very low	197 Å²	197	135.6 Å²	135.6	92%	0.921	84%	0.839	S	S	*	*			trans	-139.4	161	140.5	-151.2	174	-147.4	0	0	109.9
958	S	29.7	Very low	27.9	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	84%	0.842	S	S	*	*			trans	-127	174.8	-153.6	63.2	0	0	0	0	114
959	R	26.8	Very low	27.9	Very low	255 Å²	255	132.5 Å²	132.5	96%	0.962	84%	0.843	S	S	*	*			trans	-144.6	120.6	164.1	-142.2	176.2	-168.8	178.9	3.1	108.2
960	G	29	Very low	28	Very low	73 Å²	73	130.4 Å²	130.4	75%	0.753	84%	0.842	S	S	*	*			trans	-124.9	-177.2	-170.9	0	0	0	0	0	114.2
961	L	29.1	Very low	28.3	Very low	189 Å²	189	127 Å²	127	99%	0.99	85%	0.848	S	S	*	*			trans	-160.2	145.2	174.1	-106.2	166.7	0	0	0	108.9
962	G	28	Very low	28.4	Very low	71 Å²	71	125.2 Å²	125.2	73%	0.732	85%	0.852	S	S	*	*			trans	110.3	72.8	159	0	0	0	0	0	119.3
963	A	29.2	Very low	28.6	Very low	112 Å²	112	119.1 Å²	119.1	93%	0.926	85%	0.845	S	S	*	*			trans	49.1	134.2	138.8	0	0	0	0	0	123.6
964	G	28.5	Very low	28.3	Very low	73 Å²	73	123.4 Å²	123.4	75%	0.753	86%	0.857	S	S	*	*				124.3	86.7	121.1	0	0	0	0	0	120
965	A	30.2	Very low	28.4	Very low	112 Å²	112	117.4 Å²	117.4	93%	0.926	86%	0.855	S	S	*	*			trans	51.3	150.3	152.7	0	0	0	0	0	120.9
966	G	28.3	Very low	28.6	Very low	74 Å²	74	115.8 Å²	115.8	76%	0.763	85%	0.848	S	S	*	*			cis	174.4	127.9	-7.8	0	0	0	0	0	113.1
967	A	29.7	Very low	28.5	Very low	108 Å²	108	116.4 Å²	116.4	89%	0.893	85%	0.852	S	S	*	*			trans	52	105.6	158.7	0	0	0	0	0	121.7
968	G	27.8	Very low	28.6	Very low	86 Å²	86	111 Å²	111	89%	0.887	85%	0.849	S	S	*	*				99.4	159.3	112.1	0	0	0	0	0	119.2
969	G	27.9	Very low	28.5	Very low	80 Å²	80	109.2 Å²	109.2	83%	0.825	85%	0.849	S	S	*	*			trans	129.1	69.9	165.1	0	0	0	0	0	116.7
970	S	28.6	Very low	28.7	Very low	113 Å²	113	102.6 Å²	102.6	79%	0.79	85%	0.849	S	S	*	*			trans	-46	147.6	170.3	52.3	0	0	0	0	118.4
971	A	29.5	Very low	28.6	Very low	110 Å²	110	102.8 Å²	102.8	91%	0.909	85%	0.851	S	S	*	*			trans	67.5	162.2	139.5	0	0	0	0	0	120.2
972	G	28.2	Very low	28.6	Very low	83 Å²	83	100 Å²	100	86%	0.856	85%	0.846	S	S	*	*			trans	138	126.6	179.8	0	0	0	0	0	110.8
973	G	27.5	Very low	28.8	Very low	71 Å²	71	102 Å²	102	73%	0.732	86%	0.855	S	S	*	*			trans	-142.6	177.8	176.2	0	0	0	0	0	111.1
974	M	29.4	Very low	28.8	Very low	206 Å²	206	100.3 Å²	100.3	100%	1.015	85%	0.849	S	S	*	*			trans	68.1	143.6	177.6	-52.3	169.5	70.1	0	0	115.1
975	G	28.2	Very low	28.9	Very low	83 Å²	83	102 Å²	102	86%	0.856	86%	0.855	S	S	*	*			trans	149.9	106.8	179.9	0	0	0	0	0	110.6
976	A	29.1	Very low	28.7	Very low	85 Å²	85	100 Å²	100	70%	0.702	85%	0.846	S	S	*	*			trans	-124.4	177.1	-175.3	0	0	0	0	0	111.4
977	T	28	Very low	29.7	Very low	150 Å²	150	103 Å²	103	92%	0.92	85%	0.852	S	S	*	*			trans	76.3	160.3	169	78	0	0	0	0	117.2
978	G	27.8	Very low	29.7	Very low	83 Å²	83	101.8 Å²	101.8	86%	0.856	85%	0.85	S	S	*	*			trans	108.2	106.7	179.4	0	0	0	0	0	112.8
979	G	28.5	Very low	29.6	Very low	76 Å²	76	101.1 Å²	101.1	78%	0.784	84%	0.843	S	S	*	*			trans	-150.4	-177.8	178.4	0	0	0	0	0	113
980	A	29.8	Very low	30.4	Very low	117 Å²	117	104.1 Å²	104.1	97%	0.967	85%	0.848	S	S	*	*			trans	68.3	136.2	179.3	0	0	0	0	0	117.4
981	G	27	Very low	30.5	Very low	76 Å²	76	107.5 Å²	107.5	78%	0.784	85%	0.851	S	S	*	*			trans	162.9	124.4	175.4	0	0	0	0	0	110.5
982	C	29	Very low	31.8	Very low	131 Å²	131	107 Å²	107	89%	0.885	84%	0.839	S	S	*	*			trans	-129.1	162.9	-173.4	-77.5	0	0	0	0	112.9
983	A	31.9	Very low	33.1	Very low	113 Å²	113	108.5 Å²	108.5	93%	0.934	83%	0.834	S	S	*	*			trans	76.3	143.2	163.3	0	0	0	0	0	119.2
984	G	29.4	Very low	33.3	Very low	77 Å²	77	112.2 Å²	112.2	79%	0.794	84%	0.837	S	S	*	*			trans	154.8	69	167.9	0	0	0	0	0	118.5
985	A	30.4	Very low	33.3	Very low	107 Å²	107	105.7 Å²	105.7	88%	0.884	82%	0.816	S	S	*	*			trans	37.5	154.3	150.9	0	0	0	0	0	124.5
986	G	27.1	Very low	33.3	Very low	71 Å²	71	106.9 Å²	106.9	73%	0.732	81%	0.811	S	S	*	*			trans	-88.1	-146.3	166.2	0	0	0	0	0	113.1
987	P	49.8	Very low	34.5	Very low	138 Å²	138	107.8 Å²	107.8	90%	0.896	81%	0.809	S	S	*	*			cis	-142.4	-171.3	9.7	44.7	-26.5	0	0	0	116.1
988	G	28	Very low	34.7	Very low	81 Å²	81	110.9 Å²	110.9	84%	0.835	81%	0.81	S	S	*	*			trans	112.5	135	144.6	0	0	0	0	0	119.5
989	G	27.3	Very low	34.7	Very low	73 Å²	73	110 Å²	110	75%	0.753	80%	0.801	S	S	*	*			trans	-109.2	-178.7	166.9	0	0	0	0	0	112.6
990	P	44.3	Very low	34.7	Very low	142 Å²	142	113.4 Å²	113.4	92%	0.922	80%	0.801	S	S	*	*				-148	-153.5	98.7	40.5	-21.9	0	0	0	115.2
991	E	29.8	Very low	34.5	Very low	184 Å²	184	116.9 Å²	116.9	86%	0.86	79%	0.79	S	S	*	*			trans	-126.9	-156.5	-145.5	-133.2	-161.3	144.5	0	0	115.6
992	P	58.1	Low	34.4	Very low	100 Å²	100	119.8 Å²	119.8	65%	0.649	79%	0.788	S	S	*	*			trans	-115.1	-145.9	-142.7	47.1	-27.4	0	0	0	113.8
993	P	54.8	Low	34.2	Very low	115 Å²	115	120.1 Å²	120.1	75%	0.747	79%	0.785	S	S	*	*			cis	-130.1	-151.3	36.8	36	-10.4	0	0	0	113
994	D	31.8	Very low	33.9	Very low	149 Å²	149	119.5 Å²	119.5	80%	0.797	78%	0.78	S	S	*	*			cis	-161.3	176.4	5.5	-161.8	12.6	0	0	0	113.6
995	A	29.8	Very low	33.7	Very low	69 Å²	69	124.5 Å²	124.5	57%	0.57	78%	0.783	S	S	*	*			trans	25.8	126.1	151.7	0	0	0	0	0	122.3
996	S	28.6	Very low	33.4	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	78%	0.777	S	S	*	*			cis	100.2	162.2	34.5	84.3	0	0	0	0	114.3
997	P	52.4	Low	33.3	Very low	103 Å²	103	130.4 Å²	130.4	67%	0.669	78%	0.781	S	S	*	*			cis	-142.3	162.1	1.8	42.1	-23.1	0	0	0	119.7
998	K	32.5	Very low	32.1	Very low	215 Å²	215	131.2 Å²	131.2	94%	0.935	77%	0.773	S	S	*	*			trans	61.4	143	149.5	-66.6	167.1	-178	178.5	0	122.1
999	G	28.6	Very low	31.9	Very low	65 Å²	65	134.9 Å²	134.9	67%	0.67	77%	0.769	S	S	*	*			cis	166.8	161.4	-11	0	0	0	0	0	117
1000	L	27.6	Very low	31.9	Very low	148 Å²	148	140.8 Å²	140.8	78%	0.775	77%	0.774	S	S	*	*			trans	70.4	149.5	170.8	-69.3	83.7	0	0	0	118.1
1001	Y	26.3	Very low	31.7	Very low	189 Å²	189	139.9 Å²	139.9	74%	0.741	77%	0.768	S	S	*	*			cis	-153.2	143	20.7	-127	-57.7	0	0	0	112.8
1002	D	25.5	Very low	31.7	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	76%	0.763	S	S	*	*			trans	35.6	158.2	158.9	-60.5	-11.5	0	0	0	123.5
1003	V	24.9	Very low	31.1	Very low	138 Å²	138	136.9 Å²	136.9	84%	0.836	77%	0.772	S	S	*	*			cis	-145.5	148.6	13	-175.7	0	0	0	0	110.1
1004	A	25.3	Very low	29.8	Very low	99 Å²	99	138.3 Å²	138.3	82%	0.818	78%	0.779	S	S	*	*			trans	154.4	152.1	135.8	0	0	0	0	0	117.1
1005	E	25.5	Very low	29.4	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	78%	0.784	S	S	*	*			trans	-39.8	165.3	175.4	-73.1	172.2	152.8	0	0	119.8
1006	T	24.5	Very low	30	Very low	124 Å²	124	144.1 Å²	144.1	76%	0.761	79%	0.788	S	S	*	*			cis	-151.9	175.8	15.6	30.9	0	0	0	0	113.8
1007	E	24	Very low	29.9	Very low	177 Å²	177	150.6 Å²	150.6	83%	0.827	80%	0.796	S	S	*	*			trans	103.9	121.3	150.4	-62.6	-160.5	136.3	0	0	123.5
1008	E	23.7	Very low	28.9	Very low	155 Å²	155	150.7 Å²	150.7	72%	0.724	80%	0.799	S	S	*	*			trans	64.7	128.7	134	-63.8	-114.4	123.2	0	0	127.2
1009	H	25	Very low	29.2	Very low	159 Å²	159	146.3 Å²	146.3	74%	0.736	79%	0.793	S	S	*	*			trans	77.8	150.6	142	-81.6	102.1	0	0	0	125.9
1010	F	26	Very low	29.3	Very low	196 Å²	196	148.3 Å²	148.3	86%	0.86	80%	0.796	S	S	*	*			trans	-97.6	-179	-172.7	-89.5	-83	0	0	0	112
1011	P	40.9	Very low	30.1	Very low	124 Å²	124	146.3 Å²	146.3	81%	0.805	79%	0.792	S	S	*	*			cis	-141	-179.1	18.8	43.7	-24.4	0	0	0	118.3
1012	A	30.1	Very low	30.1	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	80%	0.797	S	S	*	*			trans	-152.2	151.1	166.6	0	0	0	0	0	112.3
1013	P	44.5	Very low	30.1	Very low	129 Å²	129	143.1 Å²	143.1	84%	0.838	79%	0.794	S	S	*	*			trans	-116.3	152.6	172.2	38.3	-29.3	0	0	0	114.7
1014	T	28.4	Very low	30.3	Very low	144 Å²	144	142.5 Å²	142.5	88%	0.883	79%	0.79	S	S	*	*			trans	-129.5	174.8	-179.4	52.7	0	0	0	0	113.8
1015	R	24.4	Very low	30.4	Very low	238 Å²	238	145 Å²	145	90%	0.898	79%	0.789	S	S	*	*			trans	-160.2	169.6	179.4	-112.6	-170.1	173.8	-172.5	1.2	108.1
1016	P	42	Very low	30.5	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	78%	0.782	S	S	*	*			cis	-138.4	173	-20.3	40.3	-23.8	0	0	0	115.4
1017	R	26.8	Very low	30.8	Very low	244 Å²	244	143.1 Å²	143.1	92%	0.921	78%	0.783	S	S	*	*			trans	66.2	150.4	145.5	-85.6	-179.2	168.9	172.3	-4.5	123.4
1018	S	29.6	Very low	30.9	Very low	105 Å²	105	146.6 Å²	146.6	73%	0.734	79%	0.788	S	S	*	*			trans	-69.4	176.7	176.9	50.4	0	0	0	0	115.1
1019	P	40.4	Very low	31.1	Very low	123 Å²	123	143.8 Å²	143.8	80%	0.799	79%	0.791	S	S	*	*			cis	-143.8	-157.3	25.7	44	-21.3	0	0	0	118.1
1020	S	29	Very low	31.1	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	79%	0.794	S	S	*	*			trans	-82	-169.9	-175	59.6	0	0	0	0	113.9
1021	P	45.6	Very low	31.1	Very low	107 Å²	107	136.3 Å²	136.3	70%	0.695	79%	0.794	S	S	*	*			cis	-143.3	-155	7.8	33.9	-6.7	0	0	0	116.3
1022	I	25.2	Very low	30.6	Very low	165 Å²	165	134.5 Å²	134.5	85%	0.846	79%	0.789	S	S	*	*			trans	105.5	146.1	158.9	-61.4	172.7	0	0	0	118.3
1023	S	25.8	Very low	30.4	Very low	95 Å²	95	135 Å²	135	66%	0.664	79%	0.788	S	S	*	*			trans	-114.4	169.9	-167.4	56.1	0	0	0	0	113.6
1024	T	28.9	Very low	29.7	Very low	124 Å²	124	140 Å²	140	76%	0.761	79%	0.789	S	S	*	*			trans	-174.6	137.2	134	26.2	0	0	0	0	115.1
1025	L	27.7	Very low	29.7	Very low	152 Å²	152	138.1 Å²	138.1	80%	0.796	78%	0.778	S	S	*	*			trans	63.9	151.8	139.4	-67.4	166.7	0	0	0	121.2
1026	S	28.2	Very low	29.9	Very low	102 Å²	102	133 Å²	133	71%	0.713	77%	0.769	S	S	*	*			cis	-143.2	150.9	2.4	-172.7	0	0	0	0	114.2
1027	H	29.7	Very low	29.2	Very low	165 Å²	165	135.5 Å²	135.5	76%	0.764	78%	0.776	S	S	*	*			trans	-62.1	165.7	167.8	-54.6	-110.8	0	0	0	114.7
1028	R	26.4	Very low	29.1	Very low	250 Å²	250	131.2 Å²	131.2	94%	0.943	77%	0.772	S	S	*	*				-146.1	151.9	107.5	-146.1	168.8	-171.9	159	3.5	112.4
1029	A	28.2	Very low	29	Very low	96 Å²	96	132 Å²	132	79%	0.793	77%	0.772	S	S	*	*			trans	-136.7	166.3	178	0	0	0	0	0	110.4
1030	G	24.5	Very low	28.9	Very low	77 Å²	77	132 Å²	132	79%	0.794	77%	0.771	S	S	*	*			trans	-166.3	152	176.2	0	0	0	0	0	111.4
1031	S	26.6	Very low	28.7	Very low	121 Å²	121	131.2 Å²	131.2	85%	0.846	77%	0.766	S	S	*	*			trans	-154.4	161.1	-164.7	57	0	0	0	0	113.9
1032	A	29.7	Very low	27.7	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	77%	0.771	S	S	*	*			trans	102.2	110.6	155.5	0	0	0	0	0	120.1
1033	S	26.1	Very low	27.6	Very low	103 Å²	103	133 Å²	133	72%	0.72	77%	0.765	S	S	*	*				60	123.5	127.9	65.9	0	0	0	0	124.2
1034	R	29.6	Very low	27.4	Very low	232 Å²	232	133.1 Å²	133.1	88%	0.875	77%	0.767	S	S	*	*			trans	64.2	146.8	132.3	-67.1	-165.1	169.9	162.5	-3.6	118.9
1035	T	29.7	Very low	27.2	Very low	106 Å²	106	135.8 Å²	135.8	65%	0.65	77%	0.771	S	S	*	*			cis	-167	-179.6	-4.7	19.9	0	0	0	0	108.2
1036	D	28.4	Very low	27.7	Very low	130 Å²	130	134 Å²	134	70%	0.695	77%	0.768	S	S	*	*			cis	-156.3	-175.9	-1.3	-110.8	-36.7	0	0	0	108.4
1037	D	27.6	Very low	27.4	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	77%	0.771	S	S	*	*			trans	66.7	143.8	168.9	-57.2	-38.9	0	0	0	117.8
1038	D	24.5	Very low	27.3	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	77%	0.773	S	S	*	*			cis	-152.7	169.1	40.1	-153	-18.9	0	0	0	113.2
1039	V	27.2	Very low	27.3	Very low	123 Å²	123	130.5 Å²	130.5	75%	0.745	77%	0.773	S	S	*	*			trans	-145.6	132	-171.7	170.8	0	0	0	0	113.9
1040	P	37.7	Very low	27.1	Very low	121 Å²	121	132 Å²	132	79%	0.786	78%	0.778	S	S	*	*			trans	-150.6	114.2	130.7	32.1	-11.7	0	0	0	118.1
1041	S	24.8	Very low	27.2	Very low	91 Å²	91	134 Å²	134	64%	0.636	78%	0.78	S	S	*	*				20.4	140.7	128.2	62.6	0	0	0	0	125.7
1042	L	24.7	Very low	27.2	Very low	151 Å²	151	133.5 Å²	133.5	79%	0.791	78%	0.776	S	S	*	*			trans	65.1	147.9	141.5	-76.5	151.5	0	0	0	118.7
1043	H	23.1	Very low	27.2	Very low	157 Å²	157	134.6 Å²	134.6	73%	0.727	78%	0.779	S	S	*	*				-168.4	145.7	51.4	-133.1	-76.4	0	0	0	115.4
1044	S	21.6	Very low	27.8	Very low	99 Å²	99	139.4 Å²	139.4	69%	0.692	79%	0.79	S	S	*	*			trans	44.3	130.5	148.1	51.6	0	0	0	0	127
1045	E	25.4	Very low	28	Very low	180 Å²	180	131.1 Å²	131.1	84%	0.841	78%	0.777	S	S	*	*			trans	-14.2	168.5	132.6	-85.6	-163.3	107.8	0	0	120.8
1046	P	37.2	Very low	28.7	Very low	114 Å²	114	129.1 Å²	129.1	74%	0.74	77%	0.767	S	S	*	*			cis	-153	-176.7	36.6	44.8	-23.8	0	0	0	121.3
1047	A	23.9	Very low	29.4	Very low	93 Å²	93	128.8 Å²	128.8	77%	0.769	76%	0.764	S	S	*	*			trans	82.1	152.1	152.2	0	0	0	0	0	119.2
1048	A	25.8	Very low	30	Very low	99 Å²	99	126.4 Å²	126.4	82%	0.818	75%	0.75	S	S	*	*			cis	-141.8	168.9	9.3	0	0	0	0	0	113.9
1049	R	26.5	Very low	30.8	Very low	252 Å²	252	125.6 Å²	125.6	95%	0.951	74%	0.741	S	S	*	*			trans	-93.1	150.8	177.8	-67.2	175.8	174.5	164.8	-3.4	113.4
1050	S	24.1	Very low	31.6	Very low	127 Å²	127	125.7 Å²	125.7	89%	0.888	73%	0.733	S	S	*	*			trans	-146.5	165	143	67.2	0	0	0	0	109.9
1051	S	27.2	Very low	32.2	Very low	120 Å²	120	124.4 Å²	124.4	84%	0.839	72%	0.719	S	S	*	*			trans	-148.2	138	-163.3	57	0	0	0	0	113.7
1052	S	26.4	Very low	32.8	Very low	109 Å²	109	123.4 Å²	123.4	76%	0.762	71%	0.712	S	S	*	*			trans	-155.6	125.8	166.5	55.5	0	0	0	0	113.1
1053	S	30.4	Very low	33.5	Very low	111 Å²	111	118.2 Å²	118.2	78%	0.776	69%	0.688	S	S	*	*			trans	45.4	111.8	155.6	57.2	0	0	0	0	119.8
1054	Q	38.9	Very low	34.6	Very low	204 Å²	204	114.8 Å²	114.8	95%	0.953	68%	0.678	S	S	*	*			trans	-63.8	136.9	148.8	-66	168.2	-73.4	0	0	109.4
1055	G	32.3	Very low	35.7	Very low	58 Å²	58	114.2 Å²	114.2	60%	0.598	67%	0.67	S	S	*	*			trans	-108	150.6	158.6	0	0	0	0	0	109
1056	S	44.2	Very low	36.3	Very low	64 Å²	64	109.9 Å²	109.9	45%	0.448	66%	0.656	S	S	.	*			trans	-74.4	137.4	-174.2	-174.9	0	0	0	0	112.1	M1058 E1059 Q1060	S1056-M1058 PolarHBondContact O-N 2.7Å; S1056-M1058 PolarHBondContact OG-N 2.8Å; S1056-E1059 PolarHBondContact O-N 3.41Å; S1056-Q1060 PolarHBondContact O-N 3.15Å
1057	L	44.4	Very low	36.5	Very low	122 Å²	122	112.9 Å²	112.9	64%	0.639	65%	0.653	S	S	*	*	H	α-helix	trans	-60.4	-34.5	175.7	-166.9	70.5	0	0	0	111.3	E1059 Q1060 I1061	L1057-E1059 VanDerWaalsContact C-N 3.32Å; L1057-E1059 PolarHBondContact O-N 3.09Å; L1057-Q1060 PolarHBondContact O-N 3.35Å; L1057-I1061 HydrophobicContact CD2-CD1 4.46Å; L1057-I1061 HydrophobicContact CG-CD1 4.09Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.12Å; L1057-I1061 PolarHBondContact O-N 2.56Å
1058	M	40.1	Very low	37.3	Very low	107 Å²	107	115.9 Å²	115.9	53%	0.527	65%	0.648	S	S	.	*	H	α-helix	trans	-57.1	-39.6	172	-90.9	-77.6	-162.6	0	0	113	E121 S1056 S1062	E121-M1058 WeakPolarHBondContact OE1-CE 3.45Å; S1056-M1058 PolarHBondContact O-N 2.7Å; S1056-M1058 PolarHBondContact OG-N 2.8Å; M1058-S1062 WeakPolarHBondContact O-CB 3.13Å; M1058-S1062 PolarHBondContact O-N 3.3Å
1059	E	41	Very low	37.9	Very low	136 Å²	136	115.6 Å²	115.6	64%	0.636	64%	0.637	S	S	*	*	H	α-helix	trans	-70	-35.1	178.1	-69.9	-177.6	120	0	0	111.7	S1056 L1057 S1063	S1056-E1059 PolarHBondContact O-N 3.41Å; L1057-E1059 VanDerWaalsContact C-N 3.32Å; L1057-E1059 PolarHBondContact O-N 3.09Å; E1059-S1063 WeakPolarHBondContact O-CB 3.28Å; E1059-S1063 PolarHBondContact O-N 2.77Å
1060	Q	44	Very low	38.4	Very low	125 Å²	125	105.9 Å²	105.9	58%	0.584	61%	0.611	S	S	*	*	H	α-helix	trans	-69.1	-43.3	175.3	-66.1	-171.9	-18.6	0	0	111.7	S1056 L1057 S1063 V1064	S1056-Q1060 PolarHBondContact O-N 3.15Å; L1057-Q1060 PolarHBondContact O-N 3.35Å; Q1060-S1063 PolarHBondContact O-N 2.9Å; Q1060-V1064 WeakPolarHBondContact O-CG2 3.32Å; Q1060-V1064 PolarHBondContact O-N 3.43Å
1061	I	50.8	Low	39.2	Very low	94 Å²	94	105 Å²	105	48%	0.482	60%	0.596	S	S	.	*	H	α-helix	trans	-63.2	-47.7	175.8	-67.1	166	0	0	0	110.4	L1057 S1063 V1064 V1065	L1057-I1061 HydrophobicContact CD2-CD1 4.46Å; L1057-I1061 HydrophobicContact CG-CD1 4.09Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.12Å; L1057-I1061 PolarHBondContact O-N 2.56Å; I1061-S1063 VanDerWaalsContact C-N 3.34Å; I1061-S1063 PolarHBondContact O-N 3.17Å; I1061-V1064 PolarHBondContact O-N 3.16Å; I1061-V1065 WeakPolarHBondContact O-CG2 3.45Å; I1061-V1065 PolarHBondContact O-N 2.69Å
1062	S	37.2	Very low	39.8	Very low	69 Å²	69	105.1 Å²	105.1	48%	0.483	59%	0.586	S	S	.	*	H	α-helix	trans	-57.4	-45.9	174.6	-175.1	0	0	0	0	111.5	M1058 V1064 V1065 T1066	M1058-S1062 WeakPolarHBondContact O-CB 3.13Å; M1058-S1062 PolarHBondContact O-N 3.3Å; S1062-V1064 VanDerWaalsContact C-N 3.35Å; S1062-V1064 PolarHBondContact O-N 2.81Å; S1062-V1065 PolarHBondContact O-N 2.75Å; S1062-T1066 WeakPolarHBondContact O-CB 3.39Å; S1062-T1066 PolarHBondContact O-N 2.81Å; S1062-T1066 PolarHBondContact O-OG1 2.86Å
1063	S	39.7	Very low	40.3	Very low	43 Å²	43	103.7 Å²	103.7	30%	0.301	58%	0.576	S	S	.	*	H	α-helix	trans	-58.8	-41.1	176	-171	0	0	0	0	113.1	E1059 Q1060 I1061 R1067	E1059-S1063 WeakPolarHBondContact O-CB 3.28Å; E1059-S1063 PolarHBondContact O-N 2.77Å; Q1060-S1063 PolarHBondContact O-N 2.9Å; I1061-S1063 VanDerWaalsContact C-N 3.34Å; I1061-S1063 PolarHBondContact O-N 3.17Å; S1063-R1067 VanDerWaalsContact O-CB 3.24Å; S1063-R1067 WeakPolarHBondContact O-CB 3.38Å; S1063-R1067 VanDerWaalsContact O-CG 3.22Å; S1063-R1067 WeakPolarHBondContact O-CG 3.11Å; S1063-R1067 PolarHBondContact O-N 2.99Å; S1063-R1067 PolarHBondContact OG-NH1 3.03Å
1064	V	46.5	Very low	40.7	Very low	85 Å²	85	103.7 Å²	103.7	52%	0.515	56%	0.564	S	S	.	*	H	α-helix	trans	-68.2	-46.8	177.8	170.4	0	0	0	0	111.4	Q1060 I1061 S1062 R1067 F1068	Q1060-V1064 WeakPolarHBondContact O-CG2 3.32Å; Q1060-V1064 PolarHBondContact O-N 3.43Å; I1061-V1064 PolarHBondContact O-N 3.16Å; S1062-V1064 VanDerWaalsContact C-N 3.35Å; S1062-V1064 PolarHBondContact O-N 2.81Å; V1064-R1067 PolarHBondContact O-N 3.1Å; V1064-F1068 PolarHBondContact O-N 2.8Å
1065	V	43.8	Very low	40.5	Very low	87 Å²	87	100.4 Å²	100.4	53%	0.527	55%	0.552	S	S	.	*	H	α-helix	trans	-64.2	-43.3	179	174.5	0	0	0	0	111.3	I1061 S1062 F1068 T1069	I1061-V1065 WeakPolarHBondContact O-CG2 3.45Å; I1061-V1065 PolarHBondContact O-N 2.69Å; S1062-V1065 PolarHBondContact O-N 2.75Å; V1065-F1068 PolarHBondContact O-N 3.11Å; V1065-T1069 WeakPolarHBondContact O-CB 3.48Å; V1065-T1069 PolarHBondContact O-N 2.85Å; V1065-T1069 PolarHBondContact O-OG1 3.25Å
1066	T	38.8	Very low	40.6	Very low	88 Å²	88	104.1 Å²	104.1	54%	0.54	56%	0.558	S	S	.	*	H	α-helix	trans	-65.3	-41.2	176	-54.6	0	0	0	0	111.6	S1062 T1069 A1070	S1062-T1066 WeakPolarHBondContact O-CB 3.39Å; S1062-T1066 PolarHBondContact O-N 2.81Å; S1062-T1066 PolarHBondContact O-OG1 2.86Å; T1066-T1069 PolarHBondContact O-N 2.96Å; T1066-A1070 WeakPolarHBondContact O-CB 3.36Å; T1066-A1070 PolarHBondContact O-N 3.33Å
1067	R	39.9	Very low	40.3	Very low	178 Å²	178	104.6 Å²	104.6	67%	0.672	56%	0.561	S	S	*	*	H	α-helix	trans	-63.5	-43	175.8	-81.1	171.8	168.1	154.2	-4.8	112.8	S1063 V1064 T1069 A1070 N1071	S1063-R1067 VanDerWaalsContact O-CB 3.24Å; S1063-R1067 WeakPolarHBondContact O-CB 3.38Å; S1063-R1067 VanDerWaalsContact O-CG 3.22Å; S1063-R1067 WeakPolarHBondContact O-CG 3.11Å; S1063-R1067 PolarHBondContact O-N 2.99Å; S1063-R1067 PolarHBondContact OG-NH1 3.03Å; V1064-R1067 PolarHBondContact O-N 3.1Å; R1067-T1069 VanDerWaalsContact C-N 3.31Å; R1067-T1069 PolarHBondContact O-N 3.38Å; R1067-A1070 PolarHBondContact O-N 3.42Å; R1067-N1071 WeakPolarHBondContact O-CB 3.41Å; R1067-N1071 PolarHBondContact O-N 3.27Å; R1067-N1071 VanDerWaalsContact O-N 3.07Å
1068	F	41.1	Very low	39.8	Very low	155 Å²	155	105.8 Å²	105.8	68%	0.68	57%	0.565	S	S	*	*	H	α-helix	trans	-64.6	-37.2	176.5	-111.7	-84.9	0	0	0	112.3	V1064 V1065	V1064-F1068 PolarHBondContact O-N 2.8Å; V1065-F1068 PolarHBondContact O-N 3.11Å
1069	T	38.8	Very low	39.4	Very low	94 Å²	94	108.7 Å²	108.7	58%	0.577	58%	0.58	S	S	*	*	H	α-helix	trans	-69.3	-41.4	176.9	-51.2	0	0	0	0	111.4	V1065 T1066 R1067 I1072	V1065-T1069 WeakPolarHBondContact O-CB 3.48Å; V1065-T1069 PolarHBondContact O-N 2.85Å; V1065-T1069 PolarHBondContact O-OG1 3.25Å; T1066-T1069 PolarHBondContact O-N 2.96Å; R1067-T1069 VanDerWaalsContact C-N 3.31Å; R1067-T1069 PolarHBondContact O-N 3.38Å; T1069-I1072 PolarHBondContact O-N 3.24Å
1070	A	37.8	Very low	39.1	Very low	48 Å²	48	110 Å²	110	40%	0.397	59%	0.59	S	S	.	*	H	α-helix	trans	-67.8	-34.3	179.1	0	0	0	0	0	113.6	T1066 R1067 I1072 S1073 E1074	T1066-A1070 WeakPolarHBondContact O-CB 3.36Å; T1066-A1070 PolarHBondContact O-N 3.33Å; R1067-A1070 PolarHBondContact O-N 3.42Å; A1070-I1072 PolarHBondContact O-N 2.84Å; A1070-S1073 PolarHBondContact O-N 3.46Å; A1070-S1073 PolarHBondContact O-OG 3.22Å; A1070-E1074 PolarHBondContact O-N 3.36Å
1071	N	39.2	Very low	38.4	Very low	108 Å²	108	109.3 Å²	109.3	58%	0.578	60%	0.599	S	S	*	*	H	α-helix	trans	-69.1	-20.5	-178.3	-152.8	7.7	0	0	0	112.9	R1067 L1075	R1067-N1071 WeakPolarHBondContact O-CB 3.41Å; R1067-N1071 PolarHBondContact O-N 3.27Å; R1067-N1071 VanDerWaalsContact O-N 3.07Å; N1071-L1075 PolarHBondContact O-N 3.12Å
1072	I	41.1	Very low	37.4	Very low	122 Å²	122	111.9 Å²	111.9	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-74.1	-27.5	172.1	-64.2	173	0	0	0	111.5	T1069 A1070 N1076	T1069-I1072 PolarHBondContact O-N 3.24Å; A1070-I1072 PolarHBondContact O-N 2.84Å; I1072-N1076 PolarHBondContact O-ND2 3.01Å
1073	S	36.6	Very low	36.9	Very low	79 Å²	79	113.8 Å²	113.8	55%	0.552	64%	0.639	S	S	*	*	H	α-helix	trans	-77.8	-36.6	174.1	29.8	0	0	0	0	113.9	A1070 N1076	A1070-S1073 PolarHBondContact O-N 3.46Å; A1070-S1073 PolarHBondContact O-OG 3.22Å; S1073-N1076 PolarHBondContact O-N 3.22Å
1074	E	39.5	Very low	36.5	Very low	112 Å²	112	116.5 Å²	116.5	52%	0.523	66%	0.664	S	S	.	*	H	α-helix	trans	-76.3	-25.9	-179.6	-66.2	-158.5	131.6	0	0	113.8	A1070 N1076 S1077 M1078	A1070-E1074 PolarHBondContact O-N 3.36Å; E1074-N1076 PolarHBondContact O-N 3.22Å; E1074-N1076 VanDerWaalsContact O-N 3.11Å; E1074-S1077 PolarHBondContact O-N 3.49Å; E1074-S1077 PolarHBondContact O-OG 3.39Å; E1074-M1078 PolarHBondContact O-N 3.27Å
1075	L	34.8	Very low	36.2	Very low	134 Å²	134	118.5 Å²	118.5	70%	0.702	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-21.8	174.7	-156.6	72.6	0	0	0	112.8	N1071	N1071-L1075 PolarHBondContact O-N 3.12Å
1076	N	34.3	Very low	35.4	Very low	137 Å²	137	119.8 Å²	119.8	73%	0.733	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-11.2	175.1	-73.2	-66.6	0	0	0	114.1	I1072 S1073 E1074	I1072-N1076 PolarHBondContact O-ND2 3.01Å; S1073-N1076 PolarHBondContact O-N 3.22Å; E1074-N1076 PolarHBondContact O-N 3.22Å; E1074-N1076 VanDerWaalsContact O-N 3.11Å
1077	S	36.1	Very low	35.5	Very low	74 Å²	74	121.6 Å²	121.6	52%	0.517	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.1	-26	178.2	64.5	0	0	0	0	113.6	E1074 M1079	E1074-S1077 PolarHBondContact O-N 3.49Å; E1074-S1077 PolarHBondContact O-OG 3.39Å; S1077-M1079 VanDerWaalsContact C-N 3.31Å; S1077-M1079 PolarHBondContact O-N 2.92Å
1078	M	33.8	Very low	34.8	Very low	147 Å²	147	116.5 Å²	116.5	72%	0.724	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-1.9	-177.1	-63.7	-165.5	-177.2	0	0	115.5	E1074 L1080	E1074-M1078 PolarHBondContact O-N 3.27Å; M1078-L1080 VanDerWaalsContact C-N 3.3Å; M1078-L1080 PolarHBondContact O-N 3.28Å
1079	M	32.8	Very low	34.2	Very low	168 Å²	168	116.6 Å²	116.6	83%	0.828	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-0.4	176.3	-84.3	-70.4	-175.6	0	0	114.7	S1077	S1077-M1079 VanDerWaalsContact C-N 3.31Å; S1077-M1079 PolarHBondContact O-N 2.92Å
1080	L	35.2	Very low	33.6	Very low	163 Å²	163	115.8 Å²	115.8	85%	0.853	73%	0.731	S	S	*	*	S	Bend	trans	-138.1	63.8	-177.8	-80	173.3	0	0	0	113.8	M1078	M1078-L1080 VanDerWaalsContact C-N 3.3Å; M1078-L1080 PolarHBondContact O-N 3.28Å
1081	S	28.1	Very low	33	Very low	110 Å²	110	118.1 Å²	118.1	77%	0.769	75%	0.75	S	S	*	*			trans	-167.8	125	147.4	38.6	0	0	0	0	113.3
1082	T	29.2	Very low	33	Very low	149 Å²	149	118.2 Å²	118.2	91%	0.914	76%	0.757	S	S	*	*			trans	-130.9	115.9	167.8	53.3	0	0	0	0	109.6
1083	A	28.1	Very low	32.2	Very low	109 Å²	109	119.7 Å²	119.7	90%	0.901	77%	0.765	S	S	*	*			trans	-123.4	133.6	171.9	0	0	0	0	0	109.3
1084	A	31.2	Very low	31.6	Very low	100 Å²	100	121.7 Å²	121.7	83%	0.826	78%	0.778	S	S	*	*			trans	-105.3	151.9	-175.4	0	0	0	0	0	112.2
1085	P	40.7	Very low	30.9	Very low	126 Å²	126	121.2 Å²	121.2	82%	0.818	79%	0.787	S	S	*	*			trans	-105.9	161.9	-167.2	40	-35.7	0	0	0	114.8
1086	S	26.6	Very low	30.6	Very low	114 Å²	114	119.7 Å²	119.7	80%	0.797	79%	0.787	S	S	*	*			trans	-177.6	174.6	146.8	57.6	0	0	0	0	109.9
1087	P	41.4	Very low	30.4	Very low	127 Å²	127	122.9 Å²	122.9	83%	0.825	79%	0.79	S	S	*	*				-130.7	161	-69.7	38.2	-23.9	0	0	0	113.4
1088	G	25.2	Very low	30.1	Very low	70 Å²	70	126.6 Å²	126.6	72%	0.722	80%	0.804	S	S	*	*			trans	-172.7	104.8	174.8	0	0	0	0	0	118.6
1089	V	27.2	Very low	29.9	Very low	158 Å²	158	126.9 Å²	126.9	96%	0.958	81%	0.806	S	S	*	*			trans	47.3	124.6	141.8	-170.4	0	0	0	0	120.7
1090	G	26.4	Very low	30.4	Very low	76 Å²	76	124 Å²	124	78%	0.784	80%	0.801	S	S	*	*			trans	132.9	100.7	142.1	0	0	0	0	0	117.9
1091	A	25.5	Very low	30.2	Very low	97 Å²	97	124.1 Å²	124.1	80%	0.802	79%	0.794	S	S	*	*			trans	-96.3	162	156	0	0	0	0	0	109.4
1092	P	38.7	Very low	30.2	Very low	111 Å²	111	125.6 Å²	125.6	72%	0.721	79%	0.789	S	S	*	*				-158.5	160.2	91.7	39.9	-19.9	0	0	0	119.8
1093	L	25.5	Very low	30.3	Very low	153 Å²	153	124.7 Å²	124.7	80%	0.801	78%	0.777	S	S	*	*			trans	67.2	110.8	140.8	-69.6	164.6	0	0	0	124.1
1094	C	22.9	Very low	30	Very low	120 Å²	120	127.5 Å²	127.5	81%	0.811	77%	0.772	S	S	*	*				41.7	159.9	106.5	-63.4	0	0	0	0	123.3
1095	S	26	Very low	29.7	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	77%	0.772	S	S	*	*			cis	175.3	178.7	-21.7	-171.1	0	0	0	0	109.5
1096	S	28.8	Very low	29.2	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	77%	0.767	S	S	*	*			trans	95.5	142.9	163.1	-45.6	0	0	0	0	118.5
1097	Y	30.1	Very low	29.3	Very low	204 Å²	204	130.9 Å²	130.9	80%	0.8	77%	0.771	S	S	*	*			cis	-170.8	160.7	-22.1	-123.7	-63.3	0	0	0	113.2
1098	L	29.2	Very low	28.6	Very low	153 Å²	153	131.5 Å²	131.5	80%	0.801	77%	0.772	S	S	*	*			trans	91.3	152.1	148.2	-75.4	173.5	0	0	0	122.8
1099	I	29.5	Very low	28.5	Very low	152 Å²	152	136.3 Å²	136.3	78%	0.779	78%	0.778	S	S	*	*			trans	-150.8	170.1	-166.5	-39.9	166	0	0	0	107.6
1100	P	43.4	Very low	28.4	Very low	109 Å²	109	134.4 Å²	134.4	71%	0.708	77%	0.767	S	S	*	*			trans	-147.1	135.7	130.6	34.6	-18	0	0	0	118
1101	K	30	Very low	28.4	Very low	164 Å²	164	136 Å²	136	71%	0.713	76%	0.761	S	S	*	*			trans	64.1	151.6	140.5	-68.7	-177.7	162.8	-77.9	0	120
1102	E	29.5	Very low	28.5	Very low	141 Å²	141	140.4 Å²	140.4	66%	0.659	76%	0.763	S	S	*	*			cis	-176.3	166.5	-13.1	-112.1	163.1	-169.5	0	0	108
1103	I	30.1	Very low	27.8	Very low	130 Å²	130	139.3 Å²	139.3	67%	0.667	76%	0.764	S	S	*	*			cis	-162.3	165.5	-7.3	-156.8	171.5	0	0	0	109.9
1104	Q	22.9	Very low	27.7	Very low	168 Å²	168	140 Å²	140	79%	0.785	76%	0.763	S	S	*	*			trans	64.8	133.5	169.9	-72.5	170.5	-9	0	0	117
1105	L	24.6	Very low	27.8	Very low	158 Å²	158	141 Å²	141	83%	0.827	76%	0.759	S	S	*	*			cis	-143.8	148.7	36.3	-156.2	77.1	0	0	0	111.8
1106	P	30.5	Very low	27.7	Very low	111 Å²	111	144.3 Å²	144.3	72%	0.721	76%	0.763	S	S	*	*			trans	-100.1	147.3	-176.9	36.4	-33.2	0	0	0	114.9
1107	T	27.5	Very low	27.7	Very low	143 Å²	143	144.8 Å²	144.8	88%	0.877	76%	0.763	S	S	*	*			trans	-127.4	124.9	165.5	-51.2	0	0	0	0	108.8
1108	T	27	Very low	27.5	Very low	140 Å²	140	143 Å²	143	86%	0.859	77%	0.767	S	S	*	*			trans	-99.8	123.3	-177	50.4	0	0	0	0	111.9
1109	M	22.9	Very low	27.5	Very low	170 Å²	170	141.4 Å²	141.4	84%	0.837	77%	0.766	S	S	*	*			trans	-143.6	155.4	170.8	-152.2	-175.7	-168.5	0	0	109.1
1110	T	24.8	Very low	27.2	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.724	77%	0.767	S	S	*	*			trans	62.9	167.8	172.3	77.7	0	0	0	0	115.1
1111	T	27.6	Very low	26.4	Very low	109 Å²	109	141.8 Å²	141.8	67%	0.669	78%	0.775	S	S	*	*			cis	-153.5	145.7	9.9	-20.3	0	0	0	0	111.8
1112	F	27.1	Very low	26.2	Very low	190 Å²	190	142.8 Å²	142.8	83%	0.833	78%	0.782	S	S	*	*			trans	61.1	154.5	145.1	-95.5	-121.4	0	0	0	123.3
1113	A	23.9	Very low	25.9	Very low	89 Å²	89	142.7 Å²	142.7	74%	0.736	79%	0.791	S	S	*	*			trans	-148.4	142.4	163.6	0	0	0	0	0	109.8
1114	E	23.7	Very low	25.6	Very low	167 Å²	167	143 Å²	143	78%	0.78	80%	0.799	S	S	*	*			trans	-127	129.9	163	-70.4	-175.2	115.2	0	0	105.7
1115	I	24.6	Very low	25.7	Very low	142 Å²	142	138.9 Å²	138.9	73%	0.728	80%	0.801	S	S	*	*				59.8	111.3	69.4	-56.5	167.7	0	0	0	107.7
1116	Q	23.2	Very low	25.7	Very low	171 Å²	171	135.4 Å²	135.4	80%	0.799	80%	0.804	S	S	*	*				-164	-163.1	51.4	-146.6	163.7	60.7	0	0	111.4
1117	P	29.8	Very low	25.5	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	81%	0.811	S	S	*	*				-104.6	179	-95.3	39.1	-24.8	0	0	0	116.4
1118	L	25.2	Very low	25.4	Very low	167 Å²	167	136.9 Å²	136.9	87%	0.874	81%	0.809	S	S	*	*			trans	-126	147.8	160.7	-84.4	170.1	0	0	0	110.8
1119	P	29.7	Very low	25.9	Very low	120 Å²	120	136.7 Å²	136.7	78%	0.779	81%	0.81	S	S	*	*			trans	-86.1	168.1	-179.2	35.6	-36.1	0	0	0	113.8
1120	A	23.6	Very low	26.1	Very low	98 Å²	98	133.2 Å²	133.2	81%	0.81	81%	0.809	S	S	*	*			trans	-84.5	158.9	178.7	0	0	0	0	0	113.6
1121	I	27.3	Very low	26.1	Very low	170 Å²	170	132.7 Å²	132.7	87%	0.872	82%	0.816	S	S	*	*			trans	-131	156.1	168.4	-70.3	-177.2	0	0	0	108.8
1122	E	24.4	Very low	26	Very low	185 Å²	185	131.2 Å²	131.2	86%	0.864	82%	0.822	S	S	*	*			trans	-93.3	171	-147.9	-59.5	171.2	106.4	0	0	117.2
1123	V	22.9	Very low	25.9	Very low	139 Å²	139	126.2 Å²	126.2	84%	0.842	82%	0.817	S	S	*	*			trans	-84.4	135.4	168.2	173.9	0	0	0	0	110.8
1124	T	25.5	Very low	25.9	Very low	138 Å²	138	131.3 Å²	131.3	85%	0.847	83%	0.825	S	S	*	*			trans	-136.7	153.3	157.4	52.1	0	0	0	0	108
1125	G	24	Very low	26.1	Very low	80 Å²	80	127.6 Å²	127.6	83%	0.825	82%	0.823	S	S	*	*			cis	157.7	131.3	-2.4	0	0	0	0	0	108.5
1126	G	24.2	Very low	26.3	Very low	86 Å²	86	125.8 Å²	125.8	89%	0.887	83%	0.829	S	S	*	*			trans	-165.8	127.1	-173.9	0	0	0	0	0	114
1127	A	25.9	Very low	26.4	Very low	104 Å²	104	121.3 Å²	121.3	86%	0.86	83%	0.829	S	S	*	*			trans	-98.8	163.9	-159.6	0	0	0	0	0	116.7
1128	Q	25.7	Very low	26.2	Very low	181 Å²	181	123.7 Å²	123.7	85%	0.846	84%	0.836	S	S	*	*			trans	-59.6	167	160.7	-107	169.9	-7.8	0	0	112.7
1129	P	38.1	Very low	26.3	Very low	135 Å²	135	120.3 Å²	120.3	88%	0.877	83%	0.832	S	S	*	*				-143.9	-170.2	60.1	38.3	-16.2	0	0	0	116.7
1130	A	26.2	Very low	26.3	Very low	98 Å²	98	118.7 Å²	118.7	81%	0.81	83%	0.829	S	S	*	*			trans	-126.1	170.3	-160.3	0	0	0	0	0	115.1
1131	A	25.4	Very low	26.5	Very low	106 Å²	106	124.8 Å²	124.8	88%	0.876	83%	0.831	S	S	*	*			trans	-161.8	146.3	163.5	0	0	0	0	0	113.9
1132	G	25.1	Very low	26.4	Very low	78 Å²	78	124.4 Å²	124.4	80%	0.804	83%	0.825	S	S	*	*			trans	104.2	70.8	132.7	0	0	0	0	0	122.7
1133	A	25.3	Very low	26.4	Very low	86 Å²	86	120.7 Å²	120.7	71%	0.711	82%	0.82	S	S	*	*			trans	23.2	131	139	0	0	0	0	0	124.6
1134	Q	25.2	Very low	27.3	Very low	195 Å²	195	120 Å²	120	91%	0.911	82%	0.818	S	S	*	*				45.6	152.7	120.2	-57.8	177.3	-38.7	0	0	121.5
1135	A	27.1	Very low	27.6	Very low	89 Å²	89	118.2 Å²	118.2	74%	0.736	82%	0.817	S	S	*	*			cis	-160.2	165.2	17.4	0	0	0	0	0	115.5
1136	A	27.5	Very low	27.8	Very low	105 Å²	105	119.2 Å²	119.2	87%	0.868	82%	0.818	S	S	*	*			trans	62	152.2	144.7	0	0	0	0	0	123.1
1137	G	25.4	Very low	27.8	Very low	77 Å²	77	118.5 Å²	118.5	79%	0.794	81%	0.81	S	S	*	*			trans	165.9	22.9	174.5	0	0	0	0	0	122.2
1138	D	26.5	Very low	28.9	Very low	160 Å²	160	119 Å²	119	86%	0.856	81%	0.805	S	S	*	*			trans	7.6	147.2	169.9	-75.7	-56.4	0	0	0	127.1
1139	A	28.3	Very low	29.2	Very low	96 Å²	96	118.7 Å²	118.7	79%	0.793	80%	0.803	S	S	*	*			trans	75.9	148.6	140.3	0	0	0	0	0	122.7
1140	A	29.4	Very low	28.7	Very low	87 Å²	87	116.5 Å²	116.5	72%	0.719	80%	0.797	S	S	*	*			cis	-171.2	166.8	-19.8	0	0	0	0	0	112.9
1141	R	27.6	Very low	28.9	Very low	225 Å²	225	116.2 Å²	116.2	85%	0.849	79%	0.794	S	S	*	*			trans	73.2	153.2	165.2	-72.2	174	175.2	179.6	2.2	117.5
1142	E	24.8	Very low	29.1	Very low	162 Å²	162	116.2 Å²	116.2	76%	0.757	80%	0.795	S	S	*	*			cis	-145.9	165.4	10.6	-144.8	148.4	-127.6	0	0	113.7
1143	S	24.5	Very low	29.2	Very low	108 Å²	108	117.2 Å²	117.2	76%	0.755	80%	0.795	S	S	*	*			trans	-130.9	164.5	179.7	-47.5	0	0	0	0	111.2
1144	P	42.5	Very low	29.4	Very low	124 Å²	124	121 Å²	121	81%	0.805	80%	0.796	S	S	*	*				-144.4	145.3	96.3	24.2	-2.2	0	0	0	114.4
1145	A	30.7	Very low	30.2	Very low	100 Å²	100	117 Å²	117	83%	0.826	79%	0.787	S	S	*	*				76.3	149.4	78.3	0	0	0	0	0	114.8
1146	A	27.7	Very low	30.3	Very low	101 Å²	101	118.4 Å²	118.4	84%	0.835	78%	0.782	S	S	*	*			cis	-146.1	174.8	13.2	0	0	0	0	0	113.9
1147	G	24.8	Very low	30.4	Very low	71 Å²	71	121.2 Å²	121.2	73%	0.732	78%	0.782	S	S	*	*			trans	-93.4	-130.4	176.8	0	0	0	0	0	113.3
1148	P	49.7	Very low	30.5	Very low	115 Å²	115	126 Å²	126	75%	0.747	78%	0.783	S	S	*	*			cis	-127.2	-154.5	7.4	42.2	-22	0	0	0	111.6
1149	E	31.8	Very low	30.6	Very low	174 Å²	174	125.7 Å²	125.7	81%	0.813	78%	0.777	S	S	*	*			cis	-161.5	175	-0.9	-146.5	157.1	102.9	0	0	112.7
1150	A	27.8	Very low	30.6	Very low	89 Å²	89	127.2 Å²	127.2	74%	0.736	77%	0.771	S	S	*	*			trans	68.3	147.4	146.3	0	0	0	0	0	123
1151	A	29.2	Very low	30.5	Very low	92 Å²	92	129.6 Å²	129.6	76%	0.76	78%	0.776	S	S	*	*			cis	-170.9	138.1	-25.5	0	0	0	0	0	113.1
1152	A	30.4	Very low	30.4	Very low	107 Å²	107	122.5 Å²	122.5	88%	0.884	77%	0.765	S	S	*	*			trans	57.3	166	152.7	0	0	0	0	0	119.8
1153	A	26.5	Very low	30.5	Very low	99 Å²	99	122.7 Å²	122.7	82%	0.818	77%	0.771	S	S	*	*			cis	-150.5	176.2	2.7	0	0	0	0	0	112.8
1154	K	29.2	Very low	30.6	Very low	164 Å²	164	123.7 Å²	123.7	71%	0.713	77%	0.772	S	S	*	*			trans	-130.7	151.9	168.7	-112.5	-165.5	163.7	-138.9	0	109.2	D1156	K1154-D1156 IonicContact NZ-OD1 3.73Å; K1154-D1156 PolarHBondContact NZ-OD1 3.14Å
1155	P	43.5	Very low	30.8	Very low	113 Å²	113	123 Å²	123	73%	0.734	77%	0.768	S	S	*	*				-132.5	168.7	89.7	13.8	10.5	0	0	0	112
1156	D	29	Very low	31.3	Very low	117 Å²	117	124 Å²	124	63%	0.626	77%	0.766	S	S	*	*			cis	72.1	136.7	42.8	-51.4	-21.7	0	0	0	112.4	K1154	K1154-D1156 IonicContact NZ-OD1 3.73Å; K1154-D1156 PolarHBondContact NZ-OD1 3.14Å
1157	L	28.6	Very low	31.7	Very low	165 Å²	165	124.6 Å²	124.6	86%	0.864	76%	0.764	S	S	*	*			cis	-157.3	-170.8	-0.8	-174.2	51.6	0	0	0	109.5
1158	E	28.3	Very low	32.5	Very low	177 Å²	177	126.1 Å²	126.1	83%	0.827	76%	0.761	S	S	*	*			trans	88	149.2	171.1	-62.1	-179	-177.4	0	0	118.3
1159	E	27.9	Very low	31.4	Very low	153 Å²	153	130.4 Å²	130.4	72%	0.715	77%	0.768	S	S	*	*			cis	-160.5	170.6	-40.6	-139.4	-158.8	146	0	0	111
1160	L	27.8	Very low	31.5	Very low	129 Å²	129	132.1 Å²	132.1	68%	0.675	77%	0.768	S	S	*	*			trans	63.1	117.1	154	-71.8	159.1	0	0	0	122.9
1161	V	28.2	Very low	31.5	Very low	136 Å²	136	134.8 Å²	134.8	82%	0.824	77%	0.77	S	S	*	*			trans	87.7	135.8	137.9	177.9	0	0	0	0	120
1162	A	25.9	Very low	31.5	Very low	76 Å²	76	134.3 Å²	134.3	63%	0.628	76%	0.761	S	S	*	*			trans	-79.7	171.5	-179.1	0	0	0	0	0	112.3
1163	L	27.2	Very low	31.5	Very low	167 Å²	167	135.4 Å²	135.4	87%	0.874	76%	0.756	S	S	*	*				-159.6	157.2	61.7	-76.2	163.1	0	0	0	112.7
1164	T	26.9	Very low	31.4	Very low	128 Å²	128	137.3 Å²	137.3	79%	0.785	75%	0.752	S	S	*	*			trans	-81.2	169.9	163	51	0	0	0	0	111.5
1165	P	46.7	Very low	31.3	Very low	111 Å²	111	134.8 Å²	134.8	72%	0.721	76%	0.755	S	S	*	*			cis	-117.5	-150.2	-15.9	30.2	-7.4	0	0	0	109.9
1166	P	40	Very low	30.4	Very low	119 Å²	119	133.1 Å²	133.1	77%	0.773	76%	0.759	S	S	*	*				-149.7	158.3	81.3	39.3	-21.3	0	0	0	117.1
1167	S	35.4	Very low	30.2	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	77%	0.765	S	S	*	*			trans	-129.4	114.3	160.9	57.5	0	0	0	0	109.7
1168	P	42.4	Very low	30	Very low	103 Å²	103	131.1 Å²	131.1	67%	0.669	76%	0.762	S	S	*	*			trans	-111.9	157.3	176.9	39.7	-31.2	0	0	0	112.1
1169	F	27.8	Very low	29.9	Very low	204 Å²	204	128.7 Å²	128.7	90%	0.895	76%	0.76	S	S	*	*			cis	-127.2	172.3	8.5	-103.7	-77.2	0	0	0	112.9
1170	R	33.7	Very low	30.6	Very low	211 Å²	211	126.4 Å²	126.4	80%	0.796	76%	0.758	S	S	*	*			trans	-110.2	169	179.9	-54.9	165	88.5	-161.5	10.3	110.4
1171	D	26.6	Very low	30.4	Very low	145 Å²	145	127.4 Å²	127.4	78%	0.775	76%	0.764	S	S	*	*				175.7	149.7	113.7	-92.9	-20	0	0	0	112.3
1172	S	30.6	Very low	30.2	Very low	82 Å²	82	126.2 Å²	126.2	57%	0.573	76%	0.762	S	S	*	*			cis	-166.8	-168.5	-19.5	-122.5	0	0	0	0	111.1
1173	V	28.4	Very low	31.2	Very low	129 Å²	129	128.1 Å²	128.1	78%	0.782	77%	0.768	S	S	*	*			trans	88.9	85.2	161.4	-164.2	0	0	0	0	118.7
1174	D	25.6	Very low	31	Very low	139 Å²	139	126.1 Å²	126.1	74%	0.743	76%	0.763	S	S	*	*				71.2	115.3	121.7	-81.3	47.4	0	0	0	126.8
1175	S	27.3	Very low	30.9	Very low	111 Å²	111	124.5 Å²	124.5	78%	0.776	76%	0.756	S	S	*	*				82.8	136	113.5	-63.5	0	0	0	0	122.2
1176	G	24.9	Very low	29.8	Very low	78 Å²	78	127.2 Å²	127.2	80%	0.804	76%	0.759	S	S	*	*			trans	146.1	86.8	158.8	0	0	0	0	0	117
1177	S	24	Very low	29.1	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	76%	0.759	S	S	*	*			trans	-70.2	155.3	152.8	52.4	0	0	0	0	109.2
1178	T	25.1	Very low	28.6	Very low	130 Å²	130	126.3 Å²	126.3	80%	0.798	76%	0.762	S	S	*	*				-170.2	162.1	64.2	43	0	0	0	0	113.3
1179	T	25.2	Very low	27.7	Very low	127 Å²	127	129.2 Å²	129.2	78%	0.779	77%	0.771	S	S	*	*			trans	-83.7	167.1	154.5	56.5	0	0	0	0	110.2
1180	P	42.2	Very low	27.4	Very low	104 Å²	104	125.2 Å²	125.2	68%	0.675	77%	0.767	S	S	*	*			cis	-146.5	-153.9	21.4	36.1	-10.2	0	0	0	114.8
1181	N	24.1	Very low	27.3	Very low	150 Å²	150	123 Å²	123	80%	0.802	77%	0.769	S	S	*	*			trans	89.9	108.1	153.9	-64.4	-12.5	0	0	0	121.3
1182	S	24	Very low	27.7	Very low	111 Å²	111	121.7 Å²	121.7	78%	0.776	77%	0.769	S	S	*	*			trans	-63.3	-171	145.6	-24.7	0	0	0	0	111.8
1183	P	46.8	Very low	27.3	Very low	116 Å²	116	123.2 Å²	123.2	75%	0.753	78%	0.78	S	S	*	*			cis	-139.2	-161.1	0.6	25.9	1.6	0	0	0	115.1
1184	V	23.5	Very low	27.3	Very low	126 Å²	126	121.8 Å²	121.8	76%	0.764	78%	0.776	S	S	*	*			trans	116.5	107.6	144.6	-178.6	0	0	0	0	119.4
1185	S	24.3	Very low	27.6	Very low	93 Å²	93	121 Å²	121	65%	0.65	78%	0.778	S	S	*	*			trans	73.1	123.6	138.9	-70	0	0	0	0	126.8
1186	E	24.3	Very low	27.6	Very low	168 Å²	168	122.9 Å²	122.9	79%	0.785	77%	0.772	S	S	*	*				81.4	118.4	121.4	-69.5	-171.6	115.7	0	0	125
1187	S	24	Very low	27.8	Very low	110 Å²	110	127.7 Å²	127.7	77%	0.769	77%	0.767	S	S	*	*				72.1	114.1	122.6	-59.2	0	0	0	0	122.4
1188	A	25.2	Very low	28	Very low	106 Å²	106	128 Å²	128	88%	0.876	76%	0.76	S	S	*	*			trans	-157.2	168.3	144.4	0	0	0	0	0	111.9
1189	L	24.1	Very low	28.2	Very low	163 Å²	163	127.1 Å²	127.1	85%	0.853	76%	0.755	S	S	*	*			trans	-126.7	151.4	-170.9	-87.3	160.3	0	0	0	113.6
1190	C	21.7	Very low	28.2	Very low	120 Å²	120	129.2 Å²	129.2	81%	0.811	76%	0.76	S	S	*	*			trans	74.6	145.7	149.1	-69.1	0	0	0	0	123.3
1191	I	31.1	Very low	27.5	Very low	164 Å²	164	131 Å²	131	84%	0.841	76%	0.762	S	S	*	*			trans	-83.7	145.6	172.3	-61	148.2	0	0	0	107.7
1192	P	34.5	Very low	27.6	Very low	118 Å²	118	130.6 Å²	130.6	77%	0.766	76%	0.759	S	S	*	*				-146.8	-164.4	63.2	43.1	-20.4	0	0	0	113.9
1193	S	22.8	Very low	27.7	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	76%	0.76	S	S	*	*			cis	-164.2	172.1	22.8	51.9	0	0	0	0	113.7
1194	S	28.4	Very low	26.7	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	76%	0.755	S	S	*	*			trans	-82.9	172.5	175.9	62.5	0	0	0	0	114.9
1195	P	33	Very low	26.8	Very low	121 Å²	121	139.1 Å²	139.1	79%	0.786	76%	0.756	S	S	*	*				-140.7	136.6	116.3	37	-24.8	0	0	0	117.2
1196	K	27.3	Very low	26.9	Very low	152 Å²	152	140 Å²	140	66%	0.661	76%	0.758	S	S	*	*				10.6	151.7	122.3	-63	-172.2	171.1	178.9	0	118.7
1197	Y	28.2	Very low	27.2	Very low	179 Å²	179	140 Å²	140	70%	0.702	76%	0.758	S	S	*	*			cis	-170.4	-178.3	6.4	-108	1.4	0	0	0	106.1
1198	D	28.3	Very low	27.3	Very low	117 Å²	117	140 Å²	140	63%	0.626	76%	0.758	S	S	*	*			cis	-159.2	-170	-0.1	-125.5	-34.7	0	0	0	106.3
1199	T	28.6	Very low	27.5	Very low	111 Å²	111	139.3 Å²	139.3	68%	0.681	75%	0.746	S	S	*	*			cis	-153.1	164.5	-1.1	-5.8	0	0	0	0	109.2
1200	L	25	Very low	27.7	Very low	171 Å²	171	137 Å²	137	90%	0.895	74%	0.744	S	S	*	*			trans	-150.5	161	145	-117.5	172.3	0	0	0	109.2
1201	I	27.8	Very low	28	Very low	140 Å²	140	136.6 Å²	136.6	72%	0.718	74%	0.742	S	S	*	*			trans	-123.1	164.5	-148.9	-40.8	169.2	0	0	0	113.1
1202	I	26.5	Very low	28	Very low	142 Å²	142	140.1 Å²	140.1	73%	0.728	76%	0.762	S	S	*	*			trans	91.2	125.3	164.1	-56.1	177.7	0	0	0	113.5
1203	R	26	Very low	27.7	Very low	212 Å²	212	141.3 Å²	141.3	80%	0.8	76%	0.761	S	S	*	*			cis	-151.8	157.6	16.4	-147.3	156.6	-172.5	153.2	0.8	115.7
1204	D	26.9	Very low	27.9	Very low	122 Å²	122	142.7 Å²	142.7	65%	0.652	76%	0.76	S	S	*	*			trans	-7	150.8	152.3	-48.5	-39	0	0	0	120.9
1205	Y	25.6	Very low	27.9	Very low	199 Å²	199	145.1 Å²	145.1	78%	0.78	76%	0.763	S	S	*	*			cis	-170.5	-175.8	-23.7	-145.7	-95.3	0	0	0	109.9
1206	T	26.3	Very low	27.6	Very low	112 Å²	112	146.5 Å²	146.5	69%	0.687	76%	0.762	S	S	*	*			trans	73.4	79	162.5	45.6	0	0	0	0	121.4
1207	Q	29.7	Very low	27.6	Very low	168 Å²	168	146.1 Å²	146.1	79%	0.785	77%	0.768	S	S	*	*				68.1	123.2	111.8	-76	-176.1	-19.8	0	0	124.5
1208	S	26.2	Very low	27.6	Very low	109 Å²	109	143.9 Å²	143.9	76%	0.762	77%	0.772	S	S	*	*			trans	76.3	142.4	130.6	-77.3	0	0	0	0	122.4
1209	S	30	Very low	27.5	Very low	92 Å²	92	145.9 Å²	145.9	64%	0.643	78%	0.783	S	S	*	*			cis	-177.8	152.7	-17.2	47.9	0	0	0	0	111.3
1210	S	26.9	Very low	27.5	Very low	114 Å²	114	148.5 Å²	148.5	80%	0.797	79%	0.791	S	S	*	*			trans	68.5	152.1	158.6	-51.1	0	0	0	0	116.7
1211	S	28.3	Very low	27.7	Very low	111 Å²	111	146.7 Å²	146.7	78%	0.776	78%	0.782	S	S	*	*			cis	-167.1	149.4	-17.2	44.4	0	0	0	0	105.2
1212	L	31.7	Very low	27.7	Very low	239 Å²	239	147.3 Å²	147.3	100%	1.251	79%	0.788	S	S	*	*				-157	0	50.4	-156.2	172.3	0	0	0	108.9

Retrieved 1,212 of 1,212 residues in 382.4 ms (Link to these results)

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