A0A077Z8D0_TRITR Loading...

tryptophan--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077Z8D0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,008 aa.

						>A0A077Z8D0_TRITR|A0A077Z8D0
MPKPLRSSNSEQSKMTRIAIVSADRCKPKNCGQVCRKSCPVVRMGKQCIEVTATSKIAFISETLCIGCGICVKKCPYGAISIINLPSNLDKDTTHRYGFNSFKLHRLPTPRPGEILGLVGTNGIGKSTALKILSGKLKPNLGNFKNPPEWHEILAYFRGSELQNYFTKLLEDNLRAVIKPQYVDQIPQAAKGVVRDMFLKKDDLGRMEEMADMLDLNKLMDRNISDLSGGELQRFAIAIVCIQRADIYMFDEPSSYLDVKQRLKAAVTIRSMVNSTNFSIVVEHDLSVLDYLSDFICVLYGVPGAYGVVTMPFSVREGINIFLDGFVPTENLRFRESSLSFKVSDQSLDEQIKRVSRYHYPSMKKKLGNFELTVEDGEFTDSEIIVLLGENGTGKTTMIKLLAGKLQPDEESGEIPQLSISYKPQKISPKSQCKVSELLRAKIPDAFIHPQFSADVLKPLDLDNLKDQEVQNLSGGELQRVALALCLGKPADVYLIDEPSAYLDSEQRLHAAKVIKRFILHAKKTAFVVEHDFIMATYLADRVVVFSGNPSSEAVAASPQSLLNGMNKFLGLLDITFRRDPNNFRPRINKLNSVKVTRLLYFFAANCFYYYCFIFSAGYGAEKVRKLFLSRRLIIVWIGTLTSCYKAILAPLRMAARSVVTSISRGLCTSGHTSIGEVVMSGIQPSGRMHIGNYFGAASQWLRLQSDPSCRRLYLCIADLHALSSSCDPEQLRRDVITMTASLMACGLGPPKCVIFQQSSVSCHGNMYWLLGTFVTLPQLQHLTHYREKATKYKDGNVPLGLFTYPVLQAADILLYRPDVVPVGEDQTQHLRLTQKLARSLNVRYKSALFPIPRQMMAQWPRIKSLRNPAKKMSKSDDDVKGCVYVDDPPEVILERVKKAITDFVSAVTYEPEERPGVANLIRIYCAATGQSESQVVDYFVGKTTAEFKLELADVLAHTFRPVREQVKRLLSNQDVILKTLANGAKEAEVVAMETLESLKRAVGLQVK
					

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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	34.7	Very low	33.3	Very low	242 Å²	242	159.2 Å²	159.2	100%	1.192	86%	0.855	S	S	*	*				0	112.8	0	-79.8	-169.6	168.1	0	0	110.2
2	P	38.3	Very low	33.6	Very low	130 Å²	130	160.5 Å²	160.5	84%	0.844	85%	0.852	S	S	*	*			trans	-123	147.7	140.7	20.3	-1.5	0	0	0	110.6
3	K	36.5	Very low	34.2	Very low	203 Å²	203	156.3 Å²	156.3	88%	0.883	84%	0.843	S	S	*	*			trans	-61.6	147.5	-177.7	-76.7	174.5	174.6	174	0	112.7
4	P	31.7	Very low	35.9	Very low	123 Å²	123	157.7 Å²	157.7	80%	0.799	84%	0.838	S	S	*	*			trans	-80.1	129.5	174.7	29.5	-25	0	0	0	111.3	R6	P4-R6 PolarHBondContact O-N 2.73Å
5	L	35.3	Very low	37.9	Very low	183 Å²	183	155.5 Å²	155.5	96%	0.958	82%	0.822	S	S	*	*			trans	-67.7	114.6	174.5	-80.6	152.4	0	0	0	110.6
6	R	31.9	Very low	40	Very low	232 Å²	232	147.4 Å²	147.4	88%	0.875	78%	0.781	S	S	*	*			trans	-83.8	132.7	167.2	-78.7	179.2	171.3	178.9	-3.2	110.4	P4	P4-R6 PolarHBondContact O-N 2.73Å
7	S	27.3	Very low	42.5	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	75%	0.754	S	S	*	*			trans	53	108.9	148	62.4	0	0	0	0	120.7
8	S	31.7	Very low	44.7	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	71%	0.712	S	S	*	*			trans	-140.7	31.5	164.7	59	0	0	0	0	114.5
9	N	31.4	Very low	46.9	Very low	153 Å²	153	128.7 Å²	128.7	82%	0.818	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	16.9	-179.7	-90.2	-3.7	0	0	0	115.5
10	S	31.9	Very low	48.9	Very low	110 Å²	110	123 Å²	123	77%	0.769	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	3.7	-177.6	60.4	0	0	0	0	116.1	Q12	S10-Q12 PolarHBondContact O-N 3.36Å
11	E	36.2	Very low	50.7	Low	155 Å²	155	117.7 Å²	117.7	72%	0.724	62%	0.618	S	S	*	*			trans	-85.4	-0.3	-176.1	-76.5	-165.9	153	0	0	115.5	S13	E11-S13 PolarHBondContact O-N 3.24Å
12	Q	36	Very low	53	Low	175 Å²	175	107.8 Å²	107.8	82%	0.818	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	18.9	-164.3	-74.5	-175.2	-7.8	0	0	117.7	S10	S10-Q12 PolarHBondContact O-N 3.36Å
13	S	42.3	Very low	55	Low	106 Å²	106	104.2 Å²	104.2	74%	0.741	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.2	18	-179.3	65	0	0	0	0	118.1	E11 M15	E11-S13 PolarHBondContact O-N 3.24Å; S13-M15 PolarHBondContact O-N 3.36Å
14	K	57.8	Low	56.9	Low	176 Å²	176	100.9 Å²	100.9	77%	0.765	55%	0.546	S	S	*	.			trans	-91.2	83	-178.3	-147.9	176.2	-170.6	179.5	0	112.1	T16 S87	K14-T16 PolarHBondContact O-N 3.42Å; K14-S87 WeakPolarHBondContact O-CB 3.09Å
15	M	66.3	Low	59.2	Low	124 Å²	124	98.1 Å²	98.1	61%	0.611	52%	0.52	S	S	*	.			trans	-51.1	129.1	175.2	-74	-173.4	-92.5	0	0	111.4	S13	S13-M15 PolarHBondContact O-N 3.36Å
16	T	71.2	Confident	61.6	Low	27 Å²	27	90.1 Å²	90.1	17%	0.166	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	149.7	178.2	53.5	0	0	0	0	109.5	K14 L85 D90	K14-T16 PolarHBondContact O-N 3.42Å; T16-L85 PolarHBondContact N-O 2.97Å; T16-L85 PolarHBondContact O-N 3.23Å; T16-L85 PolarHBondContact OG1-O 3.17Å; T16-D90 WeakPolarHBondContact CB-OD2 3.09Å; T16-D90 HydrophobicContact CG2-CB 4.03Å; T16-D90 WeakPolarHBondContact CG2-OD2 3.47Å; T16-D90 PolarHBondContact OG1-OD2 3.14Å
17	R	81.5	Confident	64.1	Low	84 Å²	84	84.4 Å²	84.4	32%	0.317	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.2	-170.3	-62.5	170.8	-177	130.8	4.3	108.6	E62 C65 I66 I83	R17-E62 WeakPolarHBondContact O-CB 3.23Å; R17-E62 WeakPolarHBondContact O-CG 3.17Å; R17-C65 WeakPolarHBondContact CD-O 3.39Å; R17-C65 PolarHBondContact NH1-O 3.15Å; R17-I66 VanDerWaalsContact NE-C 3.31Å; R17-I66 PolarHBondContact NE-O 3Å; R17-I66 PolarHBondContact NH2-O 3.17Å; R17-I66 VanDerWaalsContact NH2-O 3.12Å; R17-I83 WeakPolarHBondContact CA-O 3.37Å
18	I	82.1	Confident	66.9	Low	1 Å²	1	79.1 Å²	79.1	1%	0.005	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.4	171.1	-56.6	-171.2	0	0	0	108	I20 I82 I83 L85 K103	I18-I20 HydrophobicContact CB-CD1 4.32Å; I18-I20 HydrophobicContact CG2-CD1 3.45Å; I18-I20 VanDerWaalsContact CG2-CD1 3.45Å; I18-I20 HydrophobicContact CG2-CG1 3.87Å; I18-I82 WeakPolarHBondContact O-CA 3.12Å; I18-I83 PolarHBondContact N-O 3.23Å; I18-I83 PolarHBondContact O-N 3.23Å; I18-L85 HydrophobicContact CD1-CD1 3.21Å; I18-L85 HydrophobicContact CD1-CG 4.17Å; I18-L85 HydrophobicContact CG1-CD1 3.71Å; I18-L85 HydrophobicContact CG1-CG 4.31Å; I18-K103 HydrophobicContact CD1-CB 4.32Å; I18-K103 HydrophobicContact CD1-CD 3.64Å
19	A	87.4	Confident	69.4	Low	1 Å²	1	81.8 Å²	81.8	1%	0.008	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.6	170.6	0	0	0	0	0	108.2	I60 E62 S81 N100	A19-I60 HydrophobicContact CB-CB 3.8Å; A19-I60 HydrophobicContact CB-CD1 4.39Å; A19-I60 HydrophobicContact CB-CG2 3.63Å; A19-E62 HydrophobicContact CB-CG 4.31Å; A19-E62 PolarHBondContact N-OE1 3.15Å; A19-S81 WeakPolarHBondContact CA-O 3.37Å; A19-N100 WeakPolarHBondContact O-CA 3.24Å; A19-N100 VanDerWaalsContact O-CB 3.27Å; A19-N100 WeakPolarHBondContact O-CB 3.48Å; A19-N100 VanDerWaalsContact O-CG 3.3Å
20	I	86.3	Confident	72	Confident	15 Å²	15	79.9 Å²	79.9	8%	0.077	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.8	174.3	-65.1	112.4	0	0	0	109.3	I18 I80 S81 I83 N100 A305	I18-I20 HydrophobicContact CB-CD1 4.32Å; I18-I20 HydrophobicContact CG2-CD1 3.45Å; I18-I20 VanDerWaalsContact CG2-CD1 3.45Å; I18-I20 HydrophobicContact CG2-CG1 3.87Å; I20-I80 WeakPolarHBondContact O-CA 3.3Å; I20-S81 PolarHBondContact N-O 3.41Å; I20-S81 PolarHBondContact O-N 3Å; I20-I83 HydrophobicContact CD1-CD1 3.88Å; I20-N100 WeakPolarHBondContact CA-O 3.22Å; I20-A305 VanDerWaalsContact CD1-CA 3.41Å; I20-A305 HydrophobicContact CD1-CB 3.23Å; I20-A305 HydrophobicContact CG1-CB 4.05Å
21	V	87.6	Confident	74.5	Confident	11 Å²	11	75.7 Å²	75.7	7%	0.067	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	114.5	175.8	-176.1	0	0	0	0	108.2	A23 C26 I57 I60 A79 I80 N100	V21-A23 PolarHBondContact O-N 3.4Å; V21-C26 HydrophobicContact CG1-CB 3.85Å; V21-I57 HydrophobicContact CB-CG2 4.15Å; V21-I57 HydrophobicContact CG1-CG2 3.61Å; V21-I60 HydrophobicContact CG2-CD1 3.68Å; V21-I60 HydrophobicContact CG2-CG1 4.06Å; V21-A79 WeakPolarHBondContact CA-O 2.98Å; V21-I80 HydrophobicContact CG2-CG1 4.39Å; V21-N100 HydrophobicContact CB-CB 4.2Å; V21-N100 HydrophobicContact CG2-CB 4.1Å; V21-N100 WeakPolarHBondContact CG2-ND2 3.43Å; V21-N100 PolarHBondContact N-O 2.95Å
22	S	81.9	Confident	76.8	Confident	34 Å²	34	70.1 Å²	70.1	24%	0.238	37%	0.366	C	S	.	.			trans	-70.6	118.8	176.7	170.3	0	0	0	0	109.7	D24 R25 C26 A79	S22-D24 PolarHBondContact O-N 3.38Å; S22-R25 PolarHBondContact O-N 3.34Å; S22-C26 WeakPolarHBondContact O-CB 3.39Å; S22-C26 PolarHBondContact O-N 3.1Å; S22-A79 PolarHBondContact N-O 2.85Å
23	A	80.9	Confident	79.3	Confident	55 Å²	55	63.6 Å²	63.6	46%	0.455	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.4	178.3	0	0	0	0	0	112.1	V21 I57	V21-A23 PolarHBondContact O-N 3.4Å; A23-I57 HydrophobicContact CB-CD1 3.54Å; A23-I57 HydrophobicContact CB-CG1 4.26Å
24	D	76.8	Confident	81.6	Confident	133 Å²	133	60.8 Å²	60.8	71%	0.711	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-33.9	-175.5	-48.4	-47.6	0	0	0	112.4	S22	S22-D24 PolarHBondContact O-N 3.38Å
25	R	79.7	Confident	83.2	Confident	66 Å²	66	52.8 Å²	52.8	25%	0.249	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-27.5	-179.2	-60	-176.7	-170.5	178.1	0.9	112.9	S22 K27 Y77 A79	S22-R25 PolarHBondContact O-N 3.34Å; R25-K27 PolarHBondContact O-N 2.72Å; R25-K27 VanDerWaalsContact O-N 3.13Å; R25-Y77 WeakPolarHBondContact O-CB 3.4Å; R25-A79 HydrophobicContact CB-CB 3.62Å
26	C	84.8	Confident	84.4	Confident	15 Å²	15	52.1 Å²	52.1	10%	0.101	27%	0.271	C	S	.	.			trans	-74.3	107.4	-176.3	-165	0	0	0	0	110.5	V21 S22 P28 A58 A79	V21-C26 HydrophobicContact CG1-CB 3.85Å; S22-C26 WeakPolarHBondContact O-CB 3.39Å; S22-C26 PolarHBondContact O-N 3.1Å; C26-P28 WeakPolarHBondContact O-CD 3.2Å; C26-A58 PolarHBondContact SG-N 3.37Å; C26-A79 HydrophobicContact CB-CB 4.03Å
27	K	85.1	Confident	85.3	Confident	112 Å²	112	57.3 Å²	57.3	49%	0.487	29%	0.291	S	S	.	.			trans	-118.9	81.4	173.4	-65.2	-179.6	-178	178.6	0	110.7	R25 K29 N30 C31 Y77	R25-K27 PolarHBondContact O-N 2.72Å; R25-K27 VanDerWaalsContact O-N 3.13Å; K27-K29 PolarHBondContact O-N 3.37Å; K27-K29 VanDerWaalsContact O-N 3.14Å; K27-N30 HydrophobicContact CB-CB 4.42Å; K27-N30 PolarHBondContact O-N 2.64Å; K27-N30 VanDerWaalsContact O-N 3.07Å; K27-C31 PolarHBondContact O-N 3.16Å; K27-Y77 HydrophobicContact CB-CD2 4.46Å; K27-Y77 HydrophobicContact CB-CE2 4.05Å
28	P	85.9	Confident	85.8	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.032	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.4	-178.2	-29.8	38.2	0	0	0	114.8	C26 V51 S55 K56	C26-P28 WeakPolarHBondContact O-CD 3.2Å; P28-V51 HydrophobicContact CB-CG2 3.66Å; P28-V51 HydrophobicContact CG-CG2 3.89Å; P28-S55 WeakPolarHBondContact CG-O 3.45Å; P28-K56 WeakPolarHBondContact CD-O 3.41Å
29	K	85	Confident	86.2	Confident	159 Å²	159	54.6 Å²	54.6	69%	0.691	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-41.3	176.8	-69.2	-176.3	178.6	-173.7	0	112.7	K27 A53	K27-K29 PolarHBondContact O-N 3.37Å; K27-K29 VanDerWaalsContact O-N 3.14Å; K29-A53 VanDerWaalsContact CG-O 3.22Å; K29-A53 WeakPolarHBondContact CG-O 3.45Å
30	N	85	Confident	86.5	Confident	114 Å²	114	56.3 Å²	56.3	61%	0.61	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-24	-171.3	-63.4	7	0	0	0	112.8	K27 G32 Y77	K27-N30 HydrophobicContact CB-CB 4.42Å; K27-N30 PolarHBondContact O-N 2.64Å; K27-N30 VanDerWaalsContact O-N 3.07Å; N30-G32 VanDerWaalsContact C-N 3.35Å; N30-Y77 HydrophobicContact CB-CE2 4.36Å; N30-Y77 WeakPolarHBondContact CB-OH 3.41Å
31	C	85.1	Confident	86.8	Confident	22 Å²	22	56 Å²	56	15%	0.149	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4	-177.7	72.5	0	0	0	0	114.1	K27 Q33 V34 P76 Y77	K27-C31 PolarHBondContact O-N 3.16Å; C31-Q33 PolarHBondContact O-N 2.85Å; C31-Q33 VanDerWaalsContact O-N 3.08Å; C31-Q33 PolarHBondContact SG-N 3.05Å; C31-Q33 VanDerWaalsContact SG-N 3.42Å; C31-V34 WeakPolarHBondContact O-CG2 3.31Å; C31-V34 PolarHBondContact O-N 2.81Å; C31-P76 HydrophobicContact CB-CG 3.7Å; C31-Y77 HydrophobicContact CB-CD2 4.35Å; C31-Y77 HydrophobicContact CB-CE2 3.94Å
32	G	84.3	Confident	87	Confident	38 Å²	38	57 Å²	57	39%	0.392	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	21.6	-175.5	0	0	0	0	0	114.2	N30 V34 K37	N30-G32 VanDerWaalsContact C-N 3.35Å; G32-V34 PolarHBondContact O-N 2.94Å; G32-K37 WeakPolarHBondContact O-CE 3.5Å; G32-K37 PolarHBondContact O-NZ 2.62Å
33	Q	87.7	Confident	87.4	Confident	38 Å²	38	64.4 Å²	64.4	18%	0.178	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	40.7	179	-56.7	159.7	17.2	0	0	113.9	C31 C35 R36 K37 V51 T52 A53	C31-Q33 PolarHBondContact O-N 2.85Å; C31-Q33 VanDerWaalsContact O-N 3.08Å; C31-Q33 PolarHBondContact SG-N 3.05Å; C31-Q33 VanDerWaalsContact SG-N 3.42Å; Q33-C35 PolarHBondContact O-N 3.39Å; Q33-C35 VanDerWaalsContact O-N 3.11Å; Q33-R36 PolarHBondContact O-N 3.32Å; Q33-R36 VanDerWaalsContact O-N 3.13Å; Q33-K37 PolarHBondContact O-N 2.83Å; Q33-V51 HydrophobicContact CB-CG1 4Å; Q33-V51 HydrophobicContact CG-CG1 3.97Å; Q33-V51 HydrophobicContact CG-CG2 4.28Å; Q33-T52 VanDerWaalsContact NE2-C 3.31Å; Q33-A53 VanDerWaalsContact NE2-CA 3.35Å
34	V	91	Very high	87.9	Confident	46 Å²	46	69.3 Å²	69.3	28%	0.279	34%	0.339	S	S	.	.	H	α-helix	trans	-52.9	-35.3	-179.9	-175.1	0	0	0	0	112.6	C31 G32 R36 K37 S38 K74	C31-V34 WeakPolarHBondContact O-CG2 3.31Å; C31-V34 PolarHBondContact O-N 2.81Å; G32-V34 PolarHBondContact O-N 2.94Å; V34-R36 PolarHBondContact O-N 3.43Å; V34-K37 PolarHBondContact O-N 3.44Å; V34-S38 WeakPolarHBondContact CG1-OG 3.39Å; V34-S38 VanDerWaalsContact O-CB 3.23Å; V34-S38 WeakPolarHBondContact O-CB 3.26Å; V34-S38 PolarHBondContact O-N 3.06Å; V34-S38 PolarHBondContact O-OG 2.74Å; V34-K74 HydrophobicContact CG1-CB 3.87Å
35	C	91.4	Very high	88.4	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-57.9	-48.4	179.5	54.5	0	0	0	0	112.3	Q33 C39 I49 C71 I80	Q33-C35 PolarHBondContact O-N 3.39Å; Q33-C35 VanDerWaalsContact O-N 3.11Å; C35-C39 WeakPolarHBondContact O-CB 3.24Å; C35-C39 PolarHBondContact O-N 2.81Å; C35-I49 HydrophobicContact CB-CD1 4.22Å; C35-C71 HydrophobicContact CB-CB 4.23Å; C35-I80 HydrophobicContact CB-CD1 3.51Å
36	R	91.4	Very high	88.9	Confident	109 Å²	109	69.3 Å²	69.3	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-66.7	-45.8	177.9	-178.1	-179.9	169.3	-169.8	-4.2	111.6	Q33 V34 S38 C39 V42 I49 V51	Q33-R36 PolarHBondContact O-N 3.32Å; Q33-R36 VanDerWaalsContact O-N 3.13Å; V34-R36 PolarHBondContact O-N 3.43Å; R36-S38 VanDerWaalsContact C-N 3.32Å; R36-S38 PolarHBondContact O-N 3Å; R36-C39 PolarHBondContact O-N 2.88Å; R36-V42 HydrophobicContact CG-CG1 4.05Å; R36-I49 HydrophobicContact CB-CG2 4.37Å; R36-V51 HydrophobicContact CB-CG1 3.7Å; R36-V51 HydrophobicContact CG-CG1 4.42Å; R36-V51 PolarHBondContact NH1-O 3.05Å
37	K	90.6	Very high	89.1	Confident	136 Å²	136	74.9 Å²	74.9	59%	0.591	38%	0.378	S	S	*	.	H	α-helix	trans	-65.2	-32	-179	-67.5	177.4	178.2	168.7	0	113.6	G32 Q33 V34 R43	G32-K37 WeakPolarHBondContact O-CE 3.5Å; G32-K37 PolarHBondContact O-NZ 2.62Å; Q33-K37 PolarHBondContact O-N 2.83Å; V34-K37 PolarHBondContact O-N 3.44Å; K37-R43 PolarHBondContact O-NE 3.03Å; K37-R43 PolarHBondContact O-NH2 3.42Å
38	S	91.5	Very high	89.4	Confident	23 Å²	23	69.7 Å²	69.7	16%	0.161	36%	0.356	C	S	.	.	H	α-helix	trans	-91.9	-12.5	-176.9	-52.2	0	0	0	0	113.5	V34 R36 P40	V34-S38 WeakPolarHBondContact CG1-OG 3.39Å; V34-S38 VanDerWaalsContact O-CB 3.23Å; V34-S38 WeakPolarHBondContact O-CB 3.26Å; V34-S38 PolarHBondContact O-N 3.06Å; V34-S38 PolarHBondContact O-OG 2.74Å; R36-S38 VanDerWaalsContact C-N 3.32Å; R36-S38 PolarHBondContact O-N 3Å; S38-P40 WeakPolarHBondContact O-CD 3.34Å
39	C	91.8	Very high	89.6	Confident	6 Å²	6	69.7 Å²	69.7	4%	0.041	36%	0.356	C	S	.	.			trans	-72.1	121.9	-176.6	-177.2	0	0	0	0	111	C35 R36 V41 V42 R43 I49	C35-C39 WeakPolarHBondContact O-CB 3.24Å; C35-C39 PolarHBondContact O-N 2.81Å; R36-C39 PolarHBondContact O-N 2.88Å; C39-V41 VanDerWaalsContact C-N 3.29Å; C39-V41 PolarHBondContact O-N 3.43Å; C39-V42 HydrophobicContact CB-CB 4.05Å; C39-V42 HydrophobicContact CB-CG2 3.85Å; C39-V42 PolarHBondContact O-N 2.96Å; C39-R43 WeakPolarHBondContact O-CG 3.2Å; C39-R43 PolarHBondContact O-N 3.4Å; C39-R43 VanDerWaalsContact O-N 3.08Å; C39-I49 HydrophobicContact CB-CD1 3.88Å; C39-I49 HydrophobicContact CB-CG1 4.35Å
40	P	92.9	Very high	89.9	Confident	36 Å²	36	66.5 Å²	66.5	23%	0.234	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-35.3	179.9	25.6	-33.9	0	0	0	111.8	S38 V42 R43 M44 I66 I70	S38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-V42 VanDerWaalsContact C-N 3.33Å; P40-V42 PolarHBondContact O-N 2.86Å; P40-R43 WeakPolarHBondContact O-CB 3.35Å; P40-R43 PolarHBondContact O-N 2.82Å; P40-R43 VanDerWaalsContact O-N 3.16Å; P40-M44 WeakPolarHBondContact O-CG 3.31Å; P40-M44 PolarHBondContact O-N 3.41Å; P40-I66 HydrophobicContact CG-CD1 3.9Å; P40-I70 HydrophobicContact CG-CD1 4.16Å
41	V	92.2	Very high	90	Very high	8 Å²	8	61.3 Å²	61.3	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-37	-179.6	-176	0	0	0	0	111.6	C39 M44 G45 K46 C48 I66	C39-V41 VanDerWaalsContact C-N 3.29Å; C39-V41 PolarHBondContact O-N 3.43Å; V41-M44 PolarHBondContact O-N 3.35Å; V41-G45 PolarHBondContact O-N 3.03Å; V41-K46 CarbonylContact C-O 3.53Å; V41-K46 HydrophobicContact CG1-CB 3.71Å; V41-K46 HydrophobicContact CG1-CD 4.41Å; V41-K46 PolarHBondContact O-N 2.91Å; V41-K46 VanDerWaalsContact O-N 3.12Å; V41-C48 HydrophobicContact CB-CB 3.66Å; V41-C48 HydrophobicContact CG1-CB 3.53Å; V41-I66 HydrophobicContact CG2-CB 4.3Å; V41-I66 HydrophobicContact CG2-CD1 4.05Å; V41-I66 HydrophobicContact CG2-CG1 3.8Å; V41-I66 HydrophobicContact CG2-CG2 3.74Å
42	V	92.6	Very high	90	Very high	33 Å²	33	63.4 Å²	63.4	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-69.3	-38	173.4	178.3	0	0	0	0	111	R36 C39 P40 M44 G45 K46 C48 I49	R36-V42 HydrophobicContact CG-CG1 4.05Å; C39-V42 HydrophobicContact CB-CB 4.05Å; C39-V42 HydrophobicContact CB-CG2 3.85Å; C39-V42 PolarHBondContact O-N 2.96Å; P40-V42 VanDerWaalsContact C-N 3.33Å; P40-V42 PolarHBondContact O-N 2.86Å; V42-M44 PolarHBondContact O-N 3.39Å; V42-G45 PolarHBondContact O-N 3.18Å; V42-K46 VanDerWaalsContact CA-O 3.27Å; V42-K46 WeakPolarHBondContact CA-O 3.09Å; V42-C48 HydrophobicContact CG2-CB 4.13Å; V42-I49 HydrophobicContact CG2-CB 4.26Å
43	R	90.8	Very high	89.8	Confident	190 Å²	190	64.2 Å²	64.2	72%	0.717	33%	0.331	S	S	*	.	H	α-helix	trans	-64	-28.9	173.3	-69.3	-179.8	-179.1	-168.1	-2.7	113	K37 C39 P40 G45	K37-R43 PolarHBondContact O-NE 3.03Å; K37-R43 PolarHBondContact O-NH2 3.42Å; C39-R43 WeakPolarHBondContact O-CG 3.2Å; C39-R43 PolarHBondContact O-N 3.4Å; C39-R43 VanDerWaalsContact O-N 3.08Å; P40-R43 WeakPolarHBondContact O-CB 3.35Å; P40-R43 PolarHBondContact O-N 2.82Å; P40-R43 VanDerWaalsContact O-N 3.16Å; R43-G45 PolarHBondContact O-N 3.31Å
44	M	90	Very high	89.6	Confident	158 Å²	158	68.2 Å²	68.2	78%	0.778	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	4.1	172.1	-65.2	177	76.4	0	0	113.6	P40 V41 V42	P40-M44 WeakPolarHBondContact O-CG 3.31Å; P40-M44 PolarHBondContact O-N 3.41Å; V41-M44 PolarHBondContact O-N 3.35Å; V42-M44 PolarHBondContact O-N 3.39Å
45	G	88.1	Confident	89.1	Confident	68 Å²	68	67.6 Å²	67.6	70%	0.701	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	-1.2	176	0	0	0	0	0	116	V41 V42 R43	V41-G45 PolarHBondContact O-N 3.03Å; V42-G45 PolarHBondContact O-N 3.18Å; R43-G45 PolarHBondContact O-N 3.31Å
46	K	90.2	Very high	88.6	Confident	130 Å²	130	76.1 Å²	76.1	57%	0.565	39%	0.392	S	S	*	.			trans	-91.8	137.2	176.8	-66.5	-177.7	-176.8	-177.7	0	111.1	V41 V42 C48 L64	V41-K46 CarbonylContact C-O 3.53Å; V41-K46 HydrophobicContact CG1-CB 3.71Å; V41-K46 HydrophobicContact CG1-CD 4.41Å; V41-K46 PolarHBondContact O-N 2.91Å; V41-K46 VanDerWaalsContact O-N 3.12Å; V42-K46 VanDerWaalsContact CA-O 3.27Å; V42-K46 WeakPolarHBondContact CA-O 3.09Å; K46-C48 PolarHBondContact O-N 2.83Å; K46-L64 HydrophobicContact CD-CD2 4.41Å
47	Q	88.5	Confident	88.4	Confident	133 Å²	133	74.5 Å²	74.5	62%	0.621	39%	0.391	S	S	*	.			trans	-76.9	66.6	-178.8	-66.6	-176.9	-16.1	0	0	112.6	E50 L64	Q47-E50 HydrophobicContact CB-CG 4.35Å; Q47-L64 VanDerWaalsContact O-CD1 3.27Å; Q47-L64 WeakPolarHBondContact O-CD1 3.41Å
48	C	90.7	Very high	88.4	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.014	36%	0.363	C	S	.	.	S	Bend	trans	-73.4	-35.9	177.3	172.8	0	0	0	0	112.8	V41 V42 K46 I60 S61 L64 C65	V41-C48 HydrophobicContact CB-CB 3.66Å; V41-C48 HydrophobicContact CG1-CB 3.53Å; V42-C48 HydrophobicContact CG2-CB 4.13Å; K46-C48 PolarHBondContact O-N 2.83Å; C48-I60 CarbonylContact O-C 3.33Å; C48-I60 WeakPolarHBondContact O-CA 3.48Å; C48-S61 PolarHBondContact O-N 3.25Å; C48-L64 HydrophobicContact CB-CB 4.03Å; C48-C65 VanDerWaalsContact SG-CA 3.56Å
49	I	91.7	Very high	88.3	Confident	5 Å²	5	70 Å²	70	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116.1	177.6	-56.2	-175.2	0	0	0	108.6	C35 R36 C39 V42 V51 F59 I60 C71	C35-I49 HydrophobicContact CB-CD1 4.22Å; R36-I49 HydrophobicContact CB-CG2 4.37Å; C39-I49 HydrophobicContact CB-CD1 3.88Å; C39-I49 HydrophobicContact CB-CG1 4.35Å; V42-I49 HydrophobicContact CG2-CB 4.26Å; I49-V51 HydrophobicContact CG2-CG1 4.4Å; I49-F59 CarbonylContact C-O 3.59Å; I49-F59 VanDerWaalsContact CA-O 3.3Å; I49-F59 WeakPolarHBondContact CA-O 3.42Å; I49-I60 HydrophobicContact CD1-CG1 4.44Å; I49-I60 HydrophobicContact CG1-CG1 4.13Å; I49-I60 HydrophobicContact CG1-CG2 4.24Å; I49-I60 HydrophobicContact CG2-CG1 4.36Å; I49-C71 HydrophobicContact CD1-CB 4.02Å
50	E	90.4	Very high	88.3	Confident	93 Å²	93	69.9 Å²	69.9	44%	0.435	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.1	176	-67.2	173	-151.4	0	0	108.9	Q47 F59	Q47-E50 HydrophobicContact CB-CG 4.35Å; E50-F59 HydrophobicContact CB-CB 4.2Å; E50-F59 HydrophobicContact CB-CD1 4.14Å; E50-F59 HydrophobicContact CG-CD1 4.37Å; E50-F59 PolarHBondContact N-O 3.49Å; E50-F59 PolarHBondContact O-N 2.69Å
51	V	88	Confident	88.2	Confident	5 Å²	5	69 Å²	69	3%	0.03	36%	0.362	C	S	.	.			trans	-153.3	132.2	175.8	65.5	0	0	0	0	109.3	P28 Q33 R36 I49 A58	P28-V51 HydrophobicContact CB-CG2 3.66Å; P28-V51 HydrophobicContact CG-CG2 3.89Å; Q33-V51 HydrophobicContact CB-CG1 4Å; Q33-V51 HydrophobicContact CG-CG1 3.97Å; Q33-V51 HydrophobicContact CG-CG2 4.28Å; R36-V51 HydrophobicContact CB-CG1 3.7Å; R36-V51 HydrophobicContact CG-CG1 4.42Å; R36-V51 PolarHBondContact NH1-O 3.05Å; I49-V51 HydrophobicContact CG2-CG1 4.4Å; V51-A58 HydrophobicContact CB-CB 4.07Å; V51-A58 HydrophobicContact CG2-CB 4.04Å
52	T	84.7	Confident	87.8	Confident	66 Å²	66	70.9 Å²	70.9	41%	0.405	37%	0.37	S	S	.	.			trans	-114.3	166.4	169.3	66	0	0	0	0	109.7	Q33 T54 S55	Q33-T52 VanDerWaalsContact NE2-C 3.31Å; T52-T54 PolarHBondContact O-N 3.3Å; T52-T54 PolarHBondContact OG1-OG1 3.18Å; T52-S55 PolarHBondContact N-OG 3.45Å; T52-S55 WeakPolarHBondContact O-CB 3.48Å; T52-S55 PolarHBondContact O-N 3.14Å; T52-S55 VanDerWaalsContact O-N 3.12Å; T52-S55 PolarHBondContact O-OG 2.87Å; T52-S55 PolarHBondContact OG1-N 3.35Å; T52-S55 PolarHBondContact OG1-OG 2.97Å
53	A	80.6	Confident	87.5	Confident	55 Å²	55	75.3 Å²	75.3	46%	0.455	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.4	178.4	0	0	0	0	0	112.2	K29 Q33	K29-A53 VanDerWaalsContact CG-O 3.22Å; K29-A53 WeakPolarHBondContact CG-O 3.45Å; Q33-A53 VanDerWaalsContact NE2-CA 3.35Å
54	T	83.3	Confident	87.4	Confident	121 Å²	121	69.3 Å²	69.3	74%	0.742	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-16.8	175.7	52.8	0	0	0	0	113	T52 K56	T52-T54 PolarHBondContact O-N 3.3Å; T52-T54 PolarHBondContact OG1-OG1 3.18Å; T54-K56 PolarHBondContact O-N 3.4Å
55	S	79.4	Confident	87.3	Confident	34 Å²	34	62 Å²	62	24%	0.238	34%	0.344	C	S	.	.			trans	-64	133.7	178.4	-58.9	0	0	0	0	110.5	P28 T52	P28-S55 WeakPolarHBondContact CG-O 3.45Å; T52-S55 PolarHBondContact N-OG 3.45Å; T52-S55 WeakPolarHBondContact O-CB 3.48Å; T52-S55 PolarHBondContact O-N 3.14Å; T52-S55 VanDerWaalsContact O-N 3.12Å; T52-S55 PolarHBondContact O-OG 2.87Å; T52-S55 PolarHBondContact OG1-N 3.35Å; T52-S55 PolarHBondContact OG1-OG 2.97Å
56	K	82.4	Confident	87.3	Confident	188 Å²	188	63 Å²	63	82%	0.817	33%	0.332	S	S	*	.	S	Bend	trans	-68.8	-36.8	172.3	-67.2	-176.1	178.6	-179.2	0	111.4	P28 T54	P28-K56 WeakPolarHBondContact CD-O 3.41Å; T54-K56 PolarHBondContact O-N 3.4Å
57	I	86.4	Confident	87	Confident	75 Å²	75	57.6 Å²	57.6	39%	0.385	31%	0.314	S	S	.	.	S	Bend	trans	-136.5	148.6	-174.1	-57.1	173.1	0	0	0	108.8	V21 A23	V21-I57 HydrophobicContact CB-CG2 4.15Å; V21-I57 HydrophobicContact CG1-CG2 3.61Å; A23-I57 HydrophobicContact CB-CD1 3.54Å; A23-I57 HydrophobicContact CB-CG1 4.26Å
58	A	90.1	Very high	87	Confident	2 Å²	2	53.9 Å²	53.9	2%	0.017	30%	0.302	C	S	.	.			trans	-79.6	129.8	171.3	0	0	0	0	0	111	C26 V51	C26-A58 PolarHBondContact SG-N 3.37Å; V51-A58 HydrophobicContact CB-CB 4.07Å; V51-A58 HydrophobicContact CG2-CB 4.04Å
59	F	90.4	Very high	86.8	Confident	63 Å²	63	54.6 Å²	54.6	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.7	174.8	178.7	-95.2	0	0	0	110	I49 E50 F99	I49-F59 CarbonylContact C-O 3.59Å; I49-F59 VanDerWaalsContact CA-O 3.3Å; I49-F59 WeakPolarHBondContact CA-O 3.42Å; E50-F59 HydrophobicContact CB-CB 4.2Å; E50-F59 HydrophobicContact CB-CD1 4.14Å; E50-F59 HydrophobicContact CG-CD1 4.37Å; E50-F59 PolarHBondContact N-O 3.49Å; E50-F59 PolarHBondContact O-N 2.69Å; F59-F99 HydrophobicContact CD2-CB 4.12Å; F59-F99 HydrophobicContact CD2-CG 4.34Å; F59-F99 HydrophobicContact CE2-CB 3.7Å; F59-F99 AromaticContact CE2-CD1 3.59Å; F59-F99 HydrophobicContact CE2-CD1 3.59Å; F59-F99 AromaticContact CE2-CD2 3.86Å; F59-F99 HydrophobicContact CE2-CD2 3.86Å; F59-F99 HydrophobicContact CE2-CE1 4.1Å; F59-F99 HydrophobicContact CE2-CE2 4.32Å; F59-F99 AromaticContact CE2-CG 3.47Å; F59-F99 HydrophobicContact CE2-CG 3.47Å; F59-F99 VanDerWaalsContact CE2-CG 3.47Å; F59-F99 HydrophobicContact CE2-CZ 4.44Å; F59-F99 HydrophobicContact CZ-CD1 4.03Å; F59-F99 HydrophobicContact CZ-CE1 4.15Å; F59-F99 HydrophobicContact CZ-CG 4.32Å
60	I	91.5	Very high	86.9	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.8	-179.9	-53.1	177.3	0	0	0	108.1	A19 V21 C48 I49 E62 I80 N100	A19-I60 HydrophobicContact CB-CB 3.8Å; A19-I60 HydrophobicContact CB-CD1 4.39Å; A19-I60 HydrophobicContact CB-CG2 3.63Å; V21-I60 HydrophobicContact CG2-CD1 3.68Å; V21-I60 HydrophobicContact CG2-CG1 4.06Å; C48-I60 CarbonylContact O-C 3.33Å; C48-I60 WeakPolarHBondContact O-CA 3.48Å; I49-I60 HydrophobicContact CD1-CG1 4.44Å; I49-I60 HydrophobicContact CG1-CG1 4.13Å; I49-I60 HydrophobicContact CG1-CG2 4.24Å; I49-I60 HydrophobicContact CG2-CG1 4.36Å; I60-E62 PolarHBondContact O-N 2.86Å; I60-I80 HydrophobicContact CD1-CB 4.46Å; I60-I80 HydrophobicContact CD1-CD1 4.16Å; I60-I80 HydrophobicContact CD1-CG1 4.24Å; I60-I80 HydrophobicContact CD1-CG2 3.43Å; I60-I80 VanDerWaalsContact CD1-CG2 3.43Å; I60-N100 WeakPolarHBondContact CB-ND2 3.01Å; I60-N100 PolarHBondContact N-ND2 3.49Å; I60-N100 PolarHBondContact O-ND2 3.25Å; I60-N100 PolarHBondContact O-OD1 3.38Å
61	S	89.5	Confident	86.9	Confident	18 Å²	18	53.3 Å²	53.3	13%	0.126	31%	0.305	C	S	.	.			trans	-74.7	117.2	177	173.8	0	0	0	0	111.1	C48 T63 L64 C65	C48-S61 PolarHBondContact O-N 3.25Å; S61-T63 VanDerWaalsContact C-N 3.29Å; S61-T63 PolarHBondContact O-N 3.23Å; S61-T63 PolarHBondContact OG-OG1 3.05Å; S61-T63 VanDerWaalsContact OG-OG1 3.04Å; S61-L64 PolarHBondContact O-N 3.36Å; S61-L64 PolarHBondContact OG-N 3.35Å; S61-C65 VanDerWaalsContact O-CB 3.22Å; S61-C65 WeakPolarHBondContact O-CB 3.15Å; S61-C65 PolarHBondContact O-N 3.08Å
62	E	85.5	Confident	87	Confident	47 Å²	47	55.5 Å²	55.5	22%	0.22	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.2	177.9	-69.3	176.9	167.5	0	0	112.6	R17 A19 I60 R96	R17-E62 WeakPolarHBondContact O-CB 3.23Å; R17-E62 WeakPolarHBondContact O-CG 3.17Å; A19-E62 HydrophobicContact CB-CG 4.31Å; A19-E62 PolarHBondContact N-OE1 3.15Å; I60-E62 PolarHBondContact O-N 2.86Å; E62-R96 IonicContact OE1-CZ 3.88Å; E62-R96 IonicContact OE1-NH1 3.65Å; E62-R96 PolarHBondContact OE1-NH1 3.43Å; E62-R96 IonicContact OE1-NH2 2.72Å; E62-R96 PolarHBondContact OE1-NH2 3.46Å; E62-R96 IonicContact OE2-CZ 2.71Å; E62-R96 IonicContact OE2-NH1 3.34Å; E62-R96 PolarHBondContact OE2-NH1 2.93Å; E62-R96 IonicContact OE2-NH2 3.43Å
63	T	85.2	Confident	87.3	Confident	127 Å²	127	61.4 Å²	61.4	78%	0.779	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-35.6	-180	55.8	0	0	0	0	112.5	S61	S61-T63 VanDerWaalsContact C-N 3.29Å; S61-T63 PolarHBondContact O-N 3.23Å; S61-T63 PolarHBondContact OG-OG1 3.05Å; S61-T63 VanDerWaalsContact OG-OG1 3.04Å
64	L	89.4	Confident	87.8	Confident	63 Å²	63	64.8 Å²	64.8	33%	0.33	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-24.8	-179.4	-63.4	176.3	0	0	0	112.9	K46 Q47 C48 S61 I66	K46-L64 HydrophobicContact CD-CD2 4.41Å; Q47-L64 VanDerWaalsContact O-CD1 3.27Å; Q47-L64 WeakPolarHBondContact O-CD1 3.41Å; C48-L64 HydrophobicContact CB-CB 4.03Å; S61-L64 PolarHBondContact O-N 3.36Å; S61-L64 PolarHBondContact OG-N 3.35Å; L64-I66 PolarHBondContact O-N 2.93Å
65	C	87.8	Confident	88	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.034	32%	0.315	C	S	.	.			trans	-64.3	126	-179.6	-177	0	0	0	0	111.1	R17 C48 S61 G67	R17-C65 WeakPolarHBondContact CD-O 3.39Å; R17-C65 PolarHBondContact NH1-O 3.15Å; C48-C65 VanDerWaalsContact SG-CA 3.56Å; S61-C65 VanDerWaalsContact O-CB 3.22Å; S61-C65 WeakPolarHBondContact O-CB 3.15Å; S61-C65 PolarHBondContact O-N 3.08Å; C65-G67 VanDerWaalsContact C-N 3.33Å; C65-G67 PolarHBondContact SG-N 3.11Å; C65-G67 VanDerWaalsContact SG-N 3.39Å
66	I	87.1	Confident	88.3	Confident	88 Å²	88	62 Å²	62	45%	0.451	33%	0.327	S	S	.	.			trans	-82.5	-7.3	176.5	60.2	172.2	0	0	0	113.9	R17 P40 V41 L64 C68	R17-I66 VanDerWaalsContact NE-C 3.31Å; R17-I66 PolarHBondContact NE-O 3Å; R17-I66 PolarHBondContact NH2-O 3.17Å; R17-I66 VanDerWaalsContact NH2-O 3.12Å; P40-I66 HydrophobicContact CG-CD1 3.9Å; V41-I66 HydrophobicContact CG2-CB 4.3Å; V41-I66 HydrophobicContact CG2-CD1 4.05Å; V41-I66 HydrophobicContact CG2-CG1 3.8Å; V41-I66 HydrophobicContact CG2-CG2 3.74Å; L64-I66 PolarHBondContact O-N 2.93Å; I66-C68 HydrophobicContact CD1-CB 3.94Å; I66-C68 HydrophobicContact CG1-CB 3.95Å
67	G	85	Confident	88.3	Confident	18 Å²	18	56.6 Å²	56.6	19%	0.186	30%	0.302	C	S	.	.			trans	78.7	19.7	-178.6	0	0	0	0	0	114.9	C65 G69	C65-G67 VanDerWaalsContact C-N 3.33Å; C65-G67 PolarHBondContact SG-N 3.11Å; C65-G67 VanDerWaalsContact SG-N 3.39Å; G67-G69 PolarHBondContact O-N 2.73Å
68	C	88.4	Confident	88.2	Confident	54 Å²	54	54.8 Å²	54.8	37%	0.365	30%	0.301	S	S	.	.			trans	-67.3	-16.6	-176.4	63.5	0	0	0	0	115.3	I66 I70	I66-C68 HydrophobicContact CD1-CB 3.94Å; I66-C68 HydrophobicContact CG1-CB 3.95Å; C68-I70 HydrophobicContact CB-CD1 4.17Å; C68-I70 HydrophobicContact CB-CG1 4.15Å; C68-I70 PolarHBondContact O-N 2.76Å; C68-I70 VanDerWaalsContact O-N 3.1Å
69	G	87.2	Confident	88	Confident	17 Å²	17	54.8 Å²	54.8	18%	0.175	30%	0.302	C	S	.	.			trans	68	4	179.7	0	0	0	0	0	116	G67 C71 V72 K73	G67-G69 PolarHBondContact O-N 2.73Å; G69-C71 PolarHBondContact O-N 2.92Å; G69-V72 WeakPolarHBondContact O-CB 3.4Å; G69-V72 PolarHBondContact O-N 2.85Å; G69-K73 PolarHBondContact O-N 3.19Å
70	I	91.9	Very high	87.8	Confident	66 Å²	66	52 Å²	52	34%	0.338	29%	0.289	S	S	.	.	H	α-helix	trans	-63.8	-42.6	-177.3	-62.8	171.2	0	0	0	111.3	P40 C68 V72 K73 K74	P40-I70 HydrophobicContact CG-CD1 4.16Å; C68-I70 HydrophobicContact CB-CD1 4.17Å; C68-I70 HydrophobicContact CB-CG1 4.15Å; C68-I70 PolarHBondContact O-N 2.76Å; C68-I70 VanDerWaalsContact O-N 3.1Å; I70-V72 PolarHBondContact O-N 2.8Å; I70-K73 PolarHBondContact O-N 2.85Å; I70-K74 HydrophobicContact CG2-CG 4.23Å; I70-K74 WeakPolarHBondContact O-CB 3.41Å; I70-K74 WeakPolarHBondContact O-CG 3.4Å; I70-K74 PolarHBondContact O-N 3.05Å
71	C	91.5	Very high	87.5	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.034	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-26.6	178.1	59.3	0	0	0	0	112.9	C35 I49 G69 C75 I80 I82	C35-C71 HydrophobicContact CB-CB 4.23Å; I49-C71 HydrophobicContact CD1-CB 4.02Å; G69-C71 PolarHBondContact O-N 2.92Å; C71-C75 WeakPolarHBondContact O-CB 3.48Å; C71-C75 PolarHBondContact O-N 2.66Å; C71-I80 HydrophobicContact CB-CD1 4.33Å; C71-I82 WeakPolarHBondContact SG-CD1 3.35Å
72	V	89.9	Confident	87.4	Confident	52 Å²	52	54.9 Å²	54.9	32%	0.315	31%	0.307	S	S	.	.	H	α-helix	trans	-67.8	-53.4	174.2	179.4	0	0	0	0	109.1	G69 I70 K74 C75 I80 I82	G69-V72 WeakPolarHBondContact O-CB 3.4Å; G69-V72 PolarHBondContact O-N 2.85Å; I70-V72 PolarHBondContact O-N 2.8Å; V72-K74 VanDerWaalsContact C-N 3.31Å; V72-K74 PolarHBondContact O-N 2.9Å; V72-C75 PolarHBondContact O-N 2.74Å; V72-I80 WeakPolarHBondContact CG1-O 3.33Å; V72-I80 HydrophobicContact CG2-CG2 4.22Å; V72-I80 WeakPolarHBondContact CG2-O 3.05Å; V72-I82 HydrophobicContact CG2-CB 4.1Å; V72-I82 HydrophobicContact CG2-CD1 4.16Å; V72-I82 HydrophobicContact CG2-CG1 3.94Å
73	K	90.5	Very high	87.2	Confident	189 Å²	189	53.9 Å²	53.9	82%	0.822	30%	0.303	S	S	*	.	H	α-helix	trans	-64	-31.8	-179.3	-66	-176.4	180	-177.2	0	113.8	G69 I70	G69-K73 PolarHBondContact O-N 3.19Å; I70-K73 PolarHBondContact O-N 2.85Å
74	K	91.1	Very high	86.9	Confident	127 Å²	127	51.9 Å²	51.9	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-91.9	-7.6	-177.5	-66.9	-66.7	-175	-178	0	113.9	V34 I70 V72 P76	V34-K74 HydrophobicContact CG1-CB 3.87Å; I70-K74 HydrophobicContact CG2-CG 4.23Å; I70-K74 WeakPolarHBondContact O-CB 3.41Å; I70-K74 WeakPolarHBondContact O-CG 3.4Å; I70-K74 PolarHBondContact O-N 3.05Å; V72-K74 VanDerWaalsContact C-N 3.31Å; V72-K74 PolarHBondContact O-N 2.9Å; K74-P76 WeakPolarHBondContact O-CD 3.44Å
75	C	88.4	Confident	86.2	Confident	22 Å²	22	49 Å²	49	15%	0.149	27%	0.272	C	S	.	.			trans	-72	120.7	178.3	-173.1	0	0	0	0	109.7	C71 V72 Y77 G78 A79	C71-C75 WeakPolarHBondContact O-CB 3.48Å; C71-C75 PolarHBondContact O-N 2.66Å; V72-C75 PolarHBondContact O-N 2.74Å; C75-Y77 PolarHBondContact O-N 3.27Å; C75-G78 PolarHBondContact O-N 3.34Å; C75-A79 PolarHBondContact SG-N 3.41Å; C75-A79 VanDerWaalsContact SG-N 3.41Å
76	P	85.3	Confident	85.4	Confident	75 Å²	75	51.8 Å²	51.8	49%	0.487	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.9	-177.6	26.1	-33.9	0	0	0	113.3	C31 K74	C31-P76 HydrophobicContact CB-CG 3.7Å; K74-P76 WeakPolarHBondContact O-CD 3.44Å
77	Y	83.4	Confident	84.3	Confident	74 Å²	74	49.2 Å²	49.2	29%	0.29	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	4	-176.6	-56	-61.8	0	0	0	113.7	R25 K27 N30 C31 C75 A79	R25-Y77 WeakPolarHBondContact O-CB 3.4Å; K27-Y77 HydrophobicContact CB-CD2 4.46Å; K27-Y77 HydrophobicContact CB-CE2 4.05Å; N30-Y77 HydrophobicContact CB-CE2 4.36Å; N30-Y77 WeakPolarHBondContact CB-OH 3.41Å; C31-Y77 HydrophobicContact CB-CD2 4.35Å; C31-Y77 HydrophobicContact CB-CE2 3.94Å; C75-Y77 PolarHBondContact O-N 3.27Å; Y77-A79 PolarHBondContact O-N 3.1Å; Y77-A79 VanDerWaalsContact O-N 3.14Å
78	G	82.7	Confident	83.6	Confident	36 Å²	36	53.8 Å²	53.8	37%	0.371	30%	0.3	S	S	.	.			trans	55.3	33.8	-175.4	0	0	0	0	0	113.4	C75	C75-G78 PolarHBondContact O-N 3.34Å
79	A	85.6	Confident	83	Confident	3 Å²	3	51.6 Å²	51.6	3%	0.025	29%	0.285	C	S	.	.			trans	-83.4	-13	-171.8	0	0	0	0	0	114	V21 S22 R25 C26 C75 Y77	V21-A79 WeakPolarHBondContact CA-O 2.98Å; S22-A79 PolarHBondContact N-O 2.85Å; R25-A79 HydrophobicContact CB-CB 3.62Å; C26-A79 HydrophobicContact CB-CB 4.03Å; C75-A79 PolarHBondContact SG-N 3.41Å; C75-A79 VanDerWaalsContact SG-N 3.41Å; Y77-A79 PolarHBondContact O-N 3.1Å; Y77-A79 VanDerWaalsContact O-N 3.14Å
80	I	88.1	Confident	82.5	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.6	-173.4	-57.2	171.6	0	0	0	108.8	I20 V21 C35 I60 C71 V72 I82	I20-I80 WeakPolarHBondContact O-CA 3.3Å; V21-I80 HydrophobicContact CG2-CG1 4.39Å; C35-I80 HydrophobicContact CB-CD1 3.51Å; I60-I80 HydrophobicContact CD1-CB 4.46Å; I60-I80 HydrophobicContact CD1-CD1 4.16Å; I60-I80 HydrophobicContact CD1-CG1 4.24Å; I60-I80 HydrophobicContact CD1-CG2 3.43Å; I60-I80 VanDerWaalsContact CD1-CG2 3.43Å; C71-I80 HydrophobicContact CB-CD1 4.33Å; V72-I80 WeakPolarHBondContact CG1-O 3.33Å; V72-I80 HydrophobicContact CG2-CG2 4.22Å; V72-I80 WeakPolarHBondContact CG2-O 3.05Å; I80-I82 HydrophobicContact CG2-CG1 4.38Å
81	S	84.9	Confident	81.8	Confident	50 Å²	50	57.2 Å²	57.2	35%	0.35	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.1	171.9	-62.9	0	0	0	0	109.3	A19 I20	A19-S81 WeakPolarHBondContact CA-O 3.37Å; I20-S81 PolarHBondContact N-O 3.41Å; I20-S81 PolarHBondContact O-N 3Å
82	I	86.3	Confident	81.4	Confident	31 Å²	31	59.3 Å²	59.3	16%	0.159	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.1	172.8	-64.3	174	0	0	0	108	I18 C71 V72 I80	I18-I82 WeakPolarHBondContact O-CA 3.12Å; C71-I82 WeakPolarHBondContact SG-CD1 3.35Å; V72-I82 HydrophobicContact CG2-CB 4.1Å; V72-I82 HydrophobicContact CG2-CD1 4.16Å; V72-I82 HydrophobicContact CG2-CG1 3.94Å; I80-I82 HydrophobicContact CG2-CG1 4.38Å
83	I	82	Confident	81.3	Confident	25 Å²	25	57.2 Å²	57.2	13%	0.128	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.4	-176.2	-56.7	174.5	0	0	0	108.1	R17 I18 I20 L85 V302 A305 Y306	R17-I83 WeakPolarHBondContact CA-O 3.37Å; I18-I83 PolarHBondContact N-O 3.23Å; I18-I83 PolarHBondContact O-N 3.23Å; I20-I83 HydrophobicContact CD1-CD1 3.88Å; I83-L85 HydrophobicContact CG2-CD2 4.18Å; I83-L85 HydrophobicContact CG2-CG 4.43Å; I83-V302 HydrophobicContact CD1-CB 3.98Å; I83-V302 HydrophobicContact CD1-CG1 4.3Å; I83-V302 HydrophobicContact CD1-CG2 4.06Å; I83-A305 HydrophobicContact CD1-CB 3.52Å; I83-Y306 HydrophobicContact CD1-CD1 3.74Å; I83-Y306 HydrophobicContact CD1-CE1 3.87Å; I83-Y306 HydrophobicContact CG2-CD1 4.19Å; I83-Y306 HydrophobicContact CG2-CE1 3.69Å
84	N	78.7	Confident	81.3	Confident	85 Å²	85	48.3 Å²	48.3	46%	0.455	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.1	172.1	-61.7	-38.7	0	0	0	107.9
85	L	74.2	Confident	81.3	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	149.8	174.6	-70.8	-177.9	0	0	0	111.1	T16 I18 I83 S87 L89 Y306	T16-L85 PolarHBondContact N-O 2.97Å; T16-L85 PolarHBondContact O-N 3.23Å; T16-L85 PolarHBondContact OG1-O 3.17Å; I18-L85 HydrophobicContact CD1-CD1 3.21Å; I18-L85 HydrophobicContact CD1-CG 4.17Å; I18-L85 HydrophobicContact CG1-CD1 3.71Å; I18-L85 HydrophobicContact CG1-CG 4.31Å; I83-L85 HydrophobicContact CG2-CD2 4.18Å; I83-L85 HydrophobicContact CG2-CG 4.43Å; L85-S87 PolarHBondContact O-N 3.2Å; L85-L89 HydrophobicContact CD2-CD1 4.19Å; L85-Y306 HydrophobicContact CD2-CD1 4.29Å; L85-Y306 HydrophobicContact CD2-CD2 3.92Å; L85-Y306 HydrophobicContact CD2-CE1 3.96Å; L85-Y306 HydrophobicContact CD2-CE2 3.54Å; L85-Y306 HydrophobicContact CD2-CG 4.28Å
86	P	71.3	Confident	81.4	Confident	63 Å²	63	42.4 Å²	42.4	41%	0.409	24%	0.236	S	C	.	.			trans	-56	133.4	162.4	-20.5	30.2	0	0	0	110.7	N88 L89	P86-N88 PolarHBondContact O-N 3.4Å; P86-L89 HydrophobicContact CG-CD1 4.41Å; P86-L89 PolarHBondContact O-N 2.89Å
87	S	64.8	Low	81.4	Confident	35 Å²	35	44.4 Å²	44.4	25%	0.245	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-52.8	-29.1	-178.7	53.9	0	0	0	0	114.2	K14 L85 L89 D90	K14-S87 WeakPolarHBondContact O-CB 3.09Å; L85-S87 PolarHBondContact O-N 3.2Å; S87-L89 VanDerWaalsContact C-N 3.27Å; S87-L89 PolarHBondContact O-N 2.96Å; S87-D90 PolarHBondContact O-N 2.64Å
88	N	68.9	Low	81.5	Confident	113 Å²	113	41.6 Å²	41.6	60%	0.604	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-65.2	-28.2	-178.4	-65.7	-16	0	0	0	112.9	P86	P86-N88 PolarHBondContact O-N 3.4Å
89	L	76.8	Confident	81.5	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.042	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-76.3	-24.5	-176.2	-70.2	176.2	0	0	0	113.5	L85 P86 S87 K91 D92 H105 V308	L85-L89 HydrophobicContact CD2-CD1 4.19Å; P86-L89 HydrophobicContact CG-CD1 4.41Å; P86-L89 PolarHBondContact O-N 2.89Å; S87-L89 VanDerWaalsContact C-N 3.27Å; S87-L89 PolarHBondContact O-N 2.96Å; L89-K91 PolarHBondContact O-N 3.31Å; L89-D92 PolarHBondContact O-N 2.95Å; L89-H105 PolarHBondContact O-CE1 2.89Å; L89-H105 PolarHBondContact O-ND1 3.25Å; L89-V308 HydrophobicContact CD1-CG2 4.01Å; L89-V308 HydrophobicContact CD2-CG1 3.92Å; L89-V308 HydrophobicContact CD2-CG2 4.3Å
90	D	75.4	Confident	81.4	Confident	56 Å²	56	44.8 Å²	44.8	30%	0.299	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-67.8	-30	-179.6	-94.2	2.4	0	0	0	112.4	T16 S87 D92 T93 K103 H105	T16-D90 WeakPolarHBondContact CB-OD2 3.09Å; T16-D90 HydrophobicContact CG2-CB 4.03Å; T16-D90 WeakPolarHBondContact CG2-OD2 3.47Å; T16-D90 PolarHBondContact OG1-OD2 3.14Å; S87-D90 PolarHBondContact O-N 2.64Å; D90-D92 PolarHBondContact O-N 2.9Å; D90-T93 PolarHBondContact O-N 3.06Å; D90-T93 PolarHBondContact O-OG1 3.1Å; D90-K103 IonicContact OD1-NZ 2.8Å; D90-K103 PolarHBondContact OD1-NZ 2.83Å; D90-H105 IonicContact OD1-CE1 3.66Å
91	K	78.7	Confident	81.3	Confident	146 Å²	146	46 Å²	46	64%	0.635	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-61.9	-29.2	172.4	-66.9	-174.9	178	-178.2	0	112.1	L89 Y156	L89-K91 PolarHBondContact O-N 3.31Å; K91-Y156 PolarHBondContact O-OH 3.24Å
92	D	82.6	Confident	81.4	Confident	49 Å²	49	44.6 Å²	44.6	26%	0.262	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-96.9	20.5	-174.2	-63.8	-16.8	0	0	0	113.4	L89 D90 T94 H105 R106 Y156	L89-D92 PolarHBondContact O-N 2.95Å; D90-D92 PolarHBondContact O-N 2.9Å; D92-T94 PolarHBondContact O-N 3.28Å; D92-H105 WeakPolarHBondContact O-CA 3.43Å; D92-R106 HydrophobicContact CB-CG 3.79Å; D92-R106 PolarHBondContact O-N 3.38Å; D92-R106 IonicContact OD2-CZ 3.6Å; D92-R106 VanDerWaalsContact OD2-CZ 3.31Å; D92-R106 IonicContact OD2-NE 2.69Å; D92-R106 PolarHBondContact OD2-NE 3.19Å; D92-R106 IonicContact OD2-NH2 2.85Å; D92-R106 PolarHBondContact OD2-NH2 3.37Å; D92-Y156 WeakPolarHBondContact CA-OH 3.19Å
93	T	87.4	Confident	81.5	Confident	8 Å²	8	43.8 Å²	43.8	5%	0.049	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	117.5	-179.6	-55.8	0	0	0	0	111.2	D90 K103 L141 Y156	D90-T93 PolarHBondContact O-N 3.06Å; D90-T93 PolarHBondContact O-OG1 3.1Å; T93-K103 HydrophobicContact CG2-CD 4.21Å; T93-K103 HydrophobicContact CG2-CG 4Å; T93-K103 WeakPolarHBondContact OG1-CE 3.31Å; T93-K103 PolarHBondContact OG1-NZ 3.34Å; T93-K103 VanDerWaalsContact OG1-NZ 3.12Å; T93-L141 WeakPolarHBondContact O-CA 3.42Å; T93-Y156 PolarHBondContact N-OH 3.37Å; T93-Y156 PolarHBondContact O-OH 3.28Å
94	T	90.6	Very high	82	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-44.7	179.9	-54.7	0	0	0	0	112.8	D92 L104 R106 L107 I132 P139 N140 L141 F157	D92-T94 PolarHBondContact O-N 3.28Å; T94-L104 PolarHBondContact N-O 2.82Å; T94-R106 WeakPolarHBondContact OG1-CA 3.46Å; T94-R106 PolarHBondContact OG1-N 3.48Å; T94-L107 HydrophobicContact CG2-CD1 3.53Å; T94-L107 HydrophobicContact CG2-CD2 3.94Å; T94-L107 HydrophobicContact CG2-CG 3.52Å; T94-I132 HydrophobicContact CG2-CD1 4.39Å; T94-P139 HydrophobicContact CG2-CB 3.9Å; T94-P139 WeakPolarHBondContact O-CB 3.17Å; T94-N140 PolarHBondContact O-N 3.44Å; T94-L141 WeakPolarHBondContact O-CA 3.48Å; T94-L141 PolarHBondContact O-N 3.37Å; T94-F157 HydrophobicContact CG2-CZ 4.16Å
95	H	91.6	Very high	82.6	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.046	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.9	-177.7	-171.3	84.6	0	0	0	112.6	Y97 L104 I132 N140	H95-Y97 AromaticContact NE2-CD1 3.93Å; H95-Y97 AromaticContact NE2-CE1 3.96Å; H95-L104 HydrophobicContact CB-CB 4.46Å; H95-L104 PolarHBondContact N-O 3.41Å; H95-L104 PolarHBondContact O-N 2.98Å; H95-I132 HydrophobicContact CB-CD1 3.81Å; H95-N140 VanDerWaalsContact CA-OD1 3.29Å; H95-N140 WeakPolarHBondContact CA-OD1 3.45Å; H95-N140 PolarHBondContact ND1-OD1 3.44Å
96	R	89.2	Confident	83.4	Confident	15 Å²	15	41.4 Å²	41.4	6%	0.057	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	129	174.3	-173.9	177.2	-176.7	155.4	15.5	109.9	E62 G98 N100 N140 F144	E62-R96 IonicContact OE1-CZ 3.88Å; E62-R96 IonicContact OE1-NH1 3.65Å; E62-R96 PolarHBondContact OE1-NH1 3.43Å; E62-R96 IonicContact OE1-NH2 2.72Å; E62-R96 PolarHBondContact OE1-NH2 3.46Å; E62-R96 IonicContact OE2-CZ 2.71Å; E62-R96 IonicContact OE2-NH1 3.34Å; E62-R96 PolarHBondContact OE2-NH1 2.93Å; E62-R96 IonicContact OE2-NH2 3.43Å; R96-G98 WeakPolarHBondContact CG-O 3.25Å; R96-G98 PolarHBondContact NE-O 2.96Å; R96-N100 VanDerWaalsContact NH2-N 3.2Å; R96-N140 PolarHBondContact N-OD1 3.19Å; R96-N140 PolarHBondContact O-ND2 2.88Å; R96-F144 HydrophobicContact CB-CD1 4.48Å; R96-F144 HydrophobicContact CG-CD1 4.24Å
97	Y	86.8	Confident	84.4	Confident	117 Å²	117	38.8 Å²	38.8	46%	0.459	19%	0.189	S	C	.	.			trans	-72.6	-29.2	-178	-77.8	-80.6	0	0	0	113.9	H95 S101 F102 T128	H95-Y97 AromaticContact NE2-CD1 3.93Å; H95-Y97 AromaticContact NE2-CE1 3.96Å; Y97-S101 PolarHBondContact N-OG 3.44Å; Y97-F102 HydrophobicContact CD2-CB 4.46Å; Y97-F102 HydrophobicContact CD2-CD1 4.35Å; Y97-F102 HydrophobicContact CE2-CD1 4.29Å; Y97-T128 HydrophobicContact CE2-CG2 4.18Å; Y97-T128 PolarHBondContact OH-OG1 2.87Å; Y97-T128 VanDerWaalsContact OH-OG1 3.12Å
98	G	85.2	Confident	85.8	Confident	15 Å²	15	37.2 Å²	37.2	16%	0.155	18%	0.178	C	C	.	.	S	Bend	trans	177.1	-172.2	-179.5	0	0	0	0	0	112.2	R96 N100 S101	R96-G98 WeakPolarHBondContact CG-O 3.25Å; R96-G98 PolarHBondContact NE-O 2.96Å; G98-N100 PolarHBondContact O-N 2.78Å; G98-S101 PolarHBondContact N-OG 3.15Å; G98-S101 PolarHBondContact O-OG 2.85Å
99	F	83.1	Confident	86.8	Confident	99 Å²	99	33 Å²	33	43%	0.434	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	137.2	170.7	-75.5	-73.7	0	0	0	110.5	F59 S101 F144 K145	F59-F99 HydrophobicContact CD2-CB 4.12Å; F59-F99 HydrophobicContact CD2-CG 4.34Å; F59-F99 HydrophobicContact CE2-CB 3.7Å; F59-F99 AromaticContact CE2-CD1 3.59Å; F59-F99 HydrophobicContact CE2-CD1 3.59Å; F59-F99 AromaticContact CE2-CD2 3.86Å; F59-F99 HydrophobicContact CE2-CD2 3.86Å; F59-F99 HydrophobicContact CE2-CE1 4.1Å; F59-F99 HydrophobicContact CE2-CE2 4.32Å; F59-F99 AromaticContact CE2-CG 3.47Å; F59-F99 HydrophobicContact CE2-CG 3.47Å; F59-F99 VanDerWaalsContact CE2-CG 3.47Å; F59-F99 HydrophobicContact CE2-CZ 4.44Å; F59-F99 HydrophobicContact CZ-CD1 4.03Å; F59-F99 HydrophobicContact CZ-CE1 4.15Å; F59-F99 HydrophobicContact CZ-CG 4.32Å; F99-S101 PolarHBondContact O-N 2.9Å; F99-F144 HydrophobicContact CB-CZ 4.3Å; F99-F144 HydrophobicContact CD1-CE1 4.32Å; F99-F144 AromaticContact CD1-CZ 3.66Å; F99-F144 HydrophobicContact CD1-CZ 3.66Å; F99-F144 HydrophobicContact CD2-CE1 4.44Å; F99-F144 AromaticContact CD2-CE2 3.38Å; F99-F144 HydrophobicContact CD2-CE2 3.38Å; F99-F144 AromaticContact CD2-CZ 3.22Å; F99-F144 HydrophobicContact CD2-CZ 3.22Å; F99-F144 HydrophobicContact CE1-CE1 4.44Å; F99-F144 AromaticContact CE1-CZ 3.7Å; F99-F144 HydrophobicContact CE1-CZ 3.7Å; F99-F144 AromaticContact CE2-CE2 3.45Å; F99-F144 HydrophobicContact CE2-CE2 3.45Å; F99-F144 VanDerWaalsContact CE2-CE2 3.45Å; F99-F144 AromaticContact CE2-CZ 3.28Å; F99-F144 HydrophobicContact CE2-CZ 3.28Å; F99-F144 HydrophobicContact CG-CE1 4.31Å; F99-F144 HydrophobicContact CG-CE2 4.02Å; F99-F144 AromaticContact CG-CZ 3.41Å; F99-F144 HydrophobicContact CG-CZ 3.41Å; F99-F144 VanDerWaalsContact CG-CZ 3.41Å; F99-F144 HydrophobicContact CZ-CE2 4.11Å; F99-F144 AromaticContact CZ-CZ 3.51Å; F99-F144 HydrophobicContact CZ-CZ 3.51Å; F99-K145 VanDerWaalsContact CE2-CE 3.49Å
100	N	82.8	Confident	87.4	Confident	8 Å²	8	33 Å²	33	4%	0.043	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	22.9	176.7	-56.6	27.9	0	0	0	115.1	A19 I20 V21 I60 R96 G98	A19-N100 WeakPolarHBondContact O-CA 3.24Å; A19-N100 VanDerWaalsContact O-CB 3.27Å; A19-N100 WeakPolarHBondContact O-CB 3.48Å; A19-N100 VanDerWaalsContact O-CG 3.3Å; I20-N100 WeakPolarHBondContact CA-O 3.22Å; V21-N100 HydrophobicContact CB-CB 4.2Å; V21-N100 HydrophobicContact CG2-CB 4.1Å; V21-N100 WeakPolarHBondContact CG2-ND2 3.43Å; V21-N100 PolarHBondContact N-O 2.95Å; I60-N100 WeakPolarHBondContact CB-ND2 3.01Å; I60-N100 PolarHBondContact N-ND2 3.49Å; I60-N100 PolarHBondContact O-ND2 3.25Å; I60-N100 PolarHBondContact O-OD1 3.38Å; R96-N100 VanDerWaalsContact NH2-N 3.2Å; G98-N100 PolarHBondContact O-N 2.78Å
101	S	85.4	Confident	88.1	Confident	28 Å²	28	34.7 Å²	34.7	20%	0.196	16%	0.159	C	C	.	.	S	Bend	trans	-102.5	177.6	175.6	77.2	0	0	0	0	111.8	Y97 G98 F99 K103	Y97-S101 PolarHBondContact N-OG 3.44Å; G98-S101 PolarHBondContact N-OG 3.15Å; G98-S101 PolarHBondContact O-OG 2.85Å; F99-S101 PolarHBondContact O-N 2.9Å; S101-K103 PolarHBondContact O-N 3.4Å
102	F	87	Confident	88.7	Confident	22 Å²	22	30.8 Å²	30.8	10%	0.096	15%	0.149	C	C	.	.			trans	-50.4	135.9	170.7	-178	-101	0	0	0	113.2	Y97 L104 G123 I124 A305	Y97-F102 HydrophobicContact CD2-CB 4.46Å; Y97-F102 HydrophobicContact CD2-CD1 4.35Å; Y97-F102 HydrophobicContact CE2-CD1 4.29Å; F102-L104 HydrophobicContact CE1-CB 4Å; F102-L104 HydrophobicContact CE1-CD1 4.43Å; F102-L104 HydrophobicContact CZ-CD1 4.35Å; F102-G123 WeakPolarHBondContact CE2-O 3.36Å; F102-I124 WeakPolarHBondContact CZ-O 3.33Å; F102-A305 WeakPolarHBondContact CA-O 3.35Å
103	K	89.6	Confident	89	Confident	13 Å²	13	29.8 Å²	29.8	6%	0.057	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.5	177.5	-168.6	179.7	179.9	-176.1	0	110.5	I18 D90 T93 S101 H105 A305 Y306 G307	I18-K103 HydrophobicContact CD1-CB 4.32Å; I18-K103 HydrophobicContact CD1-CD 3.64Å; D90-K103 IonicContact OD1-NZ 2.8Å; D90-K103 PolarHBondContact OD1-NZ 2.83Å; T93-K103 HydrophobicContact CG2-CD 4.21Å; T93-K103 HydrophobicContact CG2-CG 4Å; T93-K103 WeakPolarHBondContact OG1-CE 3.31Å; T93-K103 PolarHBondContact OG1-NZ 3.34Å; T93-K103 VanDerWaalsContact OG1-NZ 3.12Å; S101-K103 PolarHBondContact O-N 3.4Å; K103-H105 WeakPolarHBondContact CD-NE2 3.11Å; K103-H105 WeakPolarHBondContact CE-CE1 3.09Å; K103-A305 PolarHBondContact N-O 3.24Å; K103-A305 VanDerWaalsContact N-O 3.13Å; K103-Y306 CarbonylContact O-C 3.6Å; K103-Y306 WeakPolarHBondContact O-CA 3.35Å; K103-G307 PolarHBondContact O-N 3.49Å
104	L	92.4	Very high	89.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.4	176.5	-173.8	65.2	0	0	0	110.3	T94 H95 F102 L107 T128 A129 I132 V309	T94-L104 PolarHBondContact N-O 2.82Å; H95-L104 HydrophobicContact CB-CB 4.46Å; H95-L104 PolarHBondContact N-O 3.41Å; H95-L104 PolarHBondContact O-N 2.98Å; F102-L104 HydrophobicContact CE1-CB 4Å; F102-L104 HydrophobicContact CE1-CD1 4.43Å; F102-L104 HydrophobicContact CZ-CD1 4.35Å; L104-L107 HydrophobicContact CD2-CD2 3.99Å; L104-T128 HydrophobicContact CD2-CG2 4.15Å; L104-A129 HydrophobicContact CD2-CB 4.24Å; L104-I132 HydrophobicContact CD2-CD1 4Å; L104-V309 HydrophobicContact CD1-CG2 4.5Å
105	H	90.9	Very high	89.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.2	176.5	-59.3	-96.1	0	0	0	110.1	L89 D90 D92 K103 G307 V308 V309	L89-H105 PolarHBondContact O-CE1 2.89Å; L89-H105 PolarHBondContact O-ND1 3.25Å; D90-H105 IonicContact OD1-CE1 3.66Å; D92-H105 WeakPolarHBondContact O-CA 3.43Å; K103-H105 WeakPolarHBondContact CD-NE2 3.11Å; K103-H105 WeakPolarHBondContact CE-CE1 3.09Å; H105-G307 PolarHBondContact N-O 3.21Å; H105-V308 HydrophobicContact CB-CB 4.44Å; H105-V308 HydrophobicContact CB-CG1 4.32Å; H105-V308 HydrophobicContact CB-CG2 4.09Å; H105-V308 WeakPolarHBondContact O-CA 3.48Å; H105-V309 PolarHBondContact O-N 2.93Å; H105-V309 VanDerWaalsContact O-N 3.12Å
106	R	90.7	Very high	89.5	Confident	63 Å²	63	32.4 Å²	32.4	24%	0.238	16%	0.161	C	C	.	.			trans	59.6	168.4	-174.3	-54.1	177.5	179.8	166.9	2.1	113.5	D92 T94 V309 E330	D92-R106 HydrophobicContact CB-CG 3.79Å; D92-R106 PolarHBondContact O-N 3.38Å; D92-R106 IonicContact OD2-CZ 3.6Å; D92-R106 VanDerWaalsContact OD2-CZ 3.31Å; D92-R106 IonicContact OD2-NE 2.69Å; D92-R106 PolarHBondContact OD2-NE 3.19Å; D92-R106 IonicContact OD2-NH2 2.85Å; D92-R106 PolarHBondContact OD2-NH2 3.37Å; T94-R106 WeakPolarHBondContact OG1-CA 3.46Å; T94-R106 PolarHBondContact OG1-N 3.48Å; R106-V309 HydrophobicContact CB-CB 4.23Å; R106-V309 WeakPolarHBondContact CD-O 3.01Å; R106-E330 IonicContact CZ-OE1 2.63Å; R106-E330 IonicContact NH1-OE1 3.84Å; R106-E330 PolarHBondContact NH1-OE1 3.21Å
107	L	93	Very high	89.7	Confident	9 Å²	9	31.7 Å²	31.7	5%	0.047	16%	0.159	C	C	.	.			trans	-131.4	151.1	173.4	-71.2	172.6	0	0	0	109.3	T94 L104 A129 I132 F157 L162 F166	T94-L107 HydrophobicContact CG2-CD1 3.53Å; T94-L107 HydrophobicContact CG2-CD2 3.94Å; T94-L107 HydrophobicContact CG2-CG 3.52Å; L104-L107 HydrophobicContact CD2-CD2 3.99Å; L107-A129 HydrophobicContact CD2-CB 4.1Å; L107-I132 HydrophobicContact CD1-CG2 3.66Å; L107-I132 HydrophobicContact CD2-CB 4.3Å; L107-I132 HydrophobicContact CD2-CD1 4.11Å; L107-I132 HydrophobicContact CD2-CG2 4.18Å; L107-F157 HydrophobicContact CD1-CZ 4.29Å; L107-L162 HydrophobicContact CB-CD1 3.83Å; L107-L162 HydrophobicContact CB-CD2 4.47Å; L107-F166 HydrophobicContact CD1-CE2 4.2Å; L107-F166 HydrophobicContact CD1-CZ 3.79Å
108	P	92.9	Very high	90.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.013	14%	0.137	C	C	.	.			trans	-68.9	143.3	173.7	30.8	-33	0	0	0	109.5	P110 L116 L118 A129 L133 V309	P108-P110 WeakPolarHBondContact O-CD 3.39Å; P108-L116 HydrophobicContact CB-CD2 3.84Å; P108-L118 HydrophobicContact CB-CD2 3.57Å; P108-L118 HydrophobicContact CG-CD1 4.07Å; P108-L118 HydrophobicContact CG-CD2 3.94Å; P108-A129 HydrophobicContact CG-CB 4.45Å; P108-L133 HydrophobicContact CG-CD1 3.6Å; P108-V309 HydrophobicContact CB-CG1 3.98Å
109	T	89.7	Confident	90.4	Very high	23 Å²	23	25.4 Å²	25.4	14%	0.141	13%	0.129	C	C	.	.			trans	-99.7	96.7	-175.7	55.5	0	0	0	0	110.5	L162	T109-L162 HydrophobicContact CG2-CD1 4.34Å; T109-L162 HydrophobicContact CG2-CD2 4.32Å; T109-L162 HydrophobicContact CG2-CG 3.98Å
110	P	90.3	Very high	90.7	Very high	10 Å²	10	20.7 Å²	20.7	7%	0.065	11%	0.109	C	C	.	.			trans	-71.4	140.6	-179.6	31.7	-36.5	0	0	0	111.2	P108 Y165 F278 I280	P108-P110 WeakPolarHBondContact O-CD 3.39Å; P110-Y165 HydrophobicContact CG-CD2 3.71Å; P110-Y165 HydrophobicContact CG-CE1 4.48Å; P110-Y165 HydrophobicContact CG-CE2 3.63Å; P110-Y165 HydrophobicContact CG-CG 4.17Å; P110-F278 HydrophobicContact CB-CB 4.48Å; P110-F278 HydrophobicContact CB-CD1 3.98Å; P110-F278 HydrophobicContact CG-CD1 4.35Å; P110-I280 HydrophobicContact CB-CD1 3.94Å; P110-I280 HydrophobicContact CB-CG1 4.14Å; P110-I280 HydrophobicContact CG-CD1 4.34Å
111	R	90.2	Very high	90.9	Very high	91 Å²	91	21.3 Å²	21.3	34%	0.343	11%	0.113	S	C	.	.			trans	-116.5	143.9	175.6	-69.1	-178.8	175.5	174.2	-3.3	110.3	E161	R111-E161 IonicContact CZ-OE1 3.74Å; R111-E161 IonicContact CZ-OE2 3.34Å; R111-E161 IonicContact NE-OE1 2.8Å; R111-E161 IonicContact NE-OE2 3.29Å; R111-E161 PolarHBondContact NE-OE2 2.99Å; R111-E161 VanDerWaalsContact NE-OE2 3.12Å; R111-E161 IonicContact NH2-OE1 3.63Å; R111-E161 PolarHBondContact NH2-OE1 3.41Å; R111-E161 IonicContact NH2-OE2 3Å
112	P	90.2	Very high	90.8	Very high	64 Å²	64	22.2 Å²	22.2	42%	0.416	12%	0.115	S	C	.	.	B	Isolated β-bridge	trans	-72.7	141.6	178.9	31.7	-33.8	0	0	0	110.5	E114 N277 F278	P112-E114 VanDerWaalsContact C-N 3.32Å; P112-E114 PolarHBondContact O-N 2.69Å; P112-N277 CarbonylContact C-O 3.59Å; P112-N277 VanDerWaalsContact CA-O 3.29Å; P112-N277 WeakPolarHBondContact CA-O 3.34Å; P112-F278 HydrophobicContact CB-CD1 4.37Å; P112-F278 HydrophobicContact CB-CE1 4.06Å; P112-F278 HydrophobicContact CB-CZ 4.17Å; P112-F278 HydrophobicContact CG-CE1 4.25Å; P112-F278 HydrophobicContact CG-CZ 4.44Å
113	G	89.1	Confident	90.6	Very high	27 Å²	27	23.3 Å²	23.3	28%	0.278	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	4.8	178.5	0	0	0	0	0	116.4	V273 N274 N277	G113-V273 WeakPolarHBondContact O-CG1 3.25Å; G113-N274 WeakPolarHBondContact CA-O 3.36Å; G113-N274 PolarHBondContact N-O 2.75Å; G113-N277 PolarHBondContact N-O 2.95Å
114	E	91.2	Very high	90.5	Very high	65 Å²	65	22.7 Å²	22.7	30%	0.304	13%	0.131	S	C	.	.	S	Bend	trans	-131.6	147.2	-180	-60.9	179.6	154.9	0	0	110.2	P112 F295	P112-E114 VanDerWaalsContact C-N 3.32Å; P112-E114 PolarHBondContact O-N 2.69Å; E114-F295 VanDerWaalsContact CD-CE2 3.44Å; E114-F295 WeakPolarHBondContact OE1-CE2 3.39Å; E114-F295 WeakPolarHBondContact OE2-CD2 3.24Å; E114-F295 WeakPolarHBondContact OE2-CE2 3.39Å
115	I	94	Very high	90.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.9	174	-60.7	177	0	0	0	109.7	I269 R270 V273 V281 L292 D294 F295	I115-I269 HydrophobicContact CD1-CG2 4.43Å; I115-R270 HydrophobicContact CD1-CB 4.32Å; I115-R270 HydrophobicContact CD1-CG 4.27Å; I115-V273 HydrophobicContact CD1-CG2 3.57Å; I115-V273 HydrophobicContact CG1-CG2 3.42Å; I115-V273 VanDerWaalsContact CG1-CG2 3.42Å; I115-V281 HydrophobicContact CG2-CB 4.28Å; I115-V281 HydrophobicContact CG2-CG2 3.7Å; I115-L292 WeakPolarHBondContact CD1-O 3.23Å; I115-D294 PolarHBondContact N-OD2 3.12Å; I115-D294 PolarHBondContact O-N 3.36Å; I115-F295 PolarHBondContact O-N 3.2Å
116	L	95	Very high	90.3	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.5	171.8	-173.9	62.5	0	0	0	110.9	P108 L118 S279 I280 V281 F295 P312	P108-L116 HydrophobicContact CB-CD2 3.84Å; L116-L118 HydrophobicContact CD2-CD2 4.45Å; L116-L118 HydrophobicContact CG-CD2 4.36Å; L116-S279 PolarHBondContact N-O 2.84Å; L116-I280 WeakPolarHBondContact O-CA 3.32Å; L116-V281 PolarHBondContact O-N 3.09Å; L116-F295 HydrophobicContact CD1-CB 4.01Å; L116-P312 HydrophobicContact CD1-CB 4.41Å
117	G	95	Very high	90.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.4	173.6	0	0	0	0	0	112.7	V281 S293 F295 I296 C297	G117-V281 CarbonylContact C-O 3.59Å; G117-V281 WeakPolarHBondContact CA-O 3.31Å; G117-S293 WeakPolarHBondContact CA-OG 3.47Å; G117-S293 PolarHBondContact N-OG 3.43Å; G117-F295 PolarHBondContact N-O 2.92Å; G117-I296 CarbonylContact O-C 3.27Å; G117-I296 VanDerWaalsContact O-CA 3.26Å; G117-I296 WeakPolarHBondContact O-CA 3.21Å; G117-C297 PolarHBondContact O-N 2.9Å
118	L	94.4	Very high	90	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.1	173.3	-57.2	-178.2	0	0	0	109.4	P108 L116 L130 I280 V281 V282 E283 C297 L299	P108-L118 HydrophobicContact CB-CD2 3.57Å; P108-L118 HydrophobicContact CG-CD1 4.07Å; P108-L118 HydrophobicContact CG-CD2 3.94Å; L116-L118 HydrophobicContact CD2-CD2 4.45Å; L116-L118 HydrophobicContact CG-CD2 4.36Å; L118-L130 HydrophobicContact CD1-CD2 4.38Å; L118-I280 HydrophobicContact CD1-CG2 3.79Å; L118-I280 HydrophobicContact CG-CG2 4.09Å; L118-V281 PolarHBondContact N-O 2.95Å; L118-V282 HydrophobicContact CB-CG2 3.99Å; L118-V282 HydrophobicContact CD1-CG2 3.91Å; L118-V282 HydrophobicContact CG-CG2 4.4Å; L118-E283 PolarHBondContact O-N 2.86Å; L118-C297 HydrophobicContact CD2-CB 3.74Å; L118-L299 HydrophobicContact CB-CD1 4.09Å; L118-L299 HydrophobicContact CD2-CD1 4.2Å
119	V	91.8	Very high	90	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.2	178.8	66.9	0	0	0	0	110.9	L286 L289 I296 C297 V298 L299 F322	V119-L286 HydrophobicContact CG2-CD2 3.93Å; V119-L289 HydrophobicContact CB-CD2 3.89Å; V119-L289 HydrophobicContact CG2-CD2 4.26Å; V119-I296 HydrophobicContact CG1-CG2 3.66Å; V119-C297 PolarHBondContact N-O 3.16Å; V119-C297 VanDerWaalsContact N-O 3.09Å; V119-V298 HydrophobicContact CG1-CB 4.33Å; V119-V298 HydrophobicContact CG1-CG1 4.47Å; V119-V298 HydrophobicContact CG1-CG2 3.86Å; V119-L299 PolarHBondContact O-N 2.82Å; V119-F322 HydrophobicContact CG1-CB 4.49Å; V119-F322 HydrophobicContact CG1-CD2 4.39Å; V119-F322 HydrophobicContact CG1-CG 4.39Å; V119-F322 HydrophobicContact CG2-CD1 4.23Å; V119-F322 HydrophobicContact CG2-CD2 4.3Å; V119-F322 HydrophobicContact CG2-CE1 4.26Å; V119-F322 HydrophobicContact CG2-CE2 4.33Å; V119-F322 HydrophobicContact CG2-CG 4.25Å; V119-F322 HydrophobicContact CG2-CZ 4.31Å
120	G	88.7	Confident	90.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.132	C	C	.	.			trans	165.9	171.9	170.2	0	0	0	0	0	112.3	K126 H284	G120-K126 PolarHBondContact O-NZ 3Å; G120-H284 PolarHBondContact O-CE1 2.94Å; G120-H284 VanDerWaalsContact O-CE1 3.31Å
121	T	86.7	Confident	90.2	Very high	21 Å²	21	26 Å²	26	13%	0.129	15%	0.151	C	C	.	.			trans	-61.4	164.8	179.5	55.4	0	0	0	0	112.5	I124 K126 E506	T121-I124 WeakPolarHBondContact O-CD1 3.41Å; T121-I124 WeakPolarHBondContact O-CG1 3.5Å; T121-I124 WeakPolarHBondContact OG1-CG2 3.46Å; T121-K126 WeakPolarHBondContact O-CE 3.47Å; T121-K126 PolarHBondContact O-NZ 3Å; T121-E506 HydrophobicContact CG2-CB 4.22Å; T121-E506 WeakPolarHBondContact CG2-OE2 2.95Å
122	N	84	Confident	90.3	Very high	47 Å²	47	21.6 Å²	21.6	25%	0.251	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	146.7	176.7	-71.3	-16.8	0	0	0	111.3	I124 K126 H284 P303 D504	N122-I124 PolarHBondContact O-N 3.44Å; N122-K126 PolarHBondContact OD1-NZ 2.98Å; N122-H284 PolarHBondContact OD1-CE1 3.12Å; N122-H284 PolarHBondContact OD1-NE2 2.77Å; N122-P303 WeakPolarHBondContact O-CB 3.39Å; N122-D504 PolarHBondContact N-OD2 3.26Å
123	G	82.6	Confident	90.4	Very high	46 Å²	46	18.6 Å²	18.6	47%	0.474	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	7.6	177.3	0	0	0	0	0	116.7	F102 G304	F102-G123 WeakPolarHBondContact CE2-O 3.36Å; G123-G304 PolarHBondContact O-N 3.34Å
124	I	88.6	Confident	90.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-92	8.3	176.8	67.7	-172.2	0	0	0	114.2	F102 T121 N122 K126 L299 G307	F102-I124 WeakPolarHBondContact CZ-O 3.33Å; T121-I124 WeakPolarHBondContact O-CD1 3.41Å; T121-I124 WeakPolarHBondContact O-CG1 3.5Å; T121-I124 WeakPolarHBondContact OG1-CG2 3.46Å; N122-I124 PolarHBondContact O-N 3.44Å; I124-K126 HydrophobicContact CD1-CD 4.39Å; I124-K126 HydrophobicContact CD1-CG 4.31Å; I124-K126 HydrophobicContact CG1-CD 4.49Å; I124-K126 HydrophobicContact CG1-CG 4.06Å; I124-L299 HydrophobicContact CD1-CB 3.31Å; I124-L299 VanDerWaalsContact CD1-O 3.32Å; I124-L299 WeakPolarHBondContact CD1-O 3.48Å; I124-L299 HydrophobicContact CG1-CB 3.93Å; I124-L299 HydrophobicContact CG1-CD2 4.38Å; I124-G307 WeakPolarHBondContact O-CA 3.19Å
125	G	88.4	Confident	90.2	Very high	9 Å²	9	16.5 Å²	16.5	9%	0.093	11%	0.109	C	C	.	.	S	Bend	trans	93.9	13	173.6	0	0	0	0	0	117.4	S127 T128 A129	G125-S127 PolarHBondContact O-N 3.2Å; G125-T128 CarbonylContact O-C 3.1Å; G125-T128 WeakPolarHBondContact O-CA 3.29Å; G125-T128 WeakPolarHBondContact O-CB 3.31Å; G125-T128 PolarHBondContact O-N 2.88Å; G125-A129 PolarHBondContact O-N 3.1Å
126	K	89	Confident	89.9	Confident	9 Å²	9	24 Å²	24	4%	0.039	14%	0.141	C	C	.	.	H	α-helix	trans	-51.2	-54.5	175.3	-64.6	174.4	-59.8	-175	0	112.8	G120 T121 N122 I124 T128 A129 L130 V282 H284 L299	G120-K126 PolarHBondContact O-NZ 3Å; T121-K126 WeakPolarHBondContact O-CE 3.47Å; T121-K126 PolarHBondContact O-NZ 3Å; N122-K126 PolarHBondContact OD1-NZ 2.98Å; I124-K126 HydrophobicContact CD1-CD 4.39Å; I124-K126 HydrophobicContact CD1-CG 4.31Å; I124-K126 HydrophobicContact CG1-CD 4.49Å; I124-K126 HydrophobicContact CG1-CG 4.06Å; K126-T128 VanDerWaalsContact C-N 3.26Å; K126-T128 PolarHBondContact O-N 3.43Å; K126-A129 WeakPolarHBondContact O-CB 3.29Å; K126-A129 PolarHBondContact O-N 2.67Å; K126-A129 VanDerWaalsContact O-N 3.14Å; K126-L130 PolarHBondContact O-N 2.97Å; K126-V282 HydrophobicContact CB-CG1 4.32Å; K126-V282 HydrophobicContact CB-CG2 4.48Å; K126-V282 HydrophobicContact CD-CG1 3.93Å; K126-H284 PolarHBondContact NZ-CE1 3.49Å; K126-H284 PolarHBondContact NZ-NE2 2.9Å; K126-L299 HydrophobicContact CG-CD1 4.3Å; K126-L299 HydrophobicContact CG-CD2 3.78Å; K126-L299 HydrophobicContact CG-CG 4.46Å
127	S	86.9	Confident	89.7	Confident	32 Å²	32	25.6 Å²	25.6	22%	0.224	15%	0.15	C	C	.	.	H	α-helix	trans	-68.7	-24.7	178.1	-44.7	0	0	0	0	112.7	G125 K131 D251	G125-S127 PolarHBondContact O-N 3.2Å; S127-K131 VanDerWaalsContact O-CG 3.31Å; S127-K131 WeakPolarHBondContact O-CG 3.39Å; S127-K131 PolarHBondContact O-N 2.82Å; S127-D251 PolarHBondContact OG-OD2 3.29Å
128	T	90.7	Very high	89.5	Confident	16 Å²	16	28.3 Å²	28.3	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-69.5	-41.9	171.5	-60.3	0	0	0	0	110.4	Y97 L104 G125 K126 L130 K131 I132 L137	Y97-T128 HydrophobicContact CE2-CG2 4.18Å; Y97-T128 PolarHBondContact OH-OG1 2.87Å; Y97-T128 VanDerWaalsContact OH-OG1 3.12Å; L104-T128 HydrophobicContact CD2-CG2 4.15Å; G125-T128 CarbonylContact O-C 3.1Å; G125-T128 WeakPolarHBondContact O-CA 3.29Å; G125-T128 WeakPolarHBondContact O-CB 3.31Å; G125-T128 PolarHBondContact O-N 2.88Å; K126-T128 VanDerWaalsContact C-N 3.26Å; K126-T128 PolarHBondContact O-N 3.43Å; T128-L130 PolarHBondContact O-N 2.72Å; T128-K131 PolarHBondContact O-N 3.09Å; T128-I132 HydrophobicContact CG2-CD1 4.07Å; T128-I132 WeakPolarHBondContact O-CG1 3.48Å; T128-I132 PolarHBondContact O-N 3.46Å; T128-L137 HydrophobicContact CG2-CD2 4.1Å
129	A	92.8	Very high	89.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-43	174	0	0	0	0	0	111.7	L104 L107 P108 G125 K126 K131 I132 L133	L104-A129 HydrophobicContact CD2-CB 4.24Å; L107-A129 HydrophobicContact CD2-CB 4.1Å; P108-A129 HydrophobicContact CG-CB 4.45Å; G125-A129 PolarHBondContact O-N 3.1Å; K126-A129 WeakPolarHBondContact O-CB 3.29Å; K126-A129 PolarHBondContact O-N 2.67Å; K126-A129 VanDerWaalsContact O-N 3.14Å; A129-K131 PolarHBondContact O-N 2.85Å; A129-I132 PolarHBondContact O-N 2.76Å; A129-L133 VanDerWaalsContact O-CG 3.31Å; A129-L133 WeakPolarHBondContact O-CG 3.49Å; A129-L133 PolarHBondContact O-N 3.31Å
130	L	92.7	Very high	89.4	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-41.8	174.7	-69.5	-178.8	0	0	0	112.9	L118 K126 T128 I132 L133 S134 M249 D251 I280 V282	L118-L130 HydrophobicContact CD1-CD2 4.38Å; K126-L130 PolarHBondContact O-N 2.97Å; T128-L130 PolarHBondContact O-N 2.72Å; L130-I132 VanDerWaalsContact C-N 3.27Å; L130-I132 PolarHBondContact O-N 3.49Å; L130-L133 PolarHBondContact O-N 3.14Å; L130-S134 WeakPolarHBondContact O-CB 3.43Å; L130-S134 PolarHBondContact O-N 3.4Å; L130-S134 PolarHBondContact O-OG 2.97Å; L130-M249 HydrophobicContact CB-SD 4.28Å; L130-M249 HydrophobicContact CD2-CB 4.34Å; L130-M249 HydrophobicContact CD2-CG 4.35Å; L130-M249 HydrophobicContact CD2-SD 3.91Å; L130-D251 HydrophobicContact CD1-CB 3.88Å; L130-I280 HydrophobicContact CD2-CB 4.29Å; L130-I280 HydrophobicContact CD2-CG2 3.72Å; L130-V282 HydrophobicContact CD1-CG2 3.63Å; L130-V282 HydrophobicContact CD2-CG2 4.36Å; L130-V282 HydrophobicContact CG-CG2 4.1Å
131	K	91.7	Very high	89.4	Confident	105 Å²	105	30.8 Å²	30.8	46%	0.457	18%	0.175	S	C	.	.	H	α-helix	trans	-62.2	-34.9	175.3	-74.9	175.4	-177.1	-178.7	0	112.4	S127 T128 A129 S134 K136 L137	S127-K131 VanDerWaalsContact O-CG 3.31Å; S127-K131 WeakPolarHBondContact O-CG 3.39Å; S127-K131 PolarHBondContact O-N 2.82Å; T128-K131 PolarHBondContact O-N 3.09Å; A129-K131 PolarHBondContact O-N 2.85Å; K131-S134 WeakPolarHBondContact CA-OG 3.23Å; K131-S134 PolarHBondContact O-OG 3.15Å; K131-S134 VanDerWaalsContact O-OG 3.07Å; K131-K136 PolarHBondContact O-N 2.8Å; K131-K136 VanDerWaalsContact O-N 3.14Å; K131-L137 HydrophobicContact CB-CB 3.93Å; K131-L137 HydrophobicContact CB-CD2 4.5Å; K131-L137 PolarHBondContact O-N 3.2Å
132	I	92.8	Very high	89.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-71.9	-47.5	176.8	-66.1	165.1	0	0	0	111.1	T94 H95 L104 L107 T128 A129 L130 S134 G135 L137 P139 F166	T94-I132 HydrophobicContact CG2-CD1 4.39Å; H95-I132 HydrophobicContact CB-CD1 3.81Å; L104-I132 HydrophobicContact CD2-CD1 4Å; L107-I132 HydrophobicContact CD1-CG2 3.66Å; L107-I132 HydrophobicContact CD2-CB 4.3Å; L107-I132 HydrophobicContact CD2-CD1 4.11Å; L107-I132 HydrophobicContact CD2-CG2 4.18Å; T128-I132 HydrophobicContact CG2-CD1 4.07Å; T128-I132 WeakPolarHBondContact O-CG1 3.48Å; T128-I132 PolarHBondContact O-N 3.46Å; A129-I132 PolarHBondContact O-N 2.76Å; L130-I132 VanDerWaalsContact C-N 3.27Å; L130-I132 PolarHBondContact O-N 3.49Å; I132-S134 VanDerWaalsContact C-N 3.27Å; I132-S134 PolarHBondContact O-N 2.85Å; I132-G135 PolarHBondContact O-N 3.25Å; I132-G135 VanDerWaalsContact O-N 3.12Å; I132-L137 WeakPolarHBondContact CA-O 3.22Å; I132-L137 HydrophobicContact CG1-CB 4.28Å; I132-L137 HydrophobicContact CG1-CD2 4.07Å; I132-L137 HydrophobicContact CG1-CG 4.25Å; I132-P139 HydrophobicContact CG2-CB 4.14Å; I132-P139 HydrophobicContact CG2-CG 4.18Å; I132-F166 HydrophobicContact CG2-CE1 4.48Å; I132-F166 HydrophobicContact CG2-CZ 4.2Å
133	L	92.2	Very high	89.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-31.1	179.9	-66.6	166.1	0	0	0	112.4	P108 A129 L130 G135 L162 Y165 M249 I280	P108-L133 HydrophobicContact CG-CD1 3.6Å; A129-L133 VanDerWaalsContact O-CG 3.31Å; A129-L133 WeakPolarHBondContact O-CG 3.49Å; A129-L133 PolarHBondContact O-N 3.31Å; L130-L133 PolarHBondContact O-N 3.14Å; L133-G135 PolarHBondContact O-N 2.8Å; L133-L162 HydrophobicContact CD2-CD2 4.32Å; L133-Y165 HydrophobicContact CB-CE1 4.31Å; L133-Y165 HydrophobicContact CD2-CD1 4.28Å; L133-Y165 HydrophobicContact CD2-CE1 3.83Å; L133-Y165 PolarHBondContact O-OH 3.21Å; L133-M249 HydrophobicContact CB-CE 3.68Å; L133-I280 HydrophobicContact CB-CD1 4.5Å; L133-I280 HydrophobicContact CD1-CD1 3.66Å
134	S	90.2	Very high	89.4	Confident	14 Å²	14	32.6 Å²	32.6	10%	0.098	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.6	176.5	56.1	0	0	0	0	114.2	L130 K131 I132 K136 I178	L130-S134 WeakPolarHBondContact O-CB 3.43Å; L130-S134 PolarHBondContact O-N 3.4Å; L130-S134 PolarHBondContact O-OG 2.97Å; K131-S134 WeakPolarHBondContact CA-OG 3.23Å; K131-S134 PolarHBondContact O-OG 3.15Å; K131-S134 VanDerWaalsContact O-OG 3.07Å; I132-S134 VanDerWaalsContact C-N 3.27Å; I132-S134 PolarHBondContact O-N 2.85Å; S134-K136 PolarHBondContact O-N 3.11Å; S134-I178 VanDerWaalsContact OG-CD1 3.3Å; S134-I178 WeakPolarHBondContact OG-CD1 3.22Å
135	G	86.5	Confident	89.1	Confident	35 Å²	35	39.5 Å²	39.5	36%	0.361	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-2.6	-176.1	0	0	0	0	0	114.8	I132 L133 L137	I132-G135 PolarHBondContact O-N 3.25Å; I132-G135 VanDerWaalsContact O-N 3.12Å; L133-G135 PolarHBondContact O-N 2.8Å; G135-L137 VanDerWaalsContact C-N 3.27Å; G135-L137 PolarHBondContact O-N 3.24Å
136	K	88.1	Confident	89	Confident	157 Å²	157	45 Å²	45	68%	0.683	23%	0.233	S	C	*	.	S	Bend	trans	-67.6	-26.9	177.3	-68.8	-173.7	179.3	-178.8	0	113	K131 S134 I178	K131-K136 PolarHBondContact O-N 2.8Å; K131-K136 VanDerWaalsContact O-N 3.14Å; S134-K136 PolarHBondContact O-N 3.11Å; K136-I178 HydrophobicContact CD-CD1 3.97Å
137	L	90.2	Very high	88.8	Confident	42 Å²	42	48 Å²	48	22%	0.22	25%	0.254	C	S	.	.	S	Bend	trans	-128.3	116.6	177.5	-177.8	65.7	0	0	0	110.1	T128 K131 I132 G135	T128-L137 HydrophobicContact CG2-CD2 4.1Å; K131-L137 HydrophobicContact CB-CB 3.93Å; K131-L137 HydrophobicContact CB-CD2 4.5Å; K131-L137 PolarHBondContact O-N 3.2Å; I132-L137 WeakPolarHBondContact CA-O 3.22Å; I132-L137 HydrophobicContact CG1-CB 4.28Å; I132-L137 HydrophobicContact CG1-CD2 4.07Å; I132-L137 HydrophobicContact CG1-CG 4.25Å; G135-L137 VanDerWaalsContact C-N 3.27Å; G135-L137 PolarHBondContact O-N 3.24Å
138	K	90.7	Very high	88.7	Confident	58 Å²	58	46.9 Å²	46.9	25%	0.252	25%	0.246	S	C	.	.			trans	-70	130	174	-165.9	-176.5	-168.5	-173.3	0	109.9	P148 E149 W150 I153	K138-P148 WeakPolarHBondContact CE-O 3.17Å; K138-P148 PolarHBondContact NZ-O 3.08Å; K138-E149 VanDerWaalsContact NZ-CD 3.25Å; K138-E149 IonicContact NZ-OE1 3.42Å; K138-E149 PolarHBondContact NZ-OE1 3.2Å; K138-E149 IonicContact NZ-OE2 3.03Å; K138-E149 PolarHBondContact NZ-OE2 3.07Å; K138-W150 HydrophobicContact CG-CZ2 4.15Å; K138-I153 HydrophobicContact CD-CD1 4.21Å; K138-I153 HydrophobicContact CG-CD1 3.68Å
139	P	92.2	Very high	88.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.			trans	-68.3	138.2	174.5	28.5	-31.6	0	0	0	109.4	T94 I132 I153	T94-P139 HydrophobicContact CG2-CB 3.9Å; T94-P139 WeakPolarHBondContact O-CB 3.17Å; I132-P139 HydrophobicContact CG2-CB 4.14Å; I132-P139 HydrophobicContact CG2-CG 4.18Å; P139-I153 HydrophobicContact CG-CD1 3.91Å; P139-I153 HydrophobicContact CG-CG1 4.28Å; P139-I153 HydrophobicContact CG-CG2 3.77Å; P139-I153 WeakPolarHBondContact O-CD1 3.29Å
140	N	92.1	Very high	88.4	Confident	11 Å²	11	54.2 Å²	54.2	6%	0.059	28%	0.276	C	S	.	.			trans	-106.8	3.6	-176.5	68	1.4	0	0	0	113.9	T94 H95 R96 G142 N143 F144 P147 P148	T94-N140 PolarHBondContact O-N 3.44Å; H95-N140 VanDerWaalsContact CA-OD1 3.29Å; H95-N140 WeakPolarHBondContact CA-OD1 3.45Å; H95-N140 PolarHBondContact ND1-OD1 3.44Å; R96-N140 PolarHBondContact N-OD1 3.19Å; R96-N140 PolarHBondContact O-ND2 2.88Å; N140-G142 PolarHBondContact O-N 3.43Å; N140-G142 PolarHBondContact OD1-N 3.09Å; N140-N143 PolarHBondContact O-N 2.94Å; N140-F144 WeakPolarHBondContact ND2-CA 3.26Å; N140-P147 HydrophobicContact CB-CB 4.29Å; N140-P148 VanDerWaalsContact O-CD 3.32Å; N140-P148 WeakPolarHBondContact O-CD 3.49Å
141	L	89.5	Confident	88.2	Confident	40 Å²	40	61.4 Å²	61.4	21%	0.209	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	24.3	178.1	-51	-178.6	0	0	0	114	T93 T94 P148 I153 Y156 F157	T93-L141 WeakPolarHBondContact O-CA 3.42Å; T94-L141 WeakPolarHBondContact O-CA 3.48Å; T94-L141 PolarHBondContact O-N 3.37Å; L141-P148 HydrophobicContact CB-CG 4.35Å; L141-P148 HydrophobicContact CD1-CG 4.08Å; L141-P148 HydrophobicContact CG-CG 4Å; L141-I153 HydrophobicContact CD1-CG1 4.38Å; L141-Y156 HydrophobicContact CD1-CD1 4.2Å; L141-Y156 HydrophobicContact CD1-CD2 4.01Å; L141-Y156 HydrophobicContact CD1-CG 3.69Å; L141-Y156 HydrophobicContact CD2-CD1 3.57Å; L141-Y156 HydrophobicContact CD2-CD2 4.47Å; L141-Y156 HydrophobicContact CD2-CE1 3.76Å; L141-Y156 HydrophobicContact CD2-CG 3.94Å; L141-Y156 HydrophobicContact CG-CG 4.43Å; L141-F157 HydrophobicContact CD2-CE2 4.34Å
142	G	84.1	Confident	88.1	Confident	22 Å²	22	62 Å²	62	23%	0.227	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-11.7	-175.8	0	0	0	0	0	115.2	N140 F144	N140-G142 PolarHBondContact O-N 3.43Å; N140-G142 PolarHBondContact OD1-N 3.09Å; G142-F144 WeakPolarHBondContact O-CD1 3.29Å; G142-F144 PolarHBondContact O-N 3.27Å
143	N	86	Confident	87.9	Confident	80 Å²	80	62 Å²	62	43%	0.428	31%	0.314	S	S	.	.			trans	-92.5	84.4	175.4	-168.3	-1	0	0	0	111.2	N140 K145 N146 P147	N140-N143 PolarHBondContact O-N 2.94Å; N143-K145 PolarHBondContact OD1-N 3.03Å; N143-N146 PolarHBondContact ND2-O 2.79Å; N143-N146 CarbonylContact O-C 3.35Å; N143-N146 PolarHBondContact OD1-N 3.42Å; N143-P147 WeakPolarHBondContact O-CA 3.37Å
144	F	82.3	Confident	87.8	Confident	51 Å²	51	63.5 Å²	63.5	22%	0.224	32%	0.322	C	S	.	.			trans	-80.2	-14.5	178.2	54.2	-91	0	0	0	113.9	R96 F99 N140 G142	R96-F144 HydrophobicContact CB-CD1 4.48Å; R96-F144 HydrophobicContact CG-CD1 4.24Å; F99-F144 HydrophobicContact CB-CZ 4.3Å; F99-F144 HydrophobicContact CD1-CE1 4.32Å; F99-F144 AromaticContact CD1-CZ 3.66Å; F99-F144 HydrophobicContact CD1-CZ 3.66Å; F99-F144 HydrophobicContact CD2-CE1 4.44Å; F99-F144 AromaticContact CD2-CE2 3.38Å; F99-F144 HydrophobicContact CD2-CE2 3.38Å; F99-F144 AromaticContact CD2-CZ 3.22Å; F99-F144 HydrophobicContact CD2-CZ 3.22Å; F99-F144 HydrophobicContact CE1-CE1 4.44Å; F99-F144 AromaticContact CE1-CZ 3.7Å; F99-F144 HydrophobicContact CE1-CZ 3.7Å; F99-F144 AromaticContact CE2-CE2 3.45Å; F99-F144 HydrophobicContact CE2-CE2 3.45Å; F99-F144 VanDerWaalsContact CE2-CE2 3.45Å; F99-F144 AromaticContact CE2-CZ 3.28Å; F99-F144 HydrophobicContact CE2-CZ 3.28Å; F99-F144 HydrophobicContact CG-CE1 4.31Å; F99-F144 HydrophobicContact CG-CE2 4.02Å; F99-F144 AromaticContact CG-CZ 3.41Å; F99-F144 HydrophobicContact CG-CZ 3.41Å; F99-F144 VanDerWaalsContact CG-CZ 3.41Å; F99-F144 HydrophobicContact CZ-CE2 4.11Å; F99-F144 AromaticContact CZ-CZ 3.51Å; F99-F144 HydrophobicContact CZ-CZ 3.51Å; N140-F144 WeakPolarHBondContact ND2-CA 3.26Å; G142-F144 WeakPolarHBondContact O-CD1 3.29Å; G142-F144 PolarHBondContact O-N 3.27Å
145	K	82.5	Confident	87.8	Confident	145 Å²	145	65.9 Å²	65.9	63%	0.63	34%	0.343	S	S	*	.	S	Bend	trans	-75.2	-49.9	176.3	-71.2	-170.8	-179.6	-176	0	110.9	F99 N143	F99-K145 VanDerWaalsContact CE2-CE 3.49Å; N143-K145 PolarHBondContact OD1-N 3.03Å
146	N	85.9	Confident	87.9	Confident	123 Å²	123	68.3 Å²	68.3	66%	0.658	34%	0.341	S	S	*	.	S	Bend	trans	-124.8	87.5	177.5	-64.1	-13.1	0	0	0	108.1	N143	N143-N146 PolarHBondContact ND2-O 2.79Å; N143-N146 CarbonylContact O-C 3.35Å; N143-N146 PolarHBondContact OD1-N 3.42Å
147	P	84	Confident	87.9	Confident	74 Å²	74	61.8 Å²	61.8	48%	0.481	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-59	132.2	-179.9	-24.1	34.4	0	0	0	111.4	N140 N143	N140-P147 HydrophobicContact CB-CB 4.29Å; N143-P147 WeakPolarHBondContact O-CA 3.37Å
148	P	86.2	Confident	87.8	Confident	8 Å²	8	69.6 Å²	69.6	5%	0.052	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-61.2	154.9	179.7	24.8	-35.9	0	0	0	112.7	K138 N140 L141 E152 I153	K138-P148 WeakPolarHBondContact CE-O 3.17Å; K138-P148 PolarHBondContact NZ-O 3.08Å; N140-P148 VanDerWaalsContact O-CD 3.32Å; N140-P148 WeakPolarHBondContact O-CD 3.49Å; L141-P148 HydrophobicContact CB-CG 4.35Å; L141-P148 HydrophobicContact CD1-CG 4.08Å; L141-P148 HydrophobicContact CG-CG 4Å; P148-E152 HydrophobicContact CB-CB 3.9Å; P148-E152 WeakPolarHBondContact CB-OE2 3.34Å; P148-I153 HydrophobicContact CB-CG1 4.34Å; P148-I153 HydrophobicContact CG-CD1 4.45Å; P148-I153 HydrophobicContact CG-CG1 4.08Å
149	E	88.7	Confident	87.5	Confident	116 Å²	116	70.5 Å²	70.5	54%	0.542	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-77.6	161.2	170.3	-75.2	-52.1	137.3	0	0	113.2	K138 H151 E152 I153	K138-E149 VanDerWaalsContact NZ-CD 3.25Å; K138-E149 IonicContact NZ-OE1 3.42Å; K138-E149 PolarHBondContact NZ-OE1 3.2Å; K138-E149 IonicContact NZ-OE2 3.03Å; K138-E149 PolarHBondContact NZ-OE2 3.07Å; E149-H151 PolarHBondContact O-N 3.43Å; E149-H151 VanDerWaalsContact O-N 3.16Å; E149-E152 WeakPolarHBondContact O-CB 3.33Å; E149-E152 PolarHBondContact O-N 2.83Å; E149-I153 WeakPolarHBondContact O-CG1 3.45Å; E149-I153 PolarHBondContact O-N 3.45Å; E149-I153 VanDerWaalsContact O-N 3.07Å
150	W	87.9	Confident	87.3	Confident	53 Å²	53	72.5 Å²	72.5	20%	0.201	38%	0.379	C	S	.	.	H	α-helix	trans	-57.2	-32.4	-178.5	-81.2	113.2	0	0	0	113	K138 E152 I153 L154 F166 L170	K138-W150 HydrophobicContact CG-CZ2 4.15Å; W150-E152 VanDerWaalsContact C-N 3.34Å; W150-E152 PolarHBondContact O-N 2.9Å; W150-I153 HydrophobicContact CD2-CD1 4.32Å; W150-I153 HydrophobicContact CE3-CB 4.35Å; W150-I153 HydrophobicContact CE3-CD1 4.03Å; W150-I153 HydrophobicContact CE3-CG2 4.23Å; W150-I153 HydrophobicContact CZ3-CD1 4.47Å; W150-I153 HydrophobicContact CZ3-CG2 4.32Å; W150-I153 PolarHBondContact O-N 3.34Å; W150-L154 WeakPolarHBondContact O-CB 3.21Å; W150-L154 VanDerWaalsContact O-CG 3.3Å; W150-L154 WeakPolarHBondContact O-CG 3.2Å; W150-L154 PolarHBondContact O-N 3.04Å; W150-F166 HydrophobicContact CH2-CD1 4.21Å; W150-F166 HydrophobicContact CH2-CE1 4.44Å; W150-F166 AromaticContact CZ3-CD1 3.73Å; W150-F166 HydrophobicContact CZ3-CD1 3.73Å; W150-F166 HydrophobicContact CZ3-CE1 4.19Å; W150-F166 HydrophobicContact CZ3-CG 4.24Å; W150-L170 HydrophobicContact CB-CD1 3.86Å; W150-L170 HydrophobicContact CD2-CD1 3.9Å; W150-L170 HydrophobicContact CD2-CD2 3.89Å; W150-L170 HydrophobicContact CD2-CG 4.38Å; W150-L170 HydrophobicContact CE3-CD1 3.93Å; W150-L170 HydrophobicContact CE3-CD2 4.46Å; W150-L170 HydrophobicContact CG-CD1 3.9Å; W150-L170 HydrophobicContact CG-CD2 3.98Å; W150-L170 HydrophobicContact CZ2-CD2 4.41Å
151	H	88.1	Confident	87	Confident	156 Å²	156	76.2 Å²	76.2	72%	0.722	40%	0.396	S	S	*	.	H	α-helix	trans	-63.5	-39.1	175.3	-60.9	-15.5	0	0	0	112.5	E149 A155	E149-H151 PolarHBondContact O-N 3.43Å; E149-H151 VanDerWaalsContact O-N 3.16Å; H151-A155 WeakPolarHBondContact O-CB 3.42Å; H151-A155 PolarHBondContact O-N 2.95Å
152	E	89.2	Confident	87	Confident	118 Å²	118	74.7 Å²	74.7	55%	0.551	39%	0.388	S	S	*	.	H	α-helix	trans	-69.9	-37.6	175.3	-65.8	177.8	-160.6	0	0	111.4	P148 E149 W150 A155 Y156	P148-E152 HydrophobicContact CB-CB 3.9Å; P148-E152 WeakPolarHBondContact CB-OE2 3.34Å; E149-E152 WeakPolarHBondContact O-CB 3.33Å; E149-E152 PolarHBondContact O-N 2.83Å; W150-E152 VanDerWaalsContact C-N 3.34Å; W150-E152 PolarHBondContact O-N 2.9Å; E152-A155 PolarHBondContact O-N 3.38Å; E152-Y156 WeakPolarHBondContact O-CB 3.47Å; E152-Y156 PolarHBondContact O-N 3.47Å
153	I	89.6	Confident	87.2	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-64.3	-45.7	176	-63.9	162	0	0	0	110.7	K138 P139 L141 P148 E149 W150 A155 Y156 F157	K138-I153 HydrophobicContact CD-CD1 4.21Å; K138-I153 HydrophobicContact CG-CD1 3.68Å; P139-I153 HydrophobicContact CG-CD1 3.91Å; P139-I153 HydrophobicContact CG-CG1 4.28Å; P139-I153 HydrophobicContact CG-CG2 3.77Å; P139-I153 WeakPolarHBondContact O-CD1 3.29Å; L141-I153 HydrophobicContact CD1-CG1 4.38Å; P148-I153 HydrophobicContact CB-CG1 4.34Å; P148-I153 HydrophobicContact CG-CD1 4.45Å; P148-I153 HydrophobicContact CG-CG1 4.08Å; E149-I153 WeakPolarHBondContact O-CG1 3.45Å; E149-I153 PolarHBondContact O-N 3.45Å; E149-I153 VanDerWaalsContact O-N 3.07Å; W150-I153 HydrophobicContact CD2-CD1 4.32Å; W150-I153 HydrophobicContact CE3-CB 4.35Å; W150-I153 HydrophobicContact CE3-CD1 4.03Å; W150-I153 HydrophobicContact CE3-CG2 4.23Å; W150-I153 HydrophobicContact CZ3-CD1 4.47Å; W150-I153 HydrophobicContact CZ3-CG2 4.32Å; W150-I153 PolarHBondContact O-N 3.34Å; I153-A155 VanDerWaalsContact C-N 3.33Å; I153-A155 PolarHBondContact O-N 3Å; I153-Y156 WeakPolarHBondContact O-CB 3.3Å; I153-Y156 PolarHBondContact O-N 3.34Å; I153-F157 HydrophobicContact CG2-CD2 3.92Å; I153-F157 HydrophobicContact CG2-CE2 3.97Å; I153-F157 VanDerWaalsContact O-CD2 3.28Å; I153-F157 WeakPolarHBondContact O-CD2 3.29Å; I153-F157 PolarHBondContact O-N 3.39Å
154	L	89.8	Confident	87.3	Confident	30 Å²	30	77.4 Å²	77.4	16%	0.157	40%	0.396	C	S	.	.	H	α-helix	trans	-64.1	-38.4	176	-70.4	173.9	0	0	0	111.8	W150 Y156 F157 R158 F166 L170	W150-L154 WeakPolarHBondContact O-CB 3.21Å; W150-L154 VanDerWaalsContact O-CG 3.3Å; W150-L154 WeakPolarHBondContact O-CG 3.2Å; W150-L154 PolarHBondContact O-N 3.04Å; L154-Y156 VanDerWaalsContact C-N 3.33Å; L154-F157 PolarHBondContact O-N 3.19Å; L154-R158 PolarHBondContact O-N 3.34Å; L154-F166 HydrophobicContact CD2-CB 3.59Å; L154-L170 HydrophobicContact CD1-CD1 4.12Å
155	A	90	Very high	87.7	Confident	65 Å²	65	75.3 Å²	75.3	54%	0.537	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-37.9	174.6	0	0	0	0	0	112	H151 E152 I153 R158	H151-A155 WeakPolarHBondContact O-CB 3.42Å; H151-A155 PolarHBondContact O-N 2.95Å; E152-A155 PolarHBondContact O-N 3.38Å; I153-A155 VanDerWaalsContact C-N 3.33Å; I153-A155 PolarHBondContact O-N 3Å; A155-R158 WeakPolarHBondContact O-CB 3.31Å; A155-R158 PolarHBondContact O-N 3.18Å
156	Y	88.6	Confident	88	Confident	86 Å²	86	68.4 Å²	68.4	34%	0.337	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-41.5	176.3	177.2	-93.9	0	0	0	112.2	K91 D92 T93 L141 E152 I153 L154 R158	K91-Y156 PolarHBondContact O-OH 3.24Å; D92-Y156 WeakPolarHBondContact CA-OH 3.19Å; T93-Y156 PolarHBondContact N-OH 3.37Å; T93-Y156 PolarHBondContact O-OH 3.28Å; L141-Y156 HydrophobicContact CD1-CD1 4.2Å; L141-Y156 HydrophobicContact CD1-CD2 4.01Å; L141-Y156 HydrophobicContact CD1-CG 3.69Å; L141-Y156 HydrophobicContact CD2-CD1 3.57Å; L141-Y156 HydrophobicContact CD2-CD2 4.47Å; L141-Y156 HydrophobicContact CD2-CE1 3.76Å; L141-Y156 HydrophobicContact CD2-CG 3.94Å; L141-Y156 HydrophobicContact CG-CG 4.43Å; E152-Y156 WeakPolarHBondContact O-CB 3.47Å; E152-Y156 PolarHBondContact O-N 3.47Å; I153-Y156 WeakPolarHBondContact O-CB 3.3Å; I153-Y156 PolarHBondContact O-N 3.34Å; L154-Y156 VanDerWaalsContact C-N 3.33Å; Y156-R158 VanDerWaalsContact C-N 3.26Å; Y156-R158 PolarHBondContact O-N 3.32Å
157	F	88.2	Confident	88.2	Confident	19 Å²	19	64 Å²	64	8%	0.083	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	11	177.8	-71.8	-66.1	0	0	0	114.2	T94 L107 L141 I153 L154 G159 S160 L162 F166	T94-F157 HydrophobicContact CG2-CZ 4.16Å; L107-F157 HydrophobicContact CD1-CZ 4.29Å; L141-F157 HydrophobicContact CD2-CE2 4.34Å; I153-F157 HydrophobicContact CG2-CD2 3.92Å; I153-F157 HydrophobicContact CG2-CE2 3.97Å; I153-F157 VanDerWaalsContact O-CD2 3.28Å; I153-F157 WeakPolarHBondContact O-CD2 3.29Å; I153-F157 PolarHBondContact O-N 3.39Å; L154-F157 PolarHBondContact O-N 3.19Å; F157-G159 PolarHBondContact O-N 3.23Å; F157-S160 WeakPolarHBondContact O-CB 3.45Å; F157-S160 PolarHBondContact O-N 3.04Å; F157-S160 PolarHBondContact O-OG 3.13Å; F157-L162 HydrophobicContact CB-CB 4.45Å; F157-L162 HydrophobicContact CD1-CB 4.2Å; F157-L162 HydrophobicContact CD1-CD1 3.94Å; F157-L162 HydrophobicContact CE1-CD1 3.84Å; F157-L162 HydrophobicContact CG-CB 4.3Å; F157-F166 HydrophobicContact CD2-CD2 4.09Å; F157-F166 AromaticContact CD2-CE2 3.89Å; F157-F166 HydrophobicContact CD2-CE2 3.89Å; F157-F166 AromaticContact CE2-CE2 3.88Å; F157-F166 HydrophobicContact CE2-CE2 3.88Å
158	R	88.1	Confident	88.3	Confident	207 Å²	207	64.9 Å²	64.9	78%	0.781	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	128.1	-173.7	-171.9	176.7	-175.7	173.4	2.5	112.3	L154 A155 Y156 Q163	L154-R158 PolarHBondContact O-N 3.34Å; A155-R158 WeakPolarHBondContact O-CB 3.31Å; A155-R158 PolarHBondContact O-N 3.18Å; Y156-R158 VanDerWaalsContact C-N 3.26Å; Y156-R158 PolarHBondContact O-N 3.32Å; R158-Q163 VanDerWaalsContact CA-OE1 3.31Å
159	G	84.9	Confident	88.3	Confident	77 Å²	77	65.4 Å²	65.4	79%	0.794	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	2.5	-178.6	0	0	0	0	0	115.1	F157	F157-G159 PolarHBondContact O-N 3.23Å
160	S	86.8	Confident	88.1	Confident	42 Å²	42	63 Å²	63	29%	0.294	32%	0.324	S	S	.	.	S	Bend	trans	-100.8	159	172.7	75.2	0	0	0	0	112.2	F157 L162 Q163	F157-S160 WeakPolarHBondContact O-CB 3.45Å; F157-S160 PolarHBondContact O-N 3.04Å; F157-S160 PolarHBondContact O-OG 3.13Å; S160-L162 PolarHBondContact O-N 2.94Å; S160-L162 PolarHBondContact OG-N 3.28Å; S160-Q163 WeakPolarHBondContact O-CB 3.39Å; S160-Q163 PolarHBondContact O-N 2.98Å; S160-Q163 VanDerWaalsContact O-N 3.11Å
161	E	85.7	Confident	87.9	Confident	88 Å²	88	67.4 Å²	67.4	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-26.7	173.4	-68.3	-177.4	-168	0	0	112.1	R111 Q163 N164 Y165	R111-E161 IonicContact CZ-OE1 3.74Å; R111-E161 IonicContact CZ-OE2 3.34Å; R111-E161 IonicContact NE-OE1 2.8Å; R111-E161 IonicContact NE-OE2 3.29Å; R111-E161 PolarHBondContact NE-OE2 2.99Å; R111-E161 VanDerWaalsContact NE-OE2 3.12Å; R111-E161 IonicContact NH2-OE1 3.63Å; R111-E161 PolarHBondContact NH2-OE1 3.41Å; R111-E161 IonicContact NH2-OE2 3Å; E161-Q163 VanDerWaalsContact C-N 3.31Å; E161-Q163 PolarHBondContact O-N 3.25Å; E161-N164 PolarHBondContact O-N 3.35Å; E161-Y165 PolarHBondContact O-N 3.45Å
162	L	89.8	Confident	86.9	Confident	9 Å²	9	64.7 Å²	64.7	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-68.1	-28.1	177.6	-69.6	171	0	0	0	113.2	L107 T109 L133 F157 S160 N164 Y165 F166	L107-L162 HydrophobicContact CB-CD1 3.83Å; L107-L162 HydrophobicContact CB-CD2 4.47Å; T109-L162 HydrophobicContact CG2-CD1 4.34Å; T109-L162 HydrophobicContact CG2-CD2 4.32Å; T109-L162 HydrophobicContact CG2-CG 3.98Å; L133-L162 HydrophobicContact CD2-CD2 4.32Å; F157-L162 HydrophobicContact CB-CB 4.45Å; F157-L162 HydrophobicContact CD1-CB 4.2Å; F157-L162 HydrophobicContact CD1-CD1 3.94Å; F157-L162 HydrophobicContact CE1-CD1 3.84Å; F157-L162 HydrophobicContact CG-CB 4.3Å; S160-L162 PolarHBondContact O-N 2.94Å; S160-L162 PolarHBondContact OG-N 3.28Å; L162-N164 VanDerWaalsContact C-N 3.34Å; L162-Y165 PolarHBondContact O-N 3.35Å; L162-F166 HydrophobicContact CB-CD2 4.23Å; L162-F166 HydrophobicContact CB-CE2 4.14Å; L162-F166 WeakPolarHBondContact O-CD2 3.38Å; L162-F166 PolarHBondContact O-N 2.93Å
163	Q	89.1	Confident	86.3	Confident	53 Å²	53	65.5 Å²	65.5	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-51	174.5	-174.1	-175.5	0.3	0	0	109.7	R158 S160 E161 Y165 F166 T167	R158-Q163 VanDerWaalsContact CA-OE1 3.31Å; S160-Q163 WeakPolarHBondContact O-CB 3.39Å; S160-Q163 PolarHBondContact O-N 2.98Å; S160-Q163 VanDerWaalsContact O-N 3.11Å; E161-Q163 VanDerWaalsContact C-N 3.31Å; E161-Q163 PolarHBondContact O-N 3.25Å; Q163-Y165 VanDerWaalsContact C-N 3.28Å; Q163-Y165 PolarHBondContact O-N 2.85Å; Q163-F166 PolarHBondContact O-N 3.25Å; Q163-T167 WeakPolarHBondContact O-CB 3.2Å; Q163-T167 PolarHBondContact O-N 3.2Å; Q163-T167 PolarHBondContact O-OG1 3.45Å
164	N	87.8	Confident	86	Confident	106 Å²	106	66.6 Å²	66.6	57%	0.567	35%	0.351	S	S	*	.	H	α-helix	trans	-61.9	-38.6	178.7	-66	-19.2	0	0	0	111.5	E161 L162 K168	E161-N164 PolarHBondContact O-N 3.35Å; L162-N164 VanDerWaalsContact C-N 3.34Å; N164-K168 WeakPolarHBondContact O-CB 3.3Å; N164-K168 VanDerWaalsContact O-CG 3.3Å; N164-K168 WeakPolarHBondContact O-CG 3.42Å; N164-K168 PolarHBondContact O-N 3.39Å
165	Y	90.3	Very high	85.9	Confident	6 Å²	6	70.1 Å²	70.1	2%	0.024	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-49.6	177.3	-178.4	-99.2	0	0	0	112.3	P110 L133 E161 L162 Q163 K168 L169 I247 F278	P110-Y165 HydrophobicContact CG-CD2 3.71Å; P110-Y165 HydrophobicContact CG-CE1 4.48Å; P110-Y165 HydrophobicContact CG-CE2 3.63Å; P110-Y165 HydrophobicContact CG-CG 4.17Å; L133-Y165 HydrophobicContact CB-CE1 4.31Å; L133-Y165 HydrophobicContact CD2-CD1 4.28Å; L133-Y165 HydrophobicContact CD2-CE1 3.83Å; L133-Y165 PolarHBondContact O-OH 3.21Å; E161-Y165 PolarHBondContact O-N 3.45Å; L162-Y165 PolarHBondContact O-N 3.35Å; Q163-Y165 VanDerWaalsContact C-N 3.28Å; Q163-Y165 PolarHBondContact O-N 2.85Å; Y165-K168 PolarHBondContact O-N 2.96Å; Y165-L169 WeakPolarHBondContact O-CB 3.38Å; Y165-L169 PolarHBondContact O-N 2.93Å; Y165-I247 HydrophobicContact CE2-CD1 4.11Å; Y165-I247 HydrophobicContact CE2-CG1 4.33Å; Y165-I247 VanDerWaalsContact OH-CD1 3.22Å; Y165-I247 WeakPolarHBondContact OH-CD1 3.31Å; Y165-F278 HydrophobicContact CD2-CD1 4.36Å; Y165-F278 HydrophobicContact CD2-CE1 4.13Å; Y165-F278 HydrophobicContact CD2-CZ 4.27Å; Y165-F278 HydrophobicContact CE2-CD1 4.28Å; Y165-F278 HydrophobicContact CE2-CD2 4.38Å; Y165-F278 HydrophobicContact CE2-CE1 4.46Å; Y165-F278 HydrophobicContact CE2-CG 4.21Å
166	F	90.4	Very high	85.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-68.9	-34.9	179	-72.8	-56.5	0	0	0	112.6	L107 I132 W150 L154 F157 L162 Q163 L169 L170	L107-F166 HydrophobicContact CD1-CE2 4.2Å; L107-F166 HydrophobicContact CD1-CZ 3.79Å; I132-F166 HydrophobicContact CG2-CE1 4.48Å; I132-F166 HydrophobicContact CG2-CZ 4.2Å; W150-F166 HydrophobicContact CH2-CD1 4.21Å; W150-F166 HydrophobicContact CH2-CE1 4.44Å; W150-F166 AromaticContact CZ3-CD1 3.73Å; W150-F166 HydrophobicContact CZ3-CD1 3.73Å; W150-F166 HydrophobicContact CZ3-CE1 4.19Å; W150-F166 HydrophobicContact CZ3-CG 4.24Å; L154-F166 HydrophobicContact CD2-CB 3.59Å; F157-F166 HydrophobicContact CD2-CD2 4.09Å; F157-F166 AromaticContact CD2-CE2 3.89Å; F157-F166 HydrophobicContact CD2-CE2 3.89Å; F157-F166 AromaticContact CE2-CE2 3.88Å; F157-F166 HydrophobicContact CE2-CE2 3.88Å; L162-F166 HydrophobicContact CB-CD2 4.23Å; L162-F166 HydrophobicContact CB-CE2 4.14Å; L162-F166 WeakPolarHBondContact O-CD2 3.38Å; L162-F166 PolarHBondContact O-N 2.93Å; Q163-F166 PolarHBondContact O-N 3.25Å; F166-L169 HydrophobicContact CD1-CD2 4.13Å; F166-L169 PolarHBondContact O-N 2.9Å; F166-L170 VanDerWaalsContact O-CG 3.31Å; F166-L170 WeakPolarHBondContact O-CG 3.18Å; F166-L170 PolarHBondContact O-N 3.29Å; F166-L170 VanDerWaalsContact O-N 3.08Å
167	T	88.6	Confident	86.1	Confident	31 Å²	31	65 Å²	65	19%	0.19	34%	0.336	C	S	.	.	H	α-helix	trans	-59.4	-50	171.6	-66	0	0	0	0	110.3	Q163 L169 L170 E171	Q163-T167 WeakPolarHBondContact O-CB 3.2Å; Q163-T167 PolarHBondContact O-N 3.2Å; Q163-T167 PolarHBondContact O-OG1 3.45Å; T167-L169 VanDerWaalsContact C-N 3.34Å; T167-L169 PolarHBondContact O-N 3.47Å; T167-L170 PolarHBondContact O-N 2.96Å; T167-L170 VanDerWaalsContact O-N 3.16Å; T167-E171 HydrophobicContact CG2-CG 4.11Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.01Å; T167-E171 WeakPolarHBondContact CG2-OE2 3.42Å; T167-E171 WeakPolarHBondContact O-CB 3.4Å; T167-E171 WeakPolarHBondContact O-CG 3.23Å; T167-E171 PolarHBondContact O-N 3.41Å
168	K	86.5	Confident	86.2	Confident	93 Å²	93	65.9 Å²	65.9	40%	0.404	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-38.9	175.6	-71.5	-177	174.7	-168.2	0	113.1	N164 Y165 L170 D172 L174	N164-K168 WeakPolarHBondContact O-CB 3.3Å; N164-K168 VanDerWaalsContact O-CG 3.3Å; N164-K168 WeakPolarHBondContact O-CG 3.42Å; N164-K168 PolarHBondContact O-N 3.39Å; Y165-K168 PolarHBondContact O-N 2.96Å; K168-L170 PolarHBondContact O-N 2.87Å; K168-D172 WeakPolarHBondContact CG-OD2 3.4Å; K168-D172 WeakPolarHBondContact O-CA 3.38Å; K168-D172 VanDerWaalsContact O-CB 3.3Å; K168-D172 WeakPolarHBondContact O-CB 3.32Å; K168-D172 PolarHBondContact O-N 3.42Å; K168-L174 HydrophobicContact CB-CD1 3.84Å; K168-L174 HydrophobicContact CB-CG 4.37Å
169	L	86.8	Confident	86.4	Confident	19 Å²	19	56 Å²	56	10%	0.099	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-35.4	176.9	-171.5	68.6	0	0	0	111.7	Y165 F166 T167 L174 I247	Y165-L169 WeakPolarHBondContact O-CB 3.38Å; Y165-L169 PolarHBondContact O-N 2.93Å; F166-L169 HydrophobicContact CD1-CD2 4.13Å; F166-L169 PolarHBondContact O-N 2.9Å; T167-L169 VanDerWaalsContact C-N 3.34Å; T167-L169 PolarHBondContact O-N 3.47Å; L169-L174 HydrophobicContact CD1-CB 4.18Å; L169-I247 HydrophobicContact CD1-CD1 3.98Å
170	L	84	Confident	86.3	Confident	66 Å²	66	55.1 Å²	55.1	35%	0.346	28%	0.284	S	S	.	.	H	α-helix	trans	-86.8	-40.6	179.7	-66.7	169.6	0	0	0	113.4	W150 L154 F166 T167 K168	W150-L170 HydrophobicContact CB-CD1 3.86Å; W150-L170 HydrophobicContact CD2-CD1 3.9Å; W150-L170 HydrophobicContact CD2-CD2 3.89Å; W150-L170 HydrophobicContact CD2-CG 4.38Å; W150-L170 HydrophobicContact CE3-CD1 3.93Å; W150-L170 HydrophobicContact CE3-CD2 4.46Å; W150-L170 HydrophobicContact CG-CD1 3.9Å; W150-L170 HydrophobicContact CG-CD2 3.98Å; W150-L170 HydrophobicContact CZ2-CD2 4.41Å; L154-L170 HydrophobicContact CD1-CD1 4.12Å; F166-L170 VanDerWaalsContact O-CG 3.31Å; F166-L170 WeakPolarHBondContact O-CG 3.18Å; F166-L170 PolarHBondContact O-N 3.29Å; F166-L170 VanDerWaalsContact O-N 3.08Å; T167-L170 PolarHBondContact O-N 2.96Å; T167-L170 VanDerWaalsContact O-N 3.16Å; K168-L170 PolarHBondContact O-N 2.87Å
171	E	83.1	Confident	85.8	Confident	144 Å²	144	55.6 Å²	55.6	67%	0.673	28%	0.282	S	S	*	.	H	α-helix	trans	-82.5	-46.3	-175.9	-70.1	178.9	177.5	0	0	112.3	T167	T167-E171 HydrophobicContact CG2-CG 4.11Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.01Å; T167-E171 WeakPolarHBondContact CG2-OE2 3.42Å; T167-E171 WeakPolarHBondContact O-CB 3.4Å; T167-E171 WeakPolarHBondContact O-CG 3.23Å; T167-E171 PolarHBondContact O-N 3.41Å
172	D	68	Low	85.4	Confident	99 Å²	99	57.4 Å²	57.4	53%	0.529	29%	0.286	S	S	.	.	S	Bend	trans	-90.6	-1.7	-174.6	-61.7	-36.5	0	0	0	112.7	K168 L174	K168-D172 WeakPolarHBondContact CG-OD2 3.4Å; K168-D172 WeakPolarHBondContact O-CA 3.38Å; K168-D172 VanDerWaalsContact O-CB 3.3Å; K168-D172 WeakPolarHBondContact O-CB 3.32Å; K168-D172 PolarHBondContact O-N 3.42Å; D172-L174 HydrophobicContact CB-CD2 3.92Å; D172-L174 HydrophobicContact CB-CG 4.26Å; D172-L174 PolarHBondContact O-N 2.92Å
173	N	76.4	Confident	84.7	Confident	135 Å²	135	57 Å²	57	72%	0.722	28%	0.283	S	S	*	.			trans	46.2	46.4	-173.4	-75.9	-45	0	0	0	112.7	R175	N173-R175 PolarHBondContact O-N 2.85Å; N173-R175 VanDerWaalsContact O-N 3.14Å
174	L	82.9	Confident	83.9	Confident	23 Å²	23	58.4 Å²	58.4	12%	0.12	29%	0.293	C	S	.	.			trans	-50.4	122.5	-177.1	-63.4	-179.7	0	0	0	110.9	K168 L169 D172 A176 D246 I247 F278	K168-L174 HydrophobicContact CB-CD1 3.84Å; K168-L174 HydrophobicContact CB-CG 4.37Å; L169-L174 HydrophobicContact CD1-CB 4.18Å; D172-L174 HydrophobicContact CB-CD2 3.92Å; D172-L174 HydrophobicContact CB-CG 4.26Å; D172-L174 PolarHBondContact O-N 2.92Å; L174-A176 PolarHBondContact O-N 3.06Å; L174-D246 HydrophobicContact CB-CB 4.14Å; L174-D246 HydrophobicContact CD2-CB 3.77Å; L174-D246 HydrophobicContact CG-CB 4.46Å; L174-I247 HydrophobicContact CB-CD1 3.76Å; L174-I247 HydrophobicContact CB-CG1 4.44Å; L174-I247 HydrophobicContact CD1-CD1 4Å; L174-I247 HydrophobicContact CD1-CG1 4.44Å; L174-F278 HydrophobicContact CD1-CE2 4.33Å
175	R	88.6	Confident	83.4	Confident	104 Å²	104	58.8 Å²	58.8	39%	0.392	29%	0.291	S	S	.	.			trans	-78.9	116	-179.7	-177.4	171.5	167.7	-161.2	-6.3	109.1	N173 D203 R244 A245 D246 I247	N173-R175 PolarHBondContact O-N 2.85Å; N173-R175 VanDerWaalsContact O-N 3.14Å; R175-D203 IonicContact CZ-OD2 3.58Å; R175-D203 IonicContact NH1-OD2 3.83Å; R175-D203 PolarHBondContact NH1-OD2 3.44Å; R175-D203 IonicContact NH2-OD2 2.7Å; R175-D203 PolarHBondContact NH2-OD2 3.42Å; R175-R244 WeakPolarHBondContact CD-O 3.27Å; R175-R244 PolarHBondContact NE-O 3.38Å; R175-R244 PolarHBondContact NH1-O 2.97Å; R175-A245 WeakPolarHBondContact O-CB 3.41Å; R175-D246 PolarHBondContact N-OD2 3.41Å; R175-D246 PolarHBondContact O-N 3.11Å; R175-I247 PolarHBondContact O-N 2.95Å
176	A	89.9	Confident	82.9	Confident	31 Å²	31	59.7 Å²	59.7	26%	0.256	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.5	175.7	0	0	0	0	0	111.8	L174 I247	L174-A176 PolarHBondContact O-N 3.06Å; A176-I247 WeakPolarHBondContact CA-O 3.42Å; A176-I247 HydrophobicContact CB-CB 4.1Å; A176-I247 HydrophobicContact CB-CD1 4.22Å
177	V	92.1	Very high	82.3	Confident	13 Å²	13	61.3 Å²	61.3	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.8	174.5	179	0	0	0	0	109.1	V240 Q243 A245 I247 M249	V177-V240 HydrophobicContact CG1-CB 4.15Å; V177-V240 HydrophobicContact CG1-CG1 3.82Å; V177-V240 HydrophobicContact CG1-CG2 3.86Å; V177-Q243 HydrophobicContact CG2-CB 4.32Å; V177-A245 HydrophobicContact CB-CB 4Å; V177-A245 HydrophobicContact CG2-CB 3.55Å; V177-I247 PolarHBondContact N-O 3.26Å; V177-M249 PolarHBondContact O-N 2.83Å
178	I	91.1	Very high	81.9	Confident	37 Å²	37	67.4 Å²	67.4	19%	0.19	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.8	-174	-48.8	175	0	0	0	109.5	S134 K136 P180 M249	S134-I178 VanDerWaalsContact OG-CD1 3.3Å; S134-I178 WeakPolarHBondContact OG-CD1 3.22Å; K136-I178 HydrophobicContact CD-CD1 3.97Å; I178-P180 WeakPolarHBondContact O-CD 3.36Å; I178-M249 WeakPolarHBondContact CA-O 3.38Å; I178-M249 HydrophobicContact CB-CB 4.38Å; I178-M249 HydrophobicContact CD1-SD 4.34Å; I178-M249 HydrophobicContact CG1-CB 4.14Å; I178-M249 HydrophobicContact CG1-CG 4.45Å; I178-M249 HydrophobicContact CG1-SD 4.08Å; I178-M249 HydrophobicContact CG2-CB 4.19Å
179	K	91.2	Very high	81.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	118.8	162	-175.7	-94.8	169.1	-169.6	0	108.6	Q181 Q233 A236 V240 M249 F250 D251 E252	K179-Q181 PolarHBondContact NZ-O 2.9Å; K179-Q233 VanDerWaalsContact CE-OE1 3.23Å; K179-Q233 VanDerWaalsContact NZ-OE1 3.08Å; K179-A236 HydrophobicContact CG-CB 4.27Å; K179-V240 HydrophobicContact CB-CG2 4.05Å; K179-M249 PolarHBondContact N-O 3.37Å; K179-F250 HydrophobicContact CB-CD1 4.22Å; K179-D251 VanDerWaalsContact CD-O 3.24Å; K179-D251 WeakPolarHBondContact CD-O 3.48Å; K179-D251 PolarHBondContact NZ-O 2.7Å; K179-D251 WeakPolarHBondContact O-CB 3.47Å; K179-D251 PolarHBondContact O-N 2.96Å; K179-E252 PolarHBondContact NZ-O 2.86Å
180	P	82.9	Confident	81	Confident	58 Å²	58	68 Å²	68	38%	0.377	36%	0.358	S	S	.	.			trans	-68.5	147.3	-179.6	28.1	-34.1	0	0	0	112	I178 I186	I178-P180 WeakPolarHBondContact O-CD 3.36Å; P180-I186 HydrophobicContact CG-CD1 4.15Å; P180-I186 HydrophobicContact CG-CG1 4.17Å
181	Q	77.8	Confident	80.7	Confident	52 Å²	52	73.7 Å²	73.7	24%	0.243	38%	0.38	C	S	.	.	S	Bend	trans	-57.7	-53.4	178.7	-169	-176.7	18	0	0	111.7	K179 V183 D251 E252	K179-Q181 PolarHBondContact NZ-O 2.9Å; Q181-V183 PolarHBondContact O-N 2.86Å; Q181-D251 HydrophobicContact CB-CB 4.41Å; Q181-E252 PolarHBondContact NE2-OE1 2.86Å
182	Y	75.6	Confident	80.7	Confident	126 Å²	126	68.1 Å²	68.1	49%	0.494	36%	0.361	S	S	.	.			trans	-88	108.8	-178.2	-58.2	-72.8	0	0	0	111.5	D184	Y182-D184 VanDerWaalsContact C-N 3.3Å
183	V	75.3	Confident	81.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-70.6	-26.9	175	-69.7	0	0	0	0	113.1	Q181 Q185 I186 P187 L232 Q233 Y256	Q181-V183 PolarHBondContact O-N 2.86Å; V183-Q185 PolarHBondContact O-N 2.83Å; V183-I186 HydrophobicContact CB-CD1 4.18Å; V183-I186 HydrophobicContact CG1-CD1 4.08Å; V183-I186 VanDerWaalsContact O-CB 3.3Å; V183-I186 WeakPolarHBondContact O-CB 3.34Å; V183-I186 WeakPolarHBondContact O-CG1 3.5Å; V183-I186 PolarHBondContact O-N 2.91Å; V183-P187 WeakPolarHBondContact O-CD 3.35Å; V183-L232 HydrophobicContact CB-CD2 3.86Å; V183-L232 HydrophobicContact CB-CG 4.12Å; V183-L232 HydrophobicContact CG2-CD2 4.24Å; V183-L232 VanDerWaalsContact O-CD2 3.32Å; V183-L232 WeakPolarHBondContact O-CD2 3.46Å; V183-Q233 HydrophobicContact CG1-CB 4.49Å; V183-Y256 HydrophobicContact CG2-CD2 4.1Å; V183-Y256 HydrophobicContact CG2-CE2 3.65Å
184	D	73.4	Confident	82.2	Confident	84 Å²	84	59 Å²	59	45%	0.449	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-62.4	-18.2	-177	-54.1	-55.8	0	0	0	113.3	Y182	Y182-D184 VanDerWaalsContact C-N 3.3Å
185	Q	77	Confident	82.4	Confident	114 Å²	114	63.3 Å²	63.3	53%	0.533	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-83.7	-18.2	176	-63.3	179.4	2.8	0	0	112.8	V183 Q188 A189	V183-Q185 PolarHBondContact O-N 2.83Å; Q185-Q188 PolarHBondContact O-N 3.48Å; Q185-A189 PolarHBondContact O-N 3.41Å
186	I	79.6	Confident	82.4	Confident	25 Å²	25	61.9 Å²	61.9	13%	0.128	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-47.5	-177.6	-60.1	173	0	0	0	111.5	P180 V183 Q188 A189 A190 L232 A236	P180-I186 HydrophobicContact CG-CD1 4.15Å; P180-I186 HydrophobicContact CG-CG1 4.17Å; V183-I186 HydrophobicContact CB-CD1 4.18Å; V183-I186 HydrophobicContact CG1-CD1 4.08Å; V183-I186 VanDerWaalsContact O-CB 3.3Å; V183-I186 WeakPolarHBondContact O-CB 3.34Å; V183-I186 WeakPolarHBondContact O-CG1 3.5Å; V183-I186 PolarHBondContact O-N 2.91Å; I186-Q188 PolarHBondContact O-N 2.9Å; I186-A189 PolarHBondContact O-N 2.92Å; I186-A189 VanDerWaalsContact O-N 3.16Å; I186-A190 PolarHBondContact O-N 2.89Å; I186-L232 HydrophobicContact CB-CD1 4.27Å; I186-L232 HydrophobicContact CG2-CD1 4.12Å; I186-A236 HydrophobicContact CD1-CB 3.73Å
187	P	78.5	Confident	82.2	Confident	33 Å²	33	62 Å²	62	21%	0.214	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-23.4	178.5	-20.3	33.9	0	0	0	113.3	V183 I224 L232	V183-P187 WeakPolarHBondContact O-CD 3.35Å; P187-I224 HydrophobicContact CB-CG2 4.31Å; P187-I224 HydrophobicContact CG-CG2 4.3Å; P187-L232 HydrophobicContact CG-CD1 4.17Å; P187-L232 HydrophobicContact CG-CD2 3.78Å
188	Q	78.5	Confident	81.9	Confident	160 Å²	160	61.4 Å²	61.4	75%	0.748	32%	0.321	S	S	*	.	H	α-helix	trans	-77	-36.7	175.6	-59.8	-178.7	12.1	0	0	111.4	Q185 I186	Q185-Q188 PolarHBondContact O-N 3.48Å; I186-Q188 PolarHBondContact O-N 2.9Å
189	A	78.6	Confident	81.7	Confident	92 Å²	92	65 Å²	65	76%	0.76	34%	0.34	S	S	*	.	H	α-helix	trans	-83.3	-30.5	-178.7	0	0	0	0	0	113.6	Q185 I186	Q185-A189 PolarHBondContact O-N 3.41Å; I186-A189 PolarHBondContact O-N 2.92Å; I186-A189 VanDerWaalsContact O-N 3.16Å
190	A	75.8	Confident	81.5	Confident	31 Å²	31	72.4 Å²	72.4	26%	0.256	37%	0.372	S	S	.	.			trans	-132.9	117.6	-175.9	0	0	0	0	0	111.2	I186 M197	I186-A190 PolarHBondContact O-N 2.89Å; A190-M197 HydrophobicContact CB-CE 4.07Å
191	K	79.2	Confident	81.7	Confident	186 Å²	186	74.1 Å²	74.1	81%	0.809	37%	0.373	S	S	*	.			trans	-105.6	138.7	173.2	-64	-176.2	-179.8	-178.5	0	110	M197	K191-M197 WeakPolarHBondContact O-CE 3.31Å
192	G	83.5	Confident	82.1	Confident	28 Å²	28	73.5 Å²	73.5	29%	0.289	37%	0.372	S	S	.	.	S	Bend	trans	150.6	179.2	175.3	0	0	0	0	0	113.2	I224	G192-I224 WeakPolarHBondContact O-CG1 3.35Å; G192-I224 PolarHBondContact O-N 3.13Å; G192-I224 VanDerWaalsContact O-N 3.16Å
193	V	88.5	Confident	82.6	Confident	40 Å²	40	71.2 Å²	71.2	24%	0.242	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-76.7	144.6	172.6	-176.6	0	0	0	0	109.3	R195 D196 M197 M220	V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 HydrophobicContact CG1-CB 4.3Å; V193-R195 PolarHBondContact O-N 2.95Å; V193-D196 PolarHBondContact O-N 2.87Å; V193-M197 PolarHBondContact O-N 2.88Å; V193-M220 VanDerWaalsContact CG1-O 3.3Å; V193-M220 WeakPolarHBondContact CG1-O 3.36Å
194	V	86.9	Confident	83	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.006	38%	0.383	C	S	.	.	H	α-helix	trans	-54.9	-48.9	179.6	168.7	0	0	0	0	111.1	D196 M197 F198 M220 R222 I224 L227 F235	V194-D196 PolarHBondContact O-N 2.77Å; V194-M197 PolarHBondContact O-N 3.28Å; V194-F198 HydrophobicContact CG1-CD2 3.58Å; V194-F198 HydrophobicContact CG1-CE2 3.48Å; V194-F198 VanDerWaalsContact CG1-CE2 3.48Å; V194-F198 VanDerWaalsContact O-CD2 3.29Å; V194-F198 WeakPolarHBondContact O-CD2 3.5Å; V194-F198 PolarHBondContact O-N 2.91Å; V194-M220 HydrophobicContact CG1-SD 4.14Å; V194-R222 WeakPolarHBondContact CG2-O 3.08Å; V194-R222 PolarHBondContact N-O 3.24Å; V194-R222 VanDerWaalsContact N-O 3.09Å; V194-I224 HydrophobicContact CG2-CG1 4.17Å; V194-L227 HydrophobicContact CG2-CD1 3.87Å; V194-L227 HydrophobicContact CG2-CD2 4.47Å; V194-F235 HydrophobicContact CB-CE2 4.34Å; V194-F235 HydrophobicContact CG1-CD2 3.85Å; V194-F235 HydrophobicContact CG1-CE2 3.87Å; V194-F235 HydrophobicContact CG2-CD2 4.35Å; V194-F235 HydrophobicContact CG2-CE2 4.27Å
195	R	87.5	Confident	83.6	Confident	114 Å²	114	73.3 Å²	73.3	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-54.3	-45.9	177.7	-174.4	-175.3	-63	-113.6	4.6	113.3	V193 M197 F198 L199 M220 D221	V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 HydrophobicContact CG1-CB 4.3Å; V193-R195 PolarHBondContact O-N 2.95Å; R195-M197 VanDerWaalsContact C-N 3.29Å; R195-M197 PolarHBondContact O-N 2.86Å; R195-F198 WeakPolarHBondContact O-CB 3.39Å; R195-F198 PolarHBondContact O-N 3.17Å; R195-L199 HydrophobicContact CG-CD1 4.14Å; R195-L199 WeakPolarHBondContact O-CG 3.26Å; R195-L199 PolarHBondContact O-N 2.85Å; R195-M220 HydrophobicContact CB-CE 4.1Å; R195-M220 WeakPolarHBondContact CB-O 3.47Å; R195-M220 HydrophobicContact CG-CE 4.12Å; R195-M220 PolarHBondContact N-O 3.37Å; R195-D221 IonicContact CZ-OD1 3.12Å; R195-D221 IonicContact NE-OD1 3.67Å; R195-D221 PolarHBondContact NE-OD1 3.44Å; R195-D221 IonicContact NH2-OD1 3.86Å; R195-D221 PolarHBondContact NH2-OD1 3.21Å
196	D	87.2	Confident	84	Confident	75 Å²	75	72 Å²	72	40%	0.401	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-37	-178.4	-64.4	-15	0	0	0	111.8	V193 V194 K200	V193-D196 PolarHBondContact O-N 2.87Å; V194-D196 PolarHBondContact O-N 2.77Å; D196-K200 WeakPolarHBondContact O-CB 3.33Å; D196-K200 WeakPolarHBondContact O-CD 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.29Å; D196-K200 PolarHBondContact O-N 3.45Å; D196-K200 VanDerWaalsContact O-N 3.07Å
197	M	85.6	Confident	84.2	Confident	33 Å²	33	71.9 Å²	71.9	16%	0.163	39%	0.385	C	S	.	.	H	α-helix	trans	-70.8	-37.9	177	-73.9	-64.4	-179.3	0	0	112.2	A190 K191 V193 V194 R195 K200 K201 I224 F235	A190-M197 HydrophobicContact CB-CE 4.07Å; K191-M197 WeakPolarHBondContact O-CE 3.31Å; V193-M197 PolarHBondContact O-N 2.88Å; V194-M197 PolarHBondContact O-N 3.28Å; R195-M197 VanDerWaalsContact C-N 3.29Å; R195-M197 PolarHBondContact O-N 2.86Å; M197-K200 PolarHBondContact O-N 2.88Å; M197-K201 WeakPolarHBondContact O-CB 3.39Å; M197-K201 PolarHBondContact O-N 3.17Å; M197-I224 HydrophobicContact CB-CD1 4.43Å; M197-I224 HydrophobicContact CE-CD1 4.49Å; M197-I224 HydrophobicContact CG-CD1 3.67Å; M197-F235 HydrophobicContact CB-CE2 4.34Å; M197-F235 HydrophobicContact CB-CZ 4.01Å; M197-F235 HydrophobicContact CG-CZ 4.49Å
198	F	86.4	Confident	84.6	Confident	0 Å²	0	78 Å²	78	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-59.5	-51	171.9	-91	-75.5	0	0	0	111	V194 R195 K200 K201 D202 M207 L216 M220 F235 A238 I242	V194-F198 HydrophobicContact CG1-CD2 3.58Å; V194-F198 HydrophobicContact CG1-CE2 3.48Å; V194-F198 VanDerWaalsContact CG1-CE2 3.48Å; V194-F198 VanDerWaalsContact O-CD2 3.29Å; V194-F198 WeakPolarHBondContact O-CD2 3.5Å; V194-F198 PolarHBondContact O-N 2.91Å; R195-F198 WeakPolarHBondContact O-CB 3.39Å; R195-F198 PolarHBondContact O-N 3.17Å; F198-K200 VanDerWaalsContact C-N 3.26Å; F198-K200 PolarHBondContact O-N 3.12Å; F198-K201 PolarHBondContact O-N 2.72Å; F198-K201 VanDerWaalsContact O-N 3.09Å; F198-D202 WeakPolarHBondContact O-CB 3.45Å; F198-D202 PolarHBondContact O-N 3.5Å; F198-M207 VanDerWaalsContact C-CE 3.43Å; F198-M207 HydrophobicContact CB-CE 3.61Å; F198-M207 HydrophobicContact CB-CG 4.01Å; F198-M207 HydrophobicContact CB-SD 3.69Å; F198-M207 HydrophobicContact CD1-CG 3.86Å; F198-M207 HydrophobicContact CG-CG 4.12Å; F198-M207 HydrophobicContact CG-SD 4.36Å; F198-L216 HydrophobicContact CE2-CD1 4.26Å; F198-L216 HydrophobicContact CZ-CD1 3.74Å; F198-M220 HydrophobicContact CD2-CE 4.27Å; F198-M220 HydrophobicContact CD2-SD 4.12Å; F198-M220 HydrophobicContact CE2-SD 4.22Å; F198-F235 HydrophobicContact CD2-CD2 4.41Å; F198-F235 HydrophobicContact CD2-CE2 4.19Å; F198-F235 AromaticContact CE2-CD2 3.74Å; F198-F235 HydrophobicContact CE2-CD2 3.74Å; F198-F235 AromaticContact CE2-CE2 3.98Å; F198-F235 HydrophobicContact CE2-CE2 3.98Å; F198-F235 HydrophobicContact CZ-CD2 4.27Å; F198-A238 HydrophobicContact CE1-CB 3.65Å; F198-A238 HydrophobicContact CZ-CB 3.47Å; F198-A238 VanDerWaalsContact CZ-CB 3.47Å; F198-I242 HydrophobicContact CD1-CD1 3.49Å; F198-I242 VanDerWaalsContact CD1-CD1 3.49Å; F198-I242 HydrophobicContact CD1-CG2 4.25Å; F198-I242 HydrophobicContact CE1-CD1 4.01Å; F198-I242 HydrophobicContact CE1-CG2 4.19Å; F198-I242 HydrophobicContact CG-CD1 4.39Å
199	L	86.3	Confident	85.1	Confident	113 Å²	113	74.7 Å²	74.7	59%	0.592	40%	0.395	S	S	*	.	H	α-helix	trans	-60.3	-35.1	179.5	-72.7	167.5	0	0	0	112.6	R195 K201 M207	R195-L199 HydrophobicContact CG-CD1 4.14Å; R195-L199 WeakPolarHBondContact O-CG 3.26Å; R195-L199 PolarHBondContact O-N 2.85Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-M207 HydrophobicContact CB-CE 4.34Å; L199-M207 HydrophobicContact CD2-CE 3.63Å; L199-M207 HydrophobicContact CD2-SD 4.49Å; L199-M207 HydrophobicContact CG-CE 3.85Å
200	K	87.5	Confident	85.6	Confident	155 Å²	155	70.3 Å²	70.3	67%	0.674	36%	0.358	S	S	*	.	H	α-helix	trans	-73.6	-21	178.1	-76	172.3	-176.3	176	0	114.4	D196 M197 F198	D196-K200 WeakPolarHBondContact O-CB 3.33Å; D196-K200 WeakPolarHBondContact O-CD 3.28Å; D196-K200 WeakPolarHBondContact O-CG 3.29Å; D196-K200 PolarHBondContact O-N 3.45Å; D196-K200 VanDerWaalsContact O-N 3.07Å; M197-K200 PolarHBondContact O-N 2.88Å; F198-K200 VanDerWaalsContact C-N 3.26Å; F198-K200 PolarHBondContact O-N 3.12Å
201	K	86.7	Confident	86.2	Confident	94 Å²	94	68.9 Å²	68.9	41%	0.409	35%	0.347	S	S	.	.	H	α-helix	trans	-118.7	-7.3	-170.7	-71.6	-69.8	-175.4	-179.6	0	113.9	M197 F198 L199 D203 I242 Q243	M197-K201 WeakPolarHBondContact O-CB 3.39Å; M197-K201 PolarHBondContact O-N 3.17Å; F198-K201 PolarHBondContact O-N 2.72Å; F198-K201 VanDerWaalsContact O-N 3.09Å; L199-K201 VanDerWaalsContact C-N 3.34Å; K201-D203 PolarHBondContact O-N 3.37Å; K201-I242 HydrophobicContact CB-CD1 3.95Å; K201-I242 HydrophobicContact CB-CG1 4.5Å; K201-Q243 HydrophobicContact CB-CG 4.3Å; K201-Q243 HydrophobicContact CD-CG 4.48Å; K201-Q243 VanDerWaalsContact O-CG 3.27Å; K201-Q243 WeakPolarHBondContact O-CG 3.23Å
202	D	87.1	Confident	86.7	Confident	39 Å²	39	64.4 Å²	64.4	21%	0.209	33%	0.332	C	S	.	.			trans	-76.7	100	179.2	-170.9	13.4	0	0	0	110.8	F198 L204 G205 R206 M207 I242	F198-D202 WeakPolarHBondContact O-CB 3.45Å; F198-D202 PolarHBondContact O-N 3.5Å; D202-L204 PolarHBondContact OD1-N 3.09Å; D202-G205 PolarHBondContact OD1-N 3.39Å; D202-G205 WeakPolarHBondContact OD2-CA 3.36Å; D202-R206 PolarHBondContact OD1-N 2.75Å; D202-R206 PolarHBondContact OD2-N 2.83Å; D202-M207 HydrophobicContact CB-CE 4.07Å; D202-M207 VanDerWaalsContact OD2-CB 3.31Å; D202-M207 WeakPolarHBondContact OD2-CB 3.5Å; D202-M207 PolarHBondContact OD2-N 2.9Å; D202-I242 HydrophobicContact CB-CB 4.34Å; D202-I242 HydrophobicContact CB-CD1 4.38Å
203	D	86.3	Confident	86.9	Confident	78 Å²	78	65.3 Å²	65.3	42%	0.417	33%	0.329	S	S	.	.	S	Bend	trans	-93.3	-16.4	175.8	-63.5	-31.8	0	0	0	111.4	R175 K201 I242 R244	R175-D203 IonicContact CZ-OD2 3.58Å; R175-D203 IonicContact NH1-OD2 3.83Å; R175-D203 PolarHBondContact NH1-OD2 3.44Å; R175-D203 IonicContact NH2-OD2 2.7Å; R175-D203 PolarHBondContact NH2-OD2 3.42Å; K201-D203 PolarHBondContact O-N 3.37Å; D203-I242 PolarHBondContact N-O 3.42Å; D203-R244 HydrophobicContact CB-CB 3.72Å; D203-R244 PolarHBondContact OD2-N 2.77Å
204	L	83.5	Confident	86.9	Confident	61 Å²	61	63.5 Å²	63.5	32%	0.319	32%	0.318	S	S	.	.	S	Bend	trans	-106	-10.6	-170.3	-68.6	173.7	0	0	0	113.6	D202 R206 C241 I242 R244 M272	D202-L204 PolarHBondContact OD1-N 3.09Å; L204-R206 VanDerWaalsContact C-N 3.25Å; L204-R206 HydrophobicContact CB-CB 4.39Å; L204-R206 HydrophobicContact CB-CG 4.07Å; L204-R206 PolarHBondContact O-N 3.24Å; L204-C241 WeakPolarHBondContact CD1-O 3.19Å; L204-I242 PolarHBondContact N-O 3.37Å; L204-R244 HydrophobicContact CD2-CB 4.03Å; L204-R244 HydrophobicContact CD2-CG 4.26Å; L204-R244 HydrophobicContact CG-CB 4.3Å; L204-M272 HydrophobicContact CD1-CE 3.99Å
205	G	85.4	Confident	86.8	Confident	68 Å²	68	66.7 Å²	66.7	70%	0.701	34%	0.335	S	S	*	.	S	Bend	trans	67	27.9	-174.9	0	0	0	0	0	112.5	D202	D202-G205 PolarHBondContact OD1-N 3.39Å; D202-G205 WeakPolarHBondContact OD2-CA 3.36Å
206	R	85.1	Confident	86.8	Confident	85 Å²	85	61.3 Å²	61.3	32%	0.321	32%	0.315	S	S	.	.			trans	-108	14.2	-175	-68	-171.9	-178.9	-172.7	-5.4	113.1	D202 L204 E208 E209 M210	D202-R206 PolarHBondContact OD1-N 2.75Å; D202-R206 PolarHBondContact OD2-N 2.83Å; L204-R206 VanDerWaalsContact C-N 3.25Å; L204-R206 HydrophobicContact CB-CB 4.39Å; L204-R206 HydrophobicContact CB-CG 4.07Å; L204-R206 PolarHBondContact O-N 3.24Å; R206-E208 PolarHBondContact O-N 3.23Å; R206-E209 PolarHBondContact O-N 3Å; R206-M210 HydrophobicContact CB-CE 4.24Å; R206-M210 HydrophobicContact CB-CG 4.27Å; R206-M210 WeakPolarHBondContact O-CB 3.5Å; R206-M210 VanDerWaalsContact O-CG 3.25Å; R206-M210 WeakPolarHBondContact O-CG 3.46Å; R206-M210 PolarHBondContact O-N 3.23Å
207	M	84.7	Confident	86.7	Confident	24 Å²	24	61.6 Å²	61.6	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-52.3	-52.2	-177	-179.4	-174.5	-47.5	0	0	113.4	F198 L199 D202 M210 A211 M220	F198-M207 VanDerWaalsContact C-CE 3.43Å; F198-M207 HydrophobicContact CB-CE 3.61Å; F198-M207 HydrophobicContact CB-CG 4.01Å; F198-M207 HydrophobicContact CB-SD 3.69Å; F198-M207 HydrophobicContact CD1-CG 3.86Å; F198-M207 HydrophobicContact CG-CG 4.12Å; F198-M207 HydrophobicContact CG-SD 4.36Å; L199-M207 HydrophobicContact CB-CE 4.34Å; L199-M207 HydrophobicContact CD2-CE 3.63Å; L199-M207 HydrophobicContact CD2-SD 4.49Å; L199-M207 HydrophobicContact CG-CE 3.85Å; D202-M207 HydrophobicContact CB-CE 4.07Å; D202-M207 VanDerWaalsContact OD2-CB 3.31Å; D202-M207 WeakPolarHBondContact OD2-CB 3.5Å; D202-M207 PolarHBondContact OD2-N 2.9Å; M207-M210 PolarHBondContact O-N 3.48Å; M207-A211 VanDerWaalsContact O-CB 3.25Å; M207-A211 WeakPolarHBondContact O-CB 3.25Å; M207-A211 PolarHBondContact O-N 2.97Å; M207-M220 HydrophobicContact SD-CE 4.04Å
208	E	87.1	Confident	86.6	Confident	160 Å²	160	69.2 Å²	69.2	75%	0.748	35%	0.349	S	S	*	.	H	α-helix	trans	-63.4	-46.1	-176.1	-65	-177.3	170.8	0	0	111.4	R206 M210 A211 D212	R206-E208 PolarHBondContact O-N 3.23Å; E208-M210 PolarHBondContact O-N 2.88Å; E208-A211 PolarHBondContact O-N 3.16Å; E208-D212 WeakPolarHBondContact O-CB 3.4Å; E208-D212 PolarHBondContact O-N 3.35Å
209	E	88.6	Confident	86.4	Confident	91 Å²	91	69.6 Å²	69.6	43%	0.425	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-45.5	177.4	-165.8	-162.2	158.7	0	0	111.7	R206 D212 M213	R206-E209 PolarHBondContact O-N 3Å; E209-D212 PolarHBondContact O-N 2.89Å; E209-M213 HydrophobicContact CG-CE 3.79Å; E209-M213 WeakPolarHBondContact O-CB 3.25Å; E209-M213 WeakPolarHBondContact O-CG 3.33Å; E209-M213 PolarHBondContact O-N 3.5Å
210	M	88.3	Confident	86.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-70.4	-35.9	179.5	-64.1	-60.6	135.8	0	0	112.1	R206 M207 E208 M213 L214 C241 I242 T268 M272	R206-M210 HydrophobicContact CB-CE 4.24Å; R206-M210 HydrophobicContact CB-CG 4.27Å; R206-M210 WeakPolarHBondContact O-CB 3.5Å; R206-M210 VanDerWaalsContact O-CG 3.25Å; R206-M210 WeakPolarHBondContact O-CG 3.46Å; R206-M210 PolarHBondContact O-N 3.23Å; M207-M210 PolarHBondContact O-N 3.48Å; E208-M210 PolarHBondContact O-N 2.88Å; M210-M213 HydrophobicContact CE-CE 3.27Å; M210-M213 HydrophobicContact SD-CE 3.53Å; M210-M213 VanDerWaalsContact SD-CE 3.53Å; M210-L214 WeakPolarHBondContact O-CB 3.39Å; M210-L214 PolarHBondContact O-N 3.48Å; M210-L214 VanDerWaalsContact O-N 3.13Å; M210-C241 HydrophobicContact CG-CB 4.26Å; M210-C241 HydrophobicContact SD-CB 3.75Å; M210-I242 HydrophobicContact CB-CG2 4.22Å; M210-I242 HydrophobicContact CG-CG2 4.02Å; M210-T268 HydrophobicContact SD-CG2 3.67Å; M210-M272 HydrophobicContact CE-SD 4.08Å; M210-M272 HydrophobicContact SD-SD 4.49Å
211	A	88.4	Confident	86.1	Confident	2 Å²	2	63.4 Å²	63.4	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-39.7	176.6	0	0	0	0	0	111.5	M207 E208 D215 L216 N217	M207-A211 VanDerWaalsContact O-CB 3.25Å; M207-A211 WeakPolarHBondContact O-CB 3.25Å; M207-A211 PolarHBondContact O-N 2.97Å; E208-A211 PolarHBondContact O-N 3.16Å; A211-D215 PolarHBondContact O-N 3.11Å; A211-D215 VanDerWaalsContact O-N 3.14Å; A211-L216 HydrophobicContact CB-CB 4.29Å; A211-L216 PolarHBondContact O-N 3.42Å; A211-N217 WeakPolarHBondContact CB-OD1 3.46Å
212	D	89.3	Confident	86	Confident	92 Å²	92	64.8 Å²	64.8	49%	0.492	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-51.6	173.1	-78.6	-15.4	0	0	0	111.5	E208 E209 L214 D215 N217	E208-D212 WeakPolarHBondContact O-CB 3.4Å; E208-D212 PolarHBondContact O-N 3.35Å; E209-D212 PolarHBondContact O-N 2.89Å; D212-L214 PolarHBondContact O-N 3.07Å; D212-D215 PolarHBondContact O-N 3.14Å; D212-N217 PolarHBondContact OD1-ND2 3.14Å
213	M	88.1	Confident	86	Confident	47 Å²	47	66.3 Å²	66.3	23%	0.232	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-31.5	-176.9	-77.3	-168.1	-74	0	0	113.4	E209 M210 T268	E209-M213 HydrophobicContact CG-CE 3.79Å; E209-M213 WeakPolarHBondContact O-CB 3.25Å; E209-M213 WeakPolarHBondContact O-CG 3.33Å; E209-M213 PolarHBondContact O-N 3.5Å; M210-M213 HydrophobicContact CE-CE 3.27Å; M210-M213 HydrophobicContact SD-CE 3.53Å; M210-M213 VanDerWaalsContact SD-CE 3.53Å; M213-T268 HydrophobicContact CE-CG2 4.34Å
214	L	88.9	Confident	85.9	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	9.8	-179.1	-67	170.5	0	0	0	113.6	M210 D212 L216 R234 I237 A238 A265 T268	M210-L214 WeakPolarHBondContact O-CB 3.39Å; M210-L214 PolarHBondContact O-N 3.48Å; M210-L214 VanDerWaalsContact O-N 3.13Å; D212-L214 PolarHBondContact O-N 3.07Å; L214-L216 VanDerWaalsContact C-N 3.3Å; L214-L216 HydrophobicContact CB-CD1 4.06Å; L214-L216 HydrophobicContact CB-CG 3.93Å; L214-L216 PolarHBondContact O-N 3.41Å; L214-R234 WeakPolarHBondContact O-CD 3.34Å; L214-R234 PolarHBondContact O-NH1 3.41Å; L214-I237 HydrophobicContact CD1-CB 4.38Å; L214-I237 HydrophobicContact CD1-CG2 4.14Å; L214-A238 HydrophobicContact CD1-CB 3.64Å; L214-A265 HydrophobicContact CD2-CB 4.26Å; L214-T268 HydrophobicContact CD1-CG2 4.26Å; L214-T268 HydrophobicContact CG-CG2 4.33Å
215	D	85.6	Confident	85.9	Confident	68 Å²	68	63.9 Å²	63.9	36%	0.364	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	44.1	-178.1	-53.6	-45.8	0	0	0	113.1	A211 D212 R234 K264	A211-D215 PolarHBondContact O-N 3.11Å; A211-D215 VanDerWaalsContact O-N 3.14Å; D212-D215 PolarHBondContact O-N 3.14Å; D215-R234 PolarHBondContact O-NH1 2.84Å; D215-K264 IonicContact OD1-NZ 2.66Å; D215-K264 PolarHBondContact OD1-NZ 2.95Å; D215-K264 WeakPolarHBondContact OD2-CD 3.4Å; D215-K264 IonicContact OD2-NZ 2.91Å; D215-K264 PolarHBondContact OD2-NZ 3.3Å
216	L	86.5	Confident	85.8	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	32%	0.322	C	S	.	.			trans	-95	-9.1	-177.9	-65.2	178.2	0	0	0	113.8	F198 A211 L214 K218 L219 M220 R234 A238	F198-L216 HydrophobicContact CE2-CD1 4.26Å; F198-L216 HydrophobicContact CZ-CD1 3.74Å; A211-L216 HydrophobicContact CB-CB 4.29Å; A211-L216 PolarHBondContact O-N 3.42Å; L214-L216 VanDerWaalsContact C-N 3.3Å; L214-L216 HydrophobicContact CB-CD1 4.06Å; L214-L216 HydrophobicContact CB-CG 3.93Å; L214-L216 PolarHBondContact O-N 3.41Å; L216-K218 PolarHBondContact O-N 3.16Å; L216-K218 VanDerWaalsContact O-N 3.11Å; L216-L219 HydrophobicContact CD2-CD1 3.75Å; L216-L219 WeakPolarHBondContact O-CA 3.3Å; L216-L219 WeakPolarHBondContact O-CB 3.45Å; L216-L219 PolarHBondContact O-N 3.08Å; L216-M220 PolarHBondContact O-N 3.3Å; L216-R234 HydrophobicContact CD2-CB 3.75Å; L216-R234 HydrophobicContact CG-CB 4.49Å; L216-A238 HydrophobicContact CD1-CB 3.58Å
217	N	85.2	Confident	85.6	Confident	81 Å²	81	62.2 Å²	62.2	43%	0.433	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-53.7	-37.7	-176.4	-64.2	-22	0	0	0	113.8	A211 D212 L219	A211-N217 WeakPolarHBondContact CB-OD1 3.46Å; D212-N217 PolarHBondContact OD1-ND2 3.14Å; N217-L219 PolarHBondContact O-N 3.44Å
218	K	82.9	Confident	85.3	Confident	193 Å²	193	63.9 Å²	63.9	84%	0.839	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-71.4	-10.6	178.4	-61.1	-175.9	-178.6	-179	0	113.8	L216	L216-K218 PolarHBondContact O-N 3.16Å; L216-K218 VanDerWaalsContact O-N 3.11Å
219	L	83	Confident	84.8	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-110.8	-3.4	-171.8	-55	172.4	0	0	0	112.9	L216 N217 D221 R222 L227 E231	L216-L219 HydrophobicContact CD2-CD1 3.75Å; L216-L219 WeakPolarHBondContact O-CA 3.3Å; L216-L219 WeakPolarHBondContact O-CB 3.45Å; L216-L219 PolarHBondContact O-N 3.08Å; N217-L219 PolarHBondContact O-N 3.44Å; L219-D221 PolarHBondContact O-N 2.94Å; L219-R222 PolarHBondContact O-N 3.4Å; L219-R222 VanDerWaalsContact O-N 3.12Å; L219-L227 HydrophobicContact CB-CD2 4.45Å; L219-L227 HydrophobicContact CD2-CD2 4.41Å; L219-E231 HydrophobicContact CD1-CB 3.89Å; L219-E231 HydrophobicContact CD1-CG 3.64Å; L219-E231 HydrophobicContact CD2-CG 4.24Å; L219-E231 VanDerWaalsContact CD2-OE1 3.3Å; L219-E231 WeakPolarHBondContact CD2-OE1 3.28Å
220	M	82.3	Confident	84.5	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.089	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.7	-173.1	-68.7	-61.7	-75.2	0	0	113.2	V193 V194 R195 F198 M207 L216	V193-M220 VanDerWaalsContact CG1-O 3.3Å; V193-M220 WeakPolarHBondContact CG1-O 3.36Å; V194-M220 HydrophobicContact CG1-SD 4.14Å; R195-M220 HydrophobicContact CB-CE 4.1Å; R195-M220 WeakPolarHBondContact CB-O 3.47Å; R195-M220 HydrophobicContact CG-CE 4.12Å; R195-M220 PolarHBondContact N-O 3.37Å; F198-M220 HydrophobicContact CD2-CE 4.27Å; F198-M220 HydrophobicContact CD2-SD 4.12Å; F198-M220 HydrophobicContact CE2-SD 4.22Å; M207-M220 HydrophobicContact SD-CE 4.04Å; L216-M220 PolarHBondContact O-N 3.3Å
221	D	84.9	Confident	84.4	Confident	120 Å²	120	55.2 Å²	55.2	64%	0.642	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	1.7	-176	-49.7	-37.5	0	0	0	112.9	R195 L219	R195-D221 IonicContact CZ-OD1 3.12Å; R195-D221 IonicContact NE-OD1 3.67Å; R195-D221 PolarHBondContact NE-OD1 3.44Å; R195-D221 IonicContact NH2-OD1 3.86Å; R195-D221 PolarHBondContact NH2-OD1 3.21Å; L219-D221 PolarHBondContact O-N 2.94Å
222	R	84.6	Confident	84.4	Confident	122 Å²	122	55.3 Å²	55.3	46%	0.46	30%	0.295	S	S	.	.	S	Bend	trans	-85.8	155.4	177.3	-68.5	-170.2	176.5	-179	-1.7	112	V194 L219 L227 E231	V194-R222 WeakPolarHBondContact CG2-O 3.08Å; V194-R222 PolarHBondContact N-O 3.24Å; V194-R222 VanDerWaalsContact N-O 3.09Å; L219-R222 PolarHBondContact O-N 3.4Å; L219-R222 VanDerWaalsContact O-N 3.12Å; R222-L227 HydrophobicContact CB-CD2 4.15Å; R222-E231 IonicContact NH1-OE1 3.7Å
223	N	86.6	Confident	84.4	Confident	72 Å²	72	51 Å²	51	39%	0.385	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-79	148.1	169.8	-62.1	-57.3	0	0	0	111.1	S225 D226	N223-S225 PolarHBondContact O-N 3.45Å; N223-D226 WeakPolarHBondContact CB-OD2 3.33Å; N223-D226 PolarHBondContact ND2-OD2 3.14Å; N223-D226 PolarHBondContact O-N 3.41Å; N223-D226 VanDerWaalsContact O-N 3.09Å
224	I	85.5	Confident	84.5	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62.5	-30.9	180	-65.1	164.3	0	0	0	112.5	P187 G192 V194 M197 D226 L227 L232 F235	P187-I224 HydrophobicContact CB-CG2 4.31Å; P187-I224 HydrophobicContact CG-CG2 4.3Å; G192-I224 WeakPolarHBondContact O-CG1 3.35Å; G192-I224 PolarHBondContact O-N 3.13Å; G192-I224 VanDerWaalsContact O-N 3.16Å; V194-I224 HydrophobicContact CG2-CG1 4.17Å; M197-I224 HydrophobicContact CB-CD1 4.43Å; M197-I224 HydrophobicContact CE-CD1 4.49Å; M197-I224 HydrophobicContact CG-CD1 3.67Å; I224-D226 PolarHBondContact O-N 3.11Å; I224-L227 PolarHBondContact O-N 3.13Å; I224-L232 HydrophobicContact CG2-CD1 3.91Å; I224-F235 HydrophobicContact CD1-CE1 3.84Å; I224-F235 HydrophobicContact CD1-CZ 3.58Å; I224-F235 HydrophobicContact CG1-CE1 3.96Å; I224-F235 HydrophobicContact CG1-CZ 3.86Å; I224-F235 HydrophobicContact CG2-CE1 4.28Å
225	S	83.9	Confident	84.6	Confident	86 Å²	86	49.8 Å²	49.8	60%	0.601	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-64.4	-25.9	176.5	51.6	0	0	0	0	113.8	N223	N223-S225 PolarHBondContact O-N 3.45Å
226	D	83.1	Confident	84.9	Confident	100 Å²	100	46.9 Å²	46.9	54%	0.535	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-96.9	-6.2	-170.4	-51.5	-18.4	0	0	0	111.3	N223 I224	N223-D226 WeakPolarHBondContact CB-OD2 3.33Å; N223-D226 PolarHBondContact ND2-OD2 3.14Å; N223-D226 PolarHBondContact O-N 3.41Å; N223-D226 VanDerWaalsContact O-N 3.09Å; I224-D226 PolarHBondContact O-N 3.11Å
227	L	80.6	Confident	85.2	Confident	18 Å²	18	46.9 Å²	46.9	9%	0.094	25%	0.25	C	S	.	.			trans	-71.8	138.2	179.1	-60.2	-178.6	0	0	0	111.2	V194 L219 R222 I224 E231 L232 F235	V194-L227 HydrophobicContact CG2-CD1 3.87Å; V194-L227 HydrophobicContact CG2-CD2 4.47Å; L219-L227 HydrophobicContact CB-CD2 4.45Å; L219-L227 HydrophobicContact CD2-CD2 4.41Å; R222-L227 HydrophobicContact CB-CD2 4.15Å; I224-L227 PolarHBondContact O-N 3.13Å; L227-E231 HydrophobicContact CB-CB 4.04Å; L227-E231 HydrophobicContact CD2-CB 4.25Å; L227-L232 HydrophobicContact CB-CB 4.3Å; L227-L232 HydrophobicContact CD1-CD1 4.43Å; L227-F235 HydrophobicContact CD1-CB 4.37Å; L227-F235 HydrophobicContact CD1-CG 4.45Å
228	S	77.6	Confident	85.5	Confident	60 Å²	60	43 Å²	43	42%	0.42	23%	0.229	S	C	.	.			trans	-67.4	161.3	167.9	65.5	0	0	0	0	111.4	G230 E231 L232	S228-G230 VanDerWaalsContact C-N 3.27Å; S228-G230 PolarHBondContact O-N 3.23Å; S228-E231 WeakPolarHBondContact CB-OE2 3.31Å; S228-E231 PolarHBondContact N-OE2 2.96Å; S228-E231 PolarHBondContact O-N 3.42Å; S228-E231 WeakPolarHBondContact OG-CB 3.44Å; S228-E231 WeakPolarHBondContact OG-CG 3.27Å; S228-E231 PolarHBondContact OG-N 3.1Å; S228-E231 PolarHBondContact OG-OE2 3.49Å; S228-L232 VanDerWaalsContact O-CB 3.31Å; S228-L232 WeakPolarHBondContact O-CB 3.35Å; S228-L232 PolarHBondContact O-N 3.22Å
229	G	78	Confident	85.9	Confident	27 Å²	27	35.3 Å²	35.3	28%	0.278	20%	0.197	S	C	.	.	H	α-helix	trans	-55.5	-38.1	-179.7	0	0	0	0	0	114	Q233	G229-Q233 VanDerWaalsContact O-CB 3.26Å; G229-Q233 WeakPolarHBondContact O-CB 3.19Å; G229-Q233 PolarHBondContact O-N 3.18Å
230	G	81.7	Confident	86.3	Confident	9 Å²	9	35.1 Å²	35.1	9%	0.093	20%	0.196	C	C	.	.	H	α-helix	trans	-72.5	-35.3	176	0	0	0	0	0	113.6	S228 R234 L257	S228-G230 VanDerWaalsContact C-N 3.27Å; S228-G230 PolarHBondContact O-N 3.23Å; G230-R234 WeakPolarHBondContact O-CG 3.4Å; G230-R234 PolarHBondContact O-N 2.84Å; G230-R234 VanDerWaalsContact O-N 3.13Å; G230-R234 PolarHBondContact O-NE 3.02Å; G230-L257 WeakPolarHBondContact O-CD2 3.44Å
231	E	86.6	Confident	86.7	Confident	32 Å²	32	34.3 Å²	34.3	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-67.9	-44.4	173.1	-69.9	167	154.9	0	0	111.2	L219 R222 L227 S228 Q233 R234 F235	L219-E231 HydrophobicContact CD1-CB 3.89Å; L219-E231 HydrophobicContact CD1-CG 3.64Å; L219-E231 HydrophobicContact CD2-CG 4.24Å; L219-E231 VanDerWaalsContact CD2-OE1 3.3Å; L219-E231 WeakPolarHBondContact CD2-OE1 3.28Å; R222-E231 IonicContact NH1-OE1 3.7Å; L227-E231 HydrophobicContact CB-CB 4.04Å; L227-E231 HydrophobicContact CD2-CB 4.25Å; S228-E231 WeakPolarHBondContact CB-OE2 3.31Å; S228-E231 PolarHBondContact N-OE2 2.96Å; S228-E231 PolarHBondContact O-N 3.42Å; S228-E231 WeakPolarHBondContact OG-CB 3.44Å; S228-E231 WeakPolarHBondContact OG-CG 3.27Å; S228-E231 PolarHBondContact OG-N 3.1Å; S228-E231 PolarHBondContact OG-OE2 3.49Å; E231-Q233 VanDerWaalsContact C-N 3.31Å; E231-Q233 PolarHBondContact O-N 2.81Å; E231-R234 PolarHBondContact O-N 3.17Å; E231-F235 WeakPolarHBondContact O-CB 3.3Å; E231-F235 PolarHBondContact O-N 3.15Å
232	L	87.9	Confident	87	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-38.3	177.1	-174	63.7	0	0	0	111.9	V183 I186 P187 I224 L227 S228 F235 A236	V183-L232 HydrophobicContact CB-CD2 3.86Å; V183-L232 HydrophobicContact CB-CG 4.12Å; V183-L232 HydrophobicContact CG2-CD2 4.24Å; V183-L232 VanDerWaalsContact O-CD2 3.32Å; V183-L232 WeakPolarHBondContact O-CD2 3.46Å; I186-L232 HydrophobicContact CB-CD1 4.27Å; I186-L232 HydrophobicContact CG2-CD1 4.12Å; P187-L232 HydrophobicContact CG-CD1 4.17Å; P187-L232 HydrophobicContact CG-CD2 3.78Å; I224-L232 HydrophobicContact CG2-CD1 3.91Å; L227-L232 HydrophobicContact CB-CB 4.3Å; L227-L232 HydrophobicContact CD1-CD1 4.43Å; S228-L232 VanDerWaalsContact O-CB 3.31Å; S228-L232 WeakPolarHBondContact O-CB 3.35Å; S228-L232 PolarHBondContact O-N 3.22Å; L232-F235 HydrophobicContact CD1-CD1 4.21Å; L232-A236 WeakPolarHBondContact O-CB 3.35Å; L232-A236 PolarHBondContact O-N 3.15Å
233	Q	89.4	Confident	87.3	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-46.5	174.7	-177	78.5	3.4	0	0	111.6	K179 V183 G229 E231 F235 A236 I237 E252 P253 S255 L257	K179-Q233 VanDerWaalsContact CE-OE1 3.23Å; K179-Q233 VanDerWaalsContact NZ-OE1 3.08Å; V183-Q233 HydrophobicContact CG1-CB 4.49Å; G229-Q233 VanDerWaalsContact O-CB 3.26Å; G229-Q233 WeakPolarHBondContact O-CB 3.19Å; G229-Q233 PolarHBondContact O-N 3.18Å; E231-Q233 VanDerWaalsContact C-N 3.31Å; E231-Q233 PolarHBondContact O-N 2.81Å; Q233-F235 VanDerWaalsContact C-N 3.33Å; Q233-F235 PolarHBondContact O-N 3.23Å; Q233-A236 PolarHBondContact O-N 2.94Å; Q233-I237 HydrophobicContact CG-CD1 4.29Å; Q233-I237 WeakPolarHBondContact O-CG1 3.3Å; Q233-I237 PolarHBondContact O-N 3.42Å; Q233-E252 PolarHBondContact NE2-O 3.13Å; Q233-P253 PolarHBondContact NE2-O 2.69Å; Q233-S255 WeakPolarHBondContact CG-O 3.34Å; Q233-L257 HydrophobicContact CB-CD2 4.03Å; Q233-L257 HydrophobicContact CG-CD1 4.25Å; Q233-L257 HydrophobicContact CG-CD2 3.97Å; Q233-L257 HydrophobicContact CG-CG 4Å
234	R	90.5	Very high	87.4	Confident	20 Å²	20	28.6 Å²	28.6	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-42.5	176.2	-70.8	-178.1	-67.3	148.1	-7.4	111.4	L214 D215 L216 G230 E231 A236 I237 A238 L257	L214-R234 WeakPolarHBondContact O-CD 3.34Å; L214-R234 PolarHBondContact O-NH1 3.41Å; D215-R234 PolarHBondContact O-NH1 2.84Å; L216-R234 HydrophobicContact CD2-CB 3.75Å; L216-R234 HydrophobicContact CG-CB 4.49Å; G230-R234 WeakPolarHBondContact O-CG 3.4Å; G230-R234 PolarHBondContact O-N 2.84Å; G230-R234 VanDerWaalsContact O-N 3.13Å; G230-R234 PolarHBondContact O-NE 3.02Å; E231-R234 PolarHBondContact O-N 3.17Å; R234-A236 PolarHBondContact O-N 3.5Å; R234-I237 PolarHBondContact O-N 2.83Å; R234-A238 WeakPolarHBondContact O-CB 3.36Å; R234-A238 PolarHBondContact O-N 3.03Å; R234-L257 HydrophobicContact CG-CD2 3.68Å
235	F	90.8	Very high	87.6	Confident	3 Å²	3	28.9 Å²	28.9	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-45.4	172.5	171.1	-109.1	0	0	0	112.3	V194 M197 F198 I224 L227 E231 L232 Q233 I237 A238 I239	V194-F235 HydrophobicContact CB-CE2 4.34Å; V194-F235 HydrophobicContact CG1-CD2 3.85Å; V194-F235 HydrophobicContact CG1-CE2 3.87Å; V194-F235 HydrophobicContact CG2-CD2 4.35Å; V194-F235 HydrophobicContact CG2-CE2 4.27Å; M197-F235 HydrophobicContact CB-CE2 4.34Å; M197-F235 HydrophobicContact CB-CZ 4.01Å; M197-F235 HydrophobicContact CG-CZ 4.49Å; F198-F235 HydrophobicContact CD2-CD2 4.41Å; F198-F235 HydrophobicContact CD2-CE2 4.19Å; F198-F235 AromaticContact CE2-CD2 3.74Å; F198-F235 HydrophobicContact CE2-CD2 3.74Å; F198-F235 AromaticContact CE2-CE2 3.98Å; F198-F235 HydrophobicContact CE2-CE2 3.98Å; F198-F235 HydrophobicContact CZ-CD2 4.27Å; I224-F235 HydrophobicContact CD1-CE1 3.84Å; I224-F235 HydrophobicContact CD1-CZ 3.58Å; I224-F235 HydrophobicContact CG1-CE1 3.96Å; I224-F235 HydrophobicContact CG1-CZ 3.86Å; I224-F235 HydrophobicContact CG2-CE1 4.28Å; L227-F235 HydrophobicContact CD1-CB 4.37Å; L227-F235 HydrophobicContact CD1-CG 4.45Å; E231-F235 WeakPolarHBondContact O-CB 3.3Å; E231-F235 PolarHBondContact O-N 3.15Å; L232-F235 HydrophobicContact CD1-CD1 4.21Å; Q233-F235 VanDerWaalsContact C-N 3.33Å; Q233-F235 PolarHBondContact O-N 3.23Å; F235-I237 VanDerWaalsContact C-N 3.35Å; F235-I237 PolarHBondContact O-N 3.38Å; F235-A238 PolarHBondContact O-N 3.1Å; F235-I239 HydrophobicContact CD1-CD1 4.02Å; F235-I239 HydrophobicContact CD2-CD1 4.12Å; F235-I239 HydrophobicContact CD2-CG1 4.39Å; F235-I239 HydrophobicContact CE1-CD1 3.4Å; F235-I239 VanDerWaalsContact CE1-CD1 3.4Å; F235-I239 HydrophobicContact CE2-CD1 3.51Å; F235-I239 HydrophobicContact CE2-CG1 4.05Å; F235-I239 HydrophobicContact CG-CD1 4.36Å; F235-I239 HydrophobicContact CZ-CD1 3.15Å; F235-I239 HydrophobicContact CZ-CG1 4.18Å; F235-I239 PolarHBondContact O-N 3.12Å
236	A	91.1	Very high	87.9	Confident	8 Å²	8	28.1 Å²	28.1	7%	0.066	15%	0.149	C	C	.	.	H	α-helix	trans	-62.8	-39.9	178.1	0	0	0	0	0	112.4	K179 I186 L232 Q233 R234 V240	K179-A236 HydrophobicContact CG-CB 4.27Å; I186-A236 HydrophobicContact CD1-CB 3.73Å; L232-A236 WeakPolarHBondContact O-CB 3.35Å; L232-A236 PolarHBondContact O-N 3.15Å; Q233-A236 PolarHBondContact O-N 2.94Å; R234-A236 PolarHBondContact O-N 3.5Å; A236-V240 WeakPolarHBondContact O-CG2 3.24Å; A236-V240 PolarHBondContact O-N 2.85Å
237	I	92.3	Very high	88.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-46.6	175.4	-64.8	166.5	0	0	0	110	L214 Q233 R234 F235 I239 V240 C241 F250 P253 L257 A265 I269	L214-I237 HydrophobicContact CD1-CB 4.38Å; L214-I237 HydrophobicContact CD1-CG2 4.14Å; Q233-I237 HydrophobicContact CG-CD1 4.29Å; Q233-I237 WeakPolarHBondContact O-CG1 3.3Å; Q233-I237 PolarHBondContact O-N 3.42Å; R234-I237 PolarHBondContact O-N 2.83Å; F235-I237 VanDerWaalsContact C-N 3.35Å; F235-I237 PolarHBondContact O-N 3.38Å; I237-I239 PolarHBondContact O-N 3.47Å; I237-V240 PolarHBondContact O-N 2.94Å; I237-V240 VanDerWaalsContact O-N 3.12Å; I237-C241 PolarHBondContact O-N 3.04Å; I237-C241 PolarHBondContact O-SG 2.94Å; I237-F250 HydrophobicContact CG2-CE1 4.3Å; I237-P253 HydrophobicContact CD1-CB 3.99Å; I237-P253 HydrophobicContact CG1-CB 4.35Å; I237-L257 HydrophobicContact CD1-CD1 4.29Å; I237-A265 HydrophobicContact CD1-CB 3.9Å; I237-I269 HydrophobicContact CG2-CG1 4.29Å
238	A	92.1	Very high	89	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-44.4	179.5	0	0	0	0	0	112.2	F198 L214 L216 R234 F235 V240 C241 I242	F198-A238 HydrophobicContact CE1-CB 3.65Å; F198-A238 HydrophobicContact CZ-CB 3.47Å; F198-A238 VanDerWaalsContact CZ-CB 3.47Å; L214-A238 HydrophobicContact CD1-CB 3.64Å; L216-A238 HydrophobicContact CD1-CB 3.58Å; R234-A238 WeakPolarHBondContact O-CB 3.36Å; R234-A238 PolarHBondContact O-N 3.03Å; F235-A238 PolarHBondContact O-N 3.1Å; A238-V240 PolarHBondContact O-N 2.78Å; A238-C241 PolarHBondContact O-N 3.26Å; A238-C241 VanDerWaalsContact O-N 3.07Å; A238-I242 WeakPolarHBondContact O-CG2 3.42Å; A238-I242 PolarHBondContact O-N 3.12Å
239	I	90.8	Very high	89.8	Confident	31 Å²	31	20.1 Å²	20.1	16%	0.159	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-35.9	176.5	-79.9	179.3	0	0	0	112.6	F235 I237 I242 Q243	F235-I239 HydrophobicContact CD1-CD1 4.02Å; F235-I239 HydrophobicContact CD2-CD1 4.12Å; F235-I239 HydrophobicContact CD2-CG1 4.39Å; F235-I239 HydrophobicContact CE1-CD1 3.4Å; F235-I239 VanDerWaalsContact CE1-CD1 3.4Å; F235-I239 HydrophobicContact CE2-CD1 3.51Å; F235-I239 HydrophobicContact CE2-CG1 4.05Å; F235-I239 HydrophobicContact CG-CD1 4.36Å; F235-I239 HydrophobicContact CZ-CD1 3.15Å; F235-I239 HydrophobicContact CZ-CG1 4.18Å; F235-I239 PolarHBondContact O-N 3.12Å; I237-I239 PolarHBondContact O-N 3.47Å; I239-I242 HydrophobicContact CG1-CD1 4.46Å; I239-I242 WeakPolarHBondContact O-CG1 3.49Å; I239-Q243 WeakPolarHBondContact O-CG 3.47Å; I239-Q243 PolarHBondContact O-NE2 2.78Å
240	V	91.7	Very high	90.5	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.03	9%	0.088	C	C	.	.	H	α-helix	trans	-73.6	-37.2	177.7	171.9	0	0	0	0	110.6	V177 K179 A236 I237 A238 Y248 F250	V177-V240 HydrophobicContact CG1-CB 4.15Å; V177-V240 HydrophobicContact CG1-CG1 3.82Å; V177-V240 HydrophobicContact CG1-CG2 3.86Å; K179-V240 HydrophobicContact CB-CG2 4.05Å; A236-V240 WeakPolarHBondContact O-CG2 3.24Å; A236-V240 PolarHBondContact O-N 2.85Å; I237-V240 PolarHBondContact O-N 2.94Å; I237-V240 VanDerWaalsContact O-N 3.12Å; A238-V240 PolarHBondContact O-N 2.78Å; V240-Y248 HydrophobicContact CG1-CD1 4.08Å; V240-F250 HydrophobicContact CB-CE1 4.02Å; V240-F250 HydrophobicContact CB-CZ 4.49Å; V240-F250 HydrophobicContact CG1-CD1 4.42Å; V240-F250 HydrophobicContact CG1-CE1 3.61Å; V240-F250 HydrophobicContact CG1-CZ 3.69Å
241	C	90.8	Very high	90.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-74	-28	-179.6	-63.5	0	0	0	0	114.3	L204 M210 I237 A238 M272	L204-C241 WeakPolarHBondContact CD1-O 3.19Å; M210-C241 HydrophobicContact CG-CB 4.26Å; M210-C241 HydrophobicContact SD-CB 3.75Å; I237-C241 PolarHBondContact O-N 3.04Å; I237-C241 PolarHBondContact O-SG 2.94Å; A238-C241 PolarHBondContact O-N 3.26Å; A238-C241 VanDerWaalsContact O-N 3.07Å; C241-M272 HydrophobicContact CB-CE 4.39Å; C241-M272 HydrophobicContact CB-CG 4.02Å; C241-M272 HydrophobicContact CB-SD 3.93Å; C241-M272 WeakPolarHBondContact O-CE 3.23Å
242	I	91	Very high	91	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-80	-18.4	177.6	64.7	-178.4	0	0	0	113.3	F198 K201 D202 D203 L204 M210 A238 I239	F198-I242 HydrophobicContact CD1-CD1 3.49Å; F198-I242 VanDerWaalsContact CD1-CD1 3.49Å; F198-I242 HydrophobicContact CD1-CG2 4.25Å; F198-I242 HydrophobicContact CE1-CD1 4.01Å; F198-I242 HydrophobicContact CE1-CG2 4.19Å; F198-I242 HydrophobicContact CG-CD1 4.39Å; K201-I242 HydrophobicContact CB-CD1 3.95Å; K201-I242 HydrophobicContact CB-CG1 4.5Å; D202-I242 HydrophobicContact CB-CB 4.34Å; D202-I242 HydrophobicContact CB-CD1 4.38Å; D203-I242 PolarHBondContact N-O 3.42Å; L204-I242 PolarHBondContact N-O 3.37Å; M210-I242 HydrophobicContact CB-CG2 4.22Å; M210-I242 HydrophobicContact CG-CG2 4.02Å; A238-I242 WeakPolarHBondContact O-CG2 3.42Å; A238-I242 PolarHBondContact O-N 3.12Å; I239-I242 HydrophobicContact CG1-CD1 4.46Å; I239-I242 WeakPolarHBondContact O-CG1 3.49Å
243	Q	90.8	Very high	91.1	Very high	18 Å²	18	18.3 Å²	18.3	8%	0.084	8%	0.083	C	C	.	.	S	Bend	trans	-83.4	139.2	-179	-78.3	176.2	66.1	0	0	111.2	V177 K201 I239 A245 Y248	V177-Q243 HydrophobicContact CG2-CB 4.32Å; K201-Q243 HydrophobicContact CB-CG 4.3Å; K201-Q243 HydrophobicContact CD-CG 4.48Å; K201-Q243 VanDerWaalsContact O-CG 3.27Å; K201-Q243 WeakPolarHBondContact O-CG 3.23Å; I239-Q243 WeakPolarHBondContact O-CG 3.47Å; I239-Q243 PolarHBondContact O-NE2 2.78Å; Q243-A245 PolarHBondContact O-N 3.49Å; Q243-Y248 PolarHBondContact O-OH 2.72Å
244	R	88.9	Confident	91	Very high	177 Å²	177	18.5 Å²	18.5	67%	0.668	9%	0.085	S	C	*	.			trans	-78.7	112.2	173.8	-176.4	176	176.5	178.2	-1.4	109.1	R175 D203 L204	R175-R244 WeakPolarHBondContact CD-O 3.27Å; R175-R244 PolarHBondContact NE-O 3.38Å; R175-R244 PolarHBondContact NH1-O 2.97Å; D203-R244 HydrophobicContact CB-CB 3.72Å; D203-R244 PolarHBondContact OD2-N 2.77Å; L204-R244 HydrophobicContact CD2-CB 4.03Å; L204-R244 HydrophobicContact CD2-CG 4.26Å; L204-R244 HydrophobicContact CG-CB 4.3Å
245	A	89.2	Confident	90.6	Very high	7 Å²	7	18.8 Å²	18.8	6%	0.058	9%	0.09	C	C	.	.			trans	-136.8	154.6	177.3	0	0	0	0	0	111.3	R175 V177 Q243 Y248	R175-A245 WeakPolarHBondContact O-CB 3.41Å; V177-A245 HydrophobicContact CB-CB 4Å; V177-A245 HydrophobicContact CG2-CB 3.55Å; Q243-A245 PolarHBondContact O-N 3.49Å; A245-Y248 HydrophobicContact CB-CD1 4.24Å; A245-Y248 HydrophobicContact CB-CE1 3.81Å; A245-Y248 HydrophobicContact CB-CE2 4.18Å; A245-Y248 PolarHBondContact N-OH 2.8Å; A245-Y248 VanDerWaalsContact N-OH 3.07Å; A245-Y248 WeakPolarHBondContact O-CE2 3.44Å; A245-Y248 VanDerWaalsContact O-CZ 3.27Å; A245-Y248 PolarHBondContact O-OH 3.18Å
246	D	91	Very high	90	Very high	69 Å²	69	22 Å²	22	37%	0.369	10%	0.102	S	C	.	.	S	Bend	trans	-89.4	-27.3	171.5	-53.9	-68.5	0	0	0	110.9	L174 R175 N277 F278	L174-D246 HydrophobicContact CB-CB 4.14Å; L174-D246 HydrophobicContact CD2-CB 3.77Å; L174-D246 HydrophobicContact CG-CB 4.46Å; R175-D246 PolarHBondContact N-OD2 3.41Å; R175-D246 PolarHBondContact O-N 3.11Å; D246-N277 WeakPolarHBondContact O-CA 3.24Å; D246-F278 PolarHBondContact O-N 3.11Å
247	I	92.8	Very high	89.7	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.8	-179.4	-54.1	153.9	0	0	0	109.3	Y165 L169 L174 R175 A176 V177 M249 F278	Y165-I247 HydrophobicContact CE2-CD1 4.11Å; Y165-I247 HydrophobicContact CE2-CG1 4.33Å; Y165-I247 VanDerWaalsContact OH-CD1 3.22Å; Y165-I247 WeakPolarHBondContact OH-CD1 3.31Å; L169-I247 HydrophobicContact CD1-CD1 3.98Å; L174-I247 HydrophobicContact CB-CD1 3.76Å; L174-I247 HydrophobicContact CB-CG1 4.44Å; L174-I247 HydrophobicContact CD1-CD1 4Å; L174-I247 HydrophobicContact CD1-CG1 4.44Å; R175-I247 PolarHBondContact O-N 2.95Å; A176-I247 WeakPolarHBondContact CA-O 3.42Å; A176-I247 HydrophobicContact CB-CB 4.1Å; A176-I247 HydrophobicContact CB-CD1 4.22Å; V177-I247 PolarHBondContact N-O 3.26Å; I247-M249 HydrophobicContact CG2-CE 3.36Å; I247-M249 HydrophobicContact CG2-CG 4.01Å; I247-F278 CarbonylContact C-O 3.6Å; I247-F278 WeakPolarHBondContact CA-O 3.3Å; I247-F278 HydrophobicContact CG1-CB 4.18Å; I247-F278 HydrophobicContact CG1-CD2 4.11Å; I247-F278 HydrophobicContact CG2-CB 4.3Å
248	Y	94.4	Very high	89.2	Confident	10 Å²	10	21.9 Å²	21.9	4%	0.039	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.8	174.9	-61.6	-90.4	0	0	0	109.8	V240 Q243 A245 M272 N277 F278 S279 I280	V240-Y248 HydrophobicContact CG1-CD1 4.08Å; Q243-Y248 PolarHBondContact O-OH 2.72Å; A245-Y248 HydrophobicContact CB-CD1 4.24Å; A245-Y248 HydrophobicContact CB-CE1 3.81Å; A245-Y248 HydrophobicContact CB-CE2 4.18Å; A245-Y248 PolarHBondContact N-OH 2.8Å; A245-Y248 VanDerWaalsContact N-OH 3.07Å; A245-Y248 WeakPolarHBondContact O-CE2 3.44Å; A245-Y248 VanDerWaalsContact O-CZ 3.27Å; A245-Y248 PolarHBondContact O-OH 3.18Å; Y248-M272 HydrophobicContact CE1-CE 4.05Å; Y248-N277 HydrophobicContact CD2-CB 4.31Å; Y248-N277 HydrophobicContact CE2-CB 4.13Å; Y248-F278 PolarHBondContact N-O 3.38Å; Y248-S279 WeakPolarHBondContact O-CA 3.22Å; Y248-I280 PolarHBondContact O-N 3.17Å
249	M	94.6	Very high	88.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125	178.6	-57.6	-172.2	-175.8	0	0	111	L130 L133 V177 I178 K179 I247 I280	L130-M249 HydrophobicContact CB-SD 4.28Å; L130-M249 HydrophobicContact CD2-CB 4.34Å; L130-M249 HydrophobicContact CD2-CG 4.35Å; L130-M249 HydrophobicContact CD2-SD 3.91Å; L133-M249 HydrophobicContact CB-CE 3.68Å; V177-M249 PolarHBondContact O-N 2.83Å; I178-M249 WeakPolarHBondContact CA-O 3.38Å; I178-M249 HydrophobicContact CB-CB 4.38Å; I178-M249 HydrophobicContact CD1-SD 4.34Å; I178-M249 HydrophobicContact CG1-CB 4.14Å; I178-M249 HydrophobicContact CG1-CG 4.45Å; I178-M249 HydrophobicContact CG1-SD 4.08Å; I178-M249 HydrophobicContact CG2-CB 4.19Å; K179-M249 PolarHBondContact N-O 3.37Å; I247-M249 HydrophobicContact CG2-CE 3.36Å; I247-M249 HydrophobicContact CG2-CG 4.01Å; M249-I280 WeakPolarHBondContact CA-O 3.26Å; M249-I280 HydrophobicContact CE-CD1 4.18Å; M249-I280 HydrophobicContact CG-CB 4.48Å
250	F	93.3	Very high	88.3	Confident	1 Å²	1	24.3 Å²	24.3	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	108.1	177.9	-60.4	-87.2	0	0	0	110.2	K179 I237 V240 P253 I269 I280 V281 V282	K179-F250 HydrophobicContact CB-CD1 4.22Å; I237-F250 HydrophobicContact CG2-CE1 4.3Å; V240-F250 HydrophobicContact CB-CE1 4.02Å; V240-F250 HydrophobicContact CB-CZ 4.49Å; V240-F250 HydrophobicContact CG1-CD1 4.42Å; V240-F250 HydrophobicContact CG1-CE1 3.61Å; V240-F250 HydrophobicContact CG1-CZ 3.69Å; F250-P253 HydrophobicContact CB-CB 4.27Å; F250-P253 HydrophobicContact CB-CG 3.9Å; F250-I269 HydrophobicContact CD1-CD1 4.03Å; F250-I269 HydrophobicContact CD1-CG1 4.2Å; F250-I269 HydrophobicContact CD2-CD1 4.44Å; F250-I269 HydrophobicContact CD2-CG1 4.4Å; F250-I269 HydrophobicContact CD2-CG2 3.98Å; F250-I269 HydrophobicContact CE1-CD1 4.3Å; F250-I269 HydrophobicContact CE1-CG1 3.96Å; F250-I269 HydrophobicContact CE2-CG1 4.17Å; F250-I269 HydrophobicContact CE2-CG2 3.82Å; F250-I269 HydrophobicContact CG-CD1 4.1Å; F250-I269 HydrophobicContact CG-CG1 4.41Å; F250-I269 HydrophobicContact CZ-CG1 3.95Å; F250-I269 HydrophobicContact CZ-CG2 4.38Å; F250-I280 PolarHBondContact N-O 3.11Å; F250-V281 HydrophobicContact CB-CG2 4.32Å; F250-V281 HydrophobicContact CD2-CG2 4.15Å; F250-V282 PolarHBondContact O-N 3.38Å
251	D	90.2	Very high	88.2	Confident	10 Å²	10	25.3 Å²	25.3	5%	0.053	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	105.2	174.5	-154.9	-1.1	0	0	0	109.9	S127 L130 K179 Q181	S127-D251 PolarHBondContact OG-OD2 3.29Å; L130-D251 HydrophobicContact CD1-CB 3.88Å; K179-D251 VanDerWaalsContact CD-O 3.24Å; K179-D251 WeakPolarHBondContact CD-O 3.48Å; K179-D251 PolarHBondContact NZ-O 2.7Å; K179-D251 WeakPolarHBondContact O-CB 3.47Å; K179-D251 PolarHBondContact O-N 2.96Å; Q181-D251 HydrophobicContact CB-CB 4.41Å
252	E	87.7	Confident	88	Confident	23 Å²	23	26.2 Å²	26.2	11%	0.107	12%	0.118	C	C	.	.	S	Bend	trans	52.2	66.2	-177.5	-59.5	-179.3	-150.5	0	0	113.9	K179 Q181 Q233 S254 S255 V282 H284	K179-E252 PolarHBondContact NZ-O 2.86Å; Q181-E252 PolarHBondContact NE2-OE1 2.86Å; Q233-E252 PolarHBondContact NE2-O 3.13Å; E252-S254 VanDerWaalsContact C-N 3.33Å; E252-S254 PolarHBondContact O-N 3.17Å; E252-S255 PolarHBondContact OE2-OG 2.97Å; E252-V282 VanDerWaalsContact CA-O 3.29Å; E252-V282 WeakPolarHBondContact CA-O 3.48Å; E252-V282 HydrophobicContact CG-CG1 4.49Å; E252-V282 PolarHBondContact N-O 2.97Å; E252-H284 IonicContact OE1-CD2 3.58Å; E252-H284 IonicContact OE1-NE2 2.71Å; E252-H284 PolarHBondContact OE1-NE2 3.48Å
253	P	90.8	Very high	87.8	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.013	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.7	177.5	25.1	-31.5	0	0	0	114.7	Q233 I237 F250 L257 I269 V281 V282 E283	Q233-P253 PolarHBondContact NE2-O 2.69Å; I237-P253 HydrophobicContact CD1-CB 3.99Å; I237-P253 HydrophobicContact CG1-CB 4.35Å; F250-P253 HydrophobicContact CB-CB 4.27Å; F250-P253 HydrophobicContact CB-CG 3.9Å; P253-L257 VanDerWaalsContact O-CD1 3.31Å; P253-L257 WeakPolarHBondContact O-CD1 3.42Å; P253-I269 HydrophobicContact CB-CD1 3.77Å; P253-I269 HydrophobicContact CG-CD1 3.89Å; P253-V281 HydrophobicContact CG-CG1 4.06Å; P253-V282 WeakPolarHBondContact CD-O 3.47Å; P253-E283 WeakPolarHBondContact CD-OE1 3.43Å; P253-E283 HydrophobicContact CG-CG 4.21Å; P253-E283 WeakPolarHBondContact CG-OE1 3.23Å
254	S	86.8	Confident	87.7	Confident	5 Å²	5	29.3 Å²	29.3	4%	0.035	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.2	-176.8	70.8	0	0	0	0	115.3	E252 L257 R262 E283	E252-S254 VanDerWaalsContact C-N 3.33Å; E252-S254 PolarHBondContact O-N 3.17Å; S254-L257 PolarHBondContact O-N 3.47Å; S254-R262 PolarHBondContact O-NE 2.88Å; S254-E283 WeakPolarHBondContact CA-OE1 3.37Å; S254-E283 WeakPolarHBondContact CB-OE1 3.45Å; S254-E283 WeakPolarHBondContact CB-OE2 3.37Å; S254-E283 PolarHBondContact N-OE1 3.43Å; S254-E283 PolarHBondContact OG-OE1 3.06Å; S254-E283 PolarHBondContact OG-OE2 2.79Å
255	S	81.3	Confident	87.9	Confident	26 Å²	26	21 Å²	21	18%	0.182	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	137.2	-176.3	-65.8	0	0	0	0	112	Q233 E252 L257	Q233-S255 WeakPolarHBondContact CG-O 3.34Å; E252-S255 PolarHBondContact OE2-OG 2.97Å; S255-L257 PolarHBondContact O-N 3.23Å
256	Y	78.8	Confident	87.9	Confident	71 Å²	71	20.7 Å²	20.7	28%	0.278	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-5.5	-177.1	-46	-77.3	0	0	0	117	V183 N391 Y502	V183-Y256 HydrophobicContact CG2-CD2 4.1Å; V183-Y256 HydrophobicContact CG2-CE2 3.65Å; Y256-N391 PolarHBondContact O-ND2 3.22Å; Y256-Y502 HydrophobicContact CE1-CE1 4.29Å; Y256-Y502 AromaticContact CE1-CZ 3.95Å; Y256-Y502 WeakPolarHBondContact CE1-OH 3.4Å; Y256-Y502 AromaticContact CZ-CE1 3.93Å; Y256-Y502 AromaticContact CZ-CZ 4Å; Y256-Y502 WeakPolarHBondContact OH-CE1 3.28Å; Y256-Y502 VanDerWaalsContact OH-CZ 3.27Å; Y256-Y502 PolarHBondContact OH-OH 3.34Å
257	L	85.6	Confident	87.8	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.097	C	C	.	.			trans	-82	143.1	178.4	-59	-175.2	0	0	0	110.6	G230 Q233 R234 I237 P253 S254 S255 Q261 R262 A265	G230-L257 WeakPolarHBondContact O-CD2 3.44Å; Q233-L257 HydrophobicContact CB-CD2 4.03Å; Q233-L257 HydrophobicContact CG-CD1 4.25Å; Q233-L257 HydrophobicContact CG-CD2 3.97Å; Q233-L257 HydrophobicContact CG-CG 4Å; R234-L257 HydrophobicContact CG-CD2 3.68Å; I237-L257 HydrophobicContact CD1-CD1 4.29Å; P253-L257 VanDerWaalsContact O-CD1 3.31Å; P253-L257 WeakPolarHBondContact O-CD1 3.42Å; S254-L257 PolarHBondContact O-N 3.47Å; S255-L257 PolarHBondContact O-N 3.23Å; L257-Q261 HydrophobicContact CB-CB 3.97Å; L257-Q261 HydrophobicContact CD2-CB 4.25Å; L257-Q261 HydrophobicContact CG-CB 4.49Å; L257-R262 HydrophobicContact CB-CG 3.6Å; L257-R262 PolarHBondContact O-NE 2.87Å; L257-R262 PolarHBondContact O-NH2 3.5Å; L257-R262 VanDerWaalsContact O-NH2 3.13Å; L257-A265 HydrophobicContact CD1-CB 3.88Å
258	D	81.3	Confident	87.8	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.016	10%	0.098	C	C	.	.			trans	-71.8	172.3	166	67.1	48.4	0	0	0	111.4	K260 Q261 R262 N391	D258-K260 VanDerWaalsContact C-N 3.32Å; D258-K260 PolarHBondContact O-N 3.48Å; D258-K260 WeakPolarHBondContact OD1-CB 3.46Å; D258-K260 PolarHBondContact OD1-N 3.37Å; D258-Q261 PolarHBondContact O-N 2.9Å; D258-Q261 WeakPolarHBondContact OD1-CB 3.48Å; D258-Q261 VanDerWaalsContact OD1-CG 3.3Å; D258-Q261 WeakPolarHBondContact OD1-CG 3.34Å; D258-Q261 PolarHBondContact OD1-N 3.1Å; D258-Q261 PolarHBondContact OD2-NE2 2.91Å; D258-Q261 PolarHBondContact OD2-OE1 2.87Å; D258-R262 WeakPolarHBondContact O-CB 3.39Å; D258-R262 VanDerWaalsContact O-CG 3.24Å; D258-R262 WeakPolarHBondContact O-CG 3.49Å; D258-R262 PolarHBondContact O-N 2.86Å; D258-N391 HydrophobicContact CB-CB 4.23Å; D258-N391 PolarHBondContact OD2-N 3.37Å; D258-N391 VanDerWaalsContact OD2-N 3.08Å
259	V	81.2	Confident	87.7	Confident	7 Å²	7	19.7 Å²	19.7	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-55.7	-44	-176.8	170	0	0	0	0	112.9	L263 H531 F533 F569 L573	V259-L263 HydrophobicContact CG1-CD1 4.4Å; V259-L263 WeakPolarHBondContact O-CG 3.35Å; V259-L263 PolarHBondContact O-N 3.1Å; V259-H531 WeakPolarHBondContact CG2-O 3.28Å; V259-F533 HydrophobicContact CB-CE2 4.24Å; V259-F533 HydrophobicContact CB-CZ 4.32Å; V259-F533 HydrophobicContact CG1-CE1 4.48Å; V259-F533 HydrophobicContact CG1-CE2 3.32Å; V259-F533 HydrophobicContact CG1-CZ 3.33Å; V259-F533 HydrophobicContact CG2-CD2 4.43Å; V259-F533 HydrophobicContact CG2-CE2 3.88Å; V259-F533 HydrophobicContact CG2-CZ 4.03Å; V259-F569 HydrophobicContact CB-CE1 4.47Å; V259-F569 HydrophobicContact CB-CZ 4.08Å; V259-F569 HydrophobicContact CG1-CE1 4.33Å; V259-F569 HydrophobicContact CG1-CZ 4.32Å; V259-F569 HydrophobicContact CG2-CE1 4.19Å; V259-F569 HydrophobicContact CG2-CZ 3.98Å; V259-L573 HydrophobicContact CB-CD1 4.25Å; V259-L573 HydrophobicContact CG1-CD1 3.42Å; V259-L573 VanDerWaalsContact CG1-CD1 3.42Å
260	K	83.6	Confident	87.5	Confident	75 Å²	75	23.5 Å²	23.5	33%	0.326	11%	0.11	S	C	.	.	H	α-helix	trans	-69.8	-45.5	-177.8	-174.9	172.9	174.6	177.8	0	110.6	D258 R262 L263 K264 E390 L573	D258-K260 VanDerWaalsContact C-N 3.32Å; D258-K260 PolarHBondContact O-N 3.48Å; D258-K260 WeakPolarHBondContact OD1-CB 3.46Å; D258-K260 PolarHBondContact OD1-N 3.37Å; K260-R262 PolarHBondContact O-N 2.96Å; K260-L263 PolarHBondContact O-N 2.91Å; K260-K264 PolarHBondContact O-N 3.22Å; K260-E390 WeakPolarHBondContact CD-OE1 3.13Å; K260-E390 IonicContact NZ-OE1 2.72Å; K260-E390 PolarHBondContact NZ-OE1 3.09Å; K260-E390 IonicContact NZ-OE2 3.34Å; K260-L573 HydrophobicContact CB-CD2 3.74Å; K260-L573 HydrophobicContact CD-CD2 4.25Å; K260-L573 HydrophobicContact CG-CD2 4.24Å
261	Q	87.6	Confident	87.2	Confident	27 Å²	27	25.9 Å²	25.9	13%	0.126	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-39.5	177.3	-69.4	173.4	-3.3	0	0	111.7	L257 D258 L263 K264 A265	L257-Q261 HydrophobicContact CB-CB 3.97Å; L257-Q261 HydrophobicContact CD2-CB 4.25Å; L257-Q261 HydrophobicContact CG-CB 4.49Å; D258-Q261 PolarHBondContact O-N 2.9Å; D258-Q261 WeakPolarHBondContact OD1-CB 3.48Å; D258-Q261 VanDerWaalsContact OD1-CG 3.3Å; D258-Q261 WeakPolarHBondContact OD1-CG 3.34Å; D258-Q261 PolarHBondContact OD1-N 3.1Å; D258-Q261 PolarHBondContact OD2-NE2 2.91Å; D258-Q261 PolarHBondContact OD2-OE1 2.87Å; Q261-L263 VanDerWaalsContact C-N 3.29Å; Q261-L263 PolarHBondContact O-N 3.39Å; Q261-K264 PolarHBondContact O-N 3.28Å; Q261-A265 VanDerWaalsContact O-CB 3.25Å; Q261-A265 WeakPolarHBondContact O-CB 3.5Å; Q261-A265 PolarHBondContact O-N 2.95Å
262	R	88.5	Confident	87.1	Confident	19 Å²	19	25.7 Å²	25.7	7%	0.072	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-41.9	174.1	-75.6	179.3	-162.8	-179.6	10.4	111.7	S254 L257 D258 K260 A266 D285 V288	S254-R262 PolarHBondContact O-NE 2.88Å; L257-R262 HydrophobicContact CB-CG 3.6Å; L257-R262 PolarHBondContact O-NE 2.87Å; L257-R262 PolarHBondContact O-NH2 3.5Å; L257-R262 VanDerWaalsContact O-NH2 3.13Å; D258-R262 WeakPolarHBondContact O-CB 3.39Å; D258-R262 VanDerWaalsContact O-CG 3.24Å; D258-R262 WeakPolarHBondContact O-CG 3.49Å; D258-R262 PolarHBondContact O-N 2.86Å; K260-R262 PolarHBondContact O-N 2.96Å; R262-A266 VanDerWaalsContact O-CB 3.28Å; R262-A266 WeakPolarHBondContact O-CB 3.38Å; R262-A266 PolarHBondContact O-N 2.8Å; R262-D285 IonicContact CZ-OD2 2.72Å; R262-D285 IonicContact NH1-OD2 2.79Å; R262-D285 PolarHBondContact NH1-OD2 3Å; R262-V288 HydrophobicContact CB-CG2 4.08Å
263	L	85.9	Confident	87.1	Confident	18 Å²	18	26.1 Å²	26.1	9%	0.094	13%	0.13	C	C	.	.	H	α-helix	trans	-76.4	-38	-178.3	-68.2	171.3	0	0	0	112.5	V259 K260 Q261 A266 V267 I575 I588	V259-L263 HydrophobicContact CG1-CD1 4.4Å; V259-L263 WeakPolarHBondContact O-CG 3.35Å; V259-L263 PolarHBondContact O-N 3.1Å; K260-L263 PolarHBondContact O-N 2.91Å; Q261-L263 VanDerWaalsContact C-N 3.29Å; Q261-L263 PolarHBondContact O-N 3.39Å; L263-A266 WeakPolarHBondContact O-CB 3.33Å; L263-A266 PolarHBondContact O-N 3.06Å; L263-V267 VanDerWaalsContact O-CG2 3.29Å; L263-V267 WeakPolarHBondContact O-CG2 3.4Å; L263-V267 PolarHBondContact O-N 3.22Å; L263-I575 HydrophobicContact CD1-CD1 3.04Å; L263-I575 HydrophobicContact CD1-CG1 4.06Å; L263-I575 HydrophobicContact CG-CD1 4.46Å; L263-I588 HydrophobicContact CD2-CD1 4Å
264	K	89.1	Confident	86.9	Confident	64 Å²	64	29.9 Å²	29.9	28%	0.278	15%	0.15	S	C	.	.	H	α-helix	trans	-58.1	-51.1	168.7	-75.2	-173.2	170.3	-167.6	0	111	D215 K260 Q261 A266 V267 T268	D215-K264 IonicContact OD1-NZ 2.66Å; D215-K264 PolarHBondContact OD1-NZ 2.95Å; D215-K264 WeakPolarHBondContact OD2-CD 3.4Å; D215-K264 IonicContact OD2-NZ 2.91Å; D215-K264 PolarHBondContact OD2-NZ 3.3Å; K260-K264 PolarHBondContact O-N 3.22Å; Q261-K264 PolarHBondContact O-N 3.28Å; K264-A266 PolarHBondContact O-N 2.98Å; K264-V267 WeakPolarHBondContact O-CB 3.48Å; K264-V267 PolarHBondContact O-N 3.48Å; K264-V267 VanDerWaalsContact O-N 3.09Å; K264-T268 PolarHBondContact O-N 2.91Å; K264-T268 PolarHBondContact O-OG1 3.14Å
265	A	91.7	Very high	86.8	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-40.9	173.9	0	0	0	0	0	112	L214 I237 L257 Q261 T268 I269	L214-A265 HydrophobicContact CD2-CB 4.26Å; I237-A265 HydrophobicContact CD1-CB 3.9Å; L257-A265 HydrophobicContact CD1-CB 3.88Å; Q261-A265 VanDerWaalsContact O-CB 3.25Å; Q261-A265 WeakPolarHBondContact O-CB 3.5Å; Q261-A265 PolarHBondContact O-N 2.95Å; A265-T268 PolarHBondContact O-N 3.43Å; A265-I269 VanDerWaalsContact O-CG1 3.26Å; A265-I269 WeakPolarHBondContact O-CG1 3.43Å; A265-I269 PolarHBondContact O-N 3.15Å
266	A	90.5	Very high	87.1	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-39.6	177.8	0	0	0	0	0	113.3	R262 L263 K264 R270 V288 Y291 L292	R262-A266 VanDerWaalsContact O-CB 3.28Å; R262-A266 WeakPolarHBondContact O-CB 3.38Å; R262-A266 PolarHBondContact O-N 2.8Å; L263-A266 WeakPolarHBondContact O-CB 3.33Å; L263-A266 PolarHBondContact O-N 3.06Å; K264-A266 PolarHBondContact O-N 2.98Å; A266-R270 WeakPolarHBondContact O-CB 3.23Å; A266-R270 PolarHBondContact O-N 3.27Å; A266-V288 HydrophobicContact CB-CG1 4.23Å; A266-Y291 HydrophobicContact CB-CD1 3.72Å; A266-Y291 HydrophobicContact CB-CE1 4.08Å; A266-L292 VanDerWaalsContact CA-CD2 3.46Å; A266-L292 HydrophobicContact CB-CD1 4.28Å; A266-L292 HydrophobicContact CB-CD2 3.58Å; A266-L292 HydrophobicContact CB-CG 3.71Å; A266-L292 VanDerWaalsContact O-CD2 3.29Å; A266-L292 WeakPolarHBondContact O-CD2 3.07Å
267	V	88.9	Confident	87.7	Confident	56 Å²	56	35.2 Å²	35.2	34%	0.339	19%	0.193	S	C	.	.	H	α-helix	trans	-63.3	-45	173.3	171.4	0	0	0	0	110.5	L263 K264 R270 S271 Y291	L263-V267 VanDerWaalsContact O-CG2 3.29Å; L263-V267 WeakPolarHBondContact O-CG2 3.4Å; L263-V267 PolarHBondContact O-N 3.22Å; K264-V267 WeakPolarHBondContact O-CB 3.48Å; K264-V267 PolarHBondContact O-N 3.48Å; K264-V267 VanDerWaalsContact O-N 3.09Å; V267-R270 CarbonylContact O-C 3.59Å; V267-R270 PolarHBondContact O-N 3.17Å; V267-S271 PolarHBondContact O-N 2.92Å; V267-Y291 HydrophobicContact CG2-CE1 3.91Å; V267-Y291 VanDerWaalsContact CG2-OH 3.26Å; V267-Y291 WeakPolarHBondContact CG2-OH 3.32Å
268	T	91.6	Very high	88	Confident	1 Å²	1	36 Å²	36	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-44.5	177.9	-54	0	0	0	0	112.1	M210 M213 L214 K264 A265 R270 S271 M272	M210-T268 HydrophobicContact SD-CG2 3.67Å; M213-T268 HydrophobicContact CE-CG2 4.34Å; L214-T268 HydrophobicContact CD1-CG2 4.26Å; L214-T268 HydrophobicContact CG-CG2 4.33Å; K264-T268 PolarHBondContact O-N 2.91Å; K264-T268 PolarHBondContact O-OG1 3.14Å; A265-T268 PolarHBondContact O-N 3.43Å; T268-R270 PolarHBondContact O-N 3.27Å; T268-S271 PolarHBondContact O-N 3.08Å; T268-S271 PolarHBondContact O-OG 3.1Å; T268-M272 WeakPolarHBondContact O-CG 3.36Å; T268-M272 PolarHBondContact O-N 2.87Å
269	I	92.4	Very high	88.6	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-37.7	175.8	-69.2	166.6	0	0	0	110.4	I115 I237 F250 P253 A265 M272 V281 L292	I115-I269 HydrophobicContact CD1-CG2 4.43Å; I237-I269 HydrophobicContact CG2-CG1 4.29Å; F250-I269 HydrophobicContact CD1-CD1 4.03Å; F250-I269 HydrophobicContact CD1-CG1 4.2Å; F250-I269 HydrophobicContact CD2-CD1 4.44Å; F250-I269 HydrophobicContact CD2-CG1 4.4Å; F250-I269 HydrophobicContact CD2-CG2 3.98Å; F250-I269 HydrophobicContact CE1-CD1 4.3Å; F250-I269 HydrophobicContact CE1-CG1 3.96Å; F250-I269 HydrophobicContact CE2-CG1 4.17Å; F250-I269 HydrophobicContact CE2-CG2 3.82Å; F250-I269 HydrophobicContact CG-CD1 4.1Å; F250-I269 HydrophobicContact CG-CG1 4.41Å; F250-I269 HydrophobicContact CZ-CG1 3.95Å; F250-I269 HydrophobicContact CZ-CG2 4.38Å; P253-I269 HydrophobicContact CB-CD1 3.77Å; P253-I269 HydrophobicContact CG-CD1 3.89Å; A265-I269 VanDerWaalsContact O-CG1 3.26Å; A265-I269 WeakPolarHBondContact O-CG1 3.43Å; A265-I269 PolarHBondContact O-N 3.15Å; I269-M272 PolarHBondContact O-N 3.07Å; I269-V281 HydrophobicContact CG2-CG2 4.14Å; I269-L292 HydrophobicContact CB-CD2 4.01Å; I269-L292 HydrophobicContact CG2-CD2 4.02Å
270	R	90.2	Very high	89.3	Confident	80 Å²	80	35.6 Å²	35.6	30%	0.302	19%	0.194	S	C	.	.	H	α-helix	trans	-71.6	-31.6	179	-164	174.3	-175.9	99.7	21	113.1	I115 A266 V267 T268 M272 V273 Y291 L292 D294	I115-R270 HydrophobicContact CD1-CB 4.32Å; I115-R270 HydrophobicContact CD1-CG 4.27Å; A266-R270 WeakPolarHBondContact O-CB 3.23Å; A266-R270 PolarHBondContact O-N 3.27Å; V267-R270 CarbonylContact O-C 3.59Å; V267-R270 PolarHBondContact O-N 3.17Å; T268-R270 PolarHBondContact O-N 3.27Å; R270-M272 PolarHBondContact O-N 3.27Å; R270-V273 PolarHBondContact O-N 3.26Å; R270-Y291 PolarHBondContact NH1-O 2.85Å; R270-L292 PolarHBondContact NH1-O 3.49Å; R270-D294 IonicContact CZ-OD1 3.8Å; R270-D294 IonicContact NH1-OD1 2.76Å; R270-D294 IonicContact NH2-OD1 3.47Å; R270-D294 PolarHBondContact NH2-OD1 3.39Å; R270-D294 IonicContact NH2-OD2 3.79Å
271	S	88.5	Confident	89.8	Confident	51 Å²	51	32 Å²	32	36%	0.357	18%	0.179	S	C	.	.	H	α-helix	trans	-71.4	-17.6	176.8	68.3	0	0	0	0	113.3	V267 T268 V273	V267-S271 PolarHBondContact O-N 2.92Å; T268-S271 PolarHBondContact O-N 3.08Å; T268-S271 PolarHBondContact O-OG 3.1Å; S271-V273 VanDerWaalsContact C-N 3.35Å
272	M	86.4	Confident	90	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.025	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.5	175.9	-68.3	-57.8	-60.8	0	0	114	L204 M210 C241 Y248 T268 I269 R270 N274 N277	L204-M272 HydrophobicContact CD1-CE 3.99Å; M210-M272 HydrophobicContact CE-SD 4.08Å; M210-M272 HydrophobicContact SD-SD 4.49Å; C241-M272 HydrophobicContact CB-CE 4.39Å; C241-M272 HydrophobicContact CB-CG 4.02Å; C241-M272 HydrophobicContact CB-SD 3.93Å; C241-M272 WeakPolarHBondContact O-CE 3.23Å; Y248-M272 HydrophobicContact CE1-CE 4.05Å; T268-M272 WeakPolarHBondContact O-CG 3.36Å; T268-M272 PolarHBondContact O-N 2.87Å; I269-M272 PolarHBondContact O-N 3.07Å; R270-M272 PolarHBondContact O-N 3.27Å; M272-N274 PolarHBondContact O-N 2.93Å; M272-N277 PolarHBondContact O-ND2 3.29Å
273	V	87.7	Confident	90.1	Very high	32 Å²	32	29.9 Å²	29.9	19%	0.194	17%	0.17	C	C	.	.			trans	-74.4	121.9	-174	-176.2	0	0	0	0	110.7	G113 I115 R270 S271	G113-V273 WeakPolarHBondContact O-CG1 3.25Å; I115-V273 HydrophobicContact CD1-CG2 3.57Å; I115-V273 HydrophobicContact CG1-CG2 3.42Å; I115-V273 VanDerWaalsContact CG1-CG2 3.42Å; R270-V273 PolarHBondContact O-N 3.26Å; S271-V273 VanDerWaalsContact C-N 3.35Å
274	N	87.7	Confident	90.1	Very high	81 Å²	81	29.3 Å²	29.3	43%	0.433	17%	0.167	S	C	.	.			trans	-121.2	158	176.1	-67.3	-13.4	0	0	0	109.2	G113 M272 T276 N277	G113-N274 WeakPolarHBondContact CA-O 3.36Å; G113-N274 PolarHBondContact N-O 2.75Å; M272-N274 PolarHBondContact O-N 2.93Å; N274-T276 PolarHBondContact O-N 3.19Å; N274-N277 PolarHBondContact N-ND2 3.17Å; N274-N277 PolarHBondContact N-OD1 3.42Å; N274-N277 PolarHBondContact O-N 2.97Å; N274-N277 PolarHBondContact O-OD1 3.12Å
275	S	85.2	Confident	89.9	Confident	105 Å²	105	26.4 Å²	26.4	73%	0.734	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-14.5	-178.9	54.3	0	0	0	0	115.4
276	T	87.4	Confident	89.6	Confident	104 Å²	104	26.6 Å²	26.6	64%	0.638	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-23.1	-177.7	55.5	0	0	0	0	114.1	N274	N274-T276 PolarHBondContact O-N 3.19Å
277	N	90.5	Very high	89.3	Confident	6 Å²	6	26.5 Å²	26.5	3%	0.032	15%	0.154	C	C	.	.			trans	-92.8	152.9	-172.4	69.8	12.8	0	0	0	112.2	P112 G113 D246 Y248 M272 N274	P112-N277 CarbonylContact C-O 3.59Å; P112-N277 VanDerWaalsContact CA-O 3.29Å; P112-N277 WeakPolarHBondContact CA-O 3.34Å; G113-N277 PolarHBondContact N-O 2.95Å; D246-N277 WeakPolarHBondContact O-CA 3.24Å; Y248-N277 HydrophobicContact CD2-CB 4.31Å; Y248-N277 HydrophobicContact CE2-CB 4.13Å; M272-N277 PolarHBondContact O-ND2 3.29Å; N274-N277 PolarHBondContact N-ND2 3.17Å; N274-N277 PolarHBondContact N-OD1 3.42Å; N274-N277 PolarHBondContact O-N 2.97Å; N274-N277 PolarHBondContact O-OD1 3.12Å
278	F	92.7	Very high	89.3	Confident	16 Å²	16	24.1 Å²	24.1	7%	0.07	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.5	176.1	-60.6	-90.2	0	0	0	109.2	P110 P112 Y165 L174 D246 I247 Y248	P110-F278 HydrophobicContact CB-CB 4.48Å; P110-F278 HydrophobicContact CB-CD1 3.98Å; P110-F278 HydrophobicContact CG-CD1 4.35Å; P112-F278 HydrophobicContact CB-CD1 4.37Å; P112-F278 HydrophobicContact CB-CE1 4.06Å; P112-F278 HydrophobicContact CB-CZ 4.17Å; P112-F278 HydrophobicContact CG-CE1 4.25Å; P112-F278 HydrophobicContact CG-CZ 4.44Å; Y165-F278 HydrophobicContact CD2-CD1 4.36Å; Y165-F278 HydrophobicContact CD2-CE1 4.13Å; Y165-F278 HydrophobicContact CD2-CZ 4.27Å; Y165-F278 HydrophobicContact CE2-CD1 4.28Å; Y165-F278 HydrophobicContact CE2-CD2 4.38Å; Y165-F278 HydrophobicContact CE2-CE1 4.46Å; Y165-F278 HydrophobicContact CE2-CG 4.21Å; L174-F278 HydrophobicContact CD1-CE2 4.33Å; D246-F278 PolarHBondContact O-N 3.11Å; I247-F278 CarbonylContact C-O 3.6Å; I247-F278 WeakPolarHBondContact CA-O 3.3Å; I247-F278 HydrophobicContact CG1-CB 4.18Å; I247-F278 HydrophobicContact CG1-CD2 4.11Å; I247-F278 HydrophobicContact CG2-CB 4.3Å; Y248-F278 PolarHBondContact N-O 3.38Å
279	S	93.6	Very high	89.2	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.6	179.7	-66.1	0	0	0	0	111	L116 Y248	L116-S279 PolarHBondContact N-O 2.84Å; Y248-S279 WeakPolarHBondContact O-CA 3.22Å
280	I	95	Very high	89	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.7	179.4	-49.7	177.7	0	0	0	109.1	P110 L116 L118 L130 L133 Y248 M249 F250	P110-I280 HydrophobicContact CB-CD1 3.94Å; P110-I280 HydrophobicContact CB-CG1 4.14Å; P110-I280 HydrophobicContact CG-CD1 4.34Å; L116-I280 WeakPolarHBondContact O-CA 3.32Å; L118-I280 HydrophobicContact CD1-CG2 3.79Å; L118-I280 HydrophobicContact CG-CG2 4.09Å; L130-I280 HydrophobicContact CD2-CB 4.29Å; L130-I280 HydrophobicContact CD2-CG2 3.72Å; L133-I280 HydrophobicContact CB-CD1 4.5Å; L133-I280 HydrophobicContact CD1-CD1 3.66Å; Y248-I280 PolarHBondContact O-N 3.17Å; M249-I280 WeakPolarHBondContact CA-O 3.26Å; M249-I280 HydrophobicContact CE-CD1 4.18Å; M249-I280 HydrophobicContact CG-CB 4.48Å; F250-I280 PolarHBondContact N-O 3.11Å
281	V	94.5	Very high	88.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.7	-179.5	178.3	0	0	0	0	109.5	I115 L116 G117 L118 F250 P253 I269 E283 L292	I115-V281 HydrophobicContact CG2-CB 4.28Å; I115-V281 HydrophobicContact CG2-CG2 3.7Å; L116-V281 PolarHBondContact O-N 3.09Å; G117-V281 CarbonylContact C-O 3.59Å; G117-V281 WeakPolarHBondContact CA-O 3.31Å; L118-V281 PolarHBondContact N-O 2.95Å; F250-V281 HydrophobicContact CB-CG2 4.32Å; F250-V281 HydrophobicContact CD2-CG2 4.15Å; P253-V281 HydrophobicContact CG-CG1 4.06Å; I269-V281 HydrophobicContact CG2-CG2 4.14Å; V281-E283 HydrophobicContact CG1-CB 4.32Å; V281-E283 HydrophobicContact CG1-CG 3.68Å; V281-L292 HydrophobicContact CG1-CD1 4Å
282	V	93	Very high	88.9	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.4	167.2	177.3	0	0	0	0	107.9	L118 K126 L130 F250 E252 P253	L118-V282 HydrophobicContact CB-CG2 3.99Å; L118-V282 HydrophobicContact CD1-CG2 3.91Å; L118-V282 HydrophobicContact CG-CG2 4.4Å; K126-V282 HydrophobicContact CB-CG1 4.32Å; K126-V282 HydrophobicContact CB-CG2 4.48Å; K126-V282 HydrophobicContact CD-CG1 3.93Å; L130-V282 HydrophobicContact CD1-CG2 3.63Å; L130-V282 HydrophobicContact CD2-CG2 4.36Å; L130-V282 HydrophobicContact CG-CG2 4.1Å; F250-V282 PolarHBondContact O-N 3.38Å; E252-V282 VanDerWaalsContact CA-O 3.29Å; E252-V282 WeakPolarHBondContact CA-O 3.48Å; E252-V282 HydrophobicContact CG-CG1 4.49Å; E252-V282 PolarHBondContact N-O 2.97Å; P253-V282 WeakPolarHBondContact CD-O 3.47Å
283	E	89.5	Confident	89.1	Confident	2 Å²	2	18.8 Å²	18.8	1%	0.009	11%	0.111	C	C	.	.			trans	-139.1	147.2	-179.2	-93.8	-61.5	162.9	0	0	112.2	L118 P253 S254 V281 D285 L289 L292	L118-E283 PolarHBondContact O-N 2.86Å; P253-E283 WeakPolarHBondContact CD-OE1 3.43Å; P253-E283 HydrophobicContact CG-CG 4.21Å; P253-E283 WeakPolarHBondContact CG-OE1 3.23Å; S254-E283 WeakPolarHBondContact CA-OE1 3.37Å; S254-E283 WeakPolarHBondContact CB-OE1 3.45Å; S254-E283 WeakPolarHBondContact CB-OE2 3.37Å; S254-E283 PolarHBondContact N-OE1 3.43Å; S254-E283 PolarHBondContact OG-OE1 3.06Å; S254-E283 PolarHBondContact OG-OE2 2.79Å; V281-E283 HydrophobicContact CG1-CB 4.32Å; V281-E283 HydrophobicContact CG1-CG 3.68Å; E283-D285 PolarHBondContact OE2-N 3.25Å; E283-L289 HydrophobicContact CB-CB 4.25Å; E283-L289 HydrophobicContact CB-CD1 3.89Å; E283-L292 HydrophobicContact CG-CD1 4.29Å
284	H	85.8	Confident	89.3	Confident	6 Å²	6	19.5 Å²	19.5	3%	0.028	11%	0.114	C	C	.	.	S	Bend	trans	-103.9	-26.3	175.2	-76	-75.6	0	0	0	112.3	G120 N122 K126 E252 L286 D504 S505	G120-H284 PolarHBondContact O-CE1 2.94Å; G120-H284 VanDerWaalsContact O-CE1 3.31Å; N122-H284 PolarHBondContact OD1-CE1 3.12Å; N122-H284 PolarHBondContact OD1-NE2 2.77Å; K126-H284 PolarHBondContact NZ-CE1 3.49Å; K126-H284 PolarHBondContact NZ-NE2 2.9Å; E252-H284 IonicContact OE1-CD2 3.58Å; E252-H284 IonicContact OE1-NE2 2.71Å; E252-H284 PolarHBondContact OE1-NE2 3.48Å; H284-L286 PolarHBondContact O-N 3.45Å; H284-D504 VanDerWaalsContact CE1-CB 3.42Å; H284-D504 WeakPolarHBondContact CE1-CB 3.49Å; H284-D504 WeakPolarHBondContact ND1-CB 3.49Å; H284-S505 WeakPolarHBondContact O-CB 3.35Å
285	D	84.9	Confident	89.5	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.011	11%	0.105	C	C	.	.			trans	-77.9	105.8	177.1	-172	-32.2	0	0	0	109.9	R262 E283 S287 V288 L289	R262-D285 IonicContact CZ-OD2 2.72Å; R262-D285 IonicContact NH1-OD2 2.79Å; R262-D285 PolarHBondContact NH1-OD2 3Å; E283-D285 PolarHBondContact OE2-N 3.25Å; D285-S287 PolarHBondContact O-N 2.94Å; D285-S287 WeakPolarHBondContact OD1-CA 3.06Å; D285-S287 VanDerWaalsContact OD1-CB 3.27Å; D285-S287 WeakPolarHBondContact OD1-CB 3.38Å; D285-S287 PolarHBondContact OD1-N 3.25Å; D285-V288 HydrophobicContact CB-CB 4.08Å; D285-V288 HydrophobicContact CB-CG2 4.05Å; D285-V288 PolarHBondContact O-N 3.19Å; D285-V288 PolarHBondContact OD1-N 3.2Å; D285-L289 VanDerWaalsContact O-CB 3.26Å; D285-L289 WeakPolarHBondContact O-CB 3.33Å; D285-L289 PolarHBondContact O-N 2.99Å
286	L	85.9	Confident	90	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.037	7%	0.07	C	C	.	.	H	α-helix	trans	-63.4	-21.8	-178.6	-58.7	178.9	0	0	0	113.2	V119 H284 D290 I319 F322 L323 I534 R585	V119-L286 HydrophobicContact CG2-CD2 3.93Å; H284-L286 PolarHBondContact O-N 3.45Å; L286-D290 PolarHBondContact O-N 3.36Å; L286-I319 HydrophobicContact CB-CG2 4.43Å; L286-I319 HydrophobicContact CD1-CG2 4.09Å; L286-I319 HydrophobicContact CD2-CG2 4.11Å; L286-I319 HydrophobicContact CG-CG2 4.45Å; L286-F322 HydrophobicContact CD1-CD1 4.49Å; L286-F322 HydrophobicContact CD2-CD1 4.13Å; L286-F322 HydrophobicContact CD2-CE1 4.32Å; L286-L323 HydrophobicContact CD1-CD2 3.91Å; L286-L323 HydrophobicContact CD1-CG 4.43Å; L286-I534 HydrophobicContact CB-CD1 3.85Å; L286-I534 HydrophobicContact CD1-CD1 4.22Å; L286-I534 HydrophobicContact CG-CD1 4.4Å; L286-R585 PolarHBondContact O-NH2 3.12Å; L286-R585 VanDerWaalsContact O-NH2 3.17Å
287	S	84.5	Confident	90.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-78.5	-45.8	178.5	-52.1	0	0	0	0	110.4	D285 D290 Y291	D285-S287 PolarHBondContact O-N 2.94Å; D285-S287 WeakPolarHBondContact OD1-CA 3.06Å; D285-S287 VanDerWaalsContact OD1-CB 3.27Å; D285-S287 WeakPolarHBondContact OD1-CB 3.38Å; D285-S287 PolarHBondContact OD1-N 3.25Å; S287-D290 PolarHBondContact O-N 3.03Å; S287-Y291 PolarHBondContact O-N 2.76Å
288	V	88	Confident	90.4	Very high	6 Å²	6	8 Å²	8	4%	0.036	4%	0.038	C	C	.	.	H	α-helix	trans	-67.6	-40.5	176	178.9	0	0	0	0	110.7	R262 A266 D285 D290 Y291 L292	R262-V288 HydrophobicContact CB-CG2 4.08Å; A266-V288 HydrophobicContact CB-CG1 4.23Å; D285-V288 HydrophobicContact CB-CB 4.08Å; D285-V288 HydrophobicContact CB-CG2 4.05Å; D285-V288 PolarHBondContact O-N 3.19Å; D285-V288 PolarHBondContact OD1-N 3.2Å; V288-D290 VanDerWaalsContact C-N 3.31Å; V288-D290 PolarHBondContact O-N 2.89Å; V288-Y291 WeakPolarHBondContact O-CB 3.3Å; V288-Y291 PolarHBondContact O-N 3.45Å; V288-Y291 VanDerWaalsContact O-N 3.07Å; V288-L292 HydrophobicContact CG1-CD1 3.66Å; V288-L292 HydrophobicContact CG1-CG 4.14Å; V288-L292 WeakPolarHBondContact O-CB 3.02Å; V288-L292 PolarHBondContact O-N 3.48Å
289	L	89.7	Confident	90.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.1	-38.1	176.6	-174.1	70.8	0	0	0	112.4	V119 E283 D285 Y291 S293 I296	V119-L289 HydrophobicContact CB-CD2 3.89Å; V119-L289 HydrophobicContact CG2-CD2 4.26Å; E283-L289 HydrophobicContact CB-CB 4.25Å; E283-L289 HydrophobicContact CB-CD1 3.89Å; D285-L289 VanDerWaalsContact O-CB 3.26Å; D285-L289 WeakPolarHBondContact O-CB 3.33Å; D285-L289 PolarHBondContact O-N 2.99Å; L289-Y291 VanDerWaalsContact C-N 3.29Å; L289-Y291 PolarHBondContact O-N 3.12Å; L289-S293 VanDerWaalsContact CD1-OG 3.25Å; L289-S293 WeakPolarHBondContact CD1-OG 3.36Å; L289-S293 WeakPolarHBondContact O-CB 3.47Å; L289-S293 PolarHBondContact O-N 2.92Å; L289-S293 PolarHBondContact O-OG 3.32Å; L289-I296 HydrophobicContact CD2-CD1 3.62Å; L289-I296 HydrophobicContact CD2-CG1 4.29Å; L289-I296 HydrophobicContact CG-CD1 3.75Å; L289-I296 HydrophobicContact CG-CG1 4.33Å
290	D	88.1	Confident	90.2	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.011	4%	0.036	C	C	.	.	H	α-helix	trans	-68.7	-28	175.6	176	68.1	0	0	0	113.4	L286 S287 V288 V315 I319 R587 K590	L286-D290 PolarHBondContact O-N 3.36Å; S287-D290 PolarHBondContact O-N 3.03Å; V288-D290 VanDerWaalsContact C-N 3.31Å; V288-D290 PolarHBondContact O-N 2.89Å; D290-V315 HydrophobicContact CB-CG1 3.92Å; D290-V315 WeakPolarHBondContact OD1-CG1 3.48Å; D290-I319 HydrophobicContact CB-CD1 4.04Å; D290-R587 VanDerWaalsContact CG-NE 3.34Å; D290-R587 IonicContact OD1-CZ 2.91Å; D290-R587 VanDerWaalsContact OD1-CZ 3.27Å; D290-R587 IonicContact OD1-NE 2.94Å; D290-R587 PolarHBondContact OD1-NE 3.49Å; D290-R587 IonicContact OD1-NH2 3.31Å; D290-R587 PolarHBondContact OD1-NH2 3.32Å; D290-R587 WeakPolarHBondContact OD2-CD 3.5Å; D290-R587 WeakPolarHBondContact OD2-CG 3.41Å; D290-R587 IonicContact OD2-CZ 3.88Å; D290-R587 IonicContact OD2-NE 3.38Å; D290-R587 PolarHBondContact OD2-NE 2.81Å; D290-R587 IonicContact OD2-NH2 2.72Å; D290-K590 WeakPolarHBondContact O-CE 3.03Å
291	Y	87.5	Confident	89.8	Confident	21 Å²	21	8.4 Å²	8.4	8%	0.082	5%	0.045	C	C	.	.	H	α-helix	trans	-77.9	-44.6	174.8	-174.6	-90.3	0	0	0	111.9	A266 V267 R270 S287 V288 L289 I588 K590	A266-Y291 HydrophobicContact CB-CD1 3.72Å; A266-Y291 HydrophobicContact CB-CE1 4.08Å; V267-Y291 HydrophobicContact CG2-CE1 3.91Å; V267-Y291 VanDerWaalsContact CG2-OH 3.26Å; V267-Y291 WeakPolarHBondContact CG2-OH 3.32Å; R270-Y291 PolarHBondContact NH1-O 2.85Å; S287-Y291 PolarHBondContact O-N 2.76Å; V288-Y291 WeakPolarHBondContact O-CB 3.3Å; V288-Y291 PolarHBondContact O-N 3.45Å; V288-Y291 VanDerWaalsContact O-N 3.07Å; L289-Y291 VanDerWaalsContact C-N 3.29Å; L289-Y291 PolarHBondContact O-N 3.12Å; Y291-I588 HydrophobicContact CD2-CG2 4.12Å; Y291-K590 HydrophobicContact CD2-CG 4.17Å; Y291-K590 HydrophobicContact CE2-CB 4.46Å; Y291-K590 HydrophobicContact CE2-CG 4.38Å
292	L	89.5	Confident	89.2	Confident	2 Å²	2	11.4 Å²	11.4	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-68.6	-60.7	-177.9	-82.5	175.5	0	0	0	112.5	I115 A266 I269 R270 V281 E283 V288	I115-L292 WeakPolarHBondContact CD1-O 3.23Å; A266-L292 VanDerWaalsContact CA-CD2 3.46Å; A266-L292 HydrophobicContact CB-CD1 4.28Å; A266-L292 HydrophobicContact CB-CD2 3.58Å; A266-L292 HydrophobicContact CB-CG 3.71Å; A266-L292 VanDerWaalsContact O-CD2 3.29Å; A266-L292 WeakPolarHBondContact O-CD2 3.07Å; I269-L292 HydrophobicContact CB-CD2 4.01Å; I269-L292 HydrophobicContact CG2-CD2 4.02Å; R270-L292 PolarHBondContact NH1-O 3.49Å; V281-L292 HydrophobicContact CG1-CD1 4Å; E283-L292 HydrophobicContact CG-CD1 4.29Å; V288-L292 HydrophobicContact CG1-CD1 3.66Å; V288-L292 HydrophobicContact CG1-CG 4.14Å; V288-L292 WeakPolarHBondContact O-CB 3.02Å; V288-L292 PolarHBondContact O-N 3.48Å
293	S	90.7	Very high	88.8	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.			trans	-78.4	156.7	-163.5	-56.3	0	0	0	0	113.3	G117 L289 V315	G117-S293 WeakPolarHBondContact CA-OG 3.47Å; G117-S293 PolarHBondContact N-OG 3.43Å; L289-S293 VanDerWaalsContact CD1-OG 3.25Å; L289-S293 WeakPolarHBondContact CD1-OG 3.36Å; L289-S293 WeakPolarHBondContact O-CB 3.47Å; L289-S293 PolarHBondContact O-N 2.92Å; L289-S293 PolarHBondContact O-OG 3.32Å; S293-V315 VanDerWaalsContact O-CG2 3.26Å; S293-V315 WeakPolarHBondContact O-CG2 3.38Å
294	D	91.1	Very high	88.3	Confident	47 Å²	47	17 Å²	17	25%	0.251	11%	0.108	S	C	.	.	S	Bend	trans	-108.4	-31.3	168.3	-55.4	-60.9	0	0	0	110.7	I115 R270 V315 K590	I115-D294 PolarHBondContact N-OD2 3.12Å; I115-D294 PolarHBondContact O-N 3.36Å; R270-D294 IonicContact CZ-OD1 3.8Å; R270-D294 IonicContact NH1-OD1 2.76Å; R270-D294 IonicContact NH2-OD1 3.47Å; R270-D294 PolarHBondContact NH2-OD1 3.39Å; R270-D294 IonicContact NH2-OD2 3.79Å; D294-V315 WeakPolarHBondContact O-CG2 3.47Å; D294-K590 IonicContact OD1-NZ 3.6Å
295	F	93.6	Very high	88.2	Confident	56 Å²	56	16.9 Å²	16.9	25%	0.246	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.4	169.7	-69.1	-86.9	0	0	0	111.1	E114 I115 L116 G117 P312 F313	E114-F295 VanDerWaalsContact CD-CE2 3.44Å; E114-F295 WeakPolarHBondContact OE1-CE2 3.39Å; E114-F295 WeakPolarHBondContact OE2-CD2 3.24Å; E114-F295 WeakPolarHBondContact OE2-CE2 3.39Å; I115-F295 PolarHBondContact O-N 3.2Å; L116-F295 HydrophobicContact CD1-CB 4.01Å; G117-F295 PolarHBondContact N-O 2.92Å; F295-P312 HydrophobicContact CB-CB 4.42Å; F295-F313 CarbonylContact C-O 3.6Å; F295-F313 WeakPolarHBondContact CA-O 3.38Å
296	I	94	Very high	88.4	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.2	177.4	-69.1	177.1	0	0	0	110	G117 V119 L289 V298 F313 V315 I319	G117-I296 CarbonylContact O-C 3.27Å; G117-I296 VanDerWaalsContact O-CA 3.26Å; G117-I296 WeakPolarHBondContact O-CA 3.21Å; V119-I296 HydrophobicContact CG1-CG2 3.66Å; L289-I296 HydrophobicContact CD2-CD1 3.62Å; L289-I296 HydrophobicContact CD2-CG1 4.29Å; L289-I296 HydrophobicContact CG-CD1 3.75Å; L289-I296 HydrophobicContact CG-CG1 4.33Å; I296-V298 HydrophobicContact CG2-CG2 4.42Å; I296-F313 PolarHBondContact N-O 3.46Å; I296-F313 PolarHBondContact O-N 2.85Å; I296-V315 HydrophobicContact CD1-CB 4.1Å; I296-V315 HydrophobicContact CD1-CG1 3.78Å; I296-V315 HydrophobicContact CD1-CG2 4.24Å; I296-V315 HydrophobicContact CG1-CG2 4.24Å; I296-I319 HydrophobicContact CD1-CD1 3.81Å; I296-I319 HydrophobicContact CD1-CG1 3.56Å
297	C	94.3	Very high	88.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.7	161	-65.3	0	0	0	0	109.5	G117 L118 V119 V309	G117-C297 PolarHBondContact O-N 2.9Å; L118-C297 HydrophobicContact CD2-CB 3.74Å; V119-C297 PolarHBondContact N-O 3.16Å; V119-C297 VanDerWaalsContact N-O 3.09Å; C297-V309 HydrophobicContact CB-CG1 4Å
298	V	92.1	Very high	88.9	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.8	172.4	-178.4	0	0	0	0	107.6	V119 I296 T310 G318 I321 F322 F334	V119-V298 HydrophobicContact CG1-CB 4.33Å; V119-V298 HydrophobicContact CG1-CG1 4.47Å; V119-V298 HydrophobicContact CG1-CG2 3.86Å; I296-V298 HydrophobicContact CG2-CG2 4.42Å; V298-T310 HydrophobicContact CB-CG2 4.16Å; V298-T310 PolarHBondContact N-OG1 2.97Å; V298-T310 VanDerWaalsContact O-CG2 3.28Å; V298-T310 WeakPolarHBondContact O-CG2 3Å; V298-T310 PolarHBondContact O-N 3.16Å; V298-T310 PolarHBondContact O-OG1 3.37Å; V298-G318 WeakPolarHBondContact CG2-O 3.27Å; V298-I321 HydrophobicContact CG2-CG2 4.48Å; V298-F322 HydrophobicContact CG1-CB 4.36Å; V298-F322 HydrophobicContact CG1-CD2 3.9Å; V298-F322 HydrophobicContact CG2-CB 4.2Å; V298-F334 HydrophobicContact CG1-CZ 4.44Å
299	L	92.5	Very high	89.1	Confident	3 Å²	3	17.5 Å²	17.5	2%	0.016	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.7	168.7	-71.9	85.4	0	0	0	108.1	L118 V119 I124 K126 V308 V309	L118-L299 HydrophobicContact CB-CD1 4.09Å; L118-L299 HydrophobicContact CD2-CD1 4.2Å; V119-L299 PolarHBondContact O-N 2.82Å; I124-L299 HydrophobicContact CD1-CB 3.31Å; I124-L299 VanDerWaalsContact CD1-O 3.32Å; I124-L299 WeakPolarHBondContact CD1-O 3.48Å; I124-L299 HydrophobicContact CG1-CB 3.93Å; I124-L299 HydrophobicContact CG1-CD2 4.38Å; K126-L299 HydrophobicContact CG-CD1 4.3Å; K126-L299 HydrophobicContact CG-CD2 3.78Å; K126-L299 HydrophobicContact CG-CG 4.46Å; L299-V308 WeakPolarHBondContact CA-O 3.33Å; L299-V309 HydrophobicContact CD1-CG1 4.43Å; L299-V309 HydrophobicContact CD2-CG2 3.9Å; L299-V309 HydrophobicContact CG-CB 4.45Å; L299-V309 HydrophobicContact CG-CG1 4.37Å; L299-V309 HydrophobicContact CG-CG2 3.98Å
300	Y	89.8	Confident	89.2	Confident	4 Å²	4	17.7 Å²	17.7	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	159.2	177.1	69.2	-95.9	0	0	0	110.5	V308 T310 V327 E330 L332 F334	Y300-V308 HydrophobicContact CD1-CB 4.46Å; Y300-V308 HydrophobicContact CD2-CB 4.3Å; Y300-V308 HydrophobicContact CE1-CB 3.97Å; Y300-V308 HydrophobicContact CE1-CG1 4.04Å; Y300-V308 HydrophobicContact CE2-CB 3.76Å; Y300-V308 HydrophobicContact CE2-CG1 4.36Å; Y300-V308 HydrophobicContact CE2-CG2 3.87Å; Y300-V308 PolarHBondContact N-O 2.9Å; Y300-V308 PolarHBondContact O-N 3.35Å; Y300-V308 WeakPolarHBondContact OH-CG1 3.42Å; Y300-T310 HydrophobicContact CD1-CG2 3.76Å; Y300-T310 HydrophobicContact CE1-CG2 3.68Å; Y300-V327 HydrophobicContact CD1-CG2 4.25Å; Y300-V327 HydrophobicContact CE1-CG2 4.3Å; Y300-E330 PolarHBondContact OH-OE2 3.28Å; Y300-L332 HydrophobicContact CD2-CD2 3.84Å; Y300-L332 HydrophobicContact CE2-CD1 3.87Å; Y300-L332 HydrophobicContact CE2-CD2 3.52Å; Y300-L332 HydrophobicContact CE2-CG 4.32Å; Y300-F334 HydrophobicContact CD2-CB 4.06Å; Y300-F334 HydrophobicContact CG-CB 4.18Å; Y300-F334 HydrophobicContact CG-CD1 4.15Å; Y300-F334 HydrophobicContact CG-CG 4.23Å
301	G	86.3	Confident	89.2	Confident	19 Å²	19	23 Å²	23	20%	0.196	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.4	-168.8	-178.7	0	0	0	0	0	111.3	Y306	G301-Y306 WeakPolarHBondContact CA-O 3.19Å
302	V	83.7	Confident	89.4	Confident	63 Å²	63	23.5 Å²	23.5	38%	0.382	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.8	178.2	175.5	0	0	0	0	108.3	I83 G304 A305 Y306	I83-V302 HydrophobicContact CD1-CB 3.98Å; I83-V302 HydrophobicContact CD1-CG1 4.3Å; I83-V302 HydrophobicContact CD1-CG2 4.06Å; V302-G304 PolarHBondContact O-N 2.84Å; V302-A305 HydrophobicContact CB-CB 3.73Å; V302-A305 HydrophobicContact CG1-CB 3.73Å; V302-A305 WeakPolarHBondContact O-CB 3.15Å; V302-A305 PolarHBondContact O-N 2.85Å; V302-Y306 HydrophobicContact CB-CD1 4.32Å; V302-Y306 HydrophobicContact CB-CE1 4.09Å; V302-Y306 HydrophobicContact CG2-CE1 3.85Å; V302-Y306 PolarHBondContact N-O 2.86Å; V302-Y306 VanDerWaalsContact N-O 3.13Å; V302-Y306 PolarHBondContact O-N 2.94Å
303	P	82.7	Confident	89.6	Confident	78 Å²	78	24.5 Å²	24.5	51%	0.506	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	129.3	179.1	-30.4	37	0	0	0	112.9	N122 A305	N122-P303 WeakPolarHBondContact O-CB 3.39Å; P303-A305 PolarHBondContact O-N 2.72Å; P303-A305 VanDerWaalsContact O-N 3.16Å
304	G	80.3	Confident	89.6	Confident	42 Å²	42	26.6 Å²	26.6	43%	0.433	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-5.4	-179	0	0	0	0	0	115.3	G123 V302	G123-G304 PolarHBondContact O-N 3.34Å; V302-G304 PolarHBondContact O-N 2.84Å
305	A	83.4	Confident	89.5	Confident	2 Å²	2	24.9 Å²	24.9	2%	0.017	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-68.3	-176.9	0	0	0	0	0	112.8	I20 I83 F102 K103 V302 P303	I20-A305 VanDerWaalsContact CD1-CA 3.41Å; I20-A305 HydrophobicContact CD1-CB 3.23Å; I20-A305 HydrophobicContact CG1-CB 4.05Å; I83-A305 HydrophobicContact CD1-CB 3.52Å; F102-A305 WeakPolarHBondContact CA-O 3.35Å; K103-A305 PolarHBondContact N-O 3.24Å; K103-A305 VanDerWaalsContact N-O 3.13Å; V302-A305 HydrophobicContact CB-CB 3.73Å; V302-A305 HydrophobicContact CG1-CB 3.73Å; V302-A305 WeakPolarHBondContact O-CB 3.15Å; V302-A305 PolarHBondContact O-N 2.85Å; P303-A305 PolarHBondContact O-N 2.72Å; P303-A305 VanDerWaalsContact O-N 3.16Å
306	Y	88.5	Confident	89.2	Confident	28 Å²	28	27.1 Å²	27.1	11%	0.11	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154	175.1	76.4	-78.5	0	0	0	110.5	I83 L85 K103 G301 V302 V308	I83-Y306 HydrophobicContact CD1-CD1 3.74Å; I83-Y306 HydrophobicContact CD1-CE1 3.87Å; I83-Y306 HydrophobicContact CG2-CD1 4.19Å; I83-Y306 HydrophobicContact CG2-CE1 3.69Å; L85-Y306 HydrophobicContact CD2-CD1 4.29Å; L85-Y306 HydrophobicContact CD2-CD2 3.92Å; L85-Y306 HydrophobicContact CD2-CE1 3.96Å; L85-Y306 HydrophobicContact CD2-CE2 3.54Å; L85-Y306 HydrophobicContact CD2-CG 4.28Å; K103-Y306 CarbonylContact O-C 3.6Å; K103-Y306 WeakPolarHBondContact O-CA 3.35Å; G301-Y306 WeakPolarHBondContact CA-O 3.19Å; V302-Y306 HydrophobicContact CB-CD1 4.32Å; V302-Y306 HydrophobicContact CB-CE1 4.09Å; V302-Y306 HydrophobicContact CG2-CE1 3.85Å; V302-Y306 PolarHBondContact N-O 2.86Å; V302-Y306 VanDerWaalsContact N-O 3.13Å; V302-Y306 PolarHBondContact O-N 2.94Å; Y306-V308 HydrophobicContact CD2-CG2 3.8Å; Y306-V308 HydrophobicContact CE2-CG2 3.77Å
307	G	90.4	Very high	89	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.9	172.3	0	0	0	0	0	110.5	K103 H105 I124	K103-G307 PolarHBondContact O-N 3.49Å; H105-G307 PolarHBondContact N-O 3.21Å; I124-G307 WeakPolarHBondContact O-CA 3.19Å
308	V	90.6	Very high	88.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.8	174.8	-171.6	0	0	0	0	108.4	L89 H105 L299 Y300 Y306	L89-V308 HydrophobicContact CD1-CG2 4.01Å; L89-V308 HydrophobicContact CD2-CG1 3.92Å; L89-V308 HydrophobicContact CD2-CG2 4.3Å; H105-V308 HydrophobicContact CB-CB 4.44Å; H105-V308 HydrophobicContact CB-CG1 4.32Å; H105-V308 HydrophobicContact CB-CG2 4.09Å; H105-V308 WeakPolarHBondContact O-CA 3.48Å; L299-V308 WeakPolarHBondContact CA-O 3.33Å; Y300-V308 HydrophobicContact CD1-CB 4.46Å; Y300-V308 HydrophobicContact CD2-CB 4.3Å; Y300-V308 HydrophobicContact CE1-CB 3.97Å; Y300-V308 HydrophobicContact CE1-CG1 4.04Å; Y300-V308 HydrophobicContact CE2-CB 3.76Å; Y300-V308 HydrophobicContact CE2-CG1 4.36Å; Y300-V308 HydrophobicContact CE2-CG2 3.87Å; Y300-V308 PolarHBondContact N-O 2.9Å; Y300-V308 PolarHBondContact O-N 3.35Å; Y300-V308 WeakPolarHBondContact OH-CG1 3.42Å; Y306-V308 HydrophobicContact CD2-CG2 3.8Å; Y306-V308 HydrophobicContact CE2-CG2 3.77Å
309	V	92.4	Very high	88.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.9	173.8	-169.7	0	0	0	0	109.3	L104 H105 R106 P108 C297 L299	L104-V309 HydrophobicContact CD1-CG2 4.5Å; H105-V309 PolarHBondContact O-N 2.93Å; H105-V309 VanDerWaalsContact O-N 3.12Å; R106-V309 HydrophobicContact CB-CB 4.23Å; R106-V309 WeakPolarHBondContact CD-O 3.01Å; P108-V309 HydrophobicContact CB-CG1 3.98Å; C297-V309 HydrophobicContact CB-CG1 4Å; L299-V309 HydrophobicContact CD1-CG1 4.43Å; L299-V309 HydrophobicContact CD2-CG2 3.9Å; L299-V309 HydrophobicContact CG-CB 4.45Å; L299-V309 HydrophobicContact CG-CG1 4.37Å; L299-V309 HydrophobicContact CG-CG2 3.98Å
310	T	91.3	Very high	88.3	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.031	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-71.5	164.1	172.9	66.9	0	0	0	0	111.6	V298 Y300 F313 V327	V298-T310 HydrophobicContact CB-CG2 4.16Å; V298-T310 PolarHBondContact N-OG1 2.97Å; V298-T310 VanDerWaalsContact O-CG2 3.28Å; V298-T310 WeakPolarHBondContact O-CG2 3Å; V298-T310 PolarHBondContact O-N 3.16Å; V298-T310 PolarHBondContact O-OG1 3.37Å; Y300-T310 HydrophobicContact CD1-CG2 3.76Å; Y300-T310 HydrophobicContact CE1-CG2 3.68Å; T310-F313 HydrophobicContact CG2-CE2 4.36Å; T310-V327 HydrophobicContact CG2-CG1 4.19Å; T310-V327 HydrophobicContact CG2-CG2 4.07Å
311	M	89.1	Confident	88.2	Confident	113 Å²	113	33.7 Å²	33.7	56%	0.557	19%	0.19	S	C	*	.	P	Polyproline II helix	trans	-57.7	152	162.4	-60.6	-58.6	-70.5	0	0	110.7	F313	M311-F313 WeakPolarHBondContact O-CD2 3.3Å; M311-F313 WeakPolarHBondContact O-CE2 3.41Å; M311-F313 PolarHBondContact O-N 3.32Å
312	P	91.8	Very high	88.3	Confident	31 Å²	31	32.9 Å²	32.9	20%	0.201	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-65.9	129.3	177.6	26.1	-34.1	0	0	0	111.3	L116 F295	L116-P312 HydrophobicContact CD1-CB 4.41Å; F295-P312 HydrophobicContact CB-CB 4.42Å
313	F	92.4	Very high	88.5	Confident	24 Å²	24	30 Å²	30	11%	0.105	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	161.7	174.5	-66	-76	0	0	0	111	F295 I296 T310 M311 E317 I321 V327 T329	F295-F313 CarbonylContact C-O 3.6Å; F295-F313 WeakPolarHBondContact CA-O 3.38Å; I296-F313 PolarHBondContact N-O 3.46Å; I296-F313 PolarHBondContact O-N 2.85Å; T310-F313 HydrophobicContact CG2-CE2 4.36Å; M311-F313 WeakPolarHBondContact O-CD2 3.3Å; M311-F313 WeakPolarHBondContact O-CE2 3.41Å; M311-F313 PolarHBondContact O-N 3.32Å; F313-E317 HydrophobicContact CB-CB 4.36Å; F313-I321 HydrophobicContact CD1-CD1 3.91Å; F313-I321 HydrophobicContact CD2-CD1 4.02Å; F313-I321 HydrophobicContact CE1-CD1 3.85Å; F313-I321 HydrophobicContact CE2-CD1 3.94Å; F313-I321 HydrophobicContact CG-CD1 3.99Å; F313-I321 HydrophobicContact CZ-CD1 3.87Å; F313-V327 HydrophobicContact CZ-CG1 4.37Å; F313-T329 HydrophobicContact CE1-CG2 3.88Å; F313-T329 HydrophobicContact CZ-CG2 4.05Å
314	S	91.3	Very high	88.6	Confident	43 Å²	43	30 Å²	30	30%	0.301	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	149	165.9	72.1	0	0	0	0	110	R316 E317 G318	S314-R316 PolarHBondContact O-N 3.32Å; S314-R316 VanDerWaalsContact O-N 3.1Å; S314-E317 PolarHBondContact O-N 3.26Å; S314-E317 WeakPolarHBondContact OG-CB 3.19Å; S314-E317 VanDerWaalsContact OG-CG 3.32Å; S314-E317 WeakPolarHBondContact OG-CG 3.43Å; S314-E317 PolarHBondContact OG-OE2 2.93Å; S314-G318 PolarHBondContact O-N 3.28Å
315	V	89.9	Confident	88.8	Confident	12 Å²	12	28 Å²	28	7%	0.073	14%	0.139	C	C	.	.	H	α-helix	trans	-49.4	-43.4	-176.9	174.8	0	0	0	0	113.3	D290 S293 D294 I296 I319	D290-V315 HydrophobicContact CB-CG1 3.92Å; D290-V315 WeakPolarHBondContact OD1-CG1 3.48Å; S293-V315 VanDerWaalsContact O-CG2 3.26Å; S293-V315 WeakPolarHBondContact O-CG2 3.38Å; D294-V315 WeakPolarHBondContact O-CG2 3.47Å; I296-V315 HydrophobicContact CD1-CB 4.1Å; I296-V315 HydrophobicContact CD1-CG1 3.78Å; I296-V315 HydrophobicContact CD1-CG2 4.24Å; I296-V315 HydrophobicContact CG1-CG2 4.24Å; V315-I319 HydrophobicContact CG1-CD1 3.92Å; V315-I319 VanDerWaalsContact O-CG1 3.31Å; V315-I319 WeakPolarHBondContact O-CG1 3.45Å; V315-I319 PolarHBondContact O-N 3.35Å; V315-I319 VanDerWaalsContact O-N 3.15Å
316	R	87	Confident	89	Confident	102 Å²	102	31.1 Å²	31.1	39%	0.385	15%	0.152	S	C	.	.	H	α-helix	trans	-66.9	-46.4	-178.8	-172.8	-177.9	-173	-151.3	-9	111.5	S314 N320 D580	S314-R316 PolarHBondContact O-N 3.32Å; S314-R316 VanDerWaalsContact O-N 3.1Å; R316-N320 WeakPolarHBondContact O-CB 3.31Å; R316-N320 PolarHBondContact O-N 3.17Å; R316-N320 PolarHBondContact O-ND2 2.99Å; R316-D580 IonicContact CZ-OD2 3.71Å; R316-D580 IonicContact NE-OD2 3.61Å; R316-D580 PolarHBondContact NE-OD2 2.88Å; R316-D580 IonicContact NH2-OD1 3.15Å; R316-D580 IonicContact NH2-OD2 2.84Å; R316-D580 PolarHBondContact NH2-OD2 3.13Å
317	E	88.6	Confident	88.8	Confident	111 Å²	111	29.8 Å²	29.8	52%	0.519	15%	0.147	S	C	.	.	H	α-helix	trans	-68.1	-45.4	-179.9	-70	164.2	164.1	0	0	110.8	F313 S314 I319 N320 I321	F313-E317 HydrophobicContact CB-CB 4.36Å; S314-E317 PolarHBondContact O-N 3.26Å; S314-E317 WeakPolarHBondContact OG-CB 3.19Å; S314-E317 VanDerWaalsContact OG-CG 3.32Å; S314-E317 WeakPolarHBondContact OG-CG 3.43Å; S314-E317 PolarHBondContact OG-OE2 2.93Å; E317-I319 PolarHBondContact O-N 3.13Å; E317-N320 PolarHBondContact O-N 2.92Å; E317-I321 WeakPolarHBondContact O-CB 3.24Å; E317-I321 VanDerWaalsContact O-CG1 3.27Å; E317-I321 WeakPolarHBondContact O-CG1 3.27Å; E317-I321 PolarHBondContact O-N 2.86Å
318	G	89	Confident	88.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-44.8	-179.5	0	0	0	0	0	113.1	V298 S314 I321 F322	V298-G318 WeakPolarHBondContact CG2-O 3.27Å; S314-G318 PolarHBondContact O-N 3.28Å; G318-I321 PolarHBondContact O-N 3.4Å; G318-F322 WeakPolarHBondContact O-CB 3.19Å; G318-F322 PolarHBondContact O-N 3.01Å
319	I	88.4	Confident	88	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.4	-36.4	177.5	-58	167.2	0	0	0	111.4	L286 D290 I296 V315 E317 F322 L323	L286-I319 HydrophobicContact CB-CG2 4.43Å; L286-I319 HydrophobicContact CD1-CG2 4.09Å; L286-I319 HydrophobicContact CD2-CG2 4.11Å; L286-I319 HydrophobicContact CG-CG2 4.45Å; D290-I319 HydrophobicContact CB-CD1 4.04Å; I296-I319 HydrophobicContact CD1-CD1 3.81Å; I296-I319 HydrophobicContact CD1-CG1 3.56Å; V315-I319 HydrophobicContact CG1-CD1 3.92Å; V315-I319 VanDerWaalsContact O-CG1 3.31Å; V315-I319 WeakPolarHBondContact O-CG1 3.45Å; V315-I319 PolarHBondContact O-N 3.35Å; V315-I319 VanDerWaalsContact O-N 3.15Å; E317-I319 PolarHBondContact O-N 3.13Å; I319-F322 PolarHBondContact O-N 3.26Å; I319-L323 HydrophobicContact CG2-CD1 3.87Å; I319-L323 HydrophobicContact CG2-CG 4.24Å; I319-L323 VanDerWaalsContact O-CG 3.3Å; I319-L323 WeakPolarHBondContact O-CG 3.35Å; I319-L323 PolarHBondContact O-N 3.28Å
320	N	87.5	Confident	87.2	Confident	19 Å²	19	39.8 Å²	39.8	10%	0.102	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-43.5	176.2	-72.7	-7.5	0	0	0	111.3	R316 E317 F322 L323 D324 N583	R316-N320 WeakPolarHBondContact O-CB 3.31Å; R316-N320 PolarHBondContact O-N 3.17Å; R316-N320 PolarHBondContact O-ND2 2.99Å; E317-N320 PolarHBondContact O-N 2.92Å; N320-F322 VanDerWaalsContact C-N 3.29Å; N320-F322 PolarHBondContact O-N 3.03Å; N320-L323 PolarHBondContact O-N 2.81Å; N320-D324 WeakPolarHBondContact O-CB 3.41Å; N320-D324 PolarHBondContact O-N 2.98Å; N320-N583 PolarHBondContact OD1-ND2 3Å
321	I	88.4	Confident	86.5	Confident	15 Å²	15	46 Å²	46	8%	0.077	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-43.7	172.3	-72.5	166.8	0	0	0	111	V298 F313 E317 G318 L323 G325 V327 P328	V298-I321 HydrophobicContact CG2-CG2 4.48Å; F313-I321 HydrophobicContact CD1-CD1 3.91Å; F313-I321 HydrophobicContact CD2-CD1 4.02Å; F313-I321 HydrophobicContact CE1-CD1 3.85Å; F313-I321 HydrophobicContact CE2-CD1 3.94Å; F313-I321 HydrophobicContact CG-CD1 3.99Å; F313-I321 HydrophobicContact CZ-CD1 3.87Å; E317-I321 WeakPolarHBondContact O-CB 3.24Å; E317-I321 VanDerWaalsContact O-CG1 3.27Å; E317-I321 WeakPolarHBondContact O-CG1 3.27Å; E317-I321 PolarHBondContact O-N 2.86Å; G318-I321 PolarHBondContact O-N 3.4Å; I321-L323 PolarHBondContact O-N 3.28Å; I321-G325 PolarHBondContact O-N 3.08Å; I321-V327 HydrophobicContact CG2-CB 4.44Å; I321-V327 HydrophobicContact CG2-CG2 3.91Å; I321-P328 HydrophobicContact CD1-CG 4.26Å; I321-P328 HydrophobicContact CG1-CG 4.41Å
322	F	88.2	Confident	86	Confident	3 Å²	3	42.1 Å²	42.1	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-39.8	177.7	179.2	-104	0	0	0	113.2	V119 L286 V298 G318 I319 N320 R335 S505	V119-F322 HydrophobicContact CG1-CB 4.49Å; V119-F322 HydrophobicContact CG1-CD2 4.39Å; V119-F322 HydrophobicContact CG1-CG 4.39Å; V119-F322 HydrophobicContact CG2-CD1 4.23Å; V119-F322 HydrophobicContact CG2-CD2 4.3Å; V119-F322 HydrophobicContact CG2-CE1 4.26Å; V119-F322 HydrophobicContact CG2-CE2 4.33Å; V119-F322 HydrophobicContact CG2-CG 4.25Å; V119-F322 HydrophobicContact CG2-CZ 4.31Å; L286-F322 HydrophobicContact CD1-CD1 4.49Å; L286-F322 HydrophobicContact CD2-CD1 4.13Å; L286-F322 HydrophobicContact CD2-CE1 4.32Å; V298-F322 HydrophobicContact CG1-CB 4.36Å; V298-F322 HydrophobicContact CG1-CD2 3.9Å; V298-F322 HydrophobicContact CG2-CB 4.2Å; G318-F322 WeakPolarHBondContact O-CB 3.19Å; G318-F322 PolarHBondContact O-N 3.01Å; I319-F322 PolarHBondContact O-N 3.26Å; N320-F322 VanDerWaalsContact C-N 3.29Å; N320-F322 PolarHBondContact O-N 3.03Å; F322-R335 PolarHBondContact O-NH1 2.85Å; F322-S505 VanDerWaalsContact CE1-OG 3.27Å; F322-S505 WeakPolarHBondContact CE1-OG 3.47Å; F322-S505 WeakPolarHBondContact CZ-OG 3.34Å
323	L	86.3	Confident	85.5	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-75.6	-40.4	179.1	-69	168.5	0	0	0	112.3	L286 I319 N320 I321 G325 L339 F341 N583	L286-L323 HydrophobicContact CD1-CD2 3.91Å; L286-L323 HydrophobicContact CD1-CG 4.43Å; I319-L323 HydrophobicContact CG2-CD1 3.87Å; I319-L323 HydrophobicContact CG2-CG 4.24Å; I319-L323 VanDerWaalsContact O-CG 3.3Å; I319-L323 WeakPolarHBondContact O-CG 3.35Å; I319-L323 PolarHBondContact O-N 3.28Å; N320-L323 PolarHBondContact O-N 2.81Å; I321-L323 PolarHBondContact O-N 3.28Å; L323-G325 VanDerWaalsContact C-N 3.25Å; L323-G325 PolarHBondContact O-N 2.76Å; L323-L339 HydrophobicContact CD2-CB 3.93Å; L323-L339 HydrophobicContact CD2-CD1 4.29Å; L323-L339 PolarHBondContact O-N 3.45Å; L323-F341 HydrophobicContact CD1-CE2 3.76Å; L323-F341 HydrophobicContact CD2-CE2 3.71Å; L323-F341 HydrophobicContact CD2-CZ 3.82Å; L323-F341 HydrophobicContact CG-CE2 4.39Å; L323-N583 WeakPolarHBondContact CD1-ND2 3.35Å
324	D	85.2	Confident	85	Confident	80 Å²	80	49.1 Å²	49.1	43%	0.428	24%	0.244	S	C	.	.	H	α-helix	trans	-69.6	-24.6	179.2	-68.8	-19.4	0	0	0	112.2	N320 F326	N320-D324 WeakPolarHBondContact O-CB 3.41Å; N320-D324 PolarHBondContact O-N 2.98Å; D324-F326 VanDerWaalsContact C-N 3.31Å
325	G	85.5	Confident	84.5	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	14.3	179.4	0	0	0	0	0	114.1	I321 L323 R333 F334 R335	I321-G325 PolarHBondContact O-N 3.08Å; L323-G325 VanDerWaalsContact C-N 3.25Å; L323-G325 PolarHBondContact O-N 2.76Å; G325-R333 CarbonylContact O-C 3.6Å; G325-R333 WeakPolarHBondContact O-CA 3.25Å; G325-F334 PolarHBondContact O-N 3.25Å; G325-R335 PolarHBondContact O-N 3.02Å
326	F	86.5	Confident	83.8	Confident	66 Å²	66	56.3 Å²	56.3	29%	0.289	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.1	-173.2	176	-107.9	0	0	0	111.4	D324 P328 R333	D324-F326 VanDerWaalsContact C-N 3.31Å; F326-P328 HydrophobicContact CD1-CB 4.43Å; F326-P328 HydrophobicContact CE1-CB 3.94Å; F326-P328 VanDerWaalsContact O-CD 3.32Å; F326-P328 WeakPolarHBondContact O-CD 3.45Å; F326-R333 HydrophobicContact CD2-CB 4.03Å
327	V	85.5	Confident	83.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	104.9	176.5	-174.9	0	0	0	0	109.1	Y300 T310 F313 I321 T329 E330 N331 L332 F334	Y300-V327 HydrophobicContact CD1-CG2 4.25Å; Y300-V327 HydrophobicContact CE1-CG2 4.3Å; T310-V327 HydrophobicContact CG2-CG1 4.19Å; T310-V327 HydrophobicContact CG2-CG2 4.07Å; F313-V327 HydrophobicContact CZ-CG1 4.37Å; I321-V327 HydrophobicContact CG2-CB 4.44Å; I321-V327 HydrophobicContact CG2-CG2 3.91Å; V327-T329 VanDerWaalsContact C-N 3.32Å; V327-T329 WeakPolarHBondContact CG1-OG1 3.44Å; V327-T329 PolarHBondContact O-N 3.36Å; V327-E330 HydrophobicContact CB-CB 4.48Å; V327-E330 HydrophobicContact CG1-CB 4.14Å; V327-E330 HydrophobicContact CG1-CG 4.11Å; V327-E330 PolarHBondContact O-N 3.25Å; V327-N331 PolarHBondContact O-N 3.11Å; V327-L332 PolarHBondContact N-O 2.86Å; V327-L332 PolarHBondContact O-N 2.88Å; V327-F334 HydrophobicContact CG2-CD1 3.92Å; V327-F334 HydrophobicContact CG2-CE1 3.77Å
328	P	81.7	Confident	83.1	Confident	66 Å²	66	52.7 Å²	52.7	43%	0.429	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.4	-173.4	26.4	-34.6	0	0	0	113.5	I321 F326 E330 N331	I321-P328 HydrophobicContact CD1-CG 4.26Å; I321-P328 HydrophobicContact CG1-CG 4.41Å; F326-P328 HydrophobicContact CD1-CB 4.43Å; F326-P328 HydrophobicContact CE1-CB 3.94Å; F326-P328 VanDerWaalsContact O-CD 3.32Å; F326-P328 WeakPolarHBondContact O-CD 3.45Å; P328-E330 VanDerWaalsContact C-N 3.29Å; P328-E330 PolarHBondContact O-N 3.29Å; P328-N331 PolarHBondContact O-OD1 2.77Å
329	T	81.5	Confident	82.4	Confident	92 Å²	92	53.4 Å²	53.4	56%	0.564	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-26.2	179.2	51.8	0	0	0	0	113	F313 V327	F313-T329 HydrophobicContact CE1-CG2 3.88Å; F313-T329 HydrophobicContact CZ-CG2 4.05Å; V327-T329 VanDerWaalsContact C-N 3.32Å; V327-T329 WeakPolarHBondContact CG1-OG1 3.44Å; V327-T329 PolarHBondContact O-N 3.36Å
330	E	75.6	Confident	81.6	Confident	53 Å²	53	56.6 Å²	56.6	25%	0.248	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-3.1	-177.5	-61.4	-175.7	-176	0	0	112.2	R106 Y300 V327 P328 L332	R106-E330 IonicContact CZ-OE1 2.63Å; R106-E330 IonicContact NH1-OE1 3.84Å; R106-E330 PolarHBondContact NH1-OE1 3.21Å; Y300-E330 PolarHBondContact OH-OE2 3.28Å; V327-E330 HydrophobicContact CB-CB 4.48Å; V327-E330 HydrophobicContact CG1-CB 4.14Å; V327-E330 HydrophobicContact CG1-CG 4.11Å; V327-E330 PolarHBondContact O-N 3.25Å; P328-E330 VanDerWaalsContact C-N 3.29Å; P328-E330 PolarHBondContact O-N 3.29Å; E330-L332 HydrophobicContact CB-CB 4.23Å; E330-L332 PolarHBondContact O-N 3.27Å
331	N	77	Confident	80.7	Confident	134 Å²	134	56.6 Å²	56.6	72%	0.717	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	37.6	-171.1	-73.1	-29.2	0	0	0	112.9	V327 P328	V327-N331 PolarHBondContact O-N 3.11Å; P328-N331 PolarHBondContact O-OD1 2.77Å
332	L	77.7	Confident	79.4	Confident	32 Å²	32	62.3 Å²	62.3	17%	0.168	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.3	-175.4	-168.9	149.3	0	0	0	110.6	Y300 V327 E330 F334	Y300-L332 HydrophobicContact CD2-CD2 3.84Å; Y300-L332 HydrophobicContact CE2-CD1 3.87Å; Y300-L332 HydrophobicContact CE2-CD2 3.52Å; Y300-L332 HydrophobicContact CE2-CG 4.32Å; V327-L332 PolarHBondContact N-O 2.86Å; V327-L332 PolarHBondContact O-N 2.88Å; E330-L332 HydrophobicContact CB-CB 4.23Å; E330-L332 PolarHBondContact O-N 3.27Å; L332-F334 HydrophobicContact CD2-CB 3.9Å
333	R	81.5	Confident	77.8	Confident	150 Å²	150	65.4 Å²	65.4	57%	0.566	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	114	170.4	-176.3	176.8	-70.4	-91.6	-1.2	108.7	G325 F326 R335	G325-R333 CarbonylContact O-C 3.6Å; G325-R333 WeakPolarHBondContact O-CA 3.25Å; F326-R333 HydrophobicContact CD2-CB 4.03Å; R333-R335 WeakPolarHBondContact CD-O 3.32Å; R333-R335 WeakPolarHBondContact CG-O 3.44Å
334	F	82.8	Confident	75.9	Confident	53 Å²	53	68.5 Å²	68.5	23%	0.232	36%	0.364	C	S	.	.			trans	-99.7	-8.9	178.8	62.7	-95.1	0	0	0	112.9	V298 Y300 G325 V327 L332	V298-F334 HydrophobicContact CG1-CZ 4.44Å; Y300-F334 HydrophobicContact CD2-CB 4.06Å; Y300-F334 HydrophobicContact CG-CB 4.18Å; Y300-F334 HydrophobicContact CG-CD1 4.15Å; Y300-F334 HydrophobicContact CG-CG 4.23Å; G325-F334 PolarHBondContact O-N 3.25Å; V327-F334 HydrophobicContact CG2-CD1 3.92Å; V327-F334 HydrophobicContact CG2-CE1 3.77Å; L332-F334 HydrophobicContact CD2-CB 3.9Å
335	R	80.9	Confident	73.8	Confident	19 Å²	19	72 Å²	72	7%	0.072	38%	0.383	C	S	.	.			trans	-136	138.9	172.7	-166.8	-173.2	-68.8	129	1.9	111	F322 G325 R333 S337 L339 E506	F322-R335 PolarHBondContact O-NH1 2.85Å; G325-R335 PolarHBondContact O-N 3.02Å; R333-R335 WeakPolarHBondContact CD-O 3.32Å; R333-R335 WeakPolarHBondContact CG-O 3.44Å; R335-S337 WeakPolarHBondContact CD-O 3.27Å; R335-S337 WeakPolarHBondContact CG-O 3.36Å; R335-L339 VanDerWaalsContact NH1-CD1 3.26Å; R335-E506 IonicContact CZ-OE1 3.22Å; R335-E506 IonicContact CZ-OE2 2.85Å; R335-E506 IonicContact NE-OE1 3.56Å; R335-E506 PolarHBondContact NE-OE1 3.16Å; R335-E506 IonicContact NE-OE2 3.48Å; R335-E506 PolarHBondContact NE-OE2 3.46Å; R335-E506 IonicContact NH2-OE1 2.89Å; R335-E506 IonicContact NH2-OE2 3.27Å; R335-E506 PolarHBondContact NH2-OE2 3.22Å
336	E	75.8	Confident	71.6	Confident	186 Å²	186	80 Å²	80	87%	0.869	42%	0.42	S	S	*	.	S	Bend	trans	-69.2	-47.5	-179.3	-64.7	-173.2	168.6	0	0	112.2
337	S	78.3	Confident	69.2	Low	67 Å²	67	80.3 Å²	80.3	47%	0.469	43%	0.43	S	S	.	.	S	Bend	trans	-101.7	138.4	-179.8	59.7	0	0	0	0	112.5	R335	R335-S337 WeakPolarHBondContact CD-O 3.27Å; R335-S337 WeakPolarHBondContact CG-O 3.36Å
338	S	81.1	Confident	67.1	Low	71 Å²	71	86.9 Å²	86.9	50%	0.497	46%	0.464	S	S	.	.			trans	-73.8	149.7	168.1	57.2	0	0	0	0	111.3
339	L	75.7	Confident	65.1	Low	15 Å²	15	90.8 Å²	90.8	8%	0.079	48%	0.482	C	S	.	.			trans	-93.7	102.3	175.7	-60.6	-178.2	0	0	0	108.9	L323 R335 L509	L323-L339 HydrophobicContact CD2-CB 3.93Å; L323-L339 HydrophobicContact CD2-CD1 4.29Å; L323-L339 PolarHBondContact O-N 3.45Å; R335-L339 VanDerWaalsContact NH1-CD1 3.26Å; L339-L509 HydrophobicContact CB-CD2 3.65Å; L339-L509 HydrophobicContact CD1-CD2 3.92Å; L339-L509 HydrophobicContact CD2-CD2 3.76Å; L339-L509 HydrophobicContact CG-CD2 3.94Å
340	S	70.3	Confident	63.2	Low	67 Å²	67	93.4 Å²	93.4	47%	0.469	49%	0.488	S	S	.	.			trans	-102.6	135.3	178.3	71.2	0	0	0	0	112.2	K342	S340-K342 VanDerWaalsContact C-N 3.31Å
341	F	68.5	Low	61.5	Low	18 Å²	18	99.2 Å²	99.2	8%	0.079	52%	0.515	C	S	.	.			trans	-93.8	20.3	174.1	-58.2	-72.2	0	0	0	113.3	L323 V343 L509 I534 R585	L323-F341 HydrophobicContact CD1-CE2 3.76Å; L323-F341 HydrophobicContact CD2-CE2 3.71Å; L323-F341 HydrophobicContact CD2-CZ 3.82Å; L323-F341 HydrophobicContact CG-CE2 4.39Å; F341-V343 PolarHBondContact O-N 3.3Å; F341-L509 HydrophobicContact CE1-CD1 4.12Å; F341-L509 HydrophobicContact CE1-CD2 4.16Å; F341-L509 HydrophobicContact CZ-CD2 4.5Å; F341-I534 HydrophobicContact CD1-CG2 3.78Å; F341-I534 HydrophobicContact CE1-CG2 3.08Å; F341-I534 HydrophobicContact CZ-CG2 3.69Å; F341-R585 HydrophobicContact CD2-CB 3.63Å; F341-R585 HydrophobicContact CD2-CG 3.85Å; F341-R585 HydrophobicContact CE2-CB 3.89Å; F341-R585 HydrophobicContact CE2-CG 3.66Å; F341-R585 HydrophobicContact CZ-CG 4.41Å
342	K	61.6	Low	60.3	Low	136 Å²	136	96.9 Å²	96.9	59%	0.591	50%	0.501	S	S	*	.			trans	-59.6	109.2	173.2	-77.9	-172.3	176.2	-177.3	0	107.6	S340 S344 F584	S340-K342 VanDerWaalsContact C-N 3.31Å; K342-S344 PolarHBondContact O-N 3.44Å; K342-S344 VanDerWaalsContact O-N 3.1Å; K342-F584 HydrophobicContact CD-CE2 4.47Å; K342-F584 HydrophobicContact CG-CD2 3.77Å; K342-F584 HydrophobicContact CG-CE2 4.12Å; K342-F584 HydrophobicContact CG-CG 4.46Å
343	V	55.4	Low	58.9	Low	67 Å²	67	103.4 Å²	103.4	41%	0.406	53%	0.528	S	S	.	.			trans	-54.6	117.4	159.4	-178	0	0	0	0	103.7	F341 D345	F341-V343 PolarHBondContact O-N 3.3Å; V343-D345 PolarHBondContact O-N 3.15Å
344	S	46.4	Very low	57.9	Low	67 Å²	67	103.6 Å²	103.6	47%	0.469	53%	0.529	S	S	.	.			trans	-59.4	94.2	176.9	44.8	0	0	0	0	108.4	K342 Q346	K342-S344 PolarHBondContact O-N 3.44Å; K342-S344 VanDerWaalsContact O-N 3.1Å; S344-Q346 PolarHBondContact O-N 3.46Å
345	D	40.5	Very low	56.8	Low	154 Å²	154	107 Å²	107	82%	0.824	55%	0.554	S	S	*	*			trans	-67.2	9.9	145.1	-84	-18.3	0	0	0	110.4	V343 S347	V343-D345 PolarHBondContact O-N 3.15Å; D345-S347 PolarHBondContact O-N 3.07Å; D345-S347 PolarHBondContact O-OG 2.72Å; D345-S347 VanDerWaalsContact O-OG 3.09Å
346	Q	38.8	Very low	56.1	Low	167 Å²	167	107.9 Å²	107.9	78%	0.78	56%	0.563	S	S	*	*			trans	-69.1	78.2	149.4	-68.2	-176.7	-9.3	0	0	107.6	S344 L348	S344-Q346 PolarHBondContact O-N 3.46Å; Q346-L348 PolarHBondContact O-N 2.95Å
347	S	37.1	Very low	56.1	Low	73 Å²	73	108.1 Å²	108.1	51%	0.51	56%	0.556	S	S	.	*				-17	90.2	120.4	42	0	0	0	0	112.1	D345 D349	D345-S347 PolarHBondContact O-N 3.07Å; D345-S347 PolarHBondContact O-OG 2.72Å; D345-S347 VanDerWaalsContact O-OG 3.09Å; S347-D349 WeakPolarHBondContact CB-OD2 3.3Å; S347-D349 PolarHBondContact O-N 2.99Å
348	L	40.2	Very low	56.4	Low	137 Å²	137	108 Å²	108	72%	0.717	55%	0.546	S	S	*	.				-68.2	80.2	120.8	-86	151.9	0	0	0	105.1	Q346 E350	Q346-L348 PolarHBondContact O-N 2.95Å; L348-E350 PolarHBondContact O-N 2.9Å; L348-E350 VanDerWaalsContact O-O 3.09Å
349	D	39.9	Very low	56.7	Low	148 Å²	148	108.7 Å²	108.7	79%	0.791	54%	0.541	S	S	*	.			trans	-70.4	33.1	162.3	-85.2	-28.7	0	0	0	109.8	S347 Q351	S347-D349 WeakPolarHBondContact CB-OD2 3.3Å; S347-D349 PolarHBondContact O-N 2.99Å; D349-Q351 PolarHBondContact O-N 3.23Å
350	E	41.8	Very low	57.2	Low	147 Å²	147	108 Å²	108	69%	0.687	54%	0.538	S	S	*	.	S	Bend	trans	-74.8	113.7	143	-75.5	-169.4	166.3	0	0	104.2	L348 I352	L348-E350 PolarHBondContact O-N 2.9Å; L348-E350 VanDerWaalsContact O-O 3.09Å; E350-I352 PolarHBondContact O-N 2.8Å
351	Q	40.9	Very low	58.1	Low	175 Å²	175	105.9 Å²	105.9	82%	0.818	52%	0.522	S	S	*	.			trans	-51	90.6	163.8	-71.7	178.9	-11.3	0	0	107.5	D349 K353	D349-Q351 PolarHBondContact O-N 3.23Å; Q351-K353 PolarHBondContact O-N 3.2Å
352	I	51.1	Low	59.1	Low	85 Å²	85	107.7 Å²	107.7	44%	0.436	54%	0.537	S	S	.	.			trans	-64.1	94.7	165.6	-61	175.2	0	0	0	102.1	E350 R354	E350-I352 PolarHBondContact O-N 2.8Å; I352-R354 VanDerWaalsContact C-N 3.28Å; I352-R354 PolarHBondContact O-N 3.28Å
353	K	47.2	Very low	60.4	Low	169 Å²	169	101.3 Å²	101.3	74%	0.735	51%	0.509	S	S	*	.			trans	-54.4	103.8	169.5	-79	-177.1	175.9	178.9	0	104.3	Q351 V355	Q351-K353 PolarHBondContact O-N 3.2Å; K353-V355 HydrophobicContact CB-CG2 4.03Å; K353-V355 WeakPolarHBondContact O-CG2 3.19Å; K353-V355 PolarHBondContact O-N 2.86Å
354	R	60.8	Low	62.1	Low	154 Å²	154	101.3 Å²	101.3	58%	0.581	50%	0.504	S	S	*	.			trans	-67.7	90.9	170.5	-66.5	179.2	-178.5	-178.3	-1.7	105.3	I352	I352-R354 VanDerWaalsContact C-N 3.28Å; I352-R354 PolarHBondContact O-N 3.28Å
355	V	59.5	Low	64.1	Low	125 Å²	125	99.5 Å²	99.5	76%	0.758	49%	0.487	S	S	*	.			trans	-77.2	-39.5	-166.6	-172.5	0	0	0	0	110.7	K353	K353-V355 HydrophobicContact CB-CG2 4.03Å; K353-V355 WeakPolarHBondContact O-CG2 3.19Å; K353-V355 PolarHBondContact O-N 2.86Å
356	S	67.6	Low	66.4	Low	38 Å²	38	98.3 Å²	98.3	27%	0.266	48%	0.475	S	S	.	.			trans	-111	130.3	-175.1	-30.2	0	0	0	0	111.1	D381	S356-D381 WeakPolarHBondContact CB-OD2 3.36Å; S356-D381 PolarHBondContact OG-OD2 2.91Å
357	R	76	Confident	68.6	Low	190 Å²	190	93.8 Å²	93.8	72%	0.717	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.4	166.9	-63.3	-175.3	-174.3	176.8	3.2	107.4	T380	R357-T380 HydrophobicContact CG-CG2 4.23Å
358	Y	84.3	Confident	70.8	Confident	64 Å²	64	93.2 Å²	93.2	25%	0.251	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150	171.3	-61.4	-80.8	0	0	0	108.8	E378 F379 D381 P416 L418	Y358-E378 CarbonylContact O-C 3.49Å; Y358-E378 WeakPolarHBondContact O-CA 3.48Å; Y358-F379 VanDerWaalsContact CB-CE1 3.49Å; Y358-F379 HydrophobicContact CD2-CD2 4.02Å; Y358-F379 AromaticContact CD2-CE2 3.62Å; Y358-F379 HydrophobicContact CD2-CE2 3.62Å; Y358-F379 HydrophobicContact CD2-CZ 4.28Å; Y358-F379 HydrophobicContact CG-CD2 4.3Å; Y358-F379 AromaticContact CG-CE2 3.68Å; Y358-F379 HydrophobicContact CG-CE2 3.68Å; Y358-F379 AromaticContact CG-CZ 3.85Å; Y358-F379 HydrophobicContact CG-CZ 3.85Å; Y358-F379 PolarHBondContact N-O 3.38Å; Y358-F379 PolarHBondContact O-N 3.06Å; Y358-D381 WeakPolarHBondContact CE2-OD1 3.42Å; Y358-P416 HydrophobicContact CD1-CB 4.23Å; Y358-P416 HydrophobicContact CD1-CG 4.41Å; Y358-L418 HydrophobicContact CD1-CD1 4Å; Y358-L418 HydrophobicContact CD2-CD1 4.45Å; Y358-L418 HydrophobicContact CE1-CD1 4.08Å; Y358-L418 HydrophobicContact CE1-CD2 3.84Å; Y358-L418 HydrophobicContact CE1-CG 4.37Å; Y358-L418 HydrophobicContact CG-CD1 4.19Å
359	H	86.1	Confident	72.8	Confident	87 Å²	87	94.1 Å²	94.1	40%	0.403	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.2	180	-178.3	79.2	0	0	0	108.6	D376 G377	H359-D376 IonicContact CE1-OD2 3.86Å; H359-G377 WeakPolarHBondContact CA-O 3.46Å; H359-G377 PolarHBondContact ND1-O 3.13Å
360	Y	88.2	Confident	74.9	Confident	1 Å²	1	88.2 Å²	88.2	0%	0.004	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.4	165.7	62.2	-95.6	0	0	0	108.6	M363 V374 E375 G377 F379 M398 P559	Y360-M363 HydrophobicContact CD2-CE 4.27Å; Y360-V374 HydrophobicContact CD2-CG1 4.42Å; Y360-V374 HydrophobicContact CE2-CG1 3.92Å; Y360-E375 VanDerWaalsContact CE2-O 3.29Å; Y360-E375 WeakPolarHBondContact CE2-O 3.45Å; Y360-G377 VanDerWaalsContact CD1-O 3.31Å; Y360-G377 WeakPolarHBondContact CD1-O 3.49Å; Y360-G377 PolarHBondContact N-O 2.95Å; Y360-G377 PolarHBondContact O-N 2.91Å; Y360-F379 AromaticContact CD1-CD1 3.86Å; Y360-F379 HydrophobicContact CD1-CD1 3.86Å; Y360-F379 HydrophobicContact CD1-CE1 4.11Å; Y360-F379 HydrophobicContact CE1-CD1 4.37Å; Y360-M398 HydrophobicContact CE2-CE 4.26Å; Y360-P559 HydrophobicContact CE1-CG 4.32Å; Y360-P559 VanDerWaalsContact OH-CD 3.31Å; Y360-P559 WeakPolarHBondContact OH-CD 3.37Å; Y360-P559 VanDerWaalsContact OH-CG 3.3Å; Y360-P559 WeakPolarHBondContact OH-CG 3.49Å
361	P	88.2	Confident	77.2	Confident	21 Å²	21	85.5 Å²	85.5	14%	0.136	42%	0.421	C	S	.	.			trans	-73.3	167	-177.7	31.6	-35.8	0	0	0	111.5	M363 G413	P361-M363 PolarHBondContact O-N 3Å; P361-G413 VanDerWaalsContact CG-O 3.31Å; P361-G413 WeakPolarHBondContact CG-O 3.33Å
362	S	89.3	Confident	79.6	Confident	57 Å²	57	77.1 Å²	77.1	40%	0.399	38%	0.382	S	S	.	.			trans	-59.6	132.7	167.6	-179.2	0	0	0	0	109.9	V374 S412	S362-V374 CarbonylContact C-O 3.49Å; S362-V374 WeakPolarHBondContact CA-O 3.26Å; S362-V374 PolarHBondContact OG-O 2.76Å; S362-V374 VanDerWaalsContact OG-O 3.12Å; S362-S412 WeakPolarHBondContact O-CB 3.32Å
363	M	89.4	Confident	81.6	Confident	2 Å²	2	75 Å²	75	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.5	-177.5	-68.4	175.4	-76.8	0	0	110	Y360 P361 V374 P408 I415	Y360-M363 HydrophobicContact CD2-CE 4.27Å; P361-M363 PolarHBondContact O-N 3Å; M363-V374 HydrophobicContact CB-CB 4.29Å; M363-V374 HydrophobicContact CE-CG1 4.2Å; M363-V374 PolarHBondContact N-O 3.03Å; M363-V374 PolarHBondContact O-N 3.06Å; M363-P408 HydrophobicContact CB-CB 4.37Å; M363-P408 HydrophobicContact CG-CB 4.33Å; M363-I415 HydrophobicContact SD-CD1 4.04Å
364	K	90.5	Very high	83.7	Confident	67 Å²	67	67 Å²	67	29%	0.291	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.1	167.6	-66.8	-169.3	-154.8	142.5	0	111.4	L372 T373 D409 E410	K364-L372 CarbonylContact C-O 3.52Å; K364-L372 WeakPolarHBondContact CA-O 3.38Å; K364-T373 HydrophobicContact CG-CG2 4.24Å; K364-D409 PolarHBondContact O-N 3.02Å; K364-E410 WeakPolarHBondContact CE-OE2 3.39Å; K364-E410 IonicContact NZ-OE1 2.78Å; K364-E410 PolarHBondContact NZ-OE1 2.99Å; K364-E410 IonicContact NZ-OE2 2.67Å; K364-E410 PolarHBondContact NZ-OE2 3.34Å
365	K	89	Confident	85.2	Confident	28 Å²	28	63 Å²	63	12%	0.122	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	124.9	174.3	-170	65.8	-176.5	173.1	0	112	L367 L372 T397 L401 Q407 D409	K365-L367 HydrophobicContact CG-CD2 4.46Å; K365-L367 HydrophobicContact CG-CG 4.22Å; K365-L372 PolarHBondContact N-O 3.43Å; K365-L372 PolarHBondContact O-N 3.3Å; K365-T397 HydrophobicContact CG-CG2 4.38Å; K365-L401 HydrophobicContact CB-CD1 4.09Å; K365-L401 HydrophobicContact CB-CD2 4.35Å; K365-L401 HydrophobicContact CD-CD2 4.31Å; K365-L401 HydrophobicContact CG-CD2 4.29Å; K365-Q407 VanDerWaalsContact CD-O 3.29Å; K365-Q407 WeakPolarHBondContact CD-O 3.49Å; K365-Q407 VanDerWaalsContact CE-O 3.26Å; K365-Q407 WeakPolarHBondContact CE-O 3.01Å; K365-Q407 PolarHBondContact NZ-O 2.85Å; K365-D409 WeakPolarHBondContact CA-OD2 3.08Å; K365-D409 IonicContact NZ-OD1 3.03Å; K365-D409 PolarHBondContact NZ-OD1 3.35Å
366	K	89.3	Confident	86.7	Confident	129 Å²	129	61.3 Å²	61.3	56%	0.561	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.2	172.4	-166.5	172.8	-176.6	172.5	0	110.1	G368 F370 D409	K366-G368 WeakPolarHBondContact CE-O 3.07Å; K366-F370 CarbonylContact C-O 3.57Å; K366-F370 WeakPolarHBondContact CA-O 3.5Å; K366-D409 WeakPolarHBondContact CB-OD2 3.44Å; K366-D409 PolarHBondContact N-OD2 3.3Å
367	L	83.3	Confident	87.7	Confident	73 Å²	73	59.7 Å²	59.7	38%	0.382	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	89.9	175.7	-66.7	175.6	0	0	0	108.6	K365 N369 F370 T397	K365-L367 HydrophobicContact CG-CD2 4.46Å; K365-L367 HydrophobicContact CG-CG 4.22Å; L367-N369 PolarHBondContact O-N 3.13Å; L367-N369 VanDerWaalsContact O-N 3.17Å; L367-F370 PolarHBondContact N-O 2.95Å; L367-F370 PolarHBondContact O-N 2.66Å; L367-F370 VanDerWaalsContact O-N 3.13Å; L367-T397 HydrophobicContact CD1-CG2 3.69Å
368	G	83.1	Confident	88.4	Confident	60 Å²	60	55.1 Å²	55.1	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-113.9	-174.6	0	0	0	0	0	111.3	K366	K366-G368 WeakPolarHBondContact CE-O 3.07Å
369	N	82.4	Confident	88.6	Confident	156 Å²	156	52.5 Å²	52.5	83%	0.834	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-4.1	179.7	-63.6	-10.8	0	0	0	113.8	L367	L367-N369 PolarHBondContact O-N 3.13Å; L367-N369 VanDerWaalsContact O-N 3.17Å
370	F	84.6	Confident	88.5	Confident	25 Å²	25	49 Å²	49	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.2	-177.2	174.9	-106.5	0	0	0	110.8	K366 L367 L372 G392 S552 A554	K366-F370 CarbonylContact C-O 3.57Å; K366-F370 WeakPolarHBondContact CA-O 3.5Å; L367-F370 PolarHBondContact N-O 2.95Å; L367-F370 PolarHBondContact O-N 2.66Å; L367-F370 VanDerWaalsContact O-N 3.13Å; F370-L372 HydrophobicContact CE1-CB 3.79Å; F370-L372 HydrophobicContact CZ-CB 4.04Å; F370-G392 VanDerWaalsContact CE2-O 3.24Å; F370-G392 WeakPolarHBondContact CE2-O 3.4Å; F370-S552 CarbonylContact C-O 3.57Å; F370-S552 WeakPolarHBondContact CA-O 3.21Å; F370-A554 HydrophobicContact CE2-CB 3.85Å; F370-A554 HydrophobicContact CZ-CB 3.9Å
371	E	90.5	Very high	88.3	Confident	89 Å²	89	50.8 Å²	50.8	42%	0.416	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.9	176	-171.8	170.6	177.6	0	0	110.6	S552 E553 A554	E371-S552 PolarHBondContact N-O 3.28Å; E371-E553 CarbonylContact O-C 3.59Å; E371-E553 WeakPolarHBondContact O-CA 3.47Å; E371-A554 PolarHBondContact O-N 3.01Å
372	L	91.1	Very high	88.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.7	175.8	176.4	65.1	0	0	0	109.5	K364 K365 F370 V374 T397 M398 L401 F546 A554	K364-L372 CarbonylContact C-O 3.52Å; K364-L372 WeakPolarHBondContact CA-O 3.38Å; K365-L372 PolarHBondContact N-O 3.43Å; K365-L372 PolarHBondContact O-N 3.3Å; F370-L372 HydrophobicContact CE1-CB 3.79Å; F370-L372 HydrophobicContact CZ-CB 4.04Å; L372-V374 HydrophobicContact CD1-CG2 4.38Å; L372-V374 HydrophobicContact CD2-CG2 4.01Å; L372-V374 HydrophobicContact CG-CG2 3.93Å; L372-T397 HydrophobicContact CD2-CG2 3.9Å; L372-M398 HydrophobicContact CD2-CB 4.45Å; L372-L401 HydrophobicContact CD2-CD1 4.27Å; L372-F546 HydrophobicContact CD1-CD1 4.38Å; L372-F546 HydrophobicContact CD1-CE1 4.11Å; L372-A554 WeakPolarHBondContact CA-O 3.48Å; L372-A554 HydrophobicContact CD1-CB 4.11Å
373	T	92.3	Very high	88	Confident	39 Å²	39	47.9 Å²	47.9	24%	0.239	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.2	167.3	-58.4	0	0	0	0	108.8	K364 A554 V555 A556	K364-T373 HydrophobicContact CG-CG2 4.24Å; T373-A554 PolarHBondContact N-O 2.9Å; T373-V555 CarbonylContact O-C 3.56Å; T373-V555 VanDerWaalsContact O-CA 3.27Å; T373-V555 WeakPolarHBondContact O-CA 3.44Å; T373-A556 PolarHBondContact O-N 3.48Å
374	V	92.5	Very high	88.2	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118	176.2	-178.1	0	0	0	0	107.3	Y360 S362 M363 L372 M398 A556	Y360-V374 HydrophobicContact CD2-CG1 4.42Å; Y360-V374 HydrophobicContact CE2-CG1 3.92Å; S362-V374 CarbonylContact C-O 3.49Å; S362-V374 WeakPolarHBondContact CA-O 3.26Å; S362-V374 PolarHBondContact OG-O 2.76Å; S362-V374 VanDerWaalsContact OG-O 3.12Å; M363-V374 HydrophobicContact CB-CB 4.29Å; M363-V374 HydrophobicContact CE-CG1 4.2Å; M363-V374 PolarHBondContact N-O 3.03Å; M363-V374 PolarHBondContact O-N 3.06Å; L372-V374 HydrophobicContact CD1-CG2 4.38Å; L372-V374 HydrophobicContact CD2-CG2 4.01Å; L372-V374 HydrophobicContact CG-CG2 3.93Å; V374-M398 HydrophobicContact CG1-CE 4.18Å; V374-M398 HydrophobicContact CG2-CG 4.5Å; V374-A556 HydrophobicContact CB-CB 4.42Å; V374-A556 HydrophobicContact CG1-CB 4.25Å; V374-A556 HydrophobicContact CG2-CB 4.2Å
375	E	92.7	Very high	88.4	Confident	72 Å²	72	44.6 Å²	44.6	34%	0.336	24%	0.239	S	C	.	.			trans	-66	153.1	171.7	-67.6	177.3	-177.4	0	0	110.2	Y360 V555 A556 A557 S558	Y360-E375 VanDerWaalsContact CE2-O 3.29Å; Y360-E375 WeakPolarHBondContact CE2-O 3.45Å; E375-V555 HydrophobicContact CG-CG1 4.3Å; E375-A556 WeakPolarHBondContact CB-O 3.32Å; E375-A556 PolarHBondContact N-O 3.21Å; E375-A557 VanDerWaalsContact OE2-CA 3.3Å; E375-A557 WeakPolarHBondContact OE2-CA 3.43Å; E375-S558 PolarHBondContact OE2-N 3.37Å
376	D	89.9	Confident	88.6	Confident	89 Å²	89	43.3 Å²	43.3	48%	0.476	23%	0.233	S	C	.	.			trans	-61.7	149.7	174.3	66.8	-60.2	0	0	0	111.2	H359 S558	H359-D376 IonicContact CE1-OD2 3.86Å; D376-S558 WeakPolarHBondContact O-CB 3.34Å
377	G	89.8	Confident	88.8	Confident	4 Å²	4	37.1 Å²	37.1	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	148.4	-175.9	0	0	0	0	0	113.9	H359 Y360	H359-G377 WeakPolarHBondContact CA-O 3.46Å; H359-G377 PolarHBondContact ND1-O 3.13Å; Y360-G377 VanDerWaalsContact CD1-O 3.31Å; Y360-G377 WeakPolarHBondContact CD1-O 3.49Å; Y360-G377 PolarHBondContact N-O 2.95Å; Y360-G377 PolarHBondContact O-N 2.91Å
378	E	89.1	Confident	89.1	Confident	94 Å²	94	33.9 Å²	33.9	44%	0.439	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.6	175.6	-63.6	-176.5	177.9	0	0	110.6	Y358 R542	Y358-E378 CarbonylContact O-C 3.49Å; Y358-E378 WeakPolarHBondContact O-CA 3.48Å; E378-R542 PolarHBondContact O-NH1 3.33Å
379	F	88.9	Confident	89.3	Confident	9 Å²	9	31.2 Å²	31.2	4%	0.039	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.3	169.3	64.8	-85.2	0	0	0	112.1	Y358 Y360 E383 I385 P416 L418 V493 T525 F527	Y358-F379 VanDerWaalsContact CB-CE1 3.49Å; Y358-F379 HydrophobicContact CD2-CD2 4.02Å; Y358-F379 AromaticContact CD2-CE2 3.62Å; Y358-F379 HydrophobicContact CD2-CE2 3.62Å; Y358-F379 HydrophobicContact CD2-CZ 4.28Å; Y358-F379 HydrophobicContact CG-CD2 4.3Å; Y358-F379 AromaticContact CG-CE2 3.68Å; Y358-F379 HydrophobicContact CG-CE2 3.68Å; Y358-F379 AromaticContact CG-CZ 3.85Å; Y358-F379 HydrophobicContact CG-CZ 3.85Å; Y358-F379 PolarHBondContact N-O 3.38Å; Y358-F379 PolarHBondContact O-N 3.06Å; Y360-F379 AromaticContact CD1-CD1 3.86Å; Y360-F379 HydrophobicContact CD1-CD1 3.86Å; Y360-F379 HydrophobicContact CD1-CE1 4.11Å; Y360-F379 HydrophobicContact CE1-CD1 4.37Å; F379-E383 WeakPolarHBondContact CA-OE1 3.38Å; F379-E383 WeakPolarHBondContact CB-OE1 3.03Å; F379-I385 HydrophobicContact CB-CD1 3.54Å; F379-P416 HydrophobicContact CZ-CG 4.38Å; F379-L418 HydrophobicContact CE2-CD1 3.98Å; F379-L418 HydrophobicContact CZ-CD1 3.93Å; F379-V493 HydrophobicContact CE2-CG2 4.27Å; F379-T525 HydrophobicContact CD2-CG2 3.93Å; F379-F527 HydrophobicContact CB-CZ 4.38Å; F379-F527 HydrophobicContact CD1-CZ 4.2Å; F379-F527 HydrophobicContact CG-CZ 4.22Å
380	T	85.1	Confident	89.3	Confident	12 Å²	12	25.5 Å²	25.5	7%	0.074	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	160.5	-179.5	69.1	0	0	0	0	111.9	R357 E383 T525	R357-T380 HydrophobicContact CG-CG2 4.23Å; T380-E383 PolarHBondContact N-OE1 3.04Å; T380-E383 WeakPolarHBondContact O-CG 3.48Å; T380-E383 VanDerWaalsContact OG1-CD 3.22Å; T380-E383 PolarHBondContact OG1-OE2 3.46Å; T380-T525 PolarHBondContact O-OG1 3.44Å
381	D	82.8	Confident	89.2	Confident	39 Å²	39	26.3 Å²	26.3	21%	0.209	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	146.6	167.5	-69	-37	0	0	0	110.6	S356 Y358	S356-D381 WeakPolarHBondContact CB-OD2 3.36Å; S356-D381 PolarHBondContact OG-OD2 2.91Å; Y358-D381 WeakPolarHBondContact CE2-OD1 3.42Å
382	S	83.8	Confident	88.6	Confident	16 Å²	16	24 Å²	24	11%	0.112	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	32.1	177.5	-42.9	0	0	0	0	114.6	K523 K524	S382-K523 VanDerWaalsContact OG-CA 3.24Å; S382-K523 WeakPolarHBondContact OG-CA 3.29Å; S382-K523 WeakPolarHBondContact OG-CB 3.46Å; S382-K524 WeakPolarHBondContact CA-O 3.35Å; S382-K524 PolarHBondContact N-O 3.32Å; S382-K524 VanDerWaalsContact N-O 3.11Å
383	E	88.7	Confident	88.3	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.136	C	C	.	.			trans	-125.2	150.9	174.5	85.2	-175.1	-176.1	0	0	112.6	F379 T380 I385 T525 A526 R542	F379-E383 WeakPolarHBondContact CA-OE1 3.38Å; F379-E383 WeakPolarHBondContact CB-OE1 3.03Å; T380-E383 PolarHBondContact N-OE1 3.04Å; T380-E383 WeakPolarHBondContact O-CG 3.48Å; T380-E383 VanDerWaalsContact OG1-CD 3.22Å; T380-E383 PolarHBondContact OG1-OE2 3.46Å; E383-I385 HydrophobicContact CG-CG1 4.22Å; E383-I385 WeakPolarHBondContact OE1-CD1 3.4Å; E383-T525 HydrophobicContact CG-CG2 4.22Å; E383-T525 WeakPolarHBondContact O-CA 3.39Å; E383-T525 WeakPolarHBondContact O-CG2 3.48Å; E383-A526 PolarHBondContact O-N 3.15Å; E383-A526 VanDerWaalsContact O-N 3.16Å; E383-R542 IonicContact OE1-NH1 3.61Å
384	I	92.7	Very high	88	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117	174.9	-57	176.2	0	0	0	109.1	V386 K516 I519 A526 V528 L539 D541 R542	I384-V386 HydrophobicContact CG2-CG2 4.31Å; I384-K516 HydrophobicContact CD1-CB 4.26Å; I384-K516 HydrophobicContact CD1-CG 4.2Å; I384-I519 HydrophobicContact CD1-CB 4.3Å; I384-I519 HydrophobicContact CD1-CG2 4.33Å; I384-I519 HydrophobicContact CG1-CB 4.4Å; I384-I519 HydrophobicContact CG1-CG2 3.91Å; I384-A526 WeakPolarHBondContact CA-O 3.05Å; I384-A526 HydrophobicContact CG1-CB 4.43Å; I384-V528 HydrophobicContact CG2-CG2 3.99Å; I384-L539 WeakPolarHBondContact CB-O 3.07Å; I384-L539 HydrophobicContact CD1-CD2 4.46Å; I384-L539 HydrophobicContact CG2-CB 4.25Å; I384-L539 WeakPolarHBondContact CG2-O 3.3Å; I384-D541 PolarHBondContact N-OD2 2.89Å; I384-D541 PolarHBondContact O-N 2.95Å; I384-R542 PolarHBondContact O-N 3.45Å
385	I	93.9	Very high	87.8	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.7	175.9	-59.7	172.8	0	0	0	108.5	F379 E383 L387 A526 F527 V528 R542 V544	F379-I385 HydrophobicContact CB-CD1 3.54Å; E383-I385 HydrophobicContact CG-CG1 4.22Å; E383-I385 WeakPolarHBondContact OE1-CD1 3.4Å; I385-L387 HydrophobicContact CG2-CD2 4.22Å; I385-A526 PolarHBondContact N-O 2.83Å; I385-F527 HydrophobicContact CB-CD1 3.89Å; I385-F527 HydrophobicContact CB-CE1 4.02Å; I385-F527 HydrophobicContact CD1-CD1 4.27Å; I385-F527 HydrophobicContact CD1-CE1 3.53Å; I385-F527 HydrophobicContact CD1-CE2 4.47Å; I385-F527 HydrophobicContact CD1-CZ 3.65Å; I385-F527 HydrophobicContact CG1-CE1 4.35Å; I385-F527 HydrophobicContact CG2-CD1 3.95Å; I385-F527 HydrophobicContact CG2-CE1 4.01Å; I385-F527 CarbonylContact O-C 3.26Å; I385-F527 WeakPolarHBondContact O-CA 3.16Å; I385-V528 PolarHBondContact O-N 3.33Å; I385-R542 WeakPolarHBondContact CA-O 3.32Å; I385-R542 HydrophobicContact CG1-CB 4.35Å; I385-V544 HydrophobicContact CG2-CG2 3.72Å
386	V	94.5	Very high	87.5	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.4	176.7	176.9	0	0	0	0	110.6	I384 L388 V528 E530 A536 L539 A540 R542 V543 V544	I384-V386 HydrophobicContact CG2-CG2 4.31Å; V386-L388 HydrophobicContact CG1-CD2 3.74Å; V386-L388 HydrophobicContact CG1-CG 4.03Å; V386-V528 CarbonylContact C-O 3.59Å; V386-V528 VanDerWaalsContact CA-O 3.3Å; V386-V528 WeakPolarHBondContact CA-O 3.46Å; V386-V528 HydrophobicContact CG2-CB 4.45Å; V386-E530 HydrophobicContact CG1-CB 4.27Å; V386-A536 HydrophobicContact CG1-CB 4.04Å; V386-L539 HydrophobicContact CG2-CB 4.15Å; V386-A540 HydrophobicContact CB-CB 3.87Å; V386-A540 HydrophobicContact CG2-CB 3.52Å; V386-R542 PolarHBondContact N-O 3.2Å; V386-V543 CarbonylContact O-C 3.58Å; V386-V543 WeakPolarHBondContact O-CA 3.29Å; V386-V544 PolarHBondContact O-N 3.37Å
387	L	93.6	Very high	87.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.3	176.9	-55.1	-169.4	0	0	0	109.1	I385 M398 I399 F527 V528 V529 E530 V544 F546	I385-L387 HydrophobicContact CG2-CD2 4.22Å; L387-M398 HydrophobicContact CD1-SD 4.11Å; L387-M398 HydrophobicContact CD2-CE 4.45Å; L387-M398 HydrophobicContact CD2-SD 4.21Å; L387-I399 HydrophobicContact CD1-CD1 4.38Å; L387-I399 HydrophobicContact CD1-CG1 3.99Å; L387-F527 HydrophobicContact CD2-CD1 4.28Å; L387-V528 PolarHBondContact N-O 3.44Å; L387-V529 HydrophobicContact CB-CG2 3.79Å; L387-V529 HydrophobicContact CD1-CG2 3.75Å; L387-V529 HydrophobicContact CG-CG2 4.16Å; L387-E530 PolarHBondContact O-N 2.88Å; L387-V544 HydrophobicContact CD2-CB 3.52Å; L387-V544 HydrophobicContact CD2-CG1 3.9Å; L387-V544 HydrophobicContact CD2-CG2 3.92Å; L387-F546 HydrophobicContact CB-CE2 3.96Å; L387-F546 HydrophobicContact CD1-CE2 4.31Å; L387-F546 HydrophobicContact CD1-CZ 4.47Å; L387-F546 HydrophobicContact CD2-CE2 4.25Å; L387-F546 HydrophobicContact CG-CE2 4.39Å
388	L	90.1	Very high	87.4	Confident	5 Å²	5	17.5 Å²	17.5	3%	0.026	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.8	179.7	-62.5	-178.4	0	0	0	111.5	V386 E530 A536 V543 V544 F546 M566 F569	V386-L388 HydrophobicContact CG1-CD2 3.74Å; V386-L388 HydrophobicContact CG1-CG 4.03Å; L388-E530 WeakPolarHBondContact CD2-O 3.44Å; L388-A536 HydrophobicContact CD2-CB 3.98Å; L388-V543 HydrophobicContact CB-CG1 4.35Å; L388-V543 HydrophobicContact CD1-CG1 3.63Å; L388-V543 HydrophobicContact CG-CG1 3.94Å; L388-V544 PolarHBondContact N-O 3.32Å; L388-F546 PolarHBondContact O-N 2.93Å; L388-M566 HydrophobicContact CD1-SD 3.48Å; L388-M566 WeakPolarHBondContact CD1-SD 3.35Å; L388-F569 HydrophobicContact CB-CD2 4.16Å; L388-F569 HydrophobicContact CB-CE2 4.29Å; L388-F569 HydrophobicContact CB-CG 4.3Å; L388-F569 HydrophobicContact CD1-CD1 4.16Å; L388-F569 HydrophobicContact CD1-CG 4.38Å
389	G	86	Confident	87.5	Confident	3 Å²	3	13 Å²	13	3%	0.031	8%	0.083	C	C	.	.			trans	169	168.9	177.7	0	0	0	0	0	113.4	K395 H531	G389-K395 PolarHBondContact O-NZ 3.3Å; G389-H531 PolarHBondContact O-CE1 3.21Å; G389-H531 VanDerWaalsContact O-CE1 3.28Å
390	E	83.7	Confident	87.5	Confident	36 Å²	36	16.5 Å²	16.5	17%	0.168	10%	0.098	C	C	.	.			trans	-63	161.5	174	-62.3	-174.2	-177.2	0	0	112	K260 T393 K395 P550	K260-E390 WeakPolarHBondContact CD-OE1 3.13Å; K260-E390 IonicContact NZ-OE1 2.72Å; K260-E390 PolarHBondContact NZ-OE1 3.09Å; K260-E390 IonicContact NZ-OE2 3.34Å; E390-T393 HydrophobicContact CB-CG2 3.88Å; E390-T393 PolarHBondContact O-OG1 3.47Å; E390-K395 PolarHBondContact O-NZ 2.96Å; E390-P550 HydrophobicContact CB-CG 4.27Å; E390-P550 WeakPolarHBondContact OE2-CG 3.38Å
391	N	80.7	Confident	87.6	Confident	42 Å²	42	16 Å²	16	23%	0.225	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	136.7	172.8	-76.1	-11.1	0	0	0	109.9	Y256 D258 H531	Y256-N391 PolarHBondContact O-ND2 3.22Å; D258-N391 HydrophobicContact CB-CB 4.23Å; D258-N391 PolarHBondContact OD2-N 3.37Å; D258-N391 VanDerWaalsContact OD2-N 3.08Å; N391-H531 PolarHBondContact OD1-CE1 2.98Å; N391-H531 PolarHBondContact OD1-NE2 3.49Å; N391-H531 VanDerWaalsContact OD1-NE2 3.13Å
392	G	79.1	Confident	87.8	Confident	40 Å²	40	14.9 Å²	14.9	41%	0.412	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	7.1	-177.8	0	0	0	0	0	115.7	F370 G394 S551	F370-G392 VanDerWaalsContact CE2-O 3.24Å; F370-G392 WeakPolarHBondContact CE2-O 3.4Å; G392-G394 VanDerWaalsContact C-N 3.27Å; G392-G394 PolarHBondContact O-N 3.38Å; G392-S551 PolarHBondContact O-N 2.93Å
393	T	84.7	Confident	87.9	Confident	3 Å²	3	15.2 Å²	15.2	2%	0.018	9%	0.092	C	C	.	.	S	Bend	trans	-84.6	7.4	172.6	61.7	0	0	0	0	114	E390 F546 A554	E390-T393 HydrophobicContact CB-CG2 3.88Å; E390-T393 PolarHBondContact O-OG1 3.47Å; T393-F546 VanDerWaalsContact O-CD1 3.23Å; T393-F546 WeakPolarHBondContact O-CD1 3.3Å; T393-A554 WeakPolarHBondContact O-CB 3.27Å
394	G	84.8	Confident	87.6	Confident	6 Å²	6	18.1 Å²	18.1	6%	0.062	12%	0.123	C	C	.	.	S	Bend	trans	86	14.6	175.7	0	0	0	0	0	116.4	G392 T396 T397 M398	G392-G394 VanDerWaalsContact C-N 3.27Å; G392-G394 PolarHBondContact O-N 3.38Å; G394-T396 PolarHBondContact O-N 2.79Å; G394-T397 CarbonylContact O-C 3.49Å; G394-T397 WeakPolarHBondContact O-CA 3.22Å; G394-T397 VanDerWaalsContact O-CB 3.25Å; G394-T397 WeakPolarHBondContact O-CB 3.49Å; G394-T397 PolarHBondContact O-N 2.94Å; G394-M398 PolarHBondContact O-N 3.12Å
395	K	88.3	Confident	87.2	Confident	10 Å²	10	24.3 Å²	24.3	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-52.3	-52	176	-57	-170.9	-62.3	-85	0	113.5	G389 E390 T397 M398 I399 V529 H531 F546	G389-K395 PolarHBondContact O-NZ 3.3Å; E390-K395 PolarHBondContact O-NZ 2.96Å; K395-T397 PolarHBondContact O-N 3.3Å; K395-M398 WeakPolarHBondContact O-CB 3.17Å; K395-M398 PolarHBondContact O-N 3.43Å; K395-I399 PolarHBondContact O-N 3.36Å; K395-V529 HydrophobicContact CB-CG1 4.28Å; K395-V529 HydrophobicContact CB-CG2 4.05Å; K395-V529 HydrophobicContact CD-CG1 4.08Å; K395-H531 VanDerWaalsContact CE-NE2 3.32Å; K395-H531 WeakPolarHBondContact CE-NE2 3.46Å; K395-H531 PolarHBondContact NZ-CE1 2.88Å; K395-H531 PolarHBondContact NZ-NE2 3.44Å; K395-H531 VanDerWaalsContact NZ-NE2 3.17Å; K395-F546 HydrophobicContact CB-CE2 4.42Å; K395-F546 HydrophobicContact CB-CZ 4.29Å; K395-F546 HydrophobicContact CD-CD2 4.41Å; K395-F546 HydrophobicContact CG-CD1 4.25Å; K395-F546 HydrophobicContact CG-CD2 3.84Å; K395-F546 HydrophobicContact CG-CE1 4.27Å; K395-F546 HydrophobicContact CG-CE2 3.9Å; K395-F546 HydrophobicContact CG-CG 4.02Å; K395-F546 HydrophobicContact CG-CZ 4.09Å
396	T	87	Confident	86.7	Confident	32 Å²	32	26.6 Å²	26.6	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-31.7	174.8	-57.2	0	0	0	0	112	G394 I399 K400 D497	G394-T396 PolarHBondContact O-N 2.79Å; T396-I399 PolarHBondContact O-N 3.36Å; T396-K400 HydrophobicContact CG2-CD 4.38Å; T396-K400 WeakPolarHBondContact O-CG 3.23Å; T396-K400 PolarHBondContact O-N 3.18Å; T396-D497 WeakPolarHBondContact CB-OD2 3.18Å; T396-D497 VanDerWaalsContact CG2-OD2 3.23Å; T396-D497 WeakPolarHBondContact CG2-OD2 3.07Å; T396-D497 PolarHBondContact OG1-OD2 3.42Å
397	T	88.6	Confident	86.2	Confident	19 Å²	19	34 Å²	34	12%	0.117	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-44.9	175.5	-53	0	0	0	0	110.6	K365 L367 L372 G394 K395 I399 K400 L401 L406	K365-T397 HydrophobicContact CG-CG2 4.38Å; L367-T397 HydrophobicContact CD1-CG2 3.69Å; L372-T397 HydrophobicContact CD2-CG2 3.9Å; G394-T397 CarbonylContact O-C 3.49Å; G394-T397 WeakPolarHBondContact O-CA 3.22Å; G394-T397 VanDerWaalsContact O-CB 3.25Å; G394-T397 WeakPolarHBondContact O-CB 3.49Å; G394-T397 PolarHBondContact O-N 2.94Å; K395-T397 PolarHBondContact O-N 3.3Å; T397-I399 VanDerWaalsContact C-N 3.34Å; T397-I399 PolarHBondContact O-N 3.46Å; T397-K400 PolarHBondContact O-N 2.88Å; T397-K400 VanDerWaalsContact O-N 3.11Å; T397-L401 HydrophobicContact CG2-CD1 4.48Å; T397-L401 WeakPolarHBondContact O-CG 3.47Å; T397-L401 PolarHBondContact O-N 3.4Å; T397-L406 HydrophobicContact CG2-CD1 4.1Å
398	M	89.6	Confident	85.8	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-45.3	172.7	-177.2	-177.5	177.9	0	0	111.3	Y360 L372 V374 L387 G394 K395 K400 L401 L402 F546 A556	Y360-M398 HydrophobicContact CE2-CE 4.26Å; L372-M398 HydrophobicContact CD2-CB 4.45Å; V374-M398 HydrophobicContact CG1-CE 4.18Å; V374-M398 HydrophobicContact CG2-CG 4.5Å; L387-M398 HydrophobicContact CD1-SD 4.11Å; L387-M398 HydrophobicContact CD2-CE 4.45Å; L387-M398 HydrophobicContact CD2-SD 4.21Å; G394-M398 PolarHBondContact O-N 3.12Å; K395-M398 WeakPolarHBondContact O-CB 3.17Å; K395-M398 PolarHBondContact O-N 3.43Å; M398-K400 VanDerWaalsContact C-N 3.31Å; M398-K400 PolarHBondContact O-N 3.47Å; M398-L401 WeakPolarHBondContact O-CB 3.39Å; M398-L401 PolarHBondContact O-N 3.23Å; M398-L402 HydrophobicContact CE-CD1 4.27Å; M398-L402 HydrophobicContact CG-CD1 4.38Å; M398-L402 WeakPolarHBondContact O-CG 3.37Å; M398-L402 PolarHBondContact O-N 3.28Å; M398-F546 HydrophobicContact CB-CE1 4.31Å; M398-F546 HydrophobicContact CB-CZ 3.91Å; M398-F546 HydrophobicContact CG-CZ 4.32Å; M398-F546 HydrophobicContact SD-CE1 4.34Å; M398-F546 HydrophobicContact SD-CE2 4.09Å; M398-F546 HydrophobicContact SD-CZ 3.45Å; M398-F546 WeakPolarHBondContact SD-CZ 3.45Å; M398-A556 HydrophobicContact SD-CB 4.19Å
399	I	90.5	Very high	85.5	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-40.5	175.2	-73.8	-173.1	0	0	0	111.8	L387 K395 T396 T397 L402 A403 Y422 L495 D497 V529	L387-I399 HydrophobicContact CD1-CD1 4.38Å; L387-I399 HydrophobicContact CD1-CG1 3.99Å; K395-I399 PolarHBondContact O-N 3.36Å; T396-I399 PolarHBondContact O-N 3.36Å; T397-I399 VanDerWaalsContact C-N 3.34Å; T397-I399 PolarHBondContact O-N 3.46Å; I399-L402 PolarHBondContact O-N 2.87Å; I399-A403 VanDerWaalsContact O-CB 3.23Å; I399-A403 WeakPolarHBondContact O-CB 3.4Å; I399-A403 PolarHBondContact O-N 3.44Å; I399-Y422 HydrophobicContact CG2-CD2 3.71Å; I399-Y422 HydrophobicContact CG2-CE2 3.36Å; I399-L495 HydrophobicContact CG2-CB 3.95Å; I399-L495 HydrophobicContact CG2-CD1 4.12Å; I399-D497 HydrophobicContact CD1-CB 4.1Å; I399-V529 HydrophobicContact CD1-CB 4.28Å; I399-V529 HydrophobicContact CD1-CG2 3.35Å; I399-V529 HydrophobicContact CG1-CG2 4.15Å
400	K	88.6	Confident	84.9	Confident	81 Å²	81	44.5 Å²	44.5	35%	0.352	25%	0.251	S	S	.	.	H	α-helix	trans	-68.9	-34	178.4	-75.3	174.4	-178.2	175.1	0	112.9	T396 T397 M398 G404 K405 L406	T396-K400 HydrophobicContact CG2-CD 4.38Å; T396-K400 WeakPolarHBondContact O-CG 3.23Å; T396-K400 PolarHBondContact O-N 3.18Å; T397-K400 PolarHBondContact O-N 2.88Å; T397-K400 VanDerWaalsContact O-N 3.11Å; M398-K400 VanDerWaalsContact C-N 3.31Å; M398-K400 PolarHBondContact O-N 3.47Å; K400-G404 PolarHBondContact O-N 2.91Å; K400-K405 HydrophobicContact CB-CB 4.43Å; K400-K405 PolarHBondContact O-N 3.4Å; K400-L406 HydrophobicContact CB-CB 4.46Å; K400-L406 HydrophobicContact CB-CD1 3.68Å; K400-L406 HydrophobicContact CB-CG 3.97Å; K400-L406 HydrophobicContact CD-CD1 3.94Å; K400-L406 HydrophobicContact CD-CG 4.49Å; K400-L406 HydrophobicContact CG-CD1 4.49Å; K400-L406 PolarHBondContact O-N 2.9Å
401	L	88.5	Confident	83.9	Confident	2 Å²	2	53 Å²	53	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-51.2	171.4	-70.5	168.1	0	0	0	109.7	K365 L372 T397 M398 A403 G404 L406	K365-L401 HydrophobicContact CB-CD1 4.09Å; K365-L401 HydrophobicContact CB-CD2 4.35Å; K365-L401 HydrophobicContact CD-CD2 4.31Å; K365-L401 HydrophobicContact CG-CD2 4.29Å; L372-L401 HydrophobicContact CD2-CD1 4.27Å; T397-L401 HydrophobicContact CG2-CD1 4.48Å; T397-L401 WeakPolarHBondContact O-CG 3.47Å; T397-L401 PolarHBondContact O-N 3.4Å; M398-L401 WeakPolarHBondContact O-CB 3.39Å; M398-L401 PolarHBondContact O-N 3.23Å; L401-A403 VanDerWaalsContact C-N 3.3Å; L401-A403 PolarHBondContact O-N 3.47Å; L401-G404 PolarHBondContact O-N 2.86Å; L401-L406 HydrophobicContact CD2-CB 3.86Å; L401-L406 HydrophobicContact CG-CB 4.4Å
402	L	86.9	Confident	82.9	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-37.8	176.4	-68.6	175.9	0	0	0	112.3	M398 I399 G404 I420 L495 F527	M398-L402 HydrophobicContact CE-CD1 4.27Å; M398-L402 HydrophobicContact CG-CD1 4.38Å; M398-L402 WeakPolarHBondContact O-CG 3.37Å; M398-L402 PolarHBondContact O-N 3.28Å; I399-L402 PolarHBondContact O-N 2.87Å; L402-G404 PolarHBondContact O-N 3.42Å; L402-I420 WeakPolarHBondContact O-CD1 3.48Å; L402-L495 HydrophobicContact CB-CD1 4.15Å; L402-L495 HydrophobicContact CB-CD2 4.42Å; L402-L495 HydrophobicContact CD1-CD2 4.41Å; L402-F527 HydrophobicContact CD1-CD1 4.16Å; L402-F527 HydrophobicContact CD1-CD2 4.44Å; L402-F527 HydrophobicContact CD1-CE1 4.2Å; L402-F527 HydrophobicContact CD1-CE2 4.48Å; L402-F527 HydrophobicContact CD1-CG 4.28Å; L402-F527 HydrophobicContact CD1-CZ 4.36Å
403	A	85.9	Confident	82	Confident	23 Å²	23	52.6 Å²	52.6	19%	0.19	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.5	177.8	0	0	0	0	0	114.3	I399 L401 K405 L495	I399-A403 VanDerWaalsContact O-CB 3.23Å; I399-A403 WeakPolarHBondContact O-CB 3.4Å; I399-A403 PolarHBondContact O-N 3.44Å; L401-A403 VanDerWaalsContact C-N 3.3Å; L401-A403 PolarHBondContact O-N 3.47Å; A403-K405 HydrophobicContact CB-CG 4.37Å; A403-K405 PolarHBondContact O-N 3.44Å; A403-L495 HydrophobicContact CB-CD1 3.69Å
404	G	82.9	Confident	80.9	Confident	63 Å²	63	61.4 Å²	61.4	65%	0.649	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	14	-175.6	0	0	0	0	0	114.6	K400 L401 L402	K400-G404 PolarHBondContact O-N 2.91Å; L401-G404 PolarHBondContact O-N 2.86Å; L402-G404 PolarHBondContact O-N 3.42Å
405	K	83.2	Confident	80.2	Confident	131 Å²	131	63.9 Å²	63.9	57%	0.57	34%	0.344	S	S	*	.	S	Bend	trans	-84	-20.2	177.6	-72.1	-174.7	176.7	177.8	0	113.1	K400 A403 Y422	K400-K405 HydrophobicContact CB-CB 4.43Å; K400-K405 PolarHBondContact O-N 3.4Å; A403-K405 HydrophobicContact CB-CG 4.37Å; A403-K405 PolarHBondContact O-N 3.44Å; K405-Y422 VanDerWaalsContact NZ-CD1 3.29Å
406	L	84.4	Confident	79.3	Confident	47 Å²	47	65.3 Å²	65.3	25%	0.246	36%	0.355	C	S	.	.	S	Bend	trans	-128.2	136.5	173.4	-69.1	175.1	0	0	0	107.4	T397 K400 L401	T397-L406 HydrophobicContact CG2-CD1 4.1Å; K400-L406 HydrophobicContact CB-CB 4.46Å; K400-L406 HydrophobicContact CB-CD1 3.68Å; K400-L406 HydrophobicContact CB-CG 3.97Å; K400-L406 HydrophobicContact CD-CD1 3.94Å; K400-L406 HydrophobicContact CD-CG 4.49Å; K400-L406 HydrophobicContact CG-CD1 4.49Å; K400-L406 PolarHBondContact O-N 2.9Å; L401-L406 HydrophobicContact CD2-CB 3.86Å; L401-L406 HydrophobicContact CG-CB 4.4Å
407	Q	83.7	Confident	78.7	Confident	157 Å²	157	73.2 Å²	73.2	73%	0.734	39%	0.389	S	S	*	.			trans	-90.1	144.9	171.3	-68.5	-177.2	-15.7	0	0	109.9	K365	K365-Q407 VanDerWaalsContact CD-O 3.29Å; K365-Q407 WeakPolarHBondContact CD-O 3.49Å; K365-Q407 VanDerWaalsContact CE-O 3.26Å; K365-Q407 WeakPolarHBondContact CE-O 3.01Å; K365-Q407 PolarHBondContact NZ-O 2.85Å
408	P	83.9	Confident	78.3	Confident	40 Å²	40	73.9 Å²	73.9	26%	0.26	39%	0.392	S	S	.	.			trans	-63.6	155.7	170.9	29.4	-34.3	0	0	0	110.8	M363 S412	M363-P408 HydrophobicContact CB-CB 4.37Å; M363-P408 HydrophobicContact CG-CB 4.33Å; P408-S412 VanDerWaalsContact CB-OG 3.24Å; P408-S412 WeakPolarHBondContact CB-OG 3.32Å; P408-S412 VanDerWaalsContact CG-OG 3.25Å; P408-S412 WeakPolarHBondContact CG-OG 3.3Å
409	D	84.4	Confident	78.2	Confident	90 Å²	90	76.3 Å²	76.3	48%	0.481	41%	0.409	S	S	.	.	S	Bend	trans	-84.7	-31.6	179.2	-64.8	-30.7	0	0	0	112.6	K364 K365 K366	K364-D409 PolarHBondContact O-N 3.02Å; K365-D409 WeakPolarHBondContact CA-OD2 3.08Å; K365-D409 IonicContact NZ-OD1 3.03Å; K365-D409 PolarHBondContact NZ-OD1 3.35Å; K366-D409 WeakPolarHBondContact CB-OD2 3.44Å; K366-D409 PolarHBondContact N-OD2 3.3Å
410	E	74.5	Confident	78.2	Confident	98 Å²	98	79.8 Å²	79.8	46%	0.458	43%	0.427	S	S	.	.	S	Bend	trans	-95.1	141.5	173	-68.1	178	174.8	0	0	109.4	K364 S412	K364-E410 WeakPolarHBondContact CE-OE2 3.39Å; K364-E410 IonicContact NZ-OE1 2.78Å; K364-E410 PolarHBondContact NZ-OE1 2.99Å; K364-E410 IonicContact NZ-OE2 2.67Å; K364-E410 PolarHBondContact NZ-OE2 3.34Å; E410-S412 VanDerWaalsContact C-N 3.26Å; E410-S412 PolarHBondContact O-N 3.47Å; E410-S412 PolarHBondContact O-OG 3.44Å
411	E	61	Low	78.4	Confident	214 Å²	214	76.1 Å²	76.1	100%	1	41%	0.411	S	S	*	.			trans	-59.2	91.7	170.1	-77	-174	173.5	0	0	109
412	S	60.7	Low	78.6	Confident	28 Å²	28	78 Å²	78	20%	0.196	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-103.8	142.9	177.4	27.5	0	0	0	0	106.5	S362 P408 E410	S362-S412 WeakPolarHBondContact O-CB 3.32Å; P408-S412 VanDerWaalsContact CB-OG 3.24Å; P408-S412 WeakPolarHBondContact CB-OG 3.32Å; P408-S412 VanDerWaalsContact CG-OG 3.25Å; P408-S412 WeakPolarHBondContact CG-OG 3.3Å; E410-S412 VanDerWaalsContact C-N 3.26Å; E410-S412 PolarHBondContact O-N 3.47Å; E410-S412 PolarHBondContact O-OG 3.44Å
413	G	59.7	Low	78.9	Confident	46 Å²	46	77.4 Å²	77.4	47%	0.474	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-48.4	162.7	-169.9	0	0	0	0	0	115	P361 I415	P361-G413 VanDerWaalsContact CG-O 3.31Å; P361-G413 WeakPolarHBondContact CG-O 3.33Å; G413-I415 PolarHBondContact O-N 3.18Å
414	E	62.5	Low	78.9	Confident	188 Å²	188	78.7 Å²	78.7	88%	0.879	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-59.3	117	-178.3	-68.6	-172.1	164	0	0	111.3
415	I	70.5	Confident	78.8	Confident	58 Å²	58	78.9 Å²	78.9	30%	0.297	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-62.8	130.6	168.6	-58.3	171.8	0	0	0	106.7	M363 G413 Q417	M363-I415 HydrophobicContact SD-CD1 4.04Å; G413-I415 PolarHBondContact O-N 3.18Å; I415-Q417 PolarHBondContact O-N 3.39Å
416	P	68.7	Low	78.4	Confident	40 Å²	40	81 Å²	81	26%	0.26	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-56.7	133	-177.1	20.6	-32.1	0	0	0	111.2	Y358 F379 L418	Y358-P416 HydrophobicContact CD1-CB 4.23Å; Y358-P416 HydrophobicContact CD1-CG 4.41Å; F379-P416 HydrophobicContact CZ-CG 4.38Å; P416-L418 VanDerWaalsContact C-N 3.25Å; P416-L418 HydrophobicContact CB-CD1 4.45Å; P416-L418 HydrophobicContact CB-CG 4.28Å; P416-L418 HydrophobicContact CG-CD1 4.36Å; P416-L418 PolarHBondContact O-N 3.4Å
417	Q	73.5	Confident	78.1	Confident	197 Å²	197	81 Å²	81	92%	0.921	42%	0.415	S	S	*	.			trans	-70.7	79.4	178.3	-66.1	-172.9	2.8	0	0	110.6	I415	I415-Q417 PolarHBondContact O-N 3.39Å
418	L	81.4	Confident	77.6	Confident	34 Å²	34	77.4 Å²	77.4	18%	0.178	41%	0.407	C	S	.	.			trans	-105.1	150.8	176.6	-68	176.7	0	0	0	110.6	Y358 F379 P416 I420 D492 V493	Y358-L418 HydrophobicContact CD1-CD1 4Å; Y358-L418 HydrophobicContact CD2-CD1 4.45Å; Y358-L418 HydrophobicContact CE1-CD1 4.08Å; Y358-L418 HydrophobicContact CE1-CD2 3.84Å; Y358-L418 HydrophobicContact CE1-CG 4.37Å; Y358-L418 HydrophobicContact CG-CD1 4.19Å; F379-L418 HydrophobicContact CE2-CD1 3.98Å; F379-L418 HydrophobicContact CZ-CD1 3.93Å; P416-L418 VanDerWaalsContact C-N 3.25Å; P416-L418 HydrophobicContact CB-CD1 4.45Å; P416-L418 HydrophobicContact CB-CG 4.28Å; P416-L418 HydrophobicContact CG-CD1 4.36Å; P416-L418 PolarHBondContact O-N 3.4Å; L418-I420 WeakPolarHBondContact O-CG1 3.45Å; L418-D492 HydrophobicContact CB-CB 4.25Å; L418-D492 HydrophobicContact CD2-CB 4.18Å; L418-V493 HydrophobicContact CB-CG2 4.21Å; L418-V493 HydrophobicContact CD1-CG2 3.66Å
419	S	87.4	Confident	77	Confident	51 Å²	51	78.1 Å²	78.1	36%	0.357	41%	0.412	S	S	.	.			trans	-75	129.9	172.8	62.7	0	0	0	0	110.4	A491 D492 V493	S419-A491 VanDerWaalsContact OG-CA 3.31Å; S419-A491 WeakPolarHBondContact OG-CA 3.42Å; S419-D492 PolarHBondContact N-OD2 3.05Å; S419-D492 VanDerWaalsContact N-OD2 3.16Å; S419-D492 PolarHBondContact O-N 3.45Å; S419-D492 PolarHBondContact OG-N 2.7Å; S419-D492 PolarHBondContact OG-OD2 3.46Å; S419-V493 PolarHBondContact O-N 3.07Å
420	I	90.3	Very high	76.6	Confident	73 Å²	73	83 Å²	83	37%	0.374	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.6	-171.3	-57.1	179.7	0	0	0	111.1	L402 L418 V493 L495	L402-I420 WeakPolarHBondContact O-CD1 3.48Å; L418-I420 WeakPolarHBondContact O-CG1 3.45Å; I420-V493 WeakPolarHBondContact CA-O 3.23Å; I420-L495 HydrophobicContact CG2-CD1 3.4Å; I420-L495 VanDerWaalsContact CG2-CD1 3.4Å; I420-L495 HydrophobicContact CG2-CG 3.77Å
421	S	93.2	Very high	76.6	Confident	3 Å²	3	80 Å²	80	2%	0.021	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.9	166.3	-172.2	0	0	0	0	109.9	C486 A491 V493 L495	S421-C486 PolarHBondContact OG-O 3.16Å; S421-C486 PolarHBondContact OG-SG 2.9Å; S421-A491 VanDerWaalsContact N-CB 3.32Å; S421-V493 PolarHBondContact N-O 2.72Å; S421-L495 PolarHBondContact O-N 3.45Å
422	Y	92.3	Very high	77.5	Confident	43 Å²	43	77.3 Å²	77.3	17%	0.169	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.8	-174.9	174.2	-117.2	0	0	0	112.3	I399 K405 P424 L495 D497	I399-Y422 HydrophobicContact CG2-CD2 3.71Å; I399-Y422 HydrophobicContact CG2-CE2 3.36Å; K405-Y422 VanDerWaalsContact NZ-CD1 3.29Å; Y422-P424 HydrophobicContact CE1-CB 3.83Å; Y422-L495 WeakPolarHBondContact CA-O 3.5Å; Y422-L495 HydrophobicContact CD2-CB 3.92Å; Y422-D497 HydrophobicContact CE2-CB 4.38Å
423	K	92.3	Very high	78.7	Confident	1 Å²	1	77.5 Å²	77.5	0%	0.004	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118	166.1	-177.4	-92	175.2	-156.9	0	109.4	Q425 Q479 C486 L495 I496 D497 E498	K423-Q425 PolarHBondContact NZ-O 3.2Å; K423-Q479 VanDerWaalsContact CE-NE2 3.32Å; K423-C486 HydrophobicContact CB-CB 3.97Å; K423-L495 PolarHBondContact N-O 2.88Å; K423-I496 HydrophobicContact CB-CG2 4.24Å; K423-I496 HydrophobicContact CD-CG2 4.18Å; K423-I496 HydrophobicContact CG-CG2 4.46Å; K423-D497 VanDerWaalsContact CD-O 3.26Å; K423-D497 WeakPolarHBondContact CD-O 3.46Å; K423-D497 PolarHBondContact NZ-O 2.78Å; K423-D497 WeakPolarHBondContact O-CB 3.3Å; K423-D497 PolarHBondContact O-N 2.77Å; K423-E498 PolarHBondContact NZ-O 3.5Å; K423-E498 VanDerWaalsContact NZ-O 3.12Å
424	P	86.5	Confident	80.1	Confident	51 Å²	51	79.4 Å²	79.4	33%	0.331	40%	0.402	S	S	.	.			trans	-74.8	151.8	178.6	30.8	-34.6	0	0	0	112.9	Y422	Y422-P424 HydrophobicContact CE1-CB 3.83Å
425	Q	80.5	Confident	81.3	Confident	67 Å²	67	70.4 Å²	70.4	31%	0.313	36%	0.36	S	S	.	.	S	Bend	trans	-59.5	-56.7	175.1	-170.8	-172.7	20.7	0	0	111.4	K423 D497 E498	K423-Q425 PolarHBondContact NZ-O 3.2Å; Q425-D497 HydrophobicContact CB-CB 4.34Å; Q425-E498 HydrophobicContact CG-CB 4.41Å; Q425-E498 HydrophobicContact CG-CG 4.43Å; Q425-E498 WeakPolarHBondContact CG-OE2 3.34Å; Q425-E498 PolarHBondContact NE2-OE1 3.13Å; Q425-E498 VanDerWaalsContact NE2-OE1 3.13Å; Q425-E498 PolarHBondContact NE2-OE2 3.27Å
426	K	75.7	Confident	82.1	Confident	176 Å²	176	68.7 Å²	68.7	77%	0.765	35%	0.353	S	S	*	.	S	Bend	trans	-87.5	122.3	177.2	-65.8	-175.1	179.5	-176.4	0	110.4
427	I	77.6	Confident	83.2	Confident	47 Å²	47	71.2 Å²	71.2	24%	0.241	36%	0.361	C	S	.	.			trans	-107.9	122	174.3	-48.1	166.9	0	0	0	108.2	L478 Q479 A482	I427-L478 HydrophobicContact CB-CD2 4.16Å; I427-L478 HydrophobicContact CB-CG 4.34Å; I427-L478 HydrophobicContact CG2-CD1 4.1Å; I427-L478 HydrophobicContact CG2-CD2 3.72Å; I427-L478 HydrophobicContact CG2-CG 3.65Å; I427-Q479 HydrophobicContact CD1-CB 4.38Å; I427-A482 HydrophobicContact CD1-CB 3.44Å; I427-A482 VanDerWaalsContact CD1-CB 3.44Å; I427-A482 HydrophobicContact CG1-CB 4.24Å; I427-A482 HydrophobicContact CG2-CB 4.49Å
428	S	73.5	Confident	84	Confident	81 Å²	81	63 Å²	63	57%	0.566	32%	0.324	S	S	*	.			trans	-117.4	133.3	173.4	-53.3	0	0	0	0	109	K430	S428-K430 PolarHBondContact O-N 2.98Å
429	P	71.5	Confident	84.4	Confident	55 Å²	55	61.4 Å²	61.4	36%	0.357	32%	0.315	S	S	.	.			trans	-73.7	90.8	178.9	30.5	-33.7	0	0	0	109.8	V470 Q471 L478	P429-V470 HydrophobicContact CB-CG1 4Å; P429-V470 WeakPolarHBondContact CB-O 3.27Å; P429-Q471 HydrophobicContact CB-CG 4.45Å; P429-L478 HydrophobicContact CB-CD2 4.43Å
430	K	75.1	Confident	84.5	Confident	192 Å²	192	66.5 Å²	66.5	84%	0.835	33%	0.327	S	S	*	.			trans	-86.2	-23.7	178.9	-67.5	-172.7	178.9	-174.1	0	113.6	S428	S428-K430 PolarHBondContact O-N 2.98Å
431	S	75	Confident	84.5	Confident	34 Å²	34	66.8 Å²	66.8	24%	0.238	34%	0.34	C	S	.	.			trans	-94	128.3	-174.2	55.6	0	0	0	0	111.7	C433	S431-C433 PolarHBondContact O-N 3.33Å
432	Q	80.1	Confident	84.3	Confident	158 Å²	158	72.6 Å²	72.6	74%	0.738	37%	0.365	S	S	*	.			trans	-81.3	7.8	173.2	-75.6	-179.8	-11.3	0	0	113.6
433	C	86.5	Confident	84.2	Confident	33 Å²	33	70.8 Å²	70.8	22%	0.223	36%	0.358	C	S	.	.	S	Bend	trans	-84.9	166.9	-179.1	67.8	0	0	0	0	112.1	S431 E437 V470	S431-C433 PolarHBondContact O-N 3.33Å; C433-E437 HydrophobicContact CB-CB 4.11Å; C433-E437 WeakPolarHBondContact CB-OE2 3.39Å; C433-V470 WeakPolarHBondContact O-CG2 3.48Å; C433-V470 PolarHBondContact O-N 2.96Å
434	K	88.1	Confident	84	Confident	85 Å²	85	73.6 Å²	73.6	37%	0.37	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-68.2	157	168.2	-66.9	178	-178.3	171	0	110.9	S436 E437 L438 Q468	K434-S436 VanDerWaalsContact C-N 3.3Å; K434-S436 PolarHBondContact O-N 3.05Å; K434-E437 HydrophobicContact CB-CB 4.45Å; K434-E437 HydrophobicContact CB-CG 4.22Å; K434-E437 PolarHBondContact N-OE2 3.31Å; K434-E437 VanDerWaalsContact N-OE2 3.1Å; K434-E437 PolarHBondContact O-N 3.33Å; K434-L438 PolarHBondContact O-N 3.13Å; K434-Q468 WeakPolarHBondContact CA-O 3.39Å
435	V	88	Confident	84.1	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-59.9	-41.7	175.6	176.6	0	0	0	0	111.2	E437 L438 L439 L465 Q468 V470 L473 V481	V435-E437 VanDerWaalsContact C-N 3.33Å; V435-E437 PolarHBondContact O-N 2.79Å; V435-L438 WeakPolarHBondContact O-CB 3.45Å; V435-L438 PolarHBondContact O-N 3.4Å; V435-L439 HydrophobicContact CG1-CD1 3.99Å; V435-L439 HydrophobicContact CG1-CG 4.2Å; V435-L439 VanDerWaalsContact O-CG 3.31Å; V435-L439 WeakPolarHBondContact O-CG 3.27Å; V435-L439 PolarHBondContact O-N 3.49Å; V435-L465 WeakPolarHBondContact CB-O 3.32Å; V435-L465 WeakPolarHBondContact CG2-O 3.34Å; V435-Q468 WeakPolarHBondContact CG2-O 3.45Å; V435-Q468 PolarHBondContact N-O 3.5Å; V435-V470 HydrophobicContact CG2-CG2 4.01Å; V435-L473 HydrophobicContact CG2-CD1 3.72Å; V435-L473 HydrophobicContact CG2-CD2 4.36Å; V435-L473 HydrophobicContact CG2-CG 4.42Å; V435-V481 HydrophobicContact CG1-CG1 4.21Å; V435-V481 HydrophobicContact CG1-CG2 3.86Å; V435-V481 HydrophobicContact CG2-CG2 4.36Å
436	S	87.9	Confident	84.4	Confident	22 Å²	22	75.5 Å²	75.5	15%	0.154	39%	0.389	C	S	.	.	H	α-helix	trans	-59.7	-41	176.7	49.6	0	0	0	0	113.1	K434 R440 K466	K434-S436 VanDerWaalsContact C-N 3.3Å; K434-S436 PolarHBondContact O-N 3.05Å; S436-R440 WeakPolarHBondContact O-CB 3.22Å; S436-R440 PolarHBondContact O-N 3.01Å; S436-K466 VanDerWaalsContact CB-O 3.25Å; S436-K466 WeakPolarHBondContact CB-O 3.3Å; S436-K466 PolarHBondContact N-O 2.95Å; S436-K466 PolarHBondContact OG-O 2.88Å
437	E	90.5	Very high	84.9	Confident	92 Å²	92	68.8 Å²	68.8	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-66.6	-42	175.4	-68.5	164.3	-172.1	0	0	111	C433 K434 V435 R440 A441	C433-E437 HydrophobicContact CB-CB 4.11Å; C433-E437 WeakPolarHBondContact CB-OE2 3.39Å; K434-E437 HydrophobicContact CB-CB 4.45Å; K434-E437 HydrophobicContact CB-CG 4.22Å; K434-E437 PolarHBondContact N-OE2 3.31Å; K434-E437 VanDerWaalsContact N-OE2 3.1Å; K434-E437 PolarHBondContact O-N 3.33Å; V435-E437 VanDerWaalsContact C-N 3.33Å; V435-E437 PolarHBondContact O-N 2.79Å; E437-R440 PolarHBondContact O-N 2.87Å; E437-A441 WeakPolarHBondContact O-CB 3.36Å; E437-A441 PolarHBondContact O-N 3.46Å
438	L	90.4	Very high	85.4	Confident	25 Å²	25	72.8 Å²	72.8	13%	0.131	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-46.4	176.6	-173.8	64.3	0	0	0	111.8	K434 V435 A441 K442 V470 V481 L485	K434-L438 PolarHBondContact O-N 3.13Å; V435-L438 WeakPolarHBondContact O-CB 3.45Å; V435-L438 PolarHBondContact O-N 3.4Å; L438-A441 PolarHBondContact O-N 3.04Å; L438-K442 HydrophobicContact CD1-CG 4.28Å; L438-K442 WeakPolarHBondContact O-CB 3.37Å; L438-K442 WeakPolarHBondContact O-CG 3.46Å; L438-K442 PolarHBondContact O-N 2.95Å; L438-V470 HydrophobicContact CD2-CG2 3.89Å; L438-V481 HydrophobicContact CD2-CG1 4.29Å; L438-L485 HydrophobicContact CD2-CD1 3.83Å; L438-L485 HydrophobicContact CG-CD1 4.23Å
439	L	89.8	Confident	86.2	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-64.5	-45.8	178.4	-66.5	175.9	0	0	0	110.6	V435 A441 K442 I443 F447 L485	V435-L439 HydrophobicContact CG1-CD1 3.99Å; V435-L439 HydrophobicContact CG1-CG 4.2Å; V435-L439 VanDerWaalsContact O-CG 3.31Å; V435-L439 WeakPolarHBondContact O-CG 3.27Å; V435-L439 PolarHBondContact O-N 3.49Å; L439-A441 VanDerWaalsContact C-N 3.31Å; L439-A441 PolarHBondContact O-N 3.21Å; L439-K442 PolarHBondContact O-N 2.85Å; L439-I443 HydrophobicContact CB-CG1 4.33Å; L439-I443 HydrophobicContact CD2-CD1 3.96Å; L439-I443 HydrophobicContact CD2-CG1 4.36Å; L439-I443 CarbonylContact O-C 3.46Å; L439-I443 WeakPolarHBondContact O-CA 3.27Å; L439-I443 WeakPolarHBondContact O-CG1 3.42Å; L439-I443 PolarHBondContact O-N 2.81Å; L439-F447 HydrophobicContact CB-CD2 3.97Å; L439-F447 HydrophobicContact CB-CE2 4.23Å; L439-F447 HydrophobicContact CD1-CD2 4.13Å; L439-F447 HydrophobicContact CD1-CE2 3.9Å; L439-L485 HydrophobicContact CD2-CD2 3.79Å; L439-L485 HydrophobicContact CD2-CG 4.08Å
440	R	90.6	Very high	87	Confident	158 Å²	158	75.4 Å²	75.4	60%	0.596	39%	0.387	S	S	*	.	H	α-helix	trans	-63.9	-36.1	177.6	-172.7	176.2	-74.7	142.5	-5	112.4	S436 E437	S436-R440 WeakPolarHBondContact O-CB 3.22Å; S436-R440 PolarHBondContact O-N 3.01Å; E437-R440 PolarHBondContact O-N 2.87Å
441	A	90	Very high	87.6	Confident	80 Å²	80	72.5 Å²	72.5	66%	0.661	38%	0.377	S	S	*	.	H	α-helix	trans	-73	-30.8	178.9	0	0	0	0	0	113.3	E437 L438 L439	E437-A441 WeakPolarHBondContact O-CB 3.36Å; E437-A441 PolarHBondContact O-N 3.46Å; L438-A441 PolarHBondContact O-N 3.04Å; L439-A441 VanDerWaalsContact C-N 3.31Å; L439-A441 PolarHBondContact O-N 3.21Å
442	K	88.6	Confident	88.3	Confident	125 Å²	125	71.5 Å²	71.5	54%	0.543	37%	0.368	S	S	.	.	H	α-helix	trans	-101.2	-31	-175.1	-68	-60.5	-176.5	-169.5	0	114.4	L438 L439 L485	L438-K442 HydrophobicContact CD1-CG 4.28Å; L438-K442 WeakPolarHBondContact O-CB 3.37Å; L438-K442 WeakPolarHBondContact O-CG 3.46Å; L438-K442 PolarHBondContact O-N 2.95Å; L439-K442 PolarHBondContact O-N 2.85Å; K442-L485 HydrophobicContact CB-CD2 3.65Å; K442-L485 HydrophobicContact CG-CD2 4.14Å
443	I	89.6	Confident	88.8	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	34%	0.342	C	S	.	.			trans	-139.9	57.1	-173.1	58.5	163.4	0	0	0	111.4	L439 D445 A446 F447 F452 G488 K489	L439-I443 HydrophobicContact CB-CG1 4.33Å; L439-I443 HydrophobicContact CD2-CD1 3.96Å; L439-I443 HydrophobicContact CD2-CG1 4.36Å; L439-I443 CarbonylContact O-C 3.46Å; L439-I443 WeakPolarHBondContact O-CA 3.27Å; L439-I443 WeakPolarHBondContact O-CG1 3.42Å; L439-I443 PolarHBondContact O-N 2.81Å; I443-D445 PolarHBondContact O-N 3.44Å; I443-A446 HydrophobicContact CB-CB 4.33Å; I443-F447 WeakPolarHBondContact O-CB 3.27Å; I443-F447 PolarHBondContact O-N 2.79Å; I443-F452 HydrophobicContact CD1-CE1 3.85Å; I443-F452 HydrophobicContact CD1-CZ 4.12Å; I443-G488 WeakPolarHBondContact CG2-O 3.25Å; I443-K489 HydrophobicContact CG2-CG 4.06Å
444	P	89.1	Confident	88.9	Confident	60 Å²	60	65.8 Å²	65.8	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-57.3	-46.5	-173.8	23.2	-33.1	0	0	0	112.7	I448	P444-I448 WeakPolarHBondContact O-CD1 3.4Å; P444-I448 WeakPolarHBondContact O-CG1 3.5Å; P444-I448 PolarHBondContact O-N 3.06Å
445	D	87.6	Confident	88.8	Confident	136 Å²	136	62.4 Å²	62.4	73%	0.727	34%	0.335	S	S	*	.	H	α-helix	trans	-71.5	-47.6	-175.1	-55.3	-37.2	0	0	0	112	I443 F447 I448 H449	I443-D445 PolarHBondContact O-N 3.44Å; D445-F447 VanDerWaalsContact C-N 3.29Å; D445-F447 PolarHBondContact O-N 2.81Å; D445-I448 PolarHBondContact O-N 2.91Å; D445-H449 PolarHBondContact O-N 3.5Å; D445-H449 VanDerWaalsContact O-N 3.15Å
446	A	87.4	Confident	88.9	Confident	21 Å²	21	62.4 Å²	62.4	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-35.7	179.1	0	0	0	0	0	111.7	I443 I448 H449 F452 G488	I443-A446 HydrophobicContact CB-CB 4.33Å; A446-I448 VanDerWaalsContact C-N 3.27Å; A446-I448 PolarHBondContact O-N 2.86Å; A446-H449 PolarHBondContact O-N 3.23Å; A446-F452 HydrophobicContact CB-CD1 4.11Å; A446-F452 HydrophobicContact CB-CD2 4.26Å; A446-F452 HydrophobicContact CB-CE1 4.32Å; A446-F452 HydrophobicContact CB-CE2 4.46Å; A446-F452 HydrophobicContact CB-CG 4.08Å; A446-F452 HydrophobicContact CB-CZ 4.49Å; A446-F452 VanDerWaalsContact O-CB 3.23Å; A446-F452 WeakPolarHBondContact O-CB 3.04Å; A446-F452 WeakPolarHBondContact O-CD1 3.35Å; A446-F452 WeakPolarHBondContact O-CG 3.42Å; A446-G488 WeakPolarHBondContact CB-O 3.15Å
447	F	86.5	Confident	89	Confident	35 Å²	35	61.4 Å²	61.4	15%	0.154	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-31.7	178.7	-175.8	-106	0	0	0	113.1	L439 I443 D445 L457	L439-F447 HydrophobicContact CB-CD2 3.97Å; L439-F447 HydrophobicContact CB-CE2 4.23Å; L439-F447 HydrophobicContact CD1-CD2 4.13Å; L439-F447 HydrophobicContact CD1-CE2 3.9Å; I443-F447 WeakPolarHBondContact O-CB 3.27Å; I443-F447 PolarHBondContact O-N 2.79Å; D445-F447 VanDerWaalsContact C-N 3.29Å; D445-F447 PolarHBondContact O-N 2.81Å; F447-L457 HydrophobicContact CD2-CD1 3.86Å; F447-L457 HydrophobicContact CE2-CD1 4.05Å
448	I	88.1	Confident	88.9	Confident	132 Å²	132	63.2 Å²	63.2	68%	0.677	33%	0.334	S	S	*	.	H	α-helix	trans	-80.7	-28.9	177.7	-63.3	166.8	0	0	0	110.9	P444 D445 A446 P450	P444-I448 WeakPolarHBondContact O-CD1 3.4Å; P444-I448 WeakPolarHBondContact O-CG1 3.5Å; P444-I448 PolarHBondContact O-N 3.06Å; D445-I448 PolarHBondContact O-N 2.91Å; A446-I448 VanDerWaalsContact C-N 3.27Å; A446-I448 PolarHBondContact O-N 2.86Å; I448-P450 WeakPolarHBondContact O-CD 3.15Å
449	H	89.6	Confident	88.7	Confident	90 Å²	90	64.5 Å²	64.5	42%	0.417	34%	0.344	S	S	.	.			trans	-65.9	122	-173	-159.6	-94	0	0	0	113	D445 A446 Q451 F452 S453	D445-H449 PolarHBondContact O-N 3.5Å; D445-H449 VanDerWaalsContact O-N 3.15Å; A446-H449 PolarHBondContact O-N 3.23Å; H449-Q451 VanDerWaalsContact C-N 3.29Å; H449-Q451 PolarHBondContact CE1-OE1 3.39Å; H449-Q451 WeakPolarHBondContact ND1-CB 3.48Å; H449-Q451 PolarHBondContact ND1-N 3.28Å; H449-Q451 PolarHBondContact O-N 2.83Å; H449-F452 HydrophobicContact CB-CB 4.25Å; H449-F452 PolarHBondContact O-N 3.13Å; H449-F452 VanDerWaalsContact O-N 3.14Å; H449-S453 PolarHBondContact O-N 2.86Å; H449-S453 VanDerWaalsContact O-N 3.17Å
450	P	89.2	Confident	88.6	Confident	100 Å²	100	64.8 Å²	64.8	65%	0.649	35%	0.345	S	S	*	.	H	α-helix	trans	-59.7	-35.6	-176.7	-26.2	34.5	0	0	0	114.1	I448 S453 A454	I448-P450 WeakPolarHBondContact O-CD 3.15Å; P450-S453 WeakPolarHBondContact O-CB 3.26Å; P450-S453 PolarHBondContact O-N 3.31Å; P450-A454 PolarHBondContact O-N 3.5Å
451	Q	87.6	Confident	88.3	Confident	132 Å²	132	60.5 Å²	60.5	62%	0.617	33%	0.334	S	S	*	.	H	α-helix	trans	-66.8	-40.2	178.7	-61.4	178.2	-16.2	0	0	111.5	H449 S453 A454 D455	H449-Q451 VanDerWaalsContact C-N 3.29Å; H449-Q451 PolarHBondContact CE1-OE1 3.39Å; H449-Q451 WeakPolarHBondContact ND1-CB 3.48Å; H449-Q451 PolarHBondContact ND1-N 3.28Å; H449-Q451 PolarHBondContact O-N 2.83Å; Q451-S453 VanDerWaalsContact C-N 3.29Å; Q451-S453 PolarHBondContact O-N 3.06Å; Q451-A454 PolarHBondContact O-N 2.83Å; Q451-D455 WeakPolarHBondContact O-CB 3.22Å; Q451-D455 PolarHBondContact O-N 3.3Å
452	F	90	Very high	88.1	Confident	12 Å²	12	56.7 Å²	56.7	5%	0.053	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-36	177.6	-173.5	-100.9	0	0	0	111.3	I443 A446 H449 V456 L457 L487 G488 F518	I443-F452 HydrophobicContact CD1-CE1 3.85Å; I443-F452 HydrophobicContact CD1-CZ 4.12Å; A446-F452 HydrophobicContact CB-CD1 4.11Å; A446-F452 HydrophobicContact CB-CD2 4.26Å; A446-F452 HydrophobicContact CB-CE1 4.32Å; A446-F452 HydrophobicContact CB-CE2 4.46Å; A446-F452 HydrophobicContact CB-CG 4.08Å; A446-F452 HydrophobicContact CB-CZ 4.49Å; A446-F452 VanDerWaalsContact O-CB 3.23Å; A446-F452 WeakPolarHBondContact O-CB 3.04Å; A446-F452 WeakPolarHBondContact O-CD1 3.35Å; A446-F452 WeakPolarHBondContact O-CG 3.42Å; H449-F452 HydrophobicContact CB-CB 4.25Å; H449-F452 PolarHBondContact O-N 3.13Å; H449-F452 VanDerWaalsContact O-N 3.14Å; F452-V456 HydrophobicContact CD2-CB 4.19Å; F452-V456 HydrophobicContact CD2-CG2 3.85Å; F452-V456 HydrophobicContact CE1-CB 4.36Å; F452-V456 HydrophobicContact CE1-CG1 4.44Å; F452-V456 HydrophobicContact CE2-CB 3.91Å; F452-V456 HydrophobicContact CE2-CG1 4.12Å; F452-V456 HydrophobicContact CE2-CG2 3.66Å; F452-V456 HydrophobicContact CZ-CB 4Å; F452-V456 HydrophobicContact CZ-CG1 3.88Å; F452-V456 HydrophobicContact CZ-CG2 4.25Å; F452-V456 WeakPolarHBondContact O-CA 3.19Å; F452-V456 WeakPolarHBondContact O-CB 3.41Å; F452-V456 PolarHBondContact O-N 3.49Å; F452-L457 HydrophobicContact CD1-CD1 4.23Å; F452-L457 HydrophobicContact CD1-CD2 4.32Å; F452-L457 HydrophobicContact CD1-CG 3.97Å; F452-L457 HydrophobicContact CE1-CD1 4.47Å; F452-L457 HydrophobicContact CE1-CD2 3.81Å; F452-L457 HydrophobicContact CE1-CG 3.97Å; F452-L457 PolarHBondContact O-N 3Å; F452-L487 HydrophobicContact CE2-CB 4.27Å; F452-G488 VanDerWaalsContact CZ-CA 3.44Å; F452-F518 AromaticContact CD2-CE2 3.92Å; F452-F518 HydrophobicContact CD2-CE2 3.92Å; F452-F518 HydrophobicContact CE2-CE2 4.13Å
453	S	89.3	Confident	87.9	Confident	27 Å²	27	54 Å²	54	19%	0.189	30%	0.295	C	S	.	.	I	π-helix	trans	-61.6	-44.5	172	-178.5	0	0	0	0	112.3	H449 P450 Q451 L457 K458	H449-S453 PolarHBondContact O-N 2.86Å; H449-S453 VanDerWaalsContact O-N 3.17Å; P450-S453 WeakPolarHBondContact O-CB 3.26Å; P450-S453 PolarHBondContact O-N 3.31Å; Q451-S453 VanDerWaalsContact C-N 3.29Å; Q451-S453 PolarHBondContact O-N 3.06Å; S453-L457 PolarHBondContact O-N 3.19Å; S453-K458 WeakPolarHBondContact O-CB 3.48Å; S453-K458 WeakPolarHBondContact O-CG 3.3Å; S453-K458 PolarHBondContact O-N 3.27Å
454	A	88.1	Confident	87.4	Confident	45 Å²	45	57.3 Å²	57.3	37%	0.372	31%	0.312	S	S	.	.	I	π-helix	trans	-72	-38.1	-179.5	0	0	0	0	0	113.5	P450 Q451 P459	P450-A454 PolarHBondContact O-N 3.5Å; Q451-A454 PolarHBondContact O-N 2.83Å; A454-P459 VanDerWaalsContact O-CD 3.31Å; A454-P459 WeakPolarHBondContact O-CD 3.39Å; A454-P459 VanDerWaalsContact O-CG 3.29Å; A454-P459 WeakPolarHBondContact O-CG 3.44Å
455	D	86.9	Confident	87.1	Confident	14 Å²	14	54.5 Å²	54.5	8%	0.075	29%	0.294	C	S	.	.	I	π-helix	trans	-87.4	-31.9	-174.6	-73.9	-15.1	0	0	0	112.9	Q451 R517 H521	Q451-D455 WeakPolarHBondContact O-CB 3.22Å; Q451-D455 PolarHBondContact O-N 3.3Å; D455-R517 IonicContact OD1-CZ 3.59Å; D455-R517 IonicContact OD1-NE 3.39Å; D455-R517 PolarHBondContact OD1-NE 3.18Å; D455-R517 IonicContact OD1-NH1 3.47Å; D455-R517 PolarHBondContact OD1-NH1 2.97Å; D455-R517 VanDerWaalsContact OD1-NH1 3.14Å; D455-R517 IonicContact OD1-NH2 3.4Å; D455-R517 PolarHBondContact OD1-NH2 3.42Å; D455-H521 IonicContact OD2-CE1 2.78Å; D455-H521 IonicContact OD2-ND1 3.42Å; D455-H521 PolarHBondContact OD2-ND1 3.38Å
456	V	90.1	Very high	86.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	I	π-helix	trans	-120.6	-56.6	-172.5	-175.3	0	0	0	0	112.7	F452 P459 L460 A484 L487 V514 F518	F452-V456 HydrophobicContact CD2-CB 4.19Å; F452-V456 HydrophobicContact CD2-CG2 3.85Å; F452-V456 HydrophobicContact CE1-CB 4.36Å; F452-V456 HydrophobicContact CE1-CG1 4.44Å; F452-V456 HydrophobicContact CE2-CB 3.91Å; F452-V456 HydrophobicContact CE2-CG1 4.12Å; F452-V456 HydrophobicContact CE2-CG2 3.66Å; F452-V456 HydrophobicContact CZ-CB 4Å; F452-V456 HydrophobicContact CZ-CG1 3.88Å; F452-V456 HydrophobicContact CZ-CG2 4.25Å; F452-V456 WeakPolarHBondContact O-CA 3.19Å; F452-V456 WeakPolarHBondContact O-CB 3.41Å; F452-V456 PolarHBondContact O-N 3.49Å; V456-P459 WeakPolarHBondContact O-CD 3.48Å; V456-L460 HydrophobicContact CG1-CD1 3.79Å; V456-L460 VanDerWaalsContact O-CB 3.31Å; V456-L460 WeakPolarHBondContact O-CB 3.21Å; V456-L460 VanDerWaalsContact O-CG 3.29Å; V456-L460 WeakPolarHBondContact O-CG 3.16Å; V456-L460 PolarHBondContact O-N 3.28Å; V456-L460 VanDerWaalsContact O-N 3.15Å; V456-A484 HydrophobicContact CG1-CB 4.05Å; V456-L487 HydrophobicContact CG1-CD1 4.2Å; V456-L487 HydrophobicContact CG2-CD1 4.26Å; V456-V514 HydrophobicContact CB-CG1 4.22Å; V456-V514 HydrophobicContact CG1-CG1 4.12Å; V456-V514 HydrophobicContact CG2-CG1 3.97Å; V456-F518 HydrophobicContact CG2-CD2 3.87Å; V456-F518 HydrophobicContact CG2-CE2 4.49Å; V456-F518 HydrophobicContact CG2-CG 4.39Å
457	L	90.2	Very high	86.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.288	C	S	.	.	I	π-helix	trans	-68.1	-47.4	-169.6	-59.2	179.1	0	0	0	113.5	F447 F452 S453 D461 L462 A484	F447-L457 HydrophobicContact CD2-CD1 3.86Å; F447-L457 HydrophobicContact CE2-CD1 4.05Å; F452-L457 HydrophobicContact CD1-CD1 4.23Å; F452-L457 HydrophobicContact CD1-CD2 4.32Å; F452-L457 HydrophobicContact CD1-CG 3.97Å; F452-L457 HydrophobicContact CE1-CD1 4.47Å; F452-L457 HydrophobicContact CE1-CD2 3.81Å; F452-L457 HydrophobicContact CE1-CG 3.97Å; F452-L457 PolarHBondContact O-N 3Å; S453-L457 PolarHBondContact O-N 3.19Å; L457-D461 PolarHBondContact O-N 2.89Å; L457-L462 HydrophobicContact CD2-CD1 3.71Å; L457-L462 PolarHBondContact O-N 3.21Å; L457-A484 HydrophobicContact CD2-CB 4.35Å
458	K	87.9	Confident	86.5	Confident	130 Å²	130	54.8 Å²	54.8	57%	0.565	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-47.3	179.7	-69	177	-177.5	178.8	0	111.9	S453 L460 D461	S453-K458 WeakPolarHBondContact O-CB 3.48Å; S453-K458 WeakPolarHBondContact O-CG 3.3Å; S453-K458 PolarHBondContact O-N 3.27Å; K458-L460 VanDerWaalsContact C-N 3.28Å; K458-L460 PolarHBondContact O-N 2.82Å; K458-D461 PolarHBondContact O-N 3.32Å
459	P	87.1	Confident	86.3	Confident	51 Å²	51	52.8 Å²	52.8	33%	0.331	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.5	179.7	-24.9	38	0	0	0	114.1	A454 V456 D461 V514	A454-P459 VanDerWaalsContact O-CD 3.31Å; A454-P459 WeakPolarHBondContact O-CD 3.39Å; A454-P459 VanDerWaalsContact O-CG 3.29Å; A454-P459 WeakPolarHBondContact O-CG 3.44Å; V456-P459 WeakPolarHBondContact O-CD 3.48Å; P459-D461 VanDerWaalsContact C-N 3.26Å; P459-V514 HydrophobicContact CB-CG2 3.59Å; P459-V514 HydrophobicContact CG-CG2 4.32Å
460	L	87.4	Confident	86.2	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.031	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	3.4	172.3	-65.4	177.8	0	0	0	113.1	V456 K458 L462 R480 L483 A484 A511 V514	V456-L460 HydrophobicContact CG1-CD1 3.79Å; V456-L460 VanDerWaalsContact O-CB 3.31Å; V456-L460 WeakPolarHBondContact O-CB 3.21Å; V456-L460 VanDerWaalsContact O-CG 3.29Å; V456-L460 WeakPolarHBondContact O-CG 3.16Å; V456-L460 PolarHBondContact O-N 3.28Å; V456-L460 VanDerWaalsContact O-N 3.15Å; K458-L460 VanDerWaalsContact C-N 3.28Å; K458-L460 PolarHBondContact O-N 2.82Å; L460-L462 HydrophobicContact CB-CD1 4.43Å; L460-L462 HydrophobicContact CB-CG 4Å; L460-L462 PolarHBondContact O-N 2.95Å; L460-R480 HydrophobicContact CD2-CG 4.47Å; L460-R480 WeakPolarHBondContact O-CD 3.27Å; L460-R480 PolarHBondContact O-NH1 3.3Å; L460-L483 HydrophobicContact CD1-CB 4.33Å; L460-A484 HydrophobicContact CD1-CB 4.34Å; L460-A511 HydrophobicContact CD2-CB 4.43Å; L460-V514 HydrophobicContact CD1-CG1 4.44Å; L460-V514 HydrophobicContact CD2-CG2 4.36Å; L460-V514 HydrophobicContact CG-CG1 4.47Å; L460-V514 HydrophobicContact CG-CG2 4.36Å
461	D	84.7	Confident	85.9	Confident	69 Å²	69	48.1 Å²	48.1	37%	0.369	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	43.3	-179.3	-174.7	42.6	0	0	0	113	L457 K458 P459 D463 N464 R480	L457-D461 PolarHBondContact O-N 2.89Å; K458-D461 PolarHBondContact O-N 3.32Å; P459-D461 VanDerWaalsContact C-N 3.26Å; D461-D463 VanDerWaalsContact C-N 3.3Å; D461-N464 PolarHBondContact OD1-ND2 3.16Å; D461-N464 PolarHBondContact OD2-ND2 2.81Å; D461-N464 VanDerWaalsContact OD2-ND2 3.15Å; D461-R480 IonicContact OD2-NH1 3.07Å
462	L	86	Confident	85.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.			trans	-78.3	-16	179.2	-66.7	-175.7	0	0	0	112.9	L457 L460 N464 L465 K466 R480 V481 A484	L457-L462 HydrophobicContact CD2-CD1 3.71Å; L457-L462 PolarHBondContact O-N 3.21Å; L460-L462 HydrophobicContact CB-CD1 4.43Å; L460-L462 HydrophobicContact CB-CG 4Å; L460-L462 PolarHBondContact O-N 2.95Å; L462-N464 PolarHBondContact O-N 2.84Å; L462-L465 HydrophobicContact CD2-CD1 3.84Å; L462-L465 PolarHBondContact O-N 2.99Å; L462-K466 WeakPolarHBondContact O-CG 3.23Å; L462-K466 PolarHBondContact O-N 3.28Å; L462-R480 HydrophobicContact CD2-CB 4Å; L462-V481 HydrophobicContact CD2-CG2 3.87Å; L462-A484 HydrophobicContact CD1-CB 3.34Å
463	D	82.7	Confident	85.3	Confident	69 Å²	69	47.6 Å²	47.6	37%	0.369	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.8	178.7	-74.2	-29.4	0	0	0	112	D461 L465 K466	D461-D463 VanDerWaalsContact C-N 3.3Å; D463-L465 VanDerWaalsContact C-N 3.28Å; D463-L465 PolarHBondContact O-N 2.79Å; D463-K466 WeakPolarHBondContact OD1-CE 3.48Å; D463-K466 IonicContact OD1-NZ 3.18Å; D463-K466 PolarHBondContact OD1-NZ 2.74Å
464	N	79.8	Confident	84.8	Confident	73 Å²	73	49.2 Å²	49.2	39%	0.39	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.1	176.9	-74.3	-38.8	0	0	0	114.3	D461 L462	D461-N464 PolarHBondContact OD1-ND2 3.16Å; D461-N464 PolarHBondContact OD2-ND2 2.81Å; D461-N464 VanDerWaalsContact OD2-ND2 3.15Å; L462-N464 PolarHBondContact O-N 2.84Å
465	L	83.9	Confident	84.3	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-12.5	-174.7	-56.7	-179.7	0	0	0	113.1	V435 L462 D463 D467 Q468 L473 E477 V481	V435-L465 WeakPolarHBondContact CB-O 3.32Å; V435-L465 WeakPolarHBondContact CG2-O 3.34Å; L462-L465 HydrophobicContact CD2-CD1 3.84Å; L462-L465 PolarHBondContact O-N 2.99Å; D463-L465 VanDerWaalsContact C-N 3.28Å; D463-L465 PolarHBondContact O-N 2.79Å; L465-D467 PolarHBondContact O-N 3.22Å; L465-D467 VanDerWaalsContact O-N 3.13Å; L465-Q468 PolarHBondContact O-N 3.21Å; L465-L473 HydrophobicContact CD2-CD2 4.15Å; L465-E477 HydrophobicContact CD1-CB 3.83Å; L465-E477 HydrophobicContact CD1-CG 3.83Å; L465-E477 HydrophobicContact CD2-CB 4.34Å; L465-E477 HydrophobicContact CD2-CG 3.79Å; L465-E477 WeakPolarHBondContact CD2-OE1 3.44Å; L465-E477 HydrophobicContact CG-CG 4.47Å; L465-V481 HydrophobicContact CD1-CG2 4.44Å
466	K	83.4	Confident	84.2	Confident	51 Å²	51	48.3 Å²	48.3	22%	0.222	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.8	-174.9	-79.1	172.9	177.9	174.3	0	114.4	S436 L462 D463	S436-K466 VanDerWaalsContact CB-O 3.25Å; S436-K466 WeakPolarHBondContact CB-O 3.3Å; S436-K466 PolarHBondContact N-O 2.95Å; S436-K466 PolarHBondContact OG-O 2.88Å; L462-K466 WeakPolarHBondContact O-CG 3.23Å; L462-K466 PolarHBondContact O-N 3.28Å; D463-K466 WeakPolarHBondContact OD1-CE 3.48Å; D463-K466 IonicContact OD1-NZ 3.18Å; D463-K466 PolarHBondContact OD1-NZ 2.74Å
467	D	81.6	Confident	84	Confident	103 Å²	103	50.3 Å²	50.3	55%	0.551	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-8	-176.3	-67.6	-32.9	0	0	0	113.9	L465	L465-D467 PolarHBondContact O-N 3.22Å; L465-D467 VanDerWaalsContact O-N 3.13Å
468	Q	82.1	Confident	84	Confident	43 Å²	43	51.1 Å²	51.1	20%	0.201	27%	0.273	C	S	.	.	S	Bend	trans	-84.3	151.4	179.8	-66.9	-174	-19.5	0	0	111.3	K434 V435 L465 L473	K434-Q468 WeakPolarHBondContact CA-O 3.39Å; V435-Q468 WeakPolarHBondContact CG2-O 3.45Å; V435-Q468 PolarHBondContact N-O 3.5Å; L465-Q468 PolarHBondContact O-N 3.21Å; Q468-L473 HydrophobicContact CB-CD2 3.95Å; Q468-L473 VanDerWaalsContact OE1-CD2 3.26Å
469	E	85	Confident	84.1	Confident	90 Å²	90	45 Å²	45	42%	0.421	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-79	140.1	171.8	-69.6	170.9	-171.3	0	0	109.9	Q471 N472	E469-Q471 PolarHBondContact O-N 3.26Å; E469-Q471 VanDerWaalsContact O-N 3.15Å; E469-N472 PolarHBondContact O-N 3.13Å; E469-N472 PolarHBondContact OE2-ND2 2.97Å
470	V	86.3	Confident	84.3	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.024	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.3	-28.2	-175.6	178	0	0	0	0	112.2	P429 C433 V435 L438 N472 L478	P429-V470 HydrophobicContact CB-CG1 4Å; P429-V470 WeakPolarHBondContact CB-O 3.27Å; C433-V470 WeakPolarHBondContact O-CG2 3.48Å; C433-V470 PolarHBondContact O-N 2.96Å; V435-V470 HydrophobicContact CG2-CG2 4.01Å; L438-V470 HydrophobicContact CD2-CG2 3.89Å; V470-N472 VanDerWaalsContact C-N 3.31Å; V470-N472 PolarHBondContact O-N 3.28Å; V470-L478 HydrophobicContact CG1-CD1 3.74Å
471	Q	83.9	Confident	84.5	Confident	89 Å²	89	43.4 Å²	43.4	42%	0.416	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-70	-26.2	177.5	-62.9	-169.3	-19.1	0	0	113.8	P429 E469	P429-Q471 HydrophobicContact CB-CG 4.45Å; E469-Q471 PolarHBondContact O-N 3.26Å; E469-Q471 VanDerWaalsContact O-N 3.15Å
472	N	83	Confident	84.9	Confident	116 Å²	116	40.9 Å²	40.9	62%	0.62	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-94	-2.1	-177.1	-61.8	-31.1	0	0	0	112.4	E469 V470	E469-N472 PolarHBondContact O-N 3.13Å; E469-N472 PolarHBondContact OE2-ND2 2.97Å; V470-N472 VanDerWaalsContact C-N 3.31Å; V470-N472 PolarHBondContact O-N 3.28Å
473	L	81.9	Confident	85.2	Confident	17 Å²	17	41 Å²	41	9%	0.089	22%	0.223	C	C	.	.			trans	-72.2	141.6	178.9	-63.1	-178.7	0	0	0	111.3	V435 L465 Q468 E477 L478 V481	V435-L473 HydrophobicContact CG2-CD1 3.72Å; V435-L473 HydrophobicContact CG2-CD2 4.36Å; V435-L473 HydrophobicContact CG2-CG 4.42Å; L465-L473 HydrophobicContact CD2-CD2 4.15Å; Q468-L473 HydrophobicContact CB-CD2 3.95Å; Q468-L473 VanDerWaalsContact OE1-CD2 3.26Å; L473-E477 HydrophobicContact CB-CB 4.03Å; L473-E477 HydrophobicContact CD2-CB 4.19Å; L473-L478 HydrophobicContact CB-CB 4.31Å; L473-L478 HydrophobicContact CD1-CD1 4.38Å; L473-V481 HydrophobicContact CD1-CG2 3.98Å
474	S	78	Confident	85.7	Confident	60 Å²	60	37.7 Å²	37.7	42%	0.42	21%	0.205	S	C	.	.			trans	-66.1	160.4	167.4	65.2	0	0	0	0	111.5	G476 E477 L478	S474-G476 VanDerWaalsContact C-N 3.27Å; S474-G476 PolarHBondContact O-N 3.1Å; S474-E477 WeakPolarHBondContact CB-OE2 3.3Å; S474-E477 PolarHBondContact N-OE2 3.22Å; S474-E477 PolarHBondContact O-N 2.94Å; S474-E477 VanDerWaalsContact O-N 3.1Å; S474-E477 WeakPolarHBondContact OG-CB 3.24Å; S474-E477 VanDerWaalsContact OG-CG 3.23Å; S474-E477 WeakPolarHBondContact OG-CG 3.41Å; S474-E477 PolarHBondContact OG-N 3.5Å; S474-E477 PolarHBondContact OG-OE2 3.36Å; S474-L478 WeakPolarHBondContact O-CB 3.39Å; S474-L478 PolarHBondContact O-N 3.04Å
475	G	79.1	Confident	86.3	Confident	32 Å²	32	35.7 Å²	35.7	33%	0.33	19%	0.194	S	C	.	.	H	α-helix	trans	-54.6	-40.4	178.7	0	0	0	0	0	113.6	Q479	G475-Q479 VanDerWaalsContact O-CB 3.3Å; G475-Q479 WeakPolarHBondContact O-CB 3.46Å; G475-Q479 PolarHBondContact O-N 3.44Å
476	G	83.2	Confident	86.8	Confident	8 Å²	8	35.8 Å²	35.8	8%	0.082	20%	0.195	C	C	.	.	H	α-helix	trans	-71.1	-36.3	176.7	0	0	0	0	0	113.6	S474 R480	S474-G476 VanDerWaalsContact C-N 3.27Å; S474-G476 PolarHBondContact O-N 3.1Å; G476-R480 WeakPolarHBondContact O-CG 3.49Å; G476-R480 PolarHBondContact O-N 3.23Å; G476-R480 VanDerWaalsContact O-N 3.12Å
477	E	87.4	Confident	87.3	Confident	42 Å²	42	33.5 Å²	33.5	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-45.8	172.5	-75.5	162.9	159.4	0	0	111.7	L465 L473 S474 Q479 R480 V481	L465-E477 HydrophobicContact CD1-CB 3.83Å; L465-E477 HydrophobicContact CD1-CG 3.83Å; L465-E477 HydrophobicContact CD2-CB 4.34Å; L465-E477 HydrophobicContact CD2-CG 3.79Å; L465-E477 WeakPolarHBondContact CD2-OE1 3.44Å; L465-E477 HydrophobicContact CG-CG 4.47Å; L473-E477 HydrophobicContact CB-CB 4.03Å; L473-E477 HydrophobicContact CD2-CB 4.19Å; S474-E477 WeakPolarHBondContact CB-OE2 3.3Å; S474-E477 PolarHBondContact N-OE2 3.22Å; S474-E477 PolarHBondContact O-N 2.94Å; S474-E477 VanDerWaalsContact O-N 3.1Å; S474-E477 WeakPolarHBondContact OG-CB 3.24Å; S474-E477 VanDerWaalsContact OG-CG 3.23Å; S474-E477 WeakPolarHBondContact OG-CG 3.41Å; S474-E477 PolarHBondContact OG-N 3.5Å; S474-E477 PolarHBondContact OG-OE2 3.36Å; E477-Q479 VanDerWaalsContact C-N 3.29Å; E477-Q479 PolarHBondContact O-N 2.91Å; E477-R480 PolarHBondContact O-N 3.36Å; E477-V481 WeakPolarHBondContact O-CG2 3.44Å; E477-V481 PolarHBondContact O-N 2.81Å
478	L	89.2	Confident	87.7	Confident	18 Å²	18	28.9 Å²	28.9	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-39.8	177.3	-175.2	63.3	0	0	0	111.5	I427 P429 V470 L473 S474 V481 A482	I427-L478 HydrophobicContact CB-CD2 4.16Å; I427-L478 HydrophobicContact CB-CG 4.34Å; I427-L478 HydrophobicContact CG2-CD1 4.1Å; I427-L478 HydrophobicContact CG2-CD2 3.72Å; I427-L478 HydrophobicContact CG2-CG 3.65Å; P429-L478 HydrophobicContact CB-CD2 4.43Å; V470-L478 HydrophobicContact CG1-CD1 3.74Å; L473-L478 HydrophobicContact CB-CB 4.31Å; L473-L478 HydrophobicContact CD1-CD1 4.38Å; S474-L478 WeakPolarHBondContact O-CB 3.39Å; S474-L478 PolarHBondContact O-N 3.04Å; L478-V481 PolarHBondContact O-N 3.07Å; L478-A482 WeakPolarHBondContact O-CB 2.95Å; L478-A482 PolarHBondContact O-N 3.42Å
479	Q	90.3	Very high	88.1	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-45	174	-175.1	78.9	0.6	0	0	111.5	K423 I427 G475 E477 V481 A482 L483 E498 P499 A501 L503	K423-Q479 VanDerWaalsContact CE-NE2 3.32Å; I427-Q479 HydrophobicContact CD1-CB 4.38Å; G475-Q479 VanDerWaalsContact O-CB 3.3Å; G475-Q479 WeakPolarHBondContact O-CB 3.46Å; G475-Q479 PolarHBondContact O-N 3.44Å; E477-Q479 VanDerWaalsContact C-N 3.29Å; E477-Q479 PolarHBondContact O-N 2.91Å; Q479-V481 VanDerWaalsContact C-N 3.34Å; Q479-V481 PolarHBondContact O-N 3.21Å; Q479-A482 PolarHBondContact O-N 3.13Å; Q479-L483 WeakPolarHBondContact O-CG 3.14Å; Q479-L483 PolarHBondContact O-N 2.73Å; Q479-E498 PolarHBondContact NE2-O 3.26Å; Q479-P499 PolarHBondContact NE2-O 3.25Å; Q479-A501 WeakPolarHBondContact CG-O 3.22Å; Q479-L503 HydrophobicContact CB-CD2 4.22Å; Q479-L503 HydrophobicContact CG-CD1 4.33Å; Q479-L503 HydrophobicContact CG-CD2 4.15Å; Q479-L503 HydrophobicContact CG-CG 4.1Å
480	R	91.3	Very high	88.3	Confident	22 Å²	22	32.8 Å²	32.8	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-41.1	176.7	-70.3	-177.5	-67.5	157.9	-12	112.2	L460 D461 L462 G476 E477 L483 A484 L503	L460-R480 HydrophobicContact CD2-CG 4.47Å; L460-R480 WeakPolarHBondContact O-CD 3.27Å; L460-R480 PolarHBondContact O-NH1 3.3Å; D461-R480 IonicContact OD2-NH1 3.07Å; L462-R480 HydrophobicContact CD2-CB 4Å; G476-R480 WeakPolarHBondContact O-CG 3.49Å; G476-R480 PolarHBondContact O-N 3.23Å; G476-R480 VanDerWaalsContact O-N 3.12Å; E477-R480 PolarHBondContact O-N 3.36Å; R480-L483 PolarHBondContact O-N 2.87Å; R480-A484 PolarHBondContact O-N 2.89Å; R480-A484 VanDerWaalsContact O-N 3.1Å; R480-L503 HydrophobicContact CG-CD2 4.1Å
481	V	91.9	Very high	88.5	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.6	175.1	0	0	0	0	110.9	V435 L438 L462 L465 L473 E477 L478 Q479 L483 A484 L485	V435-V481 HydrophobicContact CG1-CG1 4.21Å; V435-V481 HydrophobicContact CG1-CG2 3.86Å; V435-V481 HydrophobicContact CG2-CG2 4.36Å; L438-V481 HydrophobicContact CD2-CG1 4.29Å; L462-V481 HydrophobicContact CD2-CG2 3.87Å; L465-V481 HydrophobicContact CD1-CG2 4.44Å; L473-V481 HydrophobicContact CD1-CG2 3.98Å; E477-V481 WeakPolarHBondContact O-CG2 3.44Å; E477-V481 PolarHBondContact O-N 2.81Å; L478-V481 PolarHBondContact O-N 3.07Å; Q479-V481 VanDerWaalsContact C-N 3.34Å; Q479-V481 PolarHBondContact O-N 3.21Å; V481-L483 VanDerWaalsContact C-N 3.34Å; V481-L483 PolarHBondContact O-N 2.7Å; V481-A484 PolarHBondContact O-N 3.48Å; V481-L485 HydrophobicContact CG1-CD1 4.07Å; V481-L485 HydrophobicContact CG1-CG 4.43Å; V481-L485 WeakPolarHBondContact O-CG 3.37Å; V481-L485 PolarHBondContact O-N 2.84Å
482	A	92	Very high	88.8	Confident	15 Å²	15	31 Å²	31	12%	0.124	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-36.9	178	0	0	0	0	0	113	I427 L478 Q479 L485 C486	I427-A482 HydrophobicContact CD1-CB 3.44Å; I427-A482 VanDerWaalsContact CD1-CB 3.44Å; I427-A482 HydrophobicContact CG1-CB 4.24Å; I427-A482 HydrophobicContact CG2-CB 4.49Å; L478-A482 WeakPolarHBondContact O-CB 2.95Å; L478-A482 PolarHBondContact O-N 3.42Å; Q479-A482 PolarHBondContact O-N 3.13Å; A482-L485 PolarHBondContact O-N 3.25Å; A482-C486 WeakPolarHBondContact O-CB 3.4Å; A482-C486 PolarHBondContact O-N 2.74Å
483	L	93.3	Very high	89.2	Confident	3 Å²	3	26 Å²	26	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-45.3	173.7	-69.3	173.5	0	0	0	111.5	L460 Q479 R480 V481 L485 C486 L487 I496 P499 A511 I515	L460-L483 HydrophobicContact CD1-CB 4.33Å; Q479-L483 WeakPolarHBondContact O-CG 3.14Å; Q479-L483 PolarHBondContact O-N 2.73Å; R480-L483 PolarHBondContact O-N 2.87Å; V481-L483 VanDerWaalsContact C-N 3.34Å; V481-L483 PolarHBondContact O-N 2.7Å; L483-L485 VanDerWaalsContact C-N 3.35Å; L483-L485 PolarHBondContact O-N 3.2Å; L483-C486 WeakPolarHBondContact O-CB 3.35Å; L483-C486 PolarHBondContact O-N 2.87Å; L483-L487 WeakPolarHBondContact O-CG 3.37Å; L483-L487 PolarHBondContact O-N 3.01Å; L483-I496 HydrophobicContact CD2-CG2 4.01Å; L483-P499 HydrophobicContact CD1-CB 4.5Å; L483-P499 HydrophobicContact CD2-CB 3.83Å; L483-A511 HydrophobicContact CD1-CB 4.02Å; L483-I515 HydrophobicContact CD2-CD1 4.47Å
484	A	93.2	Very high	89.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-37.7	176.3	0	0	0	0	0	112.8	V456 L457 L460 L462 R480 V481 C486 G488	V456-A484 HydrophobicContact CG1-CB 4.05Å; L457-A484 HydrophobicContact CD2-CB 4.35Å; L460-A484 HydrophobicContact CD1-CB 4.34Å; L462-A484 HydrophobicContact CD1-CB 3.34Å; R480-A484 PolarHBondContact O-N 2.89Å; R480-A484 VanDerWaalsContact O-N 3.1Å; V481-A484 PolarHBondContact O-N 3.48Å; A484-C486 VanDerWaalsContact C-N 3.32Å; A484-C486 PolarHBondContact O-N 3.21Å; A484-G488 PolarHBondContact O-N 3.41Å
485	L	92.9	Very high	90.6	Very high	30 Å²	30	22.7 Å²	22.7	16%	0.157	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-34.7	173.7	-74	171.6	0	0	0	112.8	L438 L439 K442 V481 A482 L483 K489	L438-L485 HydrophobicContact CD2-CD1 3.83Å; L438-L485 HydrophobicContact CG-CD1 4.23Å; L439-L485 HydrophobicContact CD2-CD2 3.79Å; L439-L485 HydrophobicContact CD2-CG 4.08Å; K442-L485 HydrophobicContact CB-CD2 3.65Å; K442-L485 HydrophobicContact CG-CD2 4.14Å; V481-L485 HydrophobicContact CG1-CD1 4.07Å; V481-L485 HydrophobicContact CG1-CG 4.43Å; V481-L485 WeakPolarHBondContact O-CG 3.37Å; V481-L485 PolarHBondContact O-N 2.84Å; A482-L485 PolarHBondContact O-N 3.25Å; L483-L485 VanDerWaalsContact C-N 3.35Å; L483-L485 PolarHBondContact O-N 3.2Å; L485-K489 WeakPolarHBondContact O-CG 3.41Å
486	C	93.4	Very high	91.4	Very high	4 Å²	4	21.2 Å²	21.2	3%	0.027	12%	0.119	C	C	.	.	H	α-helix	trans	-69.4	-50.2	176.6	-172.5	0	0	0	0	111	S421 K423 A482 L483 A484 G488 Y494	S421-C486 PolarHBondContact OG-O 3.16Å; S421-C486 PolarHBondContact OG-SG 2.9Å; K423-C486 HydrophobicContact CB-CB 3.97Å; A482-C486 WeakPolarHBondContact O-CB 3.4Å; A482-C486 PolarHBondContact O-N 2.74Å; L483-C486 WeakPolarHBondContact O-CB 3.35Å; L483-C486 PolarHBondContact O-N 2.87Å; A484-C486 VanDerWaalsContact C-N 3.32Å; A484-C486 PolarHBondContact O-N 3.21Å; C486-G488 VanDerWaalsContact C-N 3.34Å; C486-G488 PolarHBondContact O-N 3.38Å; C486-Y494 WeakPolarHBondContact O-CE1 3.46Å
487	L	93.4	Very high	91.7	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-72	-26.7	-178.1	-62	175.8	0	0	0	113	F452 V456 L483 Y494 I496 V514 I515 F518	F452-L487 HydrophobicContact CE2-CB 4.27Å; V456-L487 HydrophobicContact CG1-CD1 4.2Å; V456-L487 HydrophobicContact CG2-CD1 4.26Å; L483-L487 WeakPolarHBondContact O-CG 3.37Å; L483-L487 PolarHBondContact O-N 3.01Å; L487-Y494 HydrophobicContact CD2-CD1 4.16Å; L487-Y494 HydrophobicContact CD2-CE1 4.48Å; L487-I496 HydrophobicContact CD2-CD1 4.47Å; L487-V514 HydrophobicContact CD1-CG1 3.94Å; L487-I515 HydrophobicContact CD1-CG1 4.43Å; L487-F518 HydrophobicContact CB-CD1 4.2Å; L487-F518 HydrophobicContact CB-CE1 4.12Å; L487-F518 HydrophobicContact CB-CZ 4.43Å; L487-F518 HydrophobicContact CD2-CD1 3.72Å; L487-F518 HydrophobicContact CD2-CE1 4.13Å; L487-F518 HydrophobicContact CD2-CG 4.44Å; L487-F518 HydrophobicContact CG-CD1 4.39Å; L487-F518 WeakPolarHBondContact O-CE1 3.34Å; L487-F518 WeakPolarHBondContact O-CZ 3.42Å
488	G	91.4	Very high	91.7	Very high	7 Å²	7	20.2 Å²	20.2	7%	0.072	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14	179.9	0	0	0	0	0	114.6	I443 A446 F452 A484 C486	I443-G488 WeakPolarHBondContact CG2-O 3.25Å; A446-G488 WeakPolarHBondContact CB-O 3.15Å; F452-G488 VanDerWaalsContact CZ-CA 3.44Å; A484-G488 PolarHBondContact O-N 3.41Å; C486-G488 VanDerWaalsContact C-N 3.34Å; C486-G488 PolarHBondContact O-N 3.38Å
489	K	90.9	Very high	91.8	Very high	90 Å²	90	19.3 Å²	19.3	39%	0.391	11%	0.108	S	C	.	.	S	Bend	trans	-80.2	128.7	174.2	-77.3	177.5	-178.1	-177	0	109.5	I443 L485 A491 Y494	I443-K489 HydrophobicContact CG2-CG 4.06Å; L485-K489 WeakPolarHBondContact O-CG 3.41Å; K489-A491 PolarHBondContact O-N 2.98Å; K489-A491 VanDerWaalsContact O-N 3.1Å; K489-Y494 PolarHBondContact O-OH 3.37Å
490	P	89.1	Confident	91.6	Very high	125 Å²	125	19.6 Å²	19.6	81%	0.812	11%	0.109	S	C	*	.			trans	-63.9	115.7	176.4	27.1	-33	0	0	0	109.4
491	A	90.7	Very high	91.2	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.033	11%	0.113	C	C	.	.			trans	-146.6	153.9	177.2	0	0	0	0	0	111	S419 S421 K489 Y494 K524	S419-A491 VanDerWaalsContact OG-CA 3.31Å; S419-A491 WeakPolarHBondContact OG-CA 3.42Å; S421-A491 VanDerWaalsContact N-CB 3.32Å; K489-A491 PolarHBondContact O-N 2.98Å; K489-A491 VanDerWaalsContact O-N 3.1Å; A491-Y494 HydrophobicContact CB-CE1 4.23Å; A491-Y494 HydrophobicContact CB-CE2 4.26Å; A491-Y494 VanDerWaalsContact O-CE2 3.26Å; A491-Y494 WeakPolarHBondContact O-CE2 2.94Å; A491-Y494 PolarHBondContact O-OH 3.04Å; A491-K524 WeakPolarHBondContact O-CE 3.44Å
492	D	89.3	Confident	90.6	Very high	52 Å²	52	24.5 Å²	24.5	28%	0.278	13%	0.133	S	C	.	.	S	Bend	trans	-84.2	-39.4	171.8	-58.9	-51.1	0	0	0	110.9	L418 S419 K524 T525	L418-D492 HydrophobicContact CB-CB 4.25Å; L418-D492 HydrophobicContact CD2-CB 4.18Å; S419-D492 PolarHBondContact N-OD2 3.05Å; S419-D492 VanDerWaalsContact N-OD2 3.16Å; S419-D492 PolarHBondContact O-N 3.45Å; S419-D492 PolarHBondContact OG-N 2.7Å; S419-D492 PolarHBondContact OG-OD2 3.46Å; D492-K524 IonicContact OD1-NZ 2.72Å; D492-K524 PolarHBondContact OD1-NZ 3.49Å; D492-T525 PolarHBondContact O-N 2.86Å; D492-T525 VanDerWaalsContact O-N 3.17Å
493	V	92	Very high	90.2	Very high	10 Å²	10	23.9 Å²	23.9	6%	0.061	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.9	178.9	-175.9	0	0	0	0	110.6	F379 L418 S419 I420 S421 L495 T525 F527	F379-V493 HydrophobicContact CE2-CG2 4.27Å; L418-V493 HydrophobicContact CB-CG2 4.21Å; L418-V493 HydrophobicContact CD1-CG2 3.66Å; S419-V493 PolarHBondContact O-N 3.07Å; I420-V493 WeakPolarHBondContact CA-O 3.23Å; S421-V493 PolarHBondContact N-O 2.72Å; V493-L495 HydrophobicContact CG1-CD2 3.83Å; V493-L495 HydrophobicContact CG1-CG 4.4Å; V493-T525 WeakPolarHBondContact CA-O 3.32Å; V493-F527 HydrophobicContact CG1-CD2 3.7Å; V493-F527 HydrophobicContact CG1-CE2 3.9Å
494	Y	95.1	Very high	89.8	Confident	8 Å²	8	24 Å²	24	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.6	175.5	-65.4	-96.9	0	0	0	110.2	C486 L487 K489 A491 F518 I519 K524 T525 A526 F527	C486-Y494 WeakPolarHBondContact O-CE1 3.46Å; L487-Y494 HydrophobicContact CD2-CD1 4.16Å; L487-Y494 HydrophobicContact CD2-CE1 4.48Å; K489-Y494 PolarHBondContact O-OH 3.37Å; A491-Y494 HydrophobicContact CB-CE1 4.23Å; A491-Y494 HydrophobicContact CB-CE2 4.26Å; A491-Y494 VanDerWaalsContact O-CE2 3.26Å; A491-Y494 WeakPolarHBondContact O-CE2 2.94Å; A491-Y494 PolarHBondContact O-OH 3.04Å; Y494-F518 HydrophobicContact CE1-CE1 4.16Å; Y494-F518 HydrophobicContact CE2-CE1 4.33Å; Y494-F518 AromaticContact CZ-CE1 3.81Å; Y494-I519 HydrophobicContact CD2-CD1 3.51Å; Y494-I519 HydrophobicContact CE2-CD1 4.08Å; Y494-I519 HydrophobicContact CG-CD1 3.92Å; Y494-K524 HydrophobicContact CD2-CB 4.12Å; Y494-K524 HydrophobicContact CE2-CB 3.77Å; Y494-K524 HydrophobicContact CE2-CG 3.95Å; Y494-T525 PolarHBondContact N-O 2.82Å; Y494-A526 CarbonylContact O-C 3.56Å; Y494-A526 VanDerWaalsContact O-CA 3.22Å; Y494-A526 WeakPolarHBondContact O-CA 3.15Å; Y494-F527 PolarHBondContact O-N 2.9Å
495	L	94.7	Very high	89.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.6	178.2	-57.3	179.9	0	0	0	108.8	I399 L402 A403 I420 S421 Y422 K423 V493 F527	I399-L495 HydrophobicContact CG2-CB 3.95Å; I399-L495 HydrophobicContact CG2-CD1 4.12Å; L402-L495 HydrophobicContact CB-CD1 4.15Å; L402-L495 HydrophobicContact CB-CD2 4.42Å; L402-L495 HydrophobicContact CD1-CD2 4.41Å; A403-L495 HydrophobicContact CB-CD1 3.69Å; I420-L495 HydrophobicContact CG2-CD1 3.4Å; I420-L495 VanDerWaalsContact CG2-CD1 3.4Å; I420-L495 HydrophobicContact CG2-CG 3.77Å; S421-L495 PolarHBondContact O-N 3.45Å; Y422-L495 WeakPolarHBondContact CA-O 3.5Å; Y422-L495 HydrophobicContact CD2-CB 3.92Å; K423-L495 PolarHBondContact N-O 2.88Å; V493-L495 HydrophobicContact CG1-CD2 3.83Å; V493-L495 HydrophobicContact CG1-CG 4.4Å; L495-F527 HydrophobicContact CD2-CB 3.71Å; L495-F527 HydrophobicContact CD2-CD2 3.76Å; L495-F527 HydrophobicContact CD2-CG 4.02Å
496	I	94.2	Very high	88.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	105.7	-173.6	-49.2	179.6	0	0	0	109.7	K423 L483 L487 P499 I515 F527 V528 V529	K423-I496 HydrophobicContact CB-CG2 4.24Å; K423-I496 HydrophobicContact CD-CG2 4.18Å; K423-I496 HydrophobicContact CG-CG2 4.46Å; L483-I496 HydrophobicContact CD2-CG2 4.01Å; L487-I496 HydrophobicContact CD2-CD1 4.47Å; I496-P499 HydrophobicContact CG2-CB 3.76Å; I496-P499 HydrophobicContact CG2-CG 3.63Å; I496-I515 HydrophobicContact CD1-CD1 4.12Å; I496-I515 HydrophobicContact CD1-CG1 4.2Å; I496-I515 HydrophobicContact CD1-CG2 4.06Å; I496-F527 PolarHBondContact N-O 3.22Å; I496-V528 HydrophobicContact CB-CG1 4.37Å; I496-V528 HydrophobicContact CB-CG2 4.36Å; I496-V528 HydrophobicContact CD1-CG2 4.44Å; I496-V528 WeakPolarHBondContact O-CA 3.44Å; I496-V529 PolarHBondContact O-N 2.82Å
497	D	91.1	Very high	88.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.3	-179.7	-157.4	-5	0	0	0	111	T396 I399 Y422 K423 Q425 V529	T396-D497 WeakPolarHBondContact CB-OD2 3.18Å; T396-D497 VanDerWaalsContact CG2-OD2 3.23Å; T396-D497 WeakPolarHBondContact CG2-OD2 3.07Å; T396-D497 PolarHBondContact OG1-OD2 3.42Å; I399-D497 HydrophobicContact CD1-CB 4.1Å; Y422-D497 HydrophobicContact CE2-CB 4.38Å; K423-D497 VanDerWaalsContact CD-O 3.26Å; K423-D497 WeakPolarHBondContact CD-O 3.46Å; K423-D497 PolarHBondContact NZ-O 2.78Å; K423-D497 WeakPolarHBondContact O-CB 3.3Å; K423-D497 PolarHBondContact O-N 2.77Å; Q425-D497 HydrophobicContact CB-CB 4.34Å; D497-V529 WeakPolarHBondContact OD1-CB 3.31Å
498	E	86.8	Confident	88.2	Confident	29 Å²	29	28.1 Å²	28.1	14%	0.136	15%	0.147	C	C	.	.			trans	48.9	71.4	-179.1	-65	-178.1	177.5	0	0	114.4	K423 Q425 Q479 S500 V529 H531	K423-E498 PolarHBondContact NZ-O 3.5Å; K423-E498 VanDerWaalsContact NZ-O 3.12Å; Q425-E498 HydrophobicContact CG-CB 4.41Å; Q425-E498 HydrophobicContact CG-CG 4.43Å; Q425-E498 WeakPolarHBondContact CG-OE2 3.34Å; Q425-E498 PolarHBondContact NE2-OE1 3.13Å; Q425-E498 VanDerWaalsContact NE2-OE1 3.13Å; Q425-E498 PolarHBondContact NE2-OE2 3.27Å; Q479-E498 PolarHBondContact NE2-O 3.26Å; E498-S500 VanDerWaalsContact C-N 3.28Å; E498-S500 PolarHBondContact O-N 3.36Å; E498-V529 WeakPolarHBondContact CA-O 3.38Å; E498-V529 HydrophobicContact CG-CG1 4.11Å; E498-V529 PolarHBondContact N-O 3.37Å; E498-V529 VanDerWaalsContact N-O 3.11Å; E498-H531 IonicContact OE1-CD2 2.82Å; E498-H531 PolarHBondContact OE1-CD2 3.41Å; E498-H531 VanDerWaalsContact OE1-CD2 3.28Å; E498-H531 IonicContact OE1-NE2 3.53Å; E498-H531 PolarHBondContact OE1-NE2 2.92Å
499	P	90.8	Very high	87.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.3	173.7	18.1	-20.4	0	0	0	113.7	Q479 L483 I496 A501 L503 I515 V528 V529 E530 M535	Q479-P499 PolarHBondContact NE2-O 3.25Å; L483-P499 HydrophobicContact CD1-CB 4.5Å; L483-P499 HydrophobicContact CD2-CB 3.83Å; I496-P499 HydrophobicContact CG2-CB 3.76Å; I496-P499 HydrophobicContact CG2-CG 3.63Å; P499-A501 VanDerWaalsContact C-N 3.33Å; P499-A501 PolarHBondContact O-N 3.05Å; P499-L503 VanDerWaalsContact O-CD1 3.26Å; P499-L503 WeakPolarHBondContact O-CD1 3.49Å; P499-I515 HydrophobicContact CB-CD1 4.18Å; P499-I515 HydrophobicContact CG-CD1 4.33Å; P499-V528 HydrophobicContact CG-CG1 3.65Å; P499-V529 WeakPolarHBondContact CD-O 3.27Å; P499-E530 WeakPolarHBondContact CD-OE1 3.26Å; P499-E530 HydrophobicContact CG-CG 4.29Å; P499-E530 WeakPolarHBondContact CG-OE1 3.31Å; P499-M535 HydrophobicContact CB-CE 3.82Å; P499-M535 HydrophobicContact CG-CE 3.72Å
500	S	86.8	Confident	87.7	Confident	7 Å²	7	27.4 Å²	27.4	5%	0.049	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.8	-179.2	56.7	0	0	0	0	116.4	E498 Y502 L503 R508 E530	E498-S500 VanDerWaalsContact C-N 3.28Å; E498-S500 PolarHBondContact O-N 3.36Å; S500-Y502 PolarHBondContact O-N 3.32Å; S500-L503 PolarHBondContact O-N 3.41Å; S500-R508 PolarHBondContact O-NE 3.23Å; S500-E530 VanDerWaalsContact CB-OE1 3.3Å; S500-E530 WeakPolarHBondContact CB-OE1 3.45Å; S500-E530 WeakPolarHBondContact CB-OE2 3.46Å; S500-E530 PolarHBondContact N-OE1 3.17Å; S500-E530 PolarHBondContact OG-OE1 3.29Å; S500-E530 PolarHBondContact OG-OE2 2.87Å
501	A	81.5	Confident	87.8	Confident	20 Å²	20	21.5 Å²	21.5	17%	0.165	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	134.7	-177.6	0	0	0	0	0	112.4	Q479 P499 L503	Q479-A501 WeakPolarHBondContact CG-O 3.22Å; P499-A501 VanDerWaalsContact C-N 3.33Å; P499-A501 PolarHBondContact O-N 3.05Å; A501-L503 PolarHBondContact O-N 3.04Å
502	Y	79.3	Confident	87.8	Confident	108 Å²	108	21.3 Å²	21.3	42%	0.424	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-2.7	-179.3	-49.6	-78.3	0	0	0	117.1	Y256 S500	Y256-Y502 HydrophobicContact CE1-CE1 4.29Å; Y256-Y502 AromaticContact CE1-CZ 3.95Å; Y256-Y502 WeakPolarHBondContact CE1-OH 3.4Å; Y256-Y502 AromaticContact CZ-CE1 3.93Å; Y256-Y502 AromaticContact CZ-CZ 4Å; Y256-Y502 WeakPolarHBondContact OH-CE1 3.28Å; Y256-Y502 VanDerWaalsContact OH-CZ 3.27Å; Y256-Y502 PolarHBondContact OH-OH 3.34Å; S500-Y502 PolarHBondContact O-N 3.32Å
503	L	85.4	Confident	87.7	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.115	C	C	.	.			trans	-85.8	139.8	177.6	-60.5	-176.2	0	0	0	110.5	Q479 R480 P499 S500 A501 Q507 R508 A511	Q479-L503 HydrophobicContact CB-CD2 4.22Å; Q479-L503 HydrophobicContact CG-CD1 4.33Å; Q479-L503 HydrophobicContact CG-CD2 4.15Å; Q479-L503 HydrophobicContact CG-CG 4.1Å; R480-L503 HydrophobicContact CG-CD2 4.1Å; P499-L503 VanDerWaalsContact O-CD1 3.26Å; P499-L503 WeakPolarHBondContact O-CD1 3.49Å; S500-L503 PolarHBondContact O-N 3.41Å; A501-L503 PolarHBondContact O-N 3.04Å; L503-Q507 HydrophobicContact CB-CB 4.02Å; L503-Q507 HydrophobicContact CD2-CB 4.15Å; L503-Q507 HydrophobicContact CG-CB 4.49Å; L503-R508 HydrophobicContact CB-CG 3.62Å; L503-R508 PolarHBondContact O-NE 3.01Å; L503-R508 PolarHBondContact O-NH2 3.03Å; L503-A511 HydrophobicContact CD1-CB 3.99Å
504	D	83.8	Confident	87.7	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.021	11%	0.114	C	C	.	.			trans	-73.2	170.6	168.7	66.7	58.8	0	0	0	112	N122 H284 E506 Q507 R508	N122-D504 PolarHBondContact N-OD2 3.26Å; H284-D504 VanDerWaalsContact CE1-CB 3.42Å; H284-D504 WeakPolarHBondContact CE1-CB 3.49Å; H284-D504 WeakPolarHBondContact ND1-CB 3.49Å; D504-E506 PolarHBondContact O-N 2.9Å; D504-E506 WeakPolarHBondContact OD1-CA 3.49Å; D504-E506 WeakPolarHBondContact OD1-CB 3.44Å; D504-E506 PolarHBondContact OD1-N 3.34Å; D504-Q507 PolarHBondContact O-N 3.44Å; D504-Q507 PolarHBondContact OD1-N 3.05Å; D504-Q507 VanDerWaalsContact OD2-CD 3.28Å; D504-Q507 WeakPolarHBondContact OD2-CG 3.17Å; D504-R508 WeakPolarHBondContact O-CB 3.24Å; D504-R508 VanDerWaalsContact O-CG 3.26Å; D504-R508 WeakPolarHBondContact O-CG 3.39Å; D504-R508 PolarHBondContact O-N 3.5Å
505	S	81.5	Confident	87.6	Confident	14 Å²	14	24.1 Å²	24.1	10%	0.098	11%	0.113	C	C	.	.	H	α-helix	trans	-58.6	-32.3	-176.4	46.8	0	0	0	0	113.9	H284 F322 L509	H284-S505 WeakPolarHBondContact O-CB 3.35Å; F322-S505 VanDerWaalsContact CE1-OG 3.27Å; F322-S505 WeakPolarHBondContact CE1-OG 3.47Å; F322-S505 WeakPolarHBondContact CZ-OG 3.34Å; S505-L509 PolarHBondContact O-N 2.83Å
506	E	82.8	Confident	87.4	Confident	41 Å²	41	25.6 Å²	25.6	19%	0.192	12%	0.119	C	C	.	.	H	α-helix	trans	-77.8	-46.5	177.6	178.8	166.6	-168.2	0	0	110.8	T121 R335 D504 R508 L509 H510	T121-E506 HydrophobicContact CG2-CB 4.22Å; T121-E506 WeakPolarHBondContact CG2-OE2 2.95Å; R335-E506 IonicContact CZ-OE1 3.22Å; R335-E506 IonicContact CZ-OE2 2.85Å; R335-E506 IonicContact NE-OE1 3.56Å; R335-E506 PolarHBondContact NE-OE1 3.16Å; R335-E506 IonicContact NE-OE2 3.48Å; R335-E506 PolarHBondContact NE-OE2 3.46Å; R335-E506 IonicContact NH2-OE1 2.89Å; R335-E506 IonicContact NH2-OE2 3.27Å; R335-E506 PolarHBondContact NH2-OE2 3.22Å; D504-E506 PolarHBondContact O-N 2.9Å; D504-E506 WeakPolarHBondContact OD1-CA 3.49Å; D504-E506 WeakPolarHBondContact OD1-CB 3.44Å; D504-E506 PolarHBondContact OD1-N 3.34Å; E506-R508 VanDerWaalsContact C-N 3.32Å; E506-R508 PolarHBondContact O-N 3.09Å; E506-L509 PolarHBondContact O-N 3.28Å; E506-H510 WeakPolarHBondContact CG-CE1 2.93Å; E506-H510 WeakPolarHBondContact CG-ND1 3.18Å; E506-H510 PolarHBondContact O-N 3.39Å; E506-H510 PolarHBondContact O-ND1 3.32Å; E506-H510 IonicContact OE1-CE1 2.78Å
507	Q	87.3	Confident	87.1	Confident	48 Å²	48	30.9 Å²	30.9	22%	0.224	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-37.9	177.2	-69.8	179.4	-8.5	0	0	112.4	L503 D504 H510 A511	L503-Q507 HydrophobicContact CB-CB 4.02Å; L503-Q507 HydrophobicContact CD2-CB 4.15Å; L503-Q507 HydrophobicContact CG-CB 4.49Å; D504-Q507 PolarHBondContact O-N 3.44Å; D504-Q507 PolarHBondContact OD1-N 3.05Å; D504-Q507 VanDerWaalsContact OD2-CD 3.28Å; D504-Q507 WeakPolarHBondContact OD2-CG 3.17Å; Q507-H510 PolarHBondContact O-N 3.01Å; Q507-A511 VanDerWaalsContact O-CB 3.32Å; Q507-A511 WeakPolarHBondContact O-CB 3.43Å; Q507-A511 PolarHBondContact O-N 2.82Å
508	R	88.4	Confident	87.1	Confident	22 Å²	22	32.2 Å²	32.2	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-46.2	174.7	-74.9	-179.8	-164.7	-178.7	4.5	111.9	S500 L503 D504 E506 A511 A512 D532 M535	S500-R508 PolarHBondContact O-NE 3.23Å; L503-R508 HydrophobicContact CB-CG 3.62Å; L503-R508 PolarHBondContact O-NE 3.01Å; L503-R508 PolarHBondContact O-NH2 3.03Å; D504-R508 WeakPolarHBondContact O-CB 3.24Å; D504-R508 VanDerWaalsContact O-CG 3.26Å; D504-R508 WeakPolarHBondContact O-CG 3.39Å; D504-R508 PolarHBondContact O-N 3.5Å; E506-R508 VanDerWaalsContact C-N 3.32Å; E506-R508 PolarHBondContact O-N 3.09Å; R508-A511 PolarHBondContact O-N 3.25Å; R508-A512 WeakPolarHBondContact O-CB 3.34Å; R508-A512 PolarHBondContact O-N 3.01Å; R508-D532 VanDerWaalsContact CD-OD2 3.3Å; R508-D532 WeakPolarHBondContact CD-OD2 3.34Å; R508-D532 IonicContact CZ-OD2 2.69Å; R508-D532 IonicContact NH1-OD2 3.2Å; R508-D532 PolarHBondContact NH1-OD2 2.82Å; R508-M535 HydrophobicContact CB-SD 4.31Å
509	L	84.5	Confident	87.3	Confident	21 Å²	21	30.8 Å²	30.8	11%	0.11	14%	0.139	C	C	.	.	H	α-helix	trans	-70	-37.7	-178.8	-171.5	59	0	0	0	111.9	L339 F341 S505 E506 A512 K513 Y538	L339-L509 HydrophobicContact CB-CD2 3.65Å; L339-L509 HydrophobicContact CD1-CD2 3.92Å; L339-L509 HydrophobicContact CD2-CD2 3.76Å; L339-L509 HydrophobicContact CG-CD2 3.94Å; F341-L509 HydrophobicContact CE1-CD1 4.12Å; F341-L509 HydrophobicContact CE1-CD2 4.16Å; F341-L509 HydrophobicContact CZ-CD2 4.5Å; S505-L509 PolarHBondContact O-N 2.83Å; E506-L509 PolarHBondContact O-N 3.28Å; L509-A512 PolarHBondContact O-N 2.87Å; L509-K513 WeakPolarHBondContact O-CB 3.41Å; L509-K513 PolarHBondContact O-N 2.54Å; L509-Y538 HydrophobicContact CD1-CD2 4.24Å; L509-Y538 HydrophobicContact CD1-CE2 4.45Å; L509-Y538 HydrophobicContact CD1-CG 4.34Å
510	H	86.9	Confident	87.1	Confident	60 Å²	60	34 Å²	34	28%	0.278	16%	0.156	S	C	.	.	H	α-helix	trans	-62.4	-46.5	171.6	-72.4	101.2	0	0	0	111.6	E506 Q507 A512 K513 V514	E506-H510 WeakPolarHBondContact CG-CE1 2.93Å; E506-H510 WeakPolarHBondContact CG-ND1 3.18Å; E506-H510 PolarHBondContact O-N 3.39Å; E506-H510 PolarHBondContact O-ND1 3.32Å; E506-H510 IonicContact OE1-CE1 2.78Å; Q507-H510 PolarHBondContact O-N 3.01Å; H510-A512 VanDerWaalsContact C-N 3.32Å; H510-A512 PolarHBondContact O-N 2.99Å; H510-K513 PolarHBondContact O-N 3.49Å; H510-V514 VanDerWaalsContact O-CG2 3.29Å; H510-V514 WeakPolarHBondContact O-CG2 3.3Å; H510-V514 PolarHBondContact O-N 2.81Å
511	A	91.1	Very high	87.1	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-42.9	176	0	0	0	0	0	111.7	L460 L483 L503 Q507 R508 K513 V514 I515 M535	L460-A511 HydrophobicContact CD2-CB 4.43Å; L483-A511 HydrophobicContact CD1-CB 4.02Å; L503-A511 HydrophobicContact CD1-CB 3.99Å; Q507-A511 VanDerWaalsContact O-CB 3.32Å; Q507-A511 WeakPolarHBondContact O-CB 3.43Å; Q507-A511 PolarHBondContact O-N 2.82Å; R508-A511 PolarHBondContact O-N 3.25Å; A511-K513 PolarHBondContact O-N 3.06Å; A511-V514 PolarHBondContact O-N 2.97Å; A511-I515 VanDerWaalsContact O-CG1 3.28Å; A511-I515 WeakPolarHBondContact O-CG1 3.48Å; A511-I515 PolarHBondContact O-N 3.47Å; A511-M535 HydrophobicContact CB-CE 4.44Å
512	A	90.3	Very high	87.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-43.1	175.9	0	0	0	0	0	112	R508 L509 H510 K516 M535 Y538 L539	R508-A512 WeakPolarHBondContact O-CB 3.34Å; R508-A512 PolarHBondContact O-N 3.01Å; L509-A512 PolarHBondContact O-N 2.87Å; H510-A512 VanDerWaalsContact C-N 3.32Å; H510-A512 PolarHBondContact O-N 2.99Å; A512-K516 WeakPolarHBondContact O-CB 3.45Å; A512-K516 PolarHBondContact O-N 2.84Å; A512-M535 HydrophobicContact CB-CE 4.06Å; A512-M535 HydrophobicContact CB-CG 3.97Å; A512-M535 HydrophobicContact CB-SD 4.45Å; A512-Y538 HydrophobicContact CB-CD1 3.73Å; A512-Y538 HydrophobicContact CB-CE1 4.28Å; A512-L539 HydrophobicContact CB-CD2 4.16Å; A512-L539 HydrophobicContact CB-CG 4.14Å; A512-L539 VanDerWaalsContact O-CD2 3.25Å; A512-L539 WeakPolarHBondContact O-CD2 3.27Å
513	K	88.4	Confident	87.6	Confident	122 Å²	122	41.6 Å²	41.6	53%	0.53	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-41.7	175.8	-172.7	174.9	-179.4	179.6	0	112.4	L509 H510 A511 R517 Y538	L509-K513 WeakPolarHBondContact O-CB 3.41Å; L509-K513 PolarHBondContact O-N 2.54Å; H510-K513 PolarHBondContact O-N 3.49Å; A511-K513 PolarHBondContact O-N 3.06Å; K513-R517 WeakPolarHBondContact O-CB 3.47Å; K513-R517 PolarHBondContact O-N 2.77Å; K513-Y538 HydrophobicContact CB-CE1 4.28Å
514	V	91.5	Very high	87.8	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-50	176.9	170.4	0	0	0	0	110.9	V456 P459 L460 L487 H510 A511 K516 R517 F518	V456-V514 HydrophobicContact CB-CG1 4.22Å; V456-V514 HydrophobicContact CG1-CG1 4.12Å; V456-V514 HydrophobicContact CG2-CG1 3.97Å; P459-V514 HydrophobicContact CB-CG2 3.59Å; P459-V514 HydrophobicContact CG-CG2 4.32Å; L460-V514 HydrophobicContact CD1-CG1 4.44Å; L460-V514 HydrophobicContact CD2-CG2 4.36Å; L460-V514 HydrophobicContact CG-CG1 4.47Å; L460-V514 HydrophobicContact CG-CG2 4.36Å; L487-V514 HydrophobicContact CD1-CG1 3.94Å; H510-V514 VanDerWaalsContact O-CG2 3.29Å; H510-V514 WeakPolarHBondContact O-CG2 3.3Å; H510-V514 PolarHBondContact O-N 2.81Å; A511-V514 PolarHBondContact O-N 2.97Å; V514-K516 PolarHBondContact O-N 3.16Å; V514-R517 PolarHBondContact O-N 2.96Å; V514-F518 VanDerWaalsContact O-CB 3.22Å; V514-F518 WeakPolarHBondContact O-CB 3.37Å; V514-F518 PolarHBondContact O-N 2.89Å
515	I	92.8	Very high	88.2	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-51.6	178.3	-66.7	164.3	0	0	0	109.7	L483 L487 I496 P499 A511 R517 F518 I519 M535 L539	L483-I515 HydrophobicContact CD2-CD1 4.47Å; L487-I515 HydrophobicContact CD1-CG1 4.43Å; I496-I515 HydrophobicContact CD1-CD1 4.12Å; I496-I515 HydrophobicContact CD1-CG1 4.2Å; I496-I515 HydrophobicContact CD1-CG2 4.06Å; P499-I515 HydrophobicContact CB-CD1 4.18Å; P499-I515 HydrophobicContact CG-CD1 4.33Å; A511-I515 VanDerWaalsContact O-CG1 3.28Å; A511-I515 WeakPolarHBondContact O-CG1 3.48Å; A511-I515 PolarHBondContact O-N 3.47Å; I515-R517 PolarHBondContact O-N 3.13Å; I515-F518 PolarHBondContact O-N 3.02Å; I515-I519 HydrophobicContact CG2-CG1 4.29Å; I515-I519 WeakPolarHBondContact O-CB 3.32Å; I515-I519 WeakPolarHBondContact O-CG1 3.5Å; I515-I519 PolarHBondContact O-N 3.35Å; I515-M535 HydrophobicContact CD1-CE 4.19Å; I515-L539 HydrophobicContact CB-CD2 4.02Å; I515-L539 HydrophobicContact CG2-CD2 3.95Å
516	K	90.1	Very high	88.8	Confident	30 Å²	30	43.5 Å²	43.5	13%	0.13	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-48.4	-178.7	-171.5	167.5	-167.6	163.6	0	112.3	I384 A512 V514 L520 Y538 L539	I384-K516 HydrophobicContact CD1-CB 4.26Å; I384-K516 HydrophobicContact CD1-CG 4.2Å; A512-K516 WeakPolarHBondContact O-CB 3.45Å; A512-K516 PolarHBondContact O-N 2.84Å; V514-K516 PolarHBondContact O-N 3.16Å; K516-L520 HydrophobicContact CG-CD1 3.82Å; K516-L520 WeakPolarHBondContact O-CB 3.32Å; K516-L520 WeakPolarHBondContact O-CD1 3.31Å; K516-L520 WeakPolarHBondContact O-CG 3.35Å; K516-L520 PolarHBondContact O-N 3.29Å; K516-L520 VanDerWaalsContact O-N 3.08Å; K516-Y538 HydrophobicContact CB-CE1 4.39Å; K516-Y538 HydrophobicContact CD-CD1 4.35Å; K516-Y538 HydrophobicContact CD-CE1 4.03Å; K516-Y538 WeakPolarHBondContact CD-O 3.22Å; K516-Y538 PolarHBondContact NZ-O 3.05Å; K516-L539 HydrophobicContact CB-CD2 4.18Å
517	R	88.4	Confident	89.4	Confident	112 Å²	112	41.7 Å²	41.7	42%	0.423	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-45.7	-179.3	-172.7	179.5	-172	-164.6	-3.9	111.8	D455 K513 V514 I515 H521	D455-R517 IonicContact OD1-CZ 3.59Å; D455-R517 IonicContact OD1-NE 3.39Å; D455-R517 PolarHBondContact OD1-NE 3.18Å; D455-R517 IonicContact OD1-NH1 3.47Å; D455-R517 PolarHBondContact OD1-NH1 2.97Å; D455-R517 VanDerWaalsContact OD1-NH1 3.14Å; D455-R517 IonicContact OD1-NH2 3.4Å; D455-R517 PolarHBondContact OD1-NH2 3.42Å; K513-R517 WeakPolarHBondContact O-CB 3.47Å; K513-R517 PolarHBondContact O-N 2.77Å; V514-R517 PolarHBondContact O-N 2.96Å; I515-R517 PolarHBondContact O-N 3.13Å; R517-H521 PolarHBondContact NE-CE1 3.44Å; R517-H521 VanDerWaalsContact O-CB 3.3Å; R517-H521 WeakPolarHBondContact O-CB 3.28Å; R517-H521 PolarHBondContact O-CD2 2.64Å; R517-H521 VanDerWaalsContact O-CG 3.22Å; R517-H521 PolarHBondContact O-N 3.27Å
518	F	91	Very high	89.8	Confident	27 Å²	27	39.4 Å²	39.4	12%	0.118	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-46.9	-179.3	-178.8	-95.1	0	0	0	111.8	F452 V456 L487 Y494 V514 I515 L520 H521 A522	F452-F518 AromaticContact CD2-CE2 3.92Å; F452-F518 HydrophobicContact CD2-CE2 3.92Å; F452-F518 HydrophobicContact CE2-CE2 4.13Å; V456-F518 HydrophobicContact CG2-CD2 3.87Å; V456-F518 HydrophobicContact CG2-CE2 4.49Å; V456-F518 HydrophobicContact CG2-CG 4.39Å; L487-F518 HydrophobicContact CB-CD1 4.2Å; L487-F518 HydrophobicContact CB-CE1 4.12Å; L487-F518 HydrophobicContact CB-CZ 4.43Å; L487-F518 HydrophobicContact CD2-CD1 3.72Å; L487-F518 HydrophobicContact CD2-CE1 4.13Å; L487-F518 HydrophobicContact CD2-CG 4.44Å; L487-F518 HydrophobicContact CG-CD1 4.39Å; L487-F518 WeakPolarHBondContact O-CE1 3.34Å; L487-F518 WeakPolarHBondContact O-CZ 3.42Å; Y494-F518 HydrophobicContact CE1-CE1 4.16Å; Y494-F518 HydrophobicContact CE2-CE1 4.33Å; Y494-F518 AromaticContact CZ-CE1 3.81Å; V514-F518 VanDerWaalsContact O-CB 3.22Å; V514-F518 WeakPolarHBondContact O-CB 3.37Å; V514-F518 PolarHBondContact O-N 2.89Å; I515-F518 PolarHBondContact O-N 3.02Å; F518-L520 PolarHBondContact O-N 3.21Å; F518-H521 PolarHBondContact O-N 3.29Å; F518-A522 HydrophobicContact CE1-CB 4.44Å; F518-A522 WeakPolarHBondContact O-CB 3.42Å; F518-A522 PolarHBondContact O-N 3.29Å
519	I	90.5	Very high	90	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-42.1	-179	-64.8	-62.2	0	0	0	111.5	I384 Y494 I515 K523 K524 A526	I384-I519 HydrophobicContact CD1-CB 4.3Å; I384-I519 HydrophobicContact CD1-CG2 4.33Å; I384-I519 HydrophobicContact CG1-CB 4.4Å; I384-I519 HydrophobicContact CG1-CG2 3.91Å; Y494-I519 HydrophobicContact CD2-CD1 3.51Å; Y494-I519 HydrophobicContact CE2-CD1 4.08Å; Y494-I519 HydrophobicContact CG-CD1 3.92Å; I515-I519 HydrophobicContact CG2-CG1 4.29Å; I515-I519 WeakPolarHBondContact O-CB 3.32Å; I515-I519 WeakPolarHBondContact O-CG1 3.5Å; I515-I519 PolarHBondContact O-N 3.35Å; I519-K523 PolarHBondContact O-N 2.72Å; I519-K524 HydrophobicContact CD1-CB 4.43Å; I519-K524 WeakPolarHBondContact CG2-O 3.37Å; I519-K524 PolarHBondContact O-N 3.09Å; I519-K524 VanDerWaalsContact O-N 3.15Å; I519-A526 HydrophobicContact CD1-CB 3.86Å; I519-A526 HydrophobicContact CG1-CB 3.91Å; I519-A526 HydrophobicContact CG2-CB 4.4Å
520	L	86.4	Confident	90.2	Very high	68 Å²	68	37.4 Å²	37.4	36%	0.356	17%	0.173	S	C	.	.	H	α-helix	trans	-65.4	-44.3	175.8	-71	171.6	0	0	0	112.3	K516 F518 K523	K516-L520 HydrophobicContact CG-CD1 3.82Å; K516-L520 WeakPolarHBondContact O-CB 3.32Å; K516-L520 WeakPolarHBondContact O-CD1 3.31Å; K516-L520 WeakPolarHBondContact O-CG 3.35Å; K516-L520 PolarHBondContact O-N 3.29Å; K516-L520 VanDerWaalsContact O-N 3.08Å; F518-L520 PolarHBondContact O-N 3.21Å; L520-K523 PolarHBondContact O-N 2.87Å
521	H	86.3	Confident	90	Very high	115 Å²	115	34.9 Å²	34.9	53%	0.532	16%	0.162	S	C	.	.	H	α-helix	trans	-67	-41.9	178.9	-75.9	-165.6	0	0	0	112.4	D455 R517 F518 K523	D455-H521 IonicContact OD2-CE1 2.78Å; D455-H521 IonicContact OD2-ND1 3.42Å; D455-H521 PolarHBondContact OD2-ND1 3.38Å; R517-H521 PolarHBondContact NE-CE1 3.44Å; R517-H521 VanDerWaalsContact O-CB 3.3Å; R517-H521 WeakPolarHBondContact O-CB 3.28Å; R517-H521 PolarHBondContact O-CD2 2.64Å; R517-H521 VanDerWaalsContact O-CG 3.22Å; R517-H521 PolarHBondContact O-N 3.27Å; F518-H521 PolarHBondContact O-N 3.29Å; H521-K523 VanDerWaalsContact C-N 3.25Å; H521-K523 PolarHBondContact O-N 3.03Å
522	A	85.9	Confident	89.5	Confident	41 Å²	41	35.2 Å²	35.2	34%	0.339	16%	0.163	S	C	.	.	H	α-helix	trans	-79.4	-7.5	-179	0	0	0	0	0	113.2	F518 K524	F518-A522 HydrophobicContact CE1-CB 4.44Å; F518-A522 WeakPolarHBondContact O-CB 3.42Å; F518-A522 PolarHBondContact O-N 3.29Å; A522-K524 VanDerWaalsContact C-N 3.28Å; A522-K524 HydrophobicContact CB-CG 3.79Å; A522-K524 WeakPolarHBondContact O-CG 3.39Å; A522-K524 PolarHBondContact O-N 2.97Å
523	K	86.9	Confident	89.1	Confident	138 Å²	138	35.8 Å²	35.8	60%	0.6	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	42.2	-175	-59.3	-177.6	-179.3	-179.2	0	113.1	S382 I519 L520 H521	S382-K523 VanDerWaalsContact OG-CA 3.24Å; S382-K523 WeakPolarHBondContact OG-CA 3.29Å; S382-K523 WeakPolarHBondContact OG-CB 3.46Å; I519-K523 PolarHBondContact O-N 2.72Å; L520-K523 PolarHBondContact O-N 2.87Å; H521-K523 VanDerWaalsContact C-N 3.25Å; H521-K523 PolarHBondContact O-N 3.03Å
524	K	89.7	Confident	88.9	Confident	59 Å²	59	30.7 Å²	30.7	26%	0.257	14%	0.144	S	C	.	.			trans	-107.7	176.2	-177.7	-60.8	-51.4	-162.7	172.7	0	111.1	S382 A491 D492 Y494 I519 A522	S382-K524 WeakPolarHBondContact CA-O 3.35Å; S382-K524 PolarHBondContact N-O 3.32Å; S382-K524 VanDerWaalsContact N-O 3.11Å; A491-K524 WeakPolarHBondContact O-CE 3.44Å; D492-K524 IonicContact OD1-NZ 2.72Å; D492-K524 PolarHBondContact OD1-NZ 3.49Å; Y494-K524 HydrophobicContact CD2-CB 4.12Å; Y494-K524 HydrophobicContact CE2-CB 3.77Å; Y494-K524 HydrophobicContact CE2-CG 3.95Å; I519-K524 HydrophobicContact CD1-CB 4.43Å; I519-K524 WeakPolarHBondContact CG2-O 3.37Å; I519-K524 PolarHBondContact O-N 3.09Å; I519-K524 VanDerWaalsContact O-N 3.15Å; A522-K524 VanDerWaalsContact C-N 3.28Å; A522-K524 HydrophobicContact CB-CG 3.79Å; A522-K524 WeakPolarHBondContact O-CG 3.39Å; A522-K524 PolarHBondContact O-N 2.97Å
525	T	91.9	Very high	88.6	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.7	178	-56.2	0	0	0	0	110.1	F379 T380 E383 D492 V493 Y494 F527	F379-T525 HydrophobicContact CD2-CG2 3.93Å; T380-T525 PolarHBondContact O-OG1 3.44Å; E383-T525 HydrophobicContact CG-CG2 4.22Å; E383-T525 WeakPolarHBondContact O-CA 3.39Å; E383-T525 WeakPolarHBondContact O-CG2 3.48Å; D492-T525 PolarHBondContact O-N 2.86Å; D492-T525 VanDerWaalsContact O-N 3.17Å; V493-T525 WeakPolarHBondContact CA-O 3.32Å; Y494-T525 PolarHBondContact N-O 2.82Å; T525-F527 HydrophobicContact CG2-CE2 4.33Å
526	A	94.3	Very high	88.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.4	176.7	0	0	0	0	0	112.5	E383 I384 I385 Y494 I519 V528	E383-A526 PolarHBondContact O-N 3.15Å; E383-A526 VanDerWaalsContact O-N 3.16Å; I384-A526 WeakPolarHBondContact CA-O 3.05Å; I384-A526 HydrophobicContact CG1-CB 4.43Å; I385-A526 PolarHBondContact N-O 2.83Å; Y494-A526 CarbonylContact O-C 3.56Å; Y494-A526 VanDerWaalsContact O-CA 3.22Å; Y494-A526 WeakPolarHBondContact O-CA 3.15Å; I519-A526 HydrophobicContact CD1-CB 3.86Å; I519-A526 HydrophobicContact CG1-CB 3.91Å; I519-A526 HydrophobicContact CG2-CB 4.4Å; A526-V528 HydrophobicContact CB-CG2 4.24Å
527	F	94.9	Very high	88.1	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118	165.3	-67.8	-98.2	0	0	0	108.8	F379 I385 L387 L402 V493 Y494 L495 I496 T525	F379-F527 HydrophobicContact CB-CZ 4.38Å; F379-F527 HydrophobicContact CD1-CZ 4.2Å; F379-F527 HydrophobicContact CG-CZ 4.22Å; I385-F527 HydrophobicContact CB-CD1 3.89Å; I385-F527 HydrophobicContact CB-CE1 4.02Å; I385-F527 HydrophobicContact CD1-CD1 4.27Å; I385-F527 HydrophobicContact CD1-CE1 3.53Å; I385-F527 HydrophobicContact CD1-CE2 4.47Å; I385-F527 HydrophobicContact CD1-CZ 3.65Å; I385-F527 HydrophobicContact CG1-CE1 4.35Å; I385-F527 HydrophobicContact CG2-CD1 3.95Å; I385-F527 HydrophobicContact CG2-CE1 4.01Å; I385-F527 CarbonylContact O-C 3.26Å; I385-F527 WeakPolarHBondContact O-CA 3.16Å; L387-F527 HydrophobicContact CD2-CD1 4.28Å; L402-F527 HydrophobicContact CD1-CD1 4.16Å; L402-F527 HydrophobicContact CD1-CD2 4.44Å; L402-F527 HydrophobicContact CD1-CE1 4.2Å; L402-F527 HydrophobicContact CD1-CE2 4.48Å; L402-F527 HydrophobicContact CD1-CG 4.28Å; L402-F527 HydrophobicContact CD1-CZ 4.36Å; V493-F527 HydrophobicContact CG1-CD2 3.7Å; V493-F527 HydrophobicContact CG1-CE2 3.9Å; Y494-F527 PolarHBondContact O-N 2.9Å; L495-F527 HydrophobicContact CD2-CB 3.71Å; L495-F527 HydrophobicContact CD2-CD2 3.76Å; L495-F527 HydrophobicContact CD2-CG 4.02Å; I496-F527 PolarHBondContact N-O 3.22Å; T525-F527 HydrophobicContact CG2-CE2 4.33Å
528	V	94.8	Very high	88	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.1	-176.1	-170.9	0	0	0	0	109.8	I384 I385 V386 L387 I496 P499 A526 E530 L539	I384-V528 HydrophobicContact CG2-CG2 3.99Å; I385-V528 PolarHBondContact O-N 3.33Å; V386-V528 CarbonylContact C-O 3.59Å; V386-V528 VanDerWaalsContact CA-O 3.3Å; V386-V528 WeakPolarHBondContact CA-O 3.46Å; V386-V528 HydrophobicContact CG2-CB 4.45Å; L387-V528 PolarHBondContact N-O 3.44Å; I496-V528 HydrophobicContact CB-CG1 4.37Å; I496-V528 HydrophobicContact CB-CG2 4.36Å; I496-V528 HydrophobicContact CD1-CG2 4.44Å; I496-V528 WeakPolarHBondContact O-CA 3.44Å; P499-V528 HydrophobicContact CG-CG1 3.65Å; A526-V528 HydrophobicContact CB-CG2 4.24Å; V528-E530 HydrophobicContact CG1-CG 3.92Å; V528-L539 HydrophobicContact CG1-CD1 4.05Å
529	V	93	Very high	87.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.6	168.7	171.8	0	0	0	0	108.2	L387 K395 I399 I496 D497 E498 P499	L387-V529 HydrophobicContact CB-CG2 3.79Å; L387-V529 HydrophobicContact CD1-CG2 3.75Å; L387-V529 HydrophobicContact CG-CG2 4.16Å; K395-V529 HydrophobicContact CB-CG1 4.28Å; K395-V529 HydrophobicContact CB-CG2 4.05Å; K395-V529 HydrophobicContact CD-CG1 4.08Å; I399-V529 HydrophobicContact CD1-CB 4.28Å; I399-V529 HydrophobicContact CD1-CG2 3.35Å; I399-V529 HydrophobicContact CG1-CG2 4.15Å; I496-V529 PolarHBondContact O-N 2.82Å; D497-V529 WeakPolarHBondContact OD1-CB 3.31Å; E498-V529 WeakPolarHBondContact CA-O 3.38Å; E498-V529 HydrophobicContact CG-CG1 4.11Å; E498-V529 PolarHBondContact N-O 3.37Å; E498-V529 VanDerWaalsContact N-O 3.11Å; P499-V529 WeakPolarHBondContact CD-O 3.27Å
530	E	88.6	Confident	87.7	Confident	1 Å²	1	26 Å²	26	1%	0.005	13%	0.129	C	C	.	.			trans	-135.5	150.6	178.1	-91.8	-60.2	160.4	0	0	112.8	V386 L387 L388 P499 S500 V528 D532 M535 A536	V386-E530 HydrophobicContact CG1-CB 4.27Å; L387-E530 PolarHBondContact O-N 2.88Å; L388-E530 WeakPolarHBondContact CD2-O 3.44Å; P499-E530 WeakPolarHBondContact CD-OE1 3.26Å; P499-E530 HydrophobicContact CG-CG 4.29Å; P499-E530 WeakPolarHBondContact CG-OE1 3.31Å; S500-E530 VanDerWaalsContact CB-OE1 3.3Å; S500-E530 WeakPolarHBondContact CB-OE1 3.45Å; S500-E530 WeakPolarHBondContact CB-OE2 3.46Å; S500-E530 PolarHBondContact N-OE1 3.17Å; S500-E530 PolarHBondContact OG-OE1 3.29Å; S500-E530 PolarHBondContact OG-OE2 2.87Å; V528-E530 HydrophobicContact CG1-CG 3.92Å; E530-D532 PolarHBondContact OE2-N 3.07Å; E530-M535 HydrophobicContact CG-CG 4.13Å; E530-M535 VanDerWaalsContact OE1-SD 3.32Å; E530-A536 HydrophobicContact CB-CB 4.23Å
531	H	82.8	Confident	87.7	Confident	8 Å²	8	25.5 Å²	25.5	4%	0.037	13%	0.126	C	C	.	.			trans	-119.1	-18.9	175.4	-75.1	-79.2	0	0	0	112	V259 G389 N391 K395 E498	V259-H531 WeakPolarHBondContact CG2-O 3.28Å; G389-H531 PolarHBondContact O-CE1 3.21Å; G389-H531 VanDerWaalsContact O-CE1 3.28Å; N391-H531 PolarHBondContact OD1-CE1 2.98Å; N391-H531 PolarHBondContact OD1-NE2 3.49Å; N391-H531 VanDerWaalsContact OD1-NE2 3.13Å; K395-H531 VanDerWaalsContact CE-NE2 3.32Å; K395-H531 WeakPolarHBondContact CE-NE2 3.46Å; K395-H531 PolarHBondContact NZ-CE1 2.88Å; K395-H531 PolarHBondContact NZ-NE2 3.44Å; K395-H531 VanDerWaalsContact NZ-NE2 3.17Å; E498-H531 IonicContact OE1-CD2 2.82Å; E498-H531 PolarHBondContact OE1-CD2 3.41Å; E498-H531 VanDerWaalsContact OE1-CD2 3.28Å; E498-H531 IonicContact OE1-NE2 3.53Å; E498-H531 PolarHBondContact OE1-NE2 2.92Å
532	D	81.5	Confident	88	Confident	8 Å²	8	22.8 Å²	22.8	4%	0.043	11%	0.111	C	C	.	.			trans	-82.3	116.8	174.9	-172.8	-15.2	0	0	0	110.1	R508 E530 I534 M535 A536	R508-D532 VanDerWaalsContact CD-OD2 3.3Å; R508-D532 WeakPolarHBondContact CD-OD2 3.34Å; R508-D532 IonicContact CZ-OD2 2.69Å; R508-D532 IonicContact NH1-OD2 3.2Å; R508-D532 PolarHBondContact NH1-OD2 2.82Å; E530-D532 PolarHBondContact OE2-N 3.07Å; D532-I534 PolarHBondContact O-N 2.85Å; D532-I534 PolarHBondContact OD1-N 2.67Å; D532-M535 HydrophobicContact CB-CB 4.07Å; D532-M535 PolarHBondContact O-N 3.41Å; D532-A536 VanDerWaalsContact O-CB 3.29Å; D532-A536 WeakPolarHBondContact O-CB 3.42Å; D532-A536 PolarHBondContact O-N 3.07Å
533	F	82.1	Confident	88.3	Confident	11 Å²	11	20.9 Å²	20.9	5%	0.048	10%	0.095	C	C	.	.	H	α-helix	trans	-57.4	-36.5	179.7	-77.6	-70.6	0	0	0	113.8	V259 T537 M566 F569 L570 L573 F577	V259-F533 HydrophobicContact CB-CE2 4.24Å; V259-F533 HydrophobicContact CB-CZ 4.32Å; V259-F533 HydrophobicContact CG1-CE1 4.48Å; V259-F533 HydrophobicContact CG1-CE2 3.32Å; V259-F533 HydrophobicContact CG1-CZ 3.33Å; V259-F533 HydrophobicContact CG2-CD2 4.43Å; V259-F533 HydrophobicContact CG2-CE2 3.88Å; V259-F533 HydrophobicContact CG2-CZ 4.03Å; F533-T537 VanDerWaalsContact O-CB 3.27Å; F533-T537 WeakPolarHBondContact O-CB 3.43Å; F533-T537 PolarHBondContact O-N 2.85Å; F533-T537 PolarHBondContact O-OG1 3.4Å; F533-M566 HydrophobicContact CD1-CE 3.71Å; F533-M566 HydrophobicContact CE1-CE 3.93Å; F533-F569 AromaticContact CE1-CD1 3.97Å; F533-F569 HydrophobicContact CE1-CD1 3.97Å; F533-F569 AromaticContact CE1-CE1 3.58Å; F533-F569 HydrophobicContact CE1-CE1 3.58Å; F533-F569 AromaticContact CZ-CE1 3.84Å; F533-F569 HydrophobicContact CZ-CE1 3.84Å; F533-L570 HydrophobicContact CE1-CD2 3.69Å; F533-L570 HydrophobicContact CZ-CD2 3.82Å; F533-L573 HydrophobicContact CZ-CD1 4.43Å; F533-F577 HydrophobicContact CB-CZ 4.41Å; F533-F577 HydrophobicContact CD1-CE2 4.3Å; F533-F577 HydrophobicContact CD1-CZ 4.03Å; F533-F577 HydrophobicContact CD2-CE1 4.38Å; F533-F577 HydrophobicContact CD2-CE2 4.33Å; F533-F577 AromaticContact CD2-CZ 3.55Å; F533-F577 HydrophobicContact CD2-CZ 3.55Å; F533-F577 AromaticContact CE1-CE2 3.91Å; F533-F577 HydrophobicContact CE1-CE2 3.91Å; F533-F577 HydrophobicContact CE1-CZ 4.02Å; F533-F577 AromaticContact CE2-CE2 3.92Å; F533-F577 HydrophobicContact CE2-CE2 3.92Å; F533-F577 AromaticContact CE2-CZ 3.52Å; F533-F577 HydrophobicContact CE2-CZ 3.52Å; F533-F577 HydrophobicContact CG-CE1 4.37Å; F533-F577 HydrophobicContact CG-CE2 4.46Å; F533-F577 AromaticContact CG-CZ 3.76Å; F533-F577 HydrophobicContact CG-CZ 3.76Å; F533-F577 AromaticContact CZ-CE2 3.66Å; F533-F577 HydrophobicContact CZ-CE2 3.66Å; F533-F577 AromaticContact CZ-CZ 3.73Å; F533-F577 HydrophobicContact CZ-CZ 3.73Å
534	I	82.8	Confident	88.6	Confident	16 Å²	16	14.3 Å²	14.3	8%	0.082	7%	0.067	C	C	.	.	H	α-helix	trans	-68.8	-46.8	-177	-66.2	178.3	0	0	0	109.1	L286 F341 D532 Y538 P586	L286-I534 HydrophobicContact CB-CD1 3.85Å; L286-I534 HydrophobicContact CD1-CD1 4.22Å; L286-I534 HydrophobicContact CG-CD1 4.4Å; F341-I534 HydrophobicContact CD1-CG2 3.78Å; F341-I534 HydrophobicContact CE1-CG2 3.08Å; F341-I534 HydrophobicContact CZ-CG2 3.69Å; D532-I534 PolarHBondContact O-N 2.85Å; D532-I534 PolarHBondContact OD1-N 2.67Å; I534-Y538 WeakPolarHBondContact O-CB 3.12Å; I534-Y538 PolarHBondContact O-N 2.89Å; I534-Y538 VanDerWaalsContact O-N 3.1Å; I534-P586 HydrophobicContact CG1-CG 4.1Å
535	M	86.7	Confident	88.8	Confident	3 Å²	3	11.5 Å²	11.5	2%	0.015	6%	0.055	C	C	.	.	H	α-helix	trans	-67	-44.3	178.3	-172.1	156.4	-178.5	0	0	111.7	P499 R508 A511 A512 I515 E530 D532 T537 Y538 L539	P499-M535 HydrophobicContact CB-CE 3.82Å; P499-M535 HydrophobicContact CG-CE 3.72Å; R508-M535 HydrophobicContact CB-SD 4.31Å; A511-M535 HydrophobicContact CB-CE 4.44Å; A512-M535 HydrophobicContact CB-CE 4.06Å; A512-M535 HydrophobicContact CB-CG 3.97Å; A512-M535 HydrophobicContact CB-SD 4.45Å; I515-M535 HydrophobicContact CD1-CE 4.19Å; E530-M535 HydrophobicContact CG-CG 4.13Å; E530-M535 VanDerWaalsContact OE1-SD 3.32Å; D532-M535 HydrophobicContact CB-CB 4.07Å; D532-M535 PolarHBondContact O-N 3.41Å; M535-T537 PolarHBondContact O-N 3.21Å; M535-Y538 PolarHBondContact O-N 3.07Å; M535-L539 HydrophobicContact CE-CD1 3.87Å; M535-L539 HydrophobicContact CG-CD1 3.78Å; M535-L539 HydrophobicContact CG-CG 4.4Å; M535-L539 WeakPolarHBondContact O-CB 3.36Å; M535-L539 WeakPolarHBondContact O-CG 3.28Å; M535-L539 PolarHBondContact O-N 2.78Å
536	A	87.1	Confident	88.8	Confident	2 Å²	2	11.7 Å²	11.7	2%	0.017	6%	0.055	C	C	.	.	H	α-helix	trans	-58.4	-48.3	176.3	0	0	0	0	0	111.8	V386 L388 E530 D532 Y538 L539 A540	V386-A536 HydrophobicContact CG1-CB 4.04Å; L388-A536 HydrophobicContact CD2-CB 3.98Å; E530-A536 HydrophobicContact CB-CB 4.23Å; D532-A536 VanDerWaalsContact O-CB 3.29Å; D532-A536 WeakPolarHBondContact O-CB 3.42Å; D532-A536 PolarHBondContact O-N 3.07Å; A536-Y538 VanDerWaalsContact C-N 3.29Å; A536-Y538 PolarHBondContact O-N 3.36Å; A536-L539 PolarHBondContact O-N 3.4Å; A536-A540 WeakPolarHBondContact O-CB 3.16Å; A536-A540 PolarHBondContact O-N 3.26Å
537	T	84.6	Confident	88.6	Confident	15 Å²	15	13.2 Å²	13.2	9%	0.092	7%	0.066	C	C	.	.	H	α-helix	trans	-63	-36.2	178.5	-60.1	0	0	0	0	112.1	F533 M535 Y609	F533-T537 VanDerWaalsContact O-CB 3.27Å; F533-T537 WeakPolarHBondContact O-CB 3.43Å; F533-T537 PolarHBondContact O-N 2.85Å; F533-T537 PolarHBondContact O-OG1 3.4Å; M535-T537 PolarHBondContact O-N 3.21Å; T537-Y609 WeakPolarHBondContact CG2-OH 2.97Å; T537-Y609 PolarHBondContact OG1-OH 3.22Å
538	Y	85.2	Confident	88.1	Confident	52 Å²	52	15 Å²	15	20%	0.204	9%	0.085	C	C	.	.	H	α-helix	trans	-73.1	-39.4	-178.6	-172.8	-90.9	0	0	0	112.3	L509 A512 K513 K516 I534 M535 A536	L509-Y538 HydrophobicContact CD1-CD2 4.24Å; L509-Y538 HydrophobicContact CD1-CE2 4.45Å; L509-Y538 HydrophobicContact CD1-CG 4.34Å; A512-Y538 HydrophobicContact CB-CD1 3.73Å; A512-Y538 HydrophobicContact CB-CE1 4.28Å; K513-Y538 HydrophobicContact CB-CE1 4.28Å; K516-Y538 HydrophobicContact CB-CE1 4.39Å; K516-Y538 HydrophobicContact CD-CD1 4.35Å; K516-Y538 HydrophobicContact CD-CE1 4.03Å; K516-Y538 WeakPolarHBondContact CD-O 3.22Å; K516-Y538 PolarHBondContact NZ-O 3.05Å; I534-Y538 WeakPolarHBondContact O-CB 3.12Å; I534-Y538 PolarHBondContact O-N 2.89Å; I534-Y538 VanDerWaalsContact O-N 3.1Å; M535-Y538 PolarHBondContact O-N 3.07Å; A536-Y538 VanDerWaalsContact C-N 3.29Å; A536-Y538 PolarHBondContact O-N 3.36Å
539	L	88.9	Confident	87.6	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-79.9	-41.5	-178.4	-73.3	176	0	0	0	113.5	I384 V386 A512 I515 K516 V528 M535 A536 D541	I384-L539 WeakPolarHBondContact CB-O 3.07Å; I384-L539 HydrophobicContact CD1-CD2 4.46Å; I384-L539 HydrophobicContact CG2-CB 4.25Å; I384-L539 WeakPolarHBondContact CG2-O 3.3Å; V386-L539 HydrophobicContact CG2-CB 4.15Å; A512-L539 HydrophobicContact CB-CD2 4.16Å; A512-L539 HydrophobicContact CB-CG 4.14Å; A512-L539 VanDerWaalsContact O-CD2 3.25Å; A512-L539 WeakPolarHBondContact O-CD2 3.27Å; I515-L539 HydrophobicContact CB-CD2 4.02Å; I515-L539 HydrophobicContact CG2-CD2 3.95Å; K516-L539 HydrophobicContact CB-CD2 4.18Å; V528-L539 HydrophobicContact CG1-CD1 4.05Å; M535-L539 HydrophobicContact CE-CD1 3.87Å; M535-L539 HydrophobicContact CG-CD1 3.78Å; M535-L539 HydrophobicContact CG-CG 4.4Å; M535-L539 WeakPolarHBondContact O-CB 3.36Å; M535-L539 WeakPolarHBondContact O-CG 3.28Å; M535-L539 PolarHBondContact O-N 2.78Å; A536-L539 PolarHBondContact O-N 3.4Å; L539-D541 PolarHBondContact O-N 3.34Å
540	A	86.4	Confident	87	Confident	7 Å²	7	21.8 Å²	21.8	6%	0.058	12%	0.124	C	C	.	.			trans	-70.9	126.7	-165.4	0	0	0	0	0	114.1	V386 A536 V543 L562	V386-A540 HydrophobicContact CB-CB 3.87Å; V386-A540 HydrophobicContact CG2-CB 3.52Å; A536-A540 WeakPolarHBondContact O-CB 3.16Å; A536-A540 PolarHBondContact O-N 3.26Å; A540-V543 HydrophobicContact CB-CG2 3.89Å; A540-L562 HydrophobicContact CB-CD1 3.69Å
541	D	87.6	Confident	86.4	Confident	57 Å²	57	25.8 Å²	25.8	31%	0.305	15%	0.152	S	C	.	.	S	Bend	trans	-93	-41.7	158.7	-58.4	-51.1	0	0	0	110.1	I384 L539	I384-D541 PolarHBondContact N-OD2 2.89Å; I384-D541 PolarHBondContact O-N 2.95Å; L539-D541 PolarHBondContact O-N 3.34Å
542	R	91.2	Very high	86.4	Confident	57 Å²	57	27.9 Å²	27.9	22%	0.215	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.3	174	-68.2	177.4	77.1	-173.8	3.2	110.7	E378 E383 I384 I385 V386 P559 Q560	E378-R542 PolarHBondContact O-NH1 3.33Å; E383-R542 IonicContact OE1-NH1 3.61Å; I384-R542 PolarHBondContact O-N 3.45Å; I385-R542 WeakPolarHBondContact CA-O 3.32Å; I385-R542 HydrophobicContact CG1-CB 4.35Å; V386-R542 PolarHBondContact N-O 3.2Å; R542-P559 HydrophobicContact CB-CB 4.49Å; R542-P559 PolarHBondContact NE-O 2.92Å; R542-P559 PolarHBondContact NH2-O 3.12Å; R542-Q560 CarbonylContact C-O 3.6Å; R542-Q560 WeakPolarHBondContact CA-O 3.47Å; R542-Q560 VanDerWaalsContact CB-O 3.29Å; R542-Q560 WeakPolarHBondContact CB-O 3.28Å
543	V	92.4	Very high	86.8	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.9	-176.1	177.3	0	0	0	0	109.7	V386 L388 A540 V545 Q560 L562	V386-V543 CarbonylContact O-C 3.58Å; V386-V543 WeakPolarHBondContact O-CA 3.29Å; L388-V543 HydrophobicContact CB-CG1 4.35Å; L388-V543 HydrophobicContact CD1-CG1 3.63Å; L388-V543 HydrophobicContact CG-CG1 3.94Å; A540-V543 HydrophobicContact CB-CG2 3.89Å; V543-V545 HydrophobicContact CG1-CG2 3.96Å; V543-Q560 PolarHBondContact N-O 3.21Å; V543-Q560 PolarHBondContact O-N 3.34Å; V543-L562 HydrophobicContact CG2-CD1 3.75Å
544	V	93.9	Very high	87.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.5	167.5	167.6	0	0	0	0	107.5	I385 V386 L387 L388 F546 A556 A557 P559	I385-V544 HydrophobicContact CG2-CG2 3.72Å; V386-V544 PolarHBondContact O-N 3.37Å; L387-V544 HydrophobicContact CD2-CB 3.52Å; L387-V544 HydrophobicContact CD2-CG1 3.9Å; L387-V544 HydrophobicContact CD2-CG2 3.92Å; L388-V544 PolarHBondContact N-O 3.32Å; V544-F546 HydrophobicContact CG1-CD2 4.15Å; V544-F546 HydrophobicContact CG1-CE2 3.8Å; V544-A556 HydrophobicContact CG1-CB 4.39Å; V544-A557 WeakPolarHBondContact CG1-O 3.24Å; V544-P559 HydrophobicContact CG2-CB 3.75Å; V544-P559 HydrophobicContact CG2-CG 3.71Å
545	V	93.1	Very high	87.7	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.3	179.9	-176.1	0	0	0	0	108.7	V543 A557 G565 K568 F569 L572	V543-V545 HydrophobicContact CG1-CG2 3.96Å; V545-A557 WeakPolarHBondContact O-CB 3.38Å; V545-A557 PolarHBondContact O-N 3.09Å; V545-G565 WeakPolarHBondContact CG2-O 3.48Å; V545-K568 HydrophobicContact CB-CD 4.43Å; V545-K568 HydrophobicContact CG1-CG 4.41Å; V545-K568 HydrophobicContact CG2-CB 4.45Å; V545-F569 HydrophobicContact CG1-CB 4.07Å; V545-F569 HydrophobicContact CG1-CD2 4.25Å; V545-F569 HydrophobicContact CG2-CB 4.19Å; V545-L572 HydrophobicContact CG1-CD1 4.09Å
546	F	92.3	Very high	88	Confident	5 Å²	5	34 Å²	34	2%	0.022	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.6	170.7	-71.9	-108.1	0	0	0	109.6	L372 L387 L388 T393 K395 M398 V544 V555 A556	L372-F546 HydrophobicContact CD1-CD1 4.38Å; L372-F546 HydrophobicContact CD1-CE1 4.11Å; L387-F546 HydrophobicContact CB-CE2 3.96Å; L387-F546 HydrophobicContact CD1-CE2 4.31Å; L387-F546 HydrophobicContact CD1-CZ 4.47Å; L387-F546 HydrophobicContact CD2-CE2 4.25Å; L387-F546 HydrophobicContact CG-CE2 4.39Å; L388-F546 PolarHBondContact O-N 2.93Å; T393-F546 VanDerWaalsContact O-CD1 3.23Å; T393-F546 WeakPolarHBondContact O-CD1 3.3Å; K395-F546 HydrophobicContact CB-CE2 4.42Å; K395-F546 HydrophobicContact CB-CZ 4.29Å; K395-F546 HydrophobicContact CD-CD2 4.41Å; K395-F546 HydrophobicContact CG-CD1 4.25Å; K395-F546 HydrophobicContact CG-CD2 3.84Å; K395-F546 HydrophobicContact CG-CE1 4.27Å; K395-F546 HydrophobicContact CG-CE2 3.9Å; K395-F546 HydrophobicContact CG-CG 4.02Å; K395-F546 HydrophobicContact CG-CZ 4.09Å; M398-F546 HydrophobicContact CB-CE1 4.31Å; M398-F546 HydrophobicContact CB-CZ 3.91Å; M398-F546 HydrophobicContact CG-CZ 4.32Å; M398-F546 HydrophobicContact SD-CE1 4.34Å; M398-F546 HydrophobicContact SD-CE2 4.09Å; M398-F546 HydrophobicContact SD-CZ 3.45Å; M398-F546 WeakPolarHBondContact SD-CZ 3.45Å; V544-F546 HydrophobicContact CG1-CD2 4.15Å; V544-F546 HydrophobicContact CG1-CE2 3.8Å; F546-V555 WeakPolarHBondContact CA-O 3.45Å; F546-A556 HydrophobicContact CD1-CB 3.82Å; F546-A556 HydrophobicContact CE1-CB 3.52Å; F546-A556 HydrophobicContact CE2-CB 4.3Å; F546-A556 HydrophobicContact CG-CB 4.38Å; F546-A556 HydrophobicContact CZ-CB 3.79Å
547	S	89.7	Confident	88.3	Confident	31 Å²	31	34 Å²	34	22%	0.217	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	157	173.9	48	0	0	0	0	110.6	A554 V555	S547-A554 CarbonylContact O-C 3.51Å; S547-A554 WeakPolarHBondContact O-CA 3.49Å; S547-V555 PolarHBondContact N-O 3.14Å; S547-V555 PolarHBondContact O-N 3.28Å
548	G	86	Confident	88.7	Confident	40 Å²	40	35.4 Å²	35.4	41%	0.412	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.1	-173.2	178.7	0	0	0	0	0	112.6	E553	G548-E553 CarbonylContact C-O 3.52Å; G548-E553 WeakPolarHBondContact CA-O 3.23Å
549	N	84.3	Confident	89	Confident	91 Å²	91	33.3 Å²	33.3	49%	0.487	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123	-178.1	-72.9	-49.6	0	0	0	109.9	S551 S552 E553	N549-S551 PolarHBondContact O-N 2.94Å; N549-S552 WeakPolarHBondContact CB-OG 3.47Å; N549-S552 PolarHBondContact O-N 3.07Å; N549-S552 PolarHBondContact O-OG 2.78Å; N549-E553 HydrophobicContact CB-CG 4.34Å; N549-E553 PolarHBondContact N-O 3.37Å; N549-E553 PolarHBondContact ND2-OE1 2.78Å; N549-E553 PolarHBondContact O-N 2.93Å; N549-E553 VanDerWaalsContact O-O 3.05Å
550	P	79.5	Confident	89.1	Confident	51 Å²	51	35.8 Å²	35.8	33%	0.331	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	133.4	178.9	-28.8	35.6	0	0	0	112.8	E390 S552	E390-P550 HydrophobicContact CB-CG 4.27Å; E390-P550 WeakPolarHBondContact OE2-CG 3.38Å; P550-S552 PolarHBondContact O-N 2.89Å
551	S	76	Confident	89.1	Confident	86 Å²	86	38.1 Å²	38.1	60%	0.601	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	9	178.3	-48.9	0	0	0	0	116.5	G392 N549	G392-S551 PolarHBondContact O-N 2.93Å; N549-S551 PolarHBondContact O-N 2.94Å
552	S	84.1	Confident	89.1	Confident	51 Å²	51	37 Å²	37	36%	0.357	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-66.1	171.8	60.6	0	0	0	0	112.7	F370 E371 N549 P550	F370-S552 CarbonylContact C-O 3.57Å; F370-S552 WeakPolarHBondContact CA-O 3.21Å; E371-S552 PolarHBondContact N-O 3.28Å; N549-S552 WeakPolarHBondContact CB-OG 3.47Å; N549-S552 PolarHBondContact O-N 3.07Å; N549-S552 PolarHBondContact O-OG 2.78Å; P550-S552 PolarHBondContact O-N 2.89Å
553	E	89.5	Confident	88.7	Confident	113 Å²	113	38.2 Å²	38.2	53%	0.528	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.3	-175	65.4	-173.4	166.4	0	0	109.5	E371 G548 N549	E371-E553 CarbonylContact O-C 3.59Å; E371-E553 WeakPolarHBondContact O-CA 3.47Å; G548-E553 CarbonylContact C-O 3.52Å; G548-E553 WeakPolarHBondContact CA-O 3.23Å; N549-E553 HydrophobicContact CB-CG 4.34Å; N549-E553 PolarHBondContact N-O 3.37Å; N549-E553 PolarHBondContact ND2-OE1 2.78Å; N549-E553 PolarHBondContact O-N 2.93Å; N549-E553 VanDerWaalsContact O-O 3.05Å
554	A	90.9	Very high	88.4	Confident	2 Å²	2	42.3 Å²	42.3	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.6	175.9	0	0	0	0	0	111.6	F370 E371 L372 T373 T393 S547	F370-A554 HydrophobicContact CE2-CB 3.85Å; F370-A554 HydrophobicContact CZ-CB 3.9Å; E371-A554 PolarHBondContact O-N 3.01Å; L372-A554 WeakPolarHBondContact CA-O 3.48Å; L372-A554 HydrophobicContact CD1-CB 4.11Å; T373-A554 PolarHBondContact N-O 2.9Å; T393-A554 WeakPolarHBondContact O-CB 3.27Å; S547-A554 CarbonylContact O-C 3.51Å; S547-A554 WeakPolarHBondContact O-CA 3.49Å
555	V	92.6	Very high	88	Confident	52 Å²	52	42.3 Å²	42.3	32%	0.315	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.4	175.5	-176.3	0	0	0	0	108.4	T373 E375 F546 S547	T373-V555 CarbonylContact O-C 3.56Å; T373-V555 VanDerWaalsContact O-CA 3.27Å; T373-V555 WeakPolarHBondContact O-CA 3.44Å; E375-V555 HydrophobicContact CG-CG1 4.3Å; F546-V555 WeakPolarHBondContact CA-O 3.45Å; S547-V555 PolarHBondContact N-O 3.14Å; S547-V555 PolarHBondContact O-N 3.28Å
556	A	93.3	Very high	87.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	113.3	169	0	0	0	0	0	108.6	T373 V374 E375 M398 V544 F546	T373-A556 PolarHBondContact O-N 3.48Å; V374-A556 HydrophobicContact CB-CB 4.42Å; V374-A556 HydrophobicContact CG1-CB 4.25Å; V374-A556 HydrophobicContact CG2-CB 4.2Å; E375-A556 WeakPolarHBondContact CB-O 3.32Å; E375-A556 PolarHBondContact N-O 3.21Å; M398-A556 HydrophobicContact SD-CB 4.19Å; V544-A556 HydrophobicContact CG1-CB 4.39Å; F546-A556 HydrophobicContact CD1-CB 3.82Å; F546-A556 HydrophobicContact CE1-CB 3.52Å; F546-A556 HydrophobicContact CE2-CB 4.3Å; F546-A556 HydrophobicContact CG-CB 4.38Å; F546-A556 HydrophobicContact CZ-CB 3.79Å
557	A	92.8	Very high	87.4	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-71.3	158.8	-179.4	0	0	0	0	0	112.3	E375 V544 V545	E375-A557 VanDerWaalsContact OE2-CA 3.3Å; E375-A557 WeakPolarHBondContact OE2-CA 3.43Å; V544-A557 WeakPolarHBondContact CG1-O 3.24Å; V545-A557 WeakPolarHBondContact O-CB 3.38Å; V545-A557 PolarHBondContact O-N 3.09Å
558	S	92.1	Very high	87.2	Confident	44 Å²	44	45.4 Å²	45.4	31%	0.308	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-54.5	149.1	168.7	53.8	0	0	0	0	112.2	E375 D376 Q560	E375-S558 PolarHBondContact OE2-N 3.37Å; D376-S558 WeakPolarHBondContact O-CB 3.34Å; S558-Q560 WeakPolarHBondContact O-CG 3.45Å; S558-Q560 PolarHBondContact O-N 3.39Å
559	P	92.5	Very high	87.2	Confident	8 Å²	8	44 Å²	44	5%	0.052	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-66	124.8	-176.4	-16.9	29.2	0	0	0	111.7	Y360 R542 V544	Y360-P559 HydrophobicContact CE1-CG 4.32Å; Y360-P559 VanDerWaalsContact OH-CD 3.31Å; Y360-P559 WeakPolarHBondContact OH-CD 3.37Å; Y360-P559 VanDerWaalsContact OH-CG 3.3Å; Y360-P559 WeakPolarHBondContact OH-CG 3.49Å; R542-P559 HydrophobicContact CB-CB 4.49Å; R542-P559 PolarHBondContact NE-O 2.92Å; R542-P559 PolarHBondContact NH2-O 3.12Å; V544-P559 HydrophobicContact CG2-CB 3.75Å; V544-P559 HydrophobicContact CG2-CG 3.71Å
560	Q	90.4	Very high	87.3	Confident	52 Å²	52	39.6 Å²	39.6	24%	0.243	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	167.8	-177.4	-59.8	-173.2	-6.9	0	0	111.8	R542 V543 S558 N564	R542-Q560 CarbonylContact C-O 3.6Å; R542-Q560 WeakPolarHBondContact CA-O 3.47Å; R542-Q560 VanDerWaalsContact CB-O 3.29Å; R542-Q560 WeakPolarHBondContact CB-O 3.28Å; V543-Q560 PolarHBondContact N-O 3.21Å; V543-Q560 PolarHBondContact O-N 3.34Å; S558-Q560 WeakPolarHBondContact O-CG 3.45Å; S558-Q560 PolarHBondContact O-N 3.39Å; Q560-N564 HydrophobicContact CB-CB 4.29Å
561	S	88	Confident	87.4	Confident	57 Å²	57	38.2 Å²	38.2	40%	0.399	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	152.5	169.8	68.3	0	0	0	0	110.8	L563 N564 G565	S561-L563 PolarHBondContact O-N 3.12Å; S561-L563 VanDerWaalsContact O-N 3.17Å; S561-N564 PolarHBondContact O-N 3.4Å; S561-N564 VanDerWaalsContact O-N 3.12Å; S561-N564 PolarHBondContact OG-N 2.92Å; S561-G565 PolarHBondContact O-N 3.42Å
562	L	85.7	Confident	87.7	Confident	33 Å²	33	38.4 Å²	38.4	17%	0.173	21%	0.214	C	C	.	.	H	α-helix	trans	-48.7	-44.8	178.3	179.3	61.3	0	0	0	112.9	A540 V543 M566 Y609	A540-L562 HydrophobicContact CB-CD1 3.69Å; V543-L562 HydrophobicContact CG2-CD1 3.75Å; L562-M566 HydrophobicContact CD1-CG 3.82Å; L562-M566 HydrophobicContact CG-CG 4.48Å; L562-M566 WeakPolarHBondContact O-CB 3.43Å; L562-M566 WeakPolarHBondContact O-CG 3.34Å; L562-M566 PolarHBondContact O-N 3.43Å; L562-Y609 HydrophobicContact CG-CE1 4.37Å
563	L	83.4	Confident	87.5	Confident	82 Å²	82	37 Å²	37	43%	0.429	20%	0.202	S	C	.	.	H	α-helix	trans	-64.1	-48.6	-179.5	-174.9	69.4	0	0	0	111.9	S561 N567 Y609 Y610	S561-L563 PolarHBondContact O-N 3.12Å; S561-L563 VanDerWaalsContact O-N 3.17Å; L563-N567 WeakPolarHBondContact O-CB 3.18Å; L563-N567 PolarHBondContact O-N 3.25Å; L563-N567 PolarHBondContact O-ND2 3.14Å; L563-N567 VanDerWaalsContact O-ND2 3.14Å; L563-Y609 HydrophobicContact CD1-CD1 4.16Å; L563-Y610 HydrophobicContact CD1-CD2 3.93Å
564	N	86.7	Confident	86.9	Confident	88 Å²	88	36.7 Å²	36.7	47%	0.471	21%	0.205	S	C	.	.	H	α-helix	trans	-70	-44.6	-176.7	-70.5	-6.6	0	0	0	111.5	Q560 S561 M566 N567 K568	Q560-N564 HydrophobicContact CB-CB 4.29Å; S561-N564 PolarHBondContact O-N 3.4Å; S561-N564 VanDerWaalsContact O-N 3.12Å; S561-N564 PolarHBondContact OG-N 2.92Å; N564-M566 PolarHBondContact O-N 2.99Å; N564-N567 PolarHBondContact O-N 2.88Å; N564-K568 WeakPolarHBondContact O-CB 3.47Å; N564-K568 PolarHBondContact O-N 3.03Å
565	G	85.7	Confident	86.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-44.1	177.3	0	0	0	0	0	111.9	V545 S561 K568 F569	V545-G565 WeakPolarHBondContact CG2-O 3.48Å; S561-G565 PolarHBondContact O-N 3.42Å; G565-K568 PolarHBondContact O-N 3.49Å; G565-F569 WeakPolarHBondContact O-CB 3.29Å; G565-F569 PolarHBondContact O-N 3.15Å
566	M	85.4	Confident	85.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-66.6	-38.7	175.6	-71.8	-62.3	-67.7	0	0	112.5	L388 F533 L562 N564 F569 L570 Y609	L388-M566 HydrophobicContact CD1-SD 3.48Å; L388-M566 WeakPolarHBondContact CD1-SD 3.35Å; F533-M566 HydrophobicContact CD1-CE 3.71Å; F533-M566 HydrophobicContact CE1-CE 3.93Å; L562-M566 HydrophobicContact CD1-CG 3.82Å; L562-M566 HydrophobicContact CG-CG 4.48Å; L562-M566 WeakPolarHBondContact O-CB 3.43Å; L562-M566 WeakPolarHBondContact O-CG 3.34Å; L562-M566 PolarHBondContact O-N 3.43Å; N564-M566 PolarHBondContact O-N 2.99Å; M566-F569 PolarHBondContact O-N 3.34Å; M566-L570 HydrophobicContact CE-CD1 4.37Å; M566-L570 HydrophobicContact CE-CG 4.5Å; M566-L570 WeakPolarHBondContact O-CB 3.11Å; M566-L570 WeakPolarHBondContact O-CG 3.39Å; M566-L570 PolarHBondContact O-N 2.85Å; M566-Y609 HydrophobicContact CB-CD1 3.43Å; M566-Y609 VanDerWaalsContact CB-CD1 3.43Å; M566-Y609 HydrophobicContact CB-CD2 4.01Å; M566-Y609 HydrophobicContact CB-CE1 3.75Å; M566-Y609 HydrophobicContact CB-CE2 4.32Å; M566-Y609 HydrophobicContact CB-CG 3.57Å; M566-Y609 HydrophobicContact CE-CD2 4.04Å; M566-Y609 HydrophobicContact CE-CE2 3.64Å; M566-Y609 HydrophobicContact CG-CD1 3.95Å; M566-Y609 HydrophobicContact CG-CE1 3.69Å; M566-Y609 HydrophobicContact CG-CE2 4.31Å; M566-Y609 HydrophobicContact CG-CG 4.35Å
567	N	86.2	Confident	84.6	Confident	21 Å²	21	36.2 Å²	36.2	11%	0.112	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-45.1	174.7	-80	-31.6	0	0	0	111.9	L563 N564 G571 F608 Y609	L563-N567 WeakPolarHBondContact O-CB 3.18Å; L563-N567 PolarHBondContact O-N 3.25Å; L563-N567 PolarHBondContact O-ND2 3.14Å; L563-N567 VanDerWaalsContact O-ND2 3.14Å; N564-N567 PolarHBondContact O-N 2.88Å; N567-G571 PolarHBondContact O-N 3.06Å; N567-F608 PolarHBondContact OD1-N 2.81Å; N567-Y609 WeakPolarHBondContact OD1-CA 3.43Å; N567-Y609 VanDerWaalsContact OD1-CB 3.23Å; N567-Y609 WeakPolarHBondContact OD1-CB 3.38Å; N567-Y609 PolarHBondContact OD1-N 3.44Å
568	K	87.1	Confident	83.9	Confident	80 Å²	80	38.6 Å²	38.6	35%	0.348	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-46.8	177	-172.9	176.3	179.8	-177	0	110.9	V545 N564 G565 G571 L572	V545-K568 HydrophobicContact CB-CD 4.43Å; V545-K568 HydrophobicContact CG1-CG 4.41Å; V545-K568 HydrophobicContact CG2-CB 4.45Å; N564-K568 WeakPolarHBondContact O-CB 3.47Å; N564-K568 PolarHBondContact O-N 3.03Å; G565-K568 PolarHBondContact O-N 3.49Å; K568-G571 PolarHBondContact O-N 2.72Å; K568-L572 WeakPolarHBondContact O-CG 2.91Å; K568-L572 PolarHBondContact O-N 3.15Å; K568-L572 VanDerWaalsContact O-N 3.15Å
569	F	86.2	Confident	83.1	Confident	9 Å²	9	40 Å²	40	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-45.2	178.9	-179.3	-113.9	0	0	0	112.8	V259 L388 F533 V545 G565 M566 L572 L573	V259-F569 HydrophobicContact CB-CE1 4.47Å; V259-F569 HydrophobicContact CB-CZ 4.08Å; V259-F569 HydrophobicContact CG1-CE1 4.33Å; V259-F569 HydrophobicContact CG1-CZ 4.32Å; V259-F569 HydrophobicContact CG2-CE1 4.19Å; V259-F569 HydrophobicContact CG2-CZ 3.98Å; L388-F569 HydrophobicContact CB-CD2 4.16Å; L388-F569 HydrophobicContact CB-CE2 4.29Å; L388-F569 HydrophobicContact CB-CG 4.3Å; L388-F569 HydrophobicContact CD1-CD1 4.16Å; L388-F569 HydrophobicContact CD1-CG 4.38Å; F533-F569 AromaticContact CE1-CD1 3.97Å; F533-F569 HydrophobicContact CE1-CD1 3.97Å; F533-F569 AromaticContact CE1-CE1 3.58Å; F533-F569 HydrophobicContact CE1-CE1 3.58Å; F533-F569 AromaticContact CZ-CE1 3.84Å; F533-F569 HydrophobicContact CZ-CE1 3.84Å; V545-F569 HydrophobicContact CG1-CB 4.07Å; V545-F569 HydrophobicContact CG1-CD2 4.25Å; V545-F569 HydrophobicContact CG2-CB 4.19Å; G565-F569 WeakPolarHBondContact O-CB 3.29Å; G565-F569 PolarHBondContact O-N 3.15Å; M566-F569 PolarHBondContact O-N 3.34Å; F569-L572 WeakPolarHBondContact O-CB 3.33Å; F569-L572 PolarHBondContact O-N 3.23Å; F569-L573 HydrophobicContact CD1-CD1 4.05Å; F569-L573 HydrophobicContact CE1-CD1 3.55Å; F569-L573 HydrophobicContact CE2-CD1 4.08Å; F569-L573 HydrophobicContact CZ-CD1 3.57Å; F569-L573 WeakPolarHBondContact O-CG 3.45Å; F569-L573 PolarHBondContact O-N 3.01Å
570	L	84.6	Confident	82.2	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.5	-31.2	179.8	-69.5	177.3	0	0	0	112.9	F533 M566 L572 L573 D574 I575 F577 F608 Y609	F533-L570 HydrophobicContact CE1-CD2 3.69Å; F533-L570 HydrophobicContact CZ-CD2 3.82Å; M566-L570 HydrophobicContact CE-CD1 4.37Å; M566-L570 HydrophobicContact CE-CG 4.5Å; M566-L570 WeakPolarHBondContact O-CB 3.11Å; M566-L570 WeakPolarHBondContact O-CG 3.39Å; M566-L570 PolarHBondContact O-N 2.85Å; L570-L572 VanDerWaalsContact C-N 3.34Å; L570-L573 PolarHBondContact O-N 3.39Å; L570-D574 PolarHBondContact O-N 3.3Å; L570-D574 VanDerWaalsContact O-N 3.13Å; L570-I575 PolarHBondContact O-N 3.04Å; L570-F577 HydrophobicContact CD1-CB 4.42Å; L570-F577 HydrophobicContact CD1-CD2 3.63Å; L570-F577 HydrophobicContact CD1-CE2 4.35Å; L570-F577 HydrophobicContact CD1-CG 4.4Å; L570-F577 HydrophobicContact CD2-CD2 3.5Å; L570-F577 HydrophobicContact CD2-CE2 3.39Å; L570-F577 HydrophobicContact CG-CD2 4.23Å; L570-F608 HydrophobicContact CB-CB 3.66Å; L570-F608 HydrophobicContact CD1-CB 4.47Å; L570-Y609 HydrophobicContact CD1-CD2 3.65Å; L570-Y609 HydrophobicContact CD1-CG 4.18Å
571	G	82.3	Confident	81.4	Confident	21 Å²	21	41.6 Å²	41.6	22%	0.216	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-39.6	170.7	0	0	0	0	0	112.2	N567 K568 L573 D574	N567-G571 PolarHBondContact O-N 3.06Å; K568-G571 PolarHBondContact O-N 2.72Å; G571-L573 PolarHBondContact O-N 3.05Å; G571-D574 PolarHBondContact O-N 3.42Å
572	L	82.9	Confident	80.7	Confident	90 Å²	90	44.2 Å²	44.2	47%	0.471	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-22.6	174.9	-69.5	170.9	0	0	0	113.6	V545 K568 F569 L570	V545-L572 HydrophobicContact CG1-CD1 4.09Å; K568-L572 WeakPolarHBondContact O-CG 2.91Å; K568-L572 PolarHBondContact O-N 3.15Å; K568-L572 VanDerWaalsContact O-N 3.15Å; F569-L572 WeakPolarHBondContact O-CB 3.33Å; F569-L572 PolarHBondContact O-N 3.23Å; L570-L572 VanDerWaalsContact C-N 3.34Å
573	L	78.5	Confident	80	Confident	21 Å²	21	43.2 Å²	43.2	11%	0.11	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-0.9	-177.8	-57.7	168.7	0	0	0	113.4	V259 K260 F533 F569 L570 G571 I575	V259-L573 HydrophobicContact CB-CD1 4.25Å; V259-L573 HydrophobicContact CG1-CD1 3.42Å; V259-L573 VanDerWaalsContact CG1-CD1 3.42Å; K260-L573 HydrophobicContact CB-CD2 3.74Å; K260-L573 HydrophobicContact CD-CD2 4.25Å; K260-L573 HydrophobicContact CG-CD2 4.24Å; F533-L573 HydrophobicContact CZ-CD1 4.43Å; F569-L573 HydrophobicContact CD1-CD1 4.05Å; F569-L573 HydrophobicContact CE1-CD1 3.55Å; F569-L573 HydrophobicContact CE2-CD1 4.08Å; F569-L573 HydrophobicContact CZ-CD1 3.57Å; F569-L573 WeakPolarHBondContact O-CG 3.45Å; F569-L573 PolarHBondContact O-N 3.01Å; L570-L573 PolarHBondContact O-N 3.39Å; G571-L573 PolarHBondContact O-N 3.05Å; L573-I575 HydrophobicContact CB-CD1 3.67Å; L573-I575 VanDerWaalsContact O-CD1 3.22Å; L573-I575 WeakPolarHBondContact O-CD1 3.46Å; L573-I575 WeakPolarHBondContact O-CG1 3.31Å; L573-I575 PolarHBondContact O-N 3.24Å
574	D	77	Confident	79.5	Confident	108 Å²	108	42 Å²	42	58%	0.578	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	35.9	-175.5	-69.5	-45.5	0	0	0	114.6	L570 G571	L570-D574 PolarHBondContact O-N 3.3Å; L570-D574 VanDerWaalsContact O-N 3.13Å; G571-D574 PolarHBondContact O-N 3.42Å
575	I	75.6	Confident	79.1	Confident	24 Å²	24	38 Å²	38	12%	0.123	20%	0.196	C	C	.	.			trans	-122.9	146.3	-178.6	-64.5	139.4	0	0	0	110.8	L263 L570 L573 F577 I588	L263-I575 HydrophobicContact CD1-CD1 3.04Å; L263-I575 HydrophobicContact CD1-CG1 4.06Å; L263-I575 HydrophobicContact CG-CD1 4.46Å; L570-I575 PolarHBondContact O-N 3.04Å; L573-I575 HydrophobicContact CB-CD1 3.67Å; L573-I575 VanDerWaalsContact O-CD1 3.22Å; L573-I575 WeakPolarHBondContact O-CD1 3.46Å; L573-I575 WeakPolarHBondContact O-CG1 3.31Å; L573-I575 PolarHBondContact O-N 3.24Å; I575-F577 HydrophobicContact CG2-CD2 4.28Å; I575-F577 HydrophobicContact CG2-CE2 4.08Å; I575-I588 HydrophobicContact CG2-CG2 3.87Å
576	T	77.6	Confident	78.7	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.067	20%	0.198	C	C	.	.			trans	-116.8	142.4	175.5	55.2	0	0	0	0	111.2	N589 F608	T576-N589 PolarHBondContact O-N 2.9Å; T576-N589 PolarHBondContact O-ND2 3.43Å; T576-N589 PolarHBondContact OG1-ND2 3.16Å; T576-F608 HydrophobicContact CG2-CD1 4.06Å
577	F	76.4	Confident	78.3	Confident	9 Å²	9	40.4 Å²	40.4	4%	0.039	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147	175.3	-83.3	-98.6	0	0	0	111.7	F533 L570 I575 P586 R587 I588 F608 Y609	F533-F577 HydrophobicContact CB-CZ 4.41Å; F533-F577 HydrophobicContact CD1-CE2 4.3Å; F533-F577 HydrophobicContact CD1-CZ 4.03Å; F533-F577 HydrophobicContact CD2-CE1 4.38Å; F533-F577 HydrophobicContact CD2-CE2 4.33Å; F533-F577 AromaticContact CD2-CZ 3.55Å; F533-F577 HydrophobicContact CD2-CZ 3.55Å; F533-F577 AromaticContact CE1-CE2 3.91Å; F533-F577 HydrophobicContact CE1-CE2 3.91Å; F533-F577 HydrophobicContact CE1-CZ 4.02Å; F533-F577 AromaticContact CE2-CE2 3.92Å; F533-F577 HydrophobicContact CE2-CE2 3.92Å; F533-F577 AromaticContact CE2-CZ 3.52Å; F533-F577 HydrophobicContact CE2-CZ 3.52Å; F533-F577 HydrophobicContact CG-CE1 4.37Å; F533-F577 HydrophobicContact CG-CE2 4.46Å; F533-F577 AromaticContact CG-CZ 3.76Å; F533-F577 HydrophobicContact CG-CZ 3.76Å; F533-F577 AromaticContact CZ-CE2 3.66Å; F533-F577 HydrophobicContact CZ-CE2 3.66Å; F533-F577 AromaticContact CZ-CZ 3.73Å; F533-F577 HydrophobicContact CZ-CZ 3.73Å; L570-F577 HydrophobicContact CD1-CB 4.42Å; L570-F577 HydrophobicContact CD1-CD2 3.63Å; L570-F577 HydrophobicContact CD1-CE2 4.35Å; L570-F577 HydrophobicContact CD1-CG 4.4Å; L570-F577 HydrophobicContact CD2-CD2 3.5Å; L570-F577 HydrophobicContact CD2-CE2 3.39Å; L570-F577 HydrophobicContact CG-CD2 4.23Å; I575-F577 HydrophobicContact CG2-CD2 4.28Å; I575-F577 HydrophobicContact CG2-CE2 4.08Å; F577-P586 HydrophobicContact CD1-CB 3.77Å; F577-P586 HydrophobicContact CE1-CB 4.18Å; F577-R587 CarbonylContact C-O 3.58Å; F577-R587 WeakPolarHBondContact CA-O 3.42Å; F577-I588 HydrophobicContact CD1-CG1 4.01Å; F577-I588 HydrophobicContact CE1-CB 4.44Å; F577-I588 HydrophobicContact CE1-CD1 4.13Å; F577-I588 HydrophobicContact CE1-CG1 3.28Å; F577-I588 HydrophobicContact CE2-CG1 4.03Å; F577-I588 HydrophobicContact CZ-CD1 3.8Å; F577-I588 HydrophobicContact CZ-CG1 3.31Å; F577-F608 PolarHBondContact N-O 3.15Å; F577-Y609 HydrophobicContact CB-CD2 4.33Å
578	R	77	Confident	78	Confident	52 Å²	52	39.6 Å²	39.6	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.8	169.7	64.5	-176	170	-175	-2.4	110.4	P586 R587 N589	R578-P586 CarbonylContact O-C 3.56Å; R578-R587 HydrophobicContact CG-CB 3.84Å; R578-R587 HydrophobicContact CG-CG 4.42Å; R578-R587 PolarHBondContact N-O 3.12Å; R578-R587 VanDerWaalsContact NH2-NH1 3.13Å; R578-R587 PolarHBondContact O-N 2.93Å; R578-N589 VanDerWaalsContact CD-OD1 3.28Å; R578-N589 WeakPolarHBondContact CD-OD1 3.3Å; R578-N589 PolarHBondContact NE-OD1 3.05Å
579	R	75.7	Confident	77.5	Confident	72 Å²	72	36.5 Å²	36.5	27%	0.272	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.5	168.2	-80.2	-179.2	169.4	162.5	10.6	110.1	R585 Y610	R579-R585 WeakPolarHBondContact CA-O 3.24Å; R579-Y610 HydrophobicContact CG-CD1 3.68Å; R579-Y610 HydrophobicContact CG-CE1 3.55Å; R579-Y610 VanDerWaalsContact CZ-CZ 3.46Å; R579-Y610 VanDerWaalsContact NH2-CE1 3.31Å; R579-Y610 PolarHBondContact NH2-OH 3.44Å
580	D	74.9	Confident	76.9	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.043	20%	0.2	C	C	.	.			trans	-71.8	134	163	-169.6	-82.6	0	0	0	109.1	R316 N582 N583 F584 R585	R316-D580 IonicContact CZ-OD2 3.71Å; R316-D580 IonicContact NE-OD2 3.61Å; R316-D580 PolarHBondContact NE-OD2 2.88Å; R316-D580 IonicContact NH2-OD1 3.15Å; R316-D580 IonicContact NH2-OD2 2.84Å; R316-D580 PolarHBondContact NH2-OD2 3.13Å; D580-N582 PolarHBondContact O-N 3.31Å; D580-N582 WeakPolarHBondContact OD1-CB 3.35Å; D580-N582 PolarHBondContact OD1-N 2.81Å; D580-N583 WeakPolarHBondContact CB-OD1 3.4Å; D580-F584 VanDerWaalsContact O-CA 3.27Å; D580-F584 WeakPolarHBondContact O-CA 3.41Å; D580-F584 PolarHBondContact O-N 3.38Å; D580-R585 PolarHBondContact N-O 2.84Å
581	P	72.5	Confident	75.9	Confident	87 Å²	87	44.2 Å²	44.2	57%	0.565	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.6	-175.6	26.4	-36.2	0	0	0	114
582	N	72.9	Confident	74.8	Confident	112 Å²	112	50.7 Å²	50.7	60%	0.599	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-45.4	-173	-63.4	-1.7	0	0	0	112.2	D580	D580-N582 PolarHBondContact O-N 3.31Å; D580-N582 WeakPolarHBondContact OD1-CB 3.35Å; D580-N582 PolarHBondContact OD1-N 2.81Å
583	N	72.6	Confident	73.5	Confident	12 Å²	12	48.3 Å²	48.3	6%	0.064	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	4.5	-173	59	17.1	0	0	0	114.1	N320 L323 D580 R585	N320-N583 PolarHBondContact OD1-ND2 3Å; L323-N583 WeakPolarHBondContact CD1-ND2 3.35Å; D580-N583 WeakPolarHBondContact CB-OD1 3.4Å; N583-R585 PolarHBondContact O-N 3.28Å; N583-R585 VanDerWaalsContact O-N 3.11Å; N583-R585 VanDerWaalsContact OD1-CB 3.22Å; N583-R585 WeakPolarHBondContact OD1-CB 3.49Å; N583-R585 PolarHBondContact OD1-N 3.4Å; N583-R585 VanDerWaalsContact OD1-N 3.16Å
584	F	71.4	Confident	72.2	Confident	56 Å²	56	52.8 Å²	52.8	25%	0.246	28%	0.275	C	S	.	.			trans	60.2	15.7	-179.7	-58.4	-90.6	0	0	0	114.7	K342 D580 F613	K342-F584 HydrophobicContact CD-CE2 4.47Å; K342-F584 HydrophobicContact CG-CD2 3.77Å; K342-F584 HydrophobicContact CG-CE2 4.12Å; K342-F584 HydrophobicContact CG-CG 4.46Å; D580-F584 VanDerWaalsContact O-CA 3.27Å; D580-F584 WeakPolarHBondContact O-CA 3.41Å; D580-F584 PolarHBondContact O-N 3.38Å; F584-F613 HydrophobicContact CE1-CE2 4.34Å
585	R	79.1	Confident	70.9	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.015	27%	0.273	C	S	.	.			trans	-64.6	138.5	178.7	-169.2	-170	104.8	-152.5	16.4	111	L286 F341 R579 D580 N583	L286-R585 PolarHBondContact O-NH2 3.12Å; L286-R585 VanDerWaalsContact O-NH2 3.17Å; F341-R585 HydrophobicContact CD2-CB 3.63Å; F341-R585 HydrophobicContact CD2-CG 3.85Å; F341-R585 HydrophobicContact CE2-CB 3.89Å; F341-R585 HydrophobicContact CE2-CG 3.66Å; F341-R585 HydrophobicContact CZ-CG 4.41Å; R579-R585 WeakPolarHBondContact CA-O 3.24Å; D580-R585 PolarHBondContact N-O 2.84Å; N583-R585 PolarHBondContact O-N 3.28Å; N583-R585 VanDerWaalsContact O-N 3.11Å; N583-R585 VanDerWaalsContact OD1-CB 3.22Å; N583-R585 WeakPolarHBondContact OD1-CB 3.49Å; N583-R585 PolarHBondContact OD1-N 3.4Å; N583-R585 VanDerWaalsContact OD1-N 3.16Å
586	P	76.3	Confident	69.5	Low	7 Å²	7	53.6 Å²	53.6	5%	0.045	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	134.1	167.5	28.4	-34	0	0	0	110.8	I534 F577 R578	I534-P586 HydrophobicContact CG1-CG 4.1Å; F577-P586 HydrophobicContact CD1-CB 3.77Å; F577-P586 HydrophobicContact CE1-CB 4.18Å; R578-P586 CarbonylContact O-C 3.56Å
587	R	78.3	Confident	67.7	Low	45 Å²	45	56.9 Å²	56.9	17%	0.17	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.4	-178.2	-171.4	177	176.4	-177.7	9.1	110.3	D290 F577 R578	D290-R587 VanDerWaalsContact CG-NE 3.34Å; D290-R587 IonicContact OD1-CZ 2.91Å; D290-R587 VanDerWaalsContact OD1-CZ 3.27Å; D290-R587 IonicContact OD1-NE 2.94Å; D290-R587 PolarHBondContact OD1-NE 3.49Å; D290-R587 IonicContact OD1-NH2 3.31Å; D290-R587 PolarHBondContact OD1-NH2 3.32Å; D290-R587 WeakPolarHBondContact OD2-CD 3.5Å; D290-R587 WeakPolarHBondContact OD2-CG 3.41Å; D290-R587 IonicContact OD2-CZ 3.88Å; D290-R587 IonicContact OD2-NE 3.38Å; D290-R587 PolarHBondContact OD2-NE 2.81Å; D290-R587 IonicContact OD2-NH2 2.72Å; F577-R587 CarbonylContact C-O 3.58Å; F577-R587 WeakPolarHBondContact CA-O 3.42Å; R578-R587 HydrophobicContact CG-CB 3.84Å; R578-R587 HydrophobicContact CG-CG 4.42Å; R578-R587 PolarHBondContact N-O 3.12Å; R578-R587 VanDerWaalsContact NH2-NH1 3.13Å; R578-R587 PolarHBondContact O-N 2.93Å
588	I	79.5	Confident	65.9	Low	4 Å²	4	66.1 Å²	66.1	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	137.1	178.1	-60.7	178.6	0	0	0	109.4	L263 Y291 I575 F577	L263-I588 HydrophobicContact CD2-CD1 4Å; Y291-I588 HydrophobicContact CD2-CG2 4.12Å; I575-I588 HydrophobicContact CG2-CG2 3.87Å; F577-I588 HydrophobicContact CD1-CG1 4.01Å; F577-I588 HydrophobicContact CE1-CB 4.44Å; F577-I588 HydrophobicContact CE1-CD1 4.13Å; F577-I588 HydrophobicContact CE1-CG1 3.28Å; F577-I588 HydrophobicContact CE2-CG1 4.03Å; F577-I588 HydrophobicContact CZ-CD1 3.8Å; F577-I588 HydrophobicContact CZ-CG1 3.31Å
589	N	76	Confident	64.2	Low	14 Å²	14	65.1 Å²	65.1	8%	0.075	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-83.7	128.1	170.4	-69	-42.4	0	0	0	110.2	T576 R578 V596	T576-N589 PolarHBondContact O-N 2.9Å; T576-N589 PolarHBondContact O-ND2 3.43Å; T576-N589 PolarHBondContact OG1-ND2 3.16Å; R578-N589 VanDerWaalsContact CD-OD1 3.28Å; R578-N589 WeakPolarHBondContact CD-OD1 3.3Å; R578-N589 PolarHBondContact NE-OD1 3.05Å; N589-V596 HydrophobicContact CB-CG2 3.89Å
590	K	74	Confident	62.5	Low	66 Å²	66	67 Å²	67	29%	0.287	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-63.1	137.2	172.6	-64.3	-172.4	178.3	-168.7	0	110.1	D290 Y291 D294 S593 V596	D290-K590 WeakPolarHBondContact O-CE 3.03Å; Y291-K590 HydrophobicContact CD2-CG 4.17Å; Y291-K590 HydrophobicContact CE2-CB 4.46Å; Y291-K590 HydrophobicContact CE2-CG 4.38Å; D294-K590 IonicContact OD1-NZ 3.6Å; K590-S593 WeakPolarHBondContact O-CB 3.36Å; K590-S593 PolarHBondContact O-N 3.38Å; K590-V596 WeakPolarHBondContact O-CG2 3.39Å
591	L	64.4	Low	61	Low	106 Å²	106	76.2 Å²	76.2	56%	0.555	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	138.8	174	-64.7	169.3	0	0	0	109.3	S593	L591-S593 VanDerWaalsContact C-N 3.32Å; L591-S593 PolarHBondContact O-N 3.48Å
592	N	57.8	Low	59.4	Low	156 Å²	156	74.9 Å²	74.9	83%	0.834	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	11.7	-178.1	-56.5	-25.6	0	0	0	118
593	S	57.1	Low	58.1	Low	41 Å²	41	73 Å²	73	29%	0.287	35%	0.35	S	S	.	.			trans	-63.3	143.6	170.8	173.1	0	0	0	0	111.2	K590 L591 K595 V596 T597	K590-S593 WeakPolarHBondContact O-CB 3.36Å; K590-S593 PolarHBondContact O-N 3.38Å; L591-S593 VanDerWaalsContact C-N 3.32Å; L591-S593 PolarHBondContact O-N 3.48Å; S593-K595 CarbonylContact O-C 3.53Å; S593-K595 PolarHBondContact O-N 3.46Å; S593-K595 PolarHBondContact OG-N 2.71Å; S593-V596 CarbonylContact O-C 3.58Å; S593-V596 VanDerWaalsContact O-CA 3.27Å; S593-V596 WeakPolarHBondContact O-CA 3.34Å; S593-V596 VanDerWaalsContact O-CB 3.29Å; S593-V596 WeakPolarHBondContact O-CB 3.43Å; S593-V596 PolarHBondContact O-N 2.78Å; S593-T597 PolarHBondContact O-N 2.83Å; S593-T597 PolarHBondContact O-OG1 3.12Å
594	V	50.5	Low	56.7	Low	115 Å²	115	76.2 Å²	76.2	70%	0.697	38%	0.378	S	S	*	.	H	α-helix	trans	-50.7	-28.5	174.4	-179.8	0	0	0	0	112.1	T597 R598	V594-T597 PolarHBondContact O-N 3.44Å; V594-R598 PolarHBondContact O-N 3.32Å
595	K	49.5	Very low	55.6	Low	125 Å²	125	76 Å²	76	54%	0.543	39%	0.386	S	S	.	.	H	α-helix	trans	-72	-35.3	174.6	-65.8	-171.7	179	-173.1	0	112.4	S593 T597 R598 L599	S593-K595 CarbonylContact O-C 3.53Å; S593-K595 PolarHBondContact O-N 3.46Å; S593-K595 PolarHBondContact OG-N 2.71Å; K595-T597 VanDerWaalsContact C-N 3.34Å; K595-R598 PolarHBondContact O-N 3.25Å; K595-L599 VanDerWaalsContact O-CD1 3.27Å; K595-L599 WeakPolarHBondContact O-CD1 3.22Å; K595-L599 WeakPolarHBondContact O-CG 3.26Å; K595-L599 PolarHBondContact O-N 3.03Å
596	V	46.2	Very low	54.4	Low	24 Å²	24	81.4 Å²	81.4	15%	0.145	42%	0.416	C	S	.	.	H	α-helix	trans	-66.4	-36.5	169.2	-177.4	0	0	0	0	110.7	N589 K590 S593 R598 L599 L600	N589-V596 HydrophobicContact CB-CG2 3.89Å; K590-V596 WeakPolarHBondContact O-CG2 3.39Å; S593-V596 CarbonylContact O-C 3.58Å; S593-V596 VanDerWaalsContact O-CA 3.27Å; S593-V596 WeakPolarHBondContact O-CA 3.34Å; S593-V596 VanDerWaalsContact O-CB 3.29Å; S593-V596 WeakPolarHBondContact O-CB 3.43Å; S593-V596 PolarHBondContact O-N 2.78Å; V596-R598 PolarHBondContact O-N 2.88Å; V596-L599 HydrophobicContact CG2-CD1 4.37Å; V596-L599 CarbonylContact O-C 3.35Å; V596-L599 VanDerWaalsContact O-C 3.26Å; V596-L599 VanDerWaalsContact O-CA 3.24Å; V596-L599 WeakPolarHBondContact O-CA 3.45Å; V596-L599 VanDerWaalsContact O-CB 3.28Å; V596-L599 WeakPolarHBondContact O-CB 3.32Å; V596-L599 PolarHBondContact O-N 3.48Å; V596-L600 PolarHBondContact O-N 3.04Å
597	T	40.8	Very low	53.3	Low	80 Å²	80	83.6 Å²	83.6	49%	0.491	43%	0.431	S	S	.	.	H	α-helix	trans	-66.7	-35.4	173.9	-33.4	0	0	0	0	112.4	S593 V594 K595 L599 L600	S593-T597 PolarHBondContact O-N 2.83Å; S593-T597 PolarHBondContact O-OG1 3.12Å; V594-T597 PolarHBondContact O-N 3.44Å; K595-T597 VanDerWaalsContact C-N 3.34Å; T597-L599 VanDerWaalsContact C-N 3.29Å; T597-L600 HydrophobicContact CG2-CD1 4.09Å; T597-L600 WeakPolarHBondContact O-CB 3.38Å; T597-L600 PolarHBondContact O-N 3.05Å
598	R	37.9	Very low	52.1	Low	203 Å²	203	82.4 Å²	82.4	77%	0.766	43%	0.427	S	S	*	.	H	α-helix	trans	-68.8	-26.8	165.8	-88.1	-175.9	175.8	-179.5	-0.9	112.8	V594 K595 V596	V594-R598 PolarHBondContact O-N 3.32Å; K595-R598 PolarHBondContact O-N 3.25Å; V596-R598 PolarHBondContact O-N 2.88Å
599	L	41.9	Very low	51	Low	30 Å²	30	82.5 Å²	82.5	16%	0.157	43%	0.427	C	S	.	.	H	α-helix	trans	-78.5	-10.7	173.2	-69.3	152.8	0	0	0	113.5	K595 V596 T597 Y601 F602 F603	K595-L599 VanDerWaalsContact O-CD1 3.27Å; K595-L599 WeakPolarHBondContact O-CD1 3.22Å; K595-L599 WeakPolarHBondContact O-CG 3.26Å; K595-L599 PolarHBondContact O-N 3.03Å; V596-L599 HydrophobicContact CG2-CD1 4.37Å; V596-L599 CarbonylContact O-C 3.35Å; V596-L599 VanDerWaalsContact O-C 3.26Å; V596-L599 VanDerWaalsContact O-CA 3.24Å; V596-L599 WeakPolarHBondContact O-CA 3.45Å; V596-L599 VanDerWaalsContact O-CB 3.28Å; V596-L599 WeakPolarHBondContact O-CB 3.32Å; V596-L599 PolarHBondContact O-N 3.48Å; T597-L599 VanDerWaalsContact C-N 3.29Å; L599-Y601 PolarHBondContact O-N 3.28Å; L599-F602 HydrophobicContact CD2-CB 4.2Å; L599-F602 HydrophobicContact CD2-CD2 4.5Å; L599-F602 HydrophobicContact CD2-CG 4.5Å; L599-F602 CarbonylContact O-C 3.54Å; L599-F602 VanDerWaalsContact O-CA 3.3Å; L599-F602 WeakPolarHBondContact O-CA 3.2Å; L599-F602 WeakPolarHBondContact O-CB 3.25Å; L599-F602 PolarHBondContact O-N 3.34Å; L599-F603 PolarHBondContact O-N 2.96Å
600	L	39.8	Very low	50.1	Low	112 Å²	112	84.6 Å²	84.6	59%	0.586	43%	0.434	S	S	*	.	H	α-helix	trans	-60	-31.3	171.5	-88.8	159.6	0	0	0	111.7	V596 T597 F602	V596-L600 PolarHBondContact O-N 3.04Å; T597-L600 HydrophobicContact CG2-CD1 4.09Å; T597-L600 WeakPolarHBondContact O-CB 3.38Å; T597-L600 PolarHBondContact O-N 3.05Å; L600-F602 PolarHBondContact O-N 3.5Å
601	Y	41.7	Very low	48.5	Very low	202 Å²	202	85.2 Å²	85.2	79%	0.792	44%	0.435	S	S	*	.	H	α-helix	trans	-66.5	-19.7	168.9	-83	-85.7	0	0	0	113.6	L599	L599-Y601 PolarHBondContact O-N 3.28Å
602	F	39.8	Very low	46.9	Very low	59 Å²	59	84.3 Å²	84.3	26%	0.259	44%	0.437	S	S	.	.	H	α-helix	trans	-103.3	-18.7	-176.2	-76.1	-86.1	0	0	0	114.3	L599 L600 A604 A605 N606 Y611	L599-F602 HydrophobicContact CD2-CB 4.2Å; L599-F602 HydrophobicContact CD2-CD2 4.5Å; L599-F602 HydrophobicContact CD2-CG 4.5Å; L599-F602 CarbonylContact O-C 3.54Å; L599-F602 VanDerWaalsContact O-CA 3.3Å; L599-F602 WeakPolarHBondContact O-CA 3.2Å; L599-F602 WeakPolarHBondContact O-CB 3.25Å; L599-F602 PolarHBondContact O-N 3.34Å; L600-F602 PolarHBondContact O-N 3.5Å; F602-A604 PolarHBondContact O-N 3.35Å; F602-A605 HydrophobicContact CD1-CB 4.22Å; F602-A605 CarbonylContact O-C 3.59Å; F602-A605 WeakPolarHBondContact O-CA 3.25Å; F602-A605 PolarHBondContact O-N 3.07Å; F602-N606 PolarHBondContact O-N 3.05Å; F602-Y611 HydrophobicContact CD1-CE2 4.27Å; F602-Y611 HydrophobicContact CE1-CD2 4.48Å; F602-Y611 HydrophobicContact CE1-CE1 4.07Å; F602-Y611 AromaticContact CE1-CE2 3.76Å; F602-Y611 HydrophobicContact CE1-CE2 3.76Å; F602-Y611 AromaticContact CE1-CZ 3.51Å; F602-Y611 HydrophobicContact CZ-CE1 4.02Å; F602-Y611 AromaticContact CZ-CZ 3.92Å
603	F	45.2	Very low	45.5	Very low	73 Å²	73	83.4 Å²	83.4	32%	0.32	43%	0.426	S	S	.	.	H	α-helix	trans	-53	-33.1	160.9	-90.3	-87.1	0	0	0	110.2	L599 A605 F608	L599-F603 PolarHBondContact O-N 2.96Å; F603-A605 VanDerWaalsContact C-N 3.27Å; F603-A605 PolarHBondContact O-N 3.12Å; F603-F608 AromaticContact CD1-CE1 3.85Å; F603-F608 HydrophobicContact CD1-CE1 3.85Å; F603-F608 HydrophobicContact CD1-CZ 4.15Å; F603-F608 AromaticContact CE1-CE1 3.72Å; F603-F608 HydrophobicContact CE1-CE1 3.72Å; F603-F608 HydrophobicContact CE1-CZ 4.38Å; F603-F608 HydrophobicContact CZ-CE1 4.41Å
604	A	43.5	Very low	44.2	Very low	78 Å²	78	86.3 Å²	86.3	65%	0.645	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.9	172.1	0	0	0	0	0	115	F602	F602-A604 PolarHBondContact O-N 3.35Å
605	A	47.6	Very low	43.1	Very low	51 Å²	51	89.8 Å²	89.8	42%	0.421	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	6.5	-176.1	0	0	0	0	0	114.2	F602 F603 C607	F602-A605 HydrophobicContact CD1-CB 4.22Å; F602-A605 CarbonylContact O-C 3.59Å; F602-A605 WeakPolarHBondContact O-CA 3.25Å; F602-A605 PolarHBondContact O-N 3.07Å; F603-A605 VanDerWaalsContact C-N 3.27Å; F603-A605 PolarHBondContact O-N 3.12Å; A605-C607 PolarHBondContact O-N 3.14Å; A605-C607 PolarHBondContact O-SG 2.84Å; A605-C607 VanDerWaalsContact O-SG 3.38Å
606	N	53.7	Low	42.2	Very low	119 Å²	119	89.1 Å²	89.1	64%	0.636	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	27.3	177.1	-74.3	-30.4	0	0	0	116	F602	F602-N606 PolarHBondContact O-N 3.05Å
607	C	53.9	Low	41.3	Very low	53 Å²	53	90.4 Å²	90.4	36%	0.358	47%	0.467	S	S	.	.			trans	-107.5	95.5	179.2	-70.2	0	0	0	0	110.9	A605	A605-C607 PolarHBondContact O-N 3.14Å; A605-C607 PolarHBondContact O-SG 2.84Å; A605-C607 VanDerWaalsContact O-SG 3.38Å
608	F	53.9	Low	40.7	Very low	20 Å²	20	90.8 Å²	90.8	9%	0.088	49%	0.487	C	S	.	.			trans	-99.4	-19	-176.9	-63	-88.3	0	0	0	113.6	N567 L570 T576 F577 F603	N567-F608 PolarHBondContact OD1-N 2.81Å; L570-F608 HydrophobicContact CB-CB 3.66Å; L570-F608 HydrophobicContact CD1-CB 4.47Å; T576-F608 HydrophobicContact CG2-CD1 4.06Å; F577-F608 PolarHBondContact N-O 3.15Å; F603-F608 AromaticContact CD1-CE1 3.85Å; F603-F608 HydrophobicContact CD1-CE1 3.85Å; F603-F608 HydrophobicContact CD1-CZ 4.15Å; F603-F608 AromaticContact CE1-CE1 3.72Å; F603-F608 HydrophobicContact CE1-CE1 3.72Å; F603-F608 HydrophobicContact CE1-CZ 4.38Å; F603-F608 HydrophobicContact CZ-CE1 4.41Å
609	Y	56.2	Low	40.1	Very low	5 Å²	5	91.9 Å²	91.9	2%	0.02	49%	0.493	C	S	.	.	S	Bend	trans	-120.5	124.5	-177.8	-161.6	-126.6	0	0	0	110.4	T537 L562 L563 M566 N567 L570 F577	T537-Y609 WeakPolarHBondContact CG2-OH 2.97Å; T537-Y609 PolarHBondContact OG1-OH 3.22Å; L562-Y609 HydrophobicContact CG-CE1 4.37Å; L563-Y609 HydrophobicContact CD1-CD1 4.16Å; M566-Y609 HydrophobicContact CB-CD1 3.43Å; M566-Y609 VanDerWaalsContact CB-CD1 3.43Å; M566-Y609 HydrophobicContact CB-CD2 4.01Å; M566-Y609 HydrophobicContact CB-CE1 3.75Å; M566-Y609 HydrophobicContact CB-CE2 4.32Å; M566-Y609 HydrophobicContact CB-CG 3.57Å; M566-Y609 HydrophobicContact CE-CD2 4.04Å; M566-Y609 HydrophobicContact CE-CE2 3.64Å; M566-Y609 HydrophobicContact CG-CD1 3.95Å; M566-Y609 HydrophobicContact CG-CE1 3.69Å; M566-Y609 HydrophobicContact CG-CE2 4.31Å; M566-Y609 HydrophobicContact CG-CG 4.35Å; N567-Y609 WeakPolarHBondContact OD1-CA 3.43Å; N567-Y609 VanDerWaalsContact OD1-CB 3.23Å; N567-Y609 WeakPolarHBondContact OD1-CB 3.38Å; N567-Y609 PolarHBondContact OD1-N 3.44Å; L570-Y609 HydrophobicContact CD1-CD2 3.65Å; L570-Y609 HydrophobicContact CD1-CG 4.18Å; F577-Y609 HydrophobicContact CB-CD2 4.33Å
610	Y	56.1	Low	39.6	Very low	58 Å²	58	92.3 Å²	92.3	23%	0.227	51%	0.505	C	S	.	.			trans	68.5	99.7	179.5	-60.3	-50.9	0	0	0	118	L563 R579	L563-Y610 HydrophobicContact CD1-CD2 3.93Å; R579-Y610 HydrophobicContact CG-CD1 3.68Å; R579-Y610 HydrophobicContact CG-CE1 3.55Å; R579-Y610 VanDerWaalsContact CZ-CZ 3.46Å; R579-Y610 VanDerWaalsContact NH2-CE1 3.31Å; R579-Y610 PolarHBondContact NH2-OH 3.44Å
611	Y	40.9	Very low	39.3	Very low	79 Å²	79	90.8 Å²	90.8	31%	0.31	51%	0.508	S	S	.	.			trans	-137.6	94.1	156.2	-125.3	-92.5	0	0	0	110.8	F602 I614	F602-Y611 HydrophobicContact CD1-CE2 4.27Å; F602-Y611 HydrophobicContact CE1-CD2 4.48Å; F602-Y611 HydrophobicContact CE1-CE1 4.07Å; F602-Y611 AromaticContact CE1-CE2 3.76Å; F602-Y611 HydrophobicContact CE1-CE2 3.76Å; F602-Y611 AromaticContact CE1-CZ 3.51Å; F602-Y611 HydrophobicContact CZ-CE1 4.02Å; F602-Y611 AromaticContact CZ-CZ 3.92Å; Y611-I614 HydrophobicContact CE1-CB 4.2Å; Y611-I614 HydrophobicContact CE1-CD1 4.44Å; Y611-I614 HydrophobicContact CE2-CD1 4.19Å
612	C	31.8	Very low	38.8	Very low	87 Å²	87	88.4 Å²	88.4	59%	0.588	51%	0.505	S	S	*	.	S	Bend	trans	-162.3	42	162.8	-122.4	0	0	0	0	114
613	F	27.8	Very low	38.4	Very low	138 Å²	138	93.6 Å²	93.6	61%	0.605	53%	0.527	S	S	*	.	S	Bend	trans	-141.7	-18.2	166.2	-105.7	-82.2	0	0	0	115.3	F584 F615 S616 A617	F584-F613 HydrophobicContact CE1-CE2 4.34Å; F613-F615 PolarHBondContact O-N 3.09Å; F613-F615 VanDerWaalsContact O-N 3.13Å; F613-S616 PolarHBondContact O-N 3.12Å; F613-A617 PolarHBondContact O-N 3.01Å
614	I	29.8	Very low	38.1	Very low	101 Å²	101	94 Å²	94	52%	0.518	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.9	-178.6	-62.6	176.1	0	0	0	113.3	Y611	Y611-I614 HydrophobicContact CE1-CB 4.2Å; Y611-I614 HydrophobicContact CE1-CD1 4.44Å; Y611-I614 HydrophobicContact CE2-CD1 4.19Å
615	F	28.1	Very low	37.5	Very low	188 Å²	188	99.7 Å²	99.7	83%	0.825	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-5.5	177	-93.6	-86.4	0	0	0	115.4	F613	F613-F615 PolarHBondContact O-N 3.09Å; F613-F615 VanDerWaalsContact O-N 3.13Å
616	S	29	Very low	36.8	Very low	112 Å²	112	104.5 Å²	104.5	78%	0.783	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	-14.3	-179.8	-83.8	0	0	0	0	114.8	F613	F613-S616 PolarHBondContact O-N 3.12Å
617	A	28	Very low	35.9	Very low	51 Å²	51	105.2 Å²	105.2	42%	0.421	55%	0.554	S	S	.	*	S	Bend	trans	-99.3	117.7	165.7	0	0	0	0	0	108.2	F613 Y619	F613-A617 PolarHBondContact O-N 3.01Å; A617-Y619 PolarHBondContact O-N 2.71Å
618	G	27.8	Very low	34.9	Very low	88 Å²	88	111.2 Å²	111.2	91%	0.907	58%	0.575	S	S	*	*	S	Bend	trans	-64.7	28.8	-179.4	0	0	0	0	0	115.9
619	Y	26.5	Very low	33.9	Very low	225 Å²	225	116.9 Å²	116.9	88%	0.882	61%	0.605	S	S	*	*	S	Bend	trans	-118.9	103.2	177.7	-89.6	-98.2	0	0	0	109	A617	A617-Y619 PolarHBondContact O-N 2.71Å
620	G	30.1	Very low	32.8	Very low	39 Å²	39	120.8 Å²	120.8	40%	0.402	63%	0.633	S	S	.	*	S	Bend	trans	133.9	-9.3	161.7	0	0	0	0	0	118.3	E622 K623 V624	G620-E622 PolarHBondContact O-N 2.86Å; G620-E622 VanDerWaalsContact O-N 3.13Å; G620-K623 PolarHBondContact O-N 3.44Å; G620-V624 PolarHBondContact O-N 3.31Å
621	A	33	Very low	31.5	Very low	81 Å²	81	129.3 Å²	129.3	67%	0.669	67%	0.665	S	S	*	*	H	α-helix	trans	-60.3	-25.6	179.5	0	0	0	0	0	113.4	R625	A621-R625 WeakPolarHBondContact O-CB 3.4Å; A621-R625 PolarHBondContact O-N 3Å
622	E	32.6	Very low	31	Very low	152 Å²	152	136.9 Å²	136.9	71%	0.71	69%	0.693	S	S	*	*	H	α-helix	trans	-76.4	-31.3	173.7	-86	-168.6	139.5	0	0	114.3	G620 K626	G620-E622 PolarHBondContact O-N 2.86Å; G620-E622 VanDerWaalsContact O-N 3.13Å; E622-K626 WeakPolarHBondContact O-CB 3.29Å; E622-K626 WeakPolarHBondContact O-CG 3.33Å; E622-K626 PolarHBondContact O-N 3.35Å
623	K	31.8	Very low	30.9	Very low	167 Å²	167	139.5 Å²	139.5	73%	0.726	70%	0.701	S	S	*	*	H	α-helix	trans	-75.7	-36.3	-178.7	-123.8	176.8	-177.2	179.1	0	111.3	G620 K626 L627	G620-K623 PolarHBondContact O-N 3.44Å; K623-K626 PolarHBondContact O-N 3.28Å; K623-L627 PolarHBondContact O-N 2.94Å; K623-L627 VanDerWaalsContact O-N 3.12Å
624	V	37.2	Very low	31.1	Very low	82 Å²	82	139.5 Å²	139.5	50%	0.497	71%	0.705	S	S	.	*	H	α-helix	trans	-71.7	-35.6	174	-177.5	0	0	0	0	111.3	G620 F628	G620-V624 PolarHBondContact O-N 3.31Å; V624-F628 PolarHBondContact O-N 3.49Å
625	R	30.9	Very low	31.2	Very low	197 Å²	197	142.4 Å²	142.4	74%	0.743	72%	0.72	S	S	*	*	H	α-helix	trans	-66.1	-39	170.5	-98.9	-179.9	166.6	173.7	-4	113	A621 F628 L629	A621-R625 WeakPolarHBondContact O-CB 3.4Å; A621-R625 PolarHBondContact O-N 3Å; R625-F628 PolarHBondContact O-N 3.21Å; R625-L629 PolarHBondContact O-N 2.95Å
626	K	33.8	Very low	31.2	Very low	152 Å²	152	138.9 Å²	138.9	66%	0.661	71%	0.714	S	S	*	*	H	α-helix	trans	-70.9	-32.7	179	-85.1	178.7	174.9	172.4	0	113.7	E622 K623 F628 L629	E622-K626 WeakPolarHBondContact O-CB 3.29Å; E622-K626 WeakPolarHBondContact O-CG 3.33Å; E622-K626 PolarHBondContact O-N 3.35Å; K623-K626 PolarHBondContact O-N 3.28Å; K626-F628 VanDerWaalsContact C-N 3.33Å; K626-L629 PolarHBondContact O-N 3.48Å
627	L	33.7	Very low	31.2	Very low	134 Å²	134	142.5 Å²	142.5	70%	0.702	71%	0.711	S	S	*	*	H	α-helix	trans	-69.7	-29	172.7	-94.5	142.4	0	0	0	112.9	K623 L629	K623-L627 PolarHBondContact O-N 2.94Å; K623-L627 VanDerWaalsContact O-N 3.12Å; L627-L629 VanDerWaalsContact C-N 3.3Å; L627-L629 PolarHBondContact O-N 3.45Å
628	F	33.1	Very low	31.4	Very low	180 Å²	180	147.1 Å²	147.1	79%	0.789	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-10.4	175.9	-105.7	-93.2	0	0	0	114.6	V624 R625 K626	V624-F628 PolarHBondContact O-N 3.49Å; R625-F628 PolarHBondContact O-N 3.21Å; K626-F628 VanDerWaalsContact C-N 3.33Å
629	L	34.5	Very low	31.5	Very low	139 Å²	139	145.8 Å²	145.8	73%	0.728	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-0.7	-178.9	-88.2	152.4	0	0	0	113.8	R625 K626 L627	R625-L629 PolarHBondContact O-N 2.95Å; K626-L629 PolarHBondContact O-N 3.48Å; L627-L629 VanDerWaalsContact C-N 3.3Å; L627-L629 PolarHBondContact O-N 3.45Å
630	S	31.7	Very low	31.7	Very low	86 Å²	86	141.2 Å²	141.2	60%	0.601	71%	0.708	S	S	*	*	S	Bend	trans	-86.1	117.5	176.3	85.9	0	0	0	0	112	R632	S630-R632 VanDerWaalsContact C-N 3.34Å; S630-R632 PolarHBondContact O-N 3.2Å
631	R	29.3	Very low	31.7	Very low	237 Å²	237	144.7 Å²	144.7	89%	0.894	72%	0.717	S	S	*	*	S	Bend	trans	-67.5	60.1	-172	-67.5	175.1	163.3	-173.5	-4.3	115.7
632	R	30.5	Very low	31.6	Very low	239 Å²	239	147.1 Å²	147.1	90%	0.902	72%	0.724	S	S	*	*			trans	-133.6	7.5	177.7	-87.4	-170.8	176.5	-179.8	-0.8	118.1	S630	S630-R632 VanDerWaalsContact C-N 3.34Å; S630-R632 PolarHBondContact O-N 3.2Å
633	L	30.2	Very low	31.4	Very low	142 Å²	142	145.1 Å²	145.1	74%	0.743	73%	0.727	S	S	*	*	S	Bend	trans	-123	17.9	-178.4	-108.3	106.2	0	0	0	116.2
634	I	30.9	Very low	31.3	Very low	137 Å²	137	142.9 Å²	142.9	70%	0.703	73%	0.731	S	S	*	*	S	Bend	trans	-86.3	-3.6	-176	-72	169.4	0	0	0	113.5
635	I	31.5	Very low	31	Very low	162 Å²	162	148.2 Å²	148.2	83%	0.831	74%	0.743	S	S	*	*	S	Bend	trans	-105.3	-6.9	-171.2	-66.3	174.2	0	0	0	114.4
636	V	30	Very low	31	Very low	115 Å²	115	149 Å²	149	70%	0.697	75%	0.752	S	S	*	*	S	Bend	trans	-105.3	-1.5	-177.6	-174.3	0	0	0	0	113.1
637	W	27.3	Very low	30.9	Very low	188 Å²	188	146.1 Å²	146.1	71%	0.712	76%	0.756	S	S	*	*	S	Bend	trans	-102.3	5.4	-172.5	-104	58.6	0	0	0	115.6
638	I	32.3	Very low	31	Very low	148 Å²	148	147.4 Å²	147.4	76%	0.759	76%	0.763	S	S	*	*	S	Bend	trans	-102.6	-5.7	178.9	-65.8	171.3	0	0	0	112.2
639	G	31	Very low	30.8	Very low	60 Å²	60	146.8 Å²	146.8	62%	0.619	77%	0.767	S	S	*	*	S	Bend	trans	-98.6	-11.5	-169.4	0	0	0	0	0	118.2
640	T	30.6	Very low	30.5	Very low	128 Å²	128	144.5 Å²	144.5	79%	0.785	77%	0.767	S	S	*	*	S	Bend	trans	-130.5	14.7	-166.1	29	0	0	0	0	114.8
641	L	28.9	Very low	30.4	Very low	112 Å²	112	146.2 Å²	146.2	59%	0.586	78%	0.776	S	S	*	*	S	Bend	trans	-106.4	13	178.7	-93.9	157.7	0	0	0	114.3
642	T	31.2	Very low	30.4	Very low	132 Å²	132	143.4 Å²	143.4	81%	0.81	78%	0.778	S	S	*	*	S	Bend	trans	-101.8	2.2	-177.7	31.9	0	0	0	0	115.2
643	S	29.6	Very low	30.1	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	78%	0.779	S	S	*	*	S	Bend	trans	-112.9	-12.3	-173.3	-161.5	0	0	0	0	116.4
644	C	29.2	Very low	30	Very low	120 Å²	120	146.1 Å²	146.1	81%	0.811	79%	0.789	S	S	*	*	S	Bend	trans	-120.6	4.9	-174.9	-76.2	0	0	0	0	115.9
645	Y	29.9	Very low	29.9	Very low	195 Å²	195	144.2 Å²	144.2	77%	0.765	79%	0.794	S	S	*	*	S	Bend	trans	-95	12.9	-176.4	-109	-88.2	0	0	0	115.4
646	K	31.5	Very low	29.8	Very low	213 Å²	213	141.1 Å²	141.1	93%	0.926	79%	0.792	S	S	*	*	S	Bend	trans	-108.5	2.8	-173	-98.6	-179.4	177.6	178.7	0	116.6
647	A	32.8	Very low	29.5	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	81%	0.805	S	S	*	*	S	Bend	trans	-117.7	0.6	-168.1	0	0	0	0	0	117.1
648	I	34.6	Very low	29.5	Very low	162 Å²	162	144.1 Å²	144.1	83%	0.831	81%	0.808	S	S	*	*	S	Bend	trans	-127.8	10.9	-170.2	-55.2	177.3	0	0	0	113.3
649	L	29.3	Very low	29.3	Very low	167 Å²	167	143.1 Å²	143.1	87%	0.874	81%	0.808	S	S	*	*			trans	-127.3	61.3	-178.5	-93.5	156.2	0	0	0	112.7
650	A	28.3	Very low	29	Very low	90 Å²	90	146.9 Å²	146.9	74%	0.744	82%	0.819	S	S	*	*			trans	-164.3	94.4	164.6	0	0	0	0	0	107.4
651	P	28.6	Very low	28.8	Very low	122 Å²	122	147 Å²	147	79%	0.792	82%	0.82	S	S	*	*	S	Bend		-153	112.2	73.5	33.9	-11.2	0	0	0	113.9
652	L	29.7	Very low	28.7	Very low	178 Å²	178	146.4 Å²	146.4	93%	0.932	83%	0.825	S	S	*	*			trans	-162	27.2	164	-108	153.8	0	0	0	112.8
653	R	25.6	Very low	28.7	Very low	246 Å²	246	147.4 Å²	147.4	93%	0.928	82%	0.823	S	S	*	*			trans	-101.2	82.5	169.3	-85.3	-178.1	169.2	166.9	-3	108.7
654	M	27.9	Very low	28.4	Very low	193 Å²	193	147.7 Å²	147.7	95%	0.951	83%	0.826	S	S	*	*			trans	170	80.3	159.1	-99.3	176.7	-175.6	0	0	109.7
655	A	28.9	Very low	28.2	Very low	97 Å²	97	153.2 Å²	153.2	80%	0.802	83%	0.83	S	S	*	*	S	Bend	trans	-172.2	112.1	154.6	0	0	0	0	0	110.6
656	A	28.3	Very low	28.2	Very low	96 Å²	96	147.6 Å²	147.6	79%	0.793	83%	0.831	S	S	*	*			trans	58	114.4	159.9	0	0	0	0	0	118.1
657	R	25	Very low	27.8	Very low	258 Å²	258	146.1 Å²	146.1	97%	0.974	83%	0.832	S	S	*	*			cis	50.3	68.8	21.2	-82.5	-164.5	178.8	175.1	-0.3	114.9
658	S	26.8	Very low	27.4	Very low	108 Å²	108	147.1 Å²	147.1	76%	0.755	83%	0.833	S	S	*	*			trans	-170	144.4	145.1	-177.8	0	0	0	0	109
659	V	27.8	Very low	27	Very low	127 Å²	127	146 Å²	146	77%	0.77	83%	0.834	S	S	*	*			trans	84.9	63.2	177.8	-156.2	0	0	0	0	115.9
660	V	25.1	Very low	26.9	Very low	139 Å²	139	143.4 Å²	143.4	84%	0.842	83%	0.829	S	S	*	*			trans	-100.4	99.7	152.7	171.9	0	0	0	0	106.5
661	T	25.3	Very low	26.6	Very low	131 Å²	131	142.2 Å²	142.2	80%	0.804	83%	0.826	S	S	*	*			trans	179.1	63	157.4	14.6	0	0	0	0	112.2
662	S	27.2	Very low	26.4	Very low	100 Å²	100	146.5 Å²	146.5	70%	0.699	84%	0.835	S	S	*	*	S	Bend	trans	175.2	143.6	157.7	42.7	0	0	0	0	108.3
663	I	30.5	Very low	26.2	Very low	152 Å²	152	143.8 Å²	143.8	78%	0.779	83%	0.825	S	S	*	*			trans	93.8	49.7	179.6	-42.6	158.2	0	0	0	113.3	R665	I663-R665 VanDerWaalsContact C-N 3.31Å; I663-R665 PolarHBondContact O-N 2.83Å
664	S	24.2	Very low	26.5	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	82%	0.822	S	S	*	*			trans	-76.8	80.3	147.1	44.2	0	0	0	0	109.3
665	R	25.8	Very low	27.9	Very low	236 Å²	236	135.5 Å²	135.5	89%	0.891	81%	0.812	S	S	*	*	S	Bend	trans	172.8	101.6	163.3	-99.6	165.3	-170.4	-175	4.1	107	I663	I663-R665 VanDerWaalsContact C-N 3.31Å; I663-R665 PolarHBondContact O-N 2.83Å
666	G	28.1	Very low	30	Very low	77 Å²	77	131.9 Å²	131.9	79%	0.794	78%	0.784	S	S	*	*			trans	161.3	-6.4	175.6	0	0	0	0	0	117.4	C668	G666-C668 PolarHBondContact O-N 3.26Å
667	L	23.8	Very low	32.8	Very low	181 Å²	181	130.1 Å²	130.1	95%	0.948	76%	0.759	S	S	*	*			trans	-83	88.8	165.3	-84	98.8	0	0	0	109.5
668	C	24.1	Very low	36	Very low	113 Å²	113	118.9 Å²	118.9	76%	0.764	72%	0.719	S	S	*	*			trans	-125.4	120.6	156.1	-81.6	0	0	0	0	108.9	G666	G666-C668 PolarHBondContact O-N 3.26Å
669	T	26.6	Very low	39.2	Very low	139 Å²	139	113.8 Å²	113.8	85%	0.853	68%	0.684	S	S	*	*			trans	-20.8	137.8	150.4	48	0	0	0	0	114.5
670	S	26.7	Very low	42.3	Very low	112 Å²	112	107.9 Å²	107.9	78%	0.783	65%	0.648	S	S	*	*			trans	-155.7	113	153.6	39.4	0	0	0	0	111.4
671	G	22.2	Very low	45.5	Very low	65 Å²	65	102 Å²	102	67%	0.67	61%	0.613	S	S	*	*			trans	-60.9	157.6	161.1	0	0	0	0	0	110.6	T673	G671-T673 PolarHBondContact O-N 2.91Å
672	H	25.8	Very low	48.6	Very low	212 Å²	212	97.5 Å²	97.5	98%	0.981	59%	0.592	S	S	*	*			trans	-57.8	92.4	176.2	-78.3	-59.6	0	0	0	112
673	T	24.6	Very low	51.6	Low	120 Å²	120	93.9 Å²	93.9	74%	0.736	57%	0.565	S	S	*	*			trans	-83.2	125	155.4	35.7	0	0	0	0	108.1	G671 I675	G671-T673 PolarHBondContact O-N 2.91Å; T673-I675 PolarHBondContact O-N 3.38Å
674	S	31.8	Very low	54.4	Low	122 Å²	122	90.3 Å²	90.3	85%	0.853	55%	0.545	S	S	*	.			trans	-63.7	101.8	-178	51.9	0	0	0	0	111.3	G676	S674-G676 PolarHBondContact O-N 3.46Å
675	I	57.6	Low	57.4	Low	144 Å²	144	84.8 Å²	84.8	74%	0.738	51%	0.506	S	S	*	.			trans	-70.5	112.2	171.9	-60.5	168.2	0	0	0	107.3	T673	T673-I675 PolarHBondContact O-N 3.38Å
676	G	71.9	Confident	59.7	Low	21 Å²	21	76 Å²	76	22%	0.216	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-63.8	153.9	-179.4	0	0	0	0	0	113.6	S674 S709 R711	S674-G676 PolarHBondContact O-N 3.46Å; G676-S709 CarbonylContact C-O 3.6Å; G676-S709 WeakPolarHBondContact CA-O 3.43Å; G676-R711 WeakPolarHBondContact O-CB 3.37Å
677	E	87.9	Confident	62	Low	59 Å²	59	73 Å²	73	28%	0.276	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	141	-172.9	-59.1	-176.3	162.6	0	0	112.2	S709 R711 D819 V820 R854	E677-S709 PolarHBondContact N-O 2.8Å; E677-R711 PolarHBondContact O-N 3.31Å; E677-D819 WeakPolarHBondContact CA-OD2 3.49Å; E677-D819 HydrophobicContact CB-CB 4.17Å; E677-D819 HydrophobicContact CG-CB 4.46Å; E677-V820 VanDerWaalsContact OE2-CG2 3.24Å; E677-V820 WeakPolarHBondContact OE2-CG2 3.15Å; E677-R854 IonicContact OE1-CZ 2.83Å; E677-R854 IonicContact OE1-NH2 3.92Å; E677-R854 PolarHBondContact OE1-NH2 3.47Å; E677-R854 IonicContact OE2-NH2 3.85Å
678	V	92.2	Very high	64.8	Low	22 Å²	22	68.8 Å²	68.8	13%	0.133	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129	170	178.9	0	0	0	0	109.7	Y714 P818 D819 V820	V678-Y714 HydrophobicContact CG1-CD2 3.98Å; V678-Y714 HydrophobicContact CG1-CE2 3.88Å; V678-P818 CarbonylContact O-C 3.55Å; V678-P818 WeakPolarHBondContact O-CA 3.43Å; V678-D819 PolarHBondContact N-OD2 3.17Å; V678-D819 PolarHBondContact O-N 3.31Å; V678-V820 PolarHBondContact O-N 2.92Å
679	V	93	Very high	67.9	Low	1 Å²	1	63.4 Å²	63.4	1%	0.006	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.9	-179.1	-173.3	0	0	0	0	110.2	L704 R712 L713 Y714 V820 P822	V679-L704 HydrophobicContact CG1-CD1 3.88Å; V679-L704 HydrophobicContact CG2-CD1 4.48Å; V679-L704 HydrophobicContact CG2-CD2 4.42Å; V679-R712 PolarHBondContact N-O 3.43Å; V679-L713 HydrophobicContact CB-CD1 3.78Å; V679-L713 HydrophobicContact CG1-CD1 3.67Å; V679-L713 WeakPolarHBondContact O-CA 3.29Å; V679-Y714 PolarHBondContact O-N 3.33Å; V679-V820 WeakPolarHBondContact CA-O 3.2Å; V679-V820 HydrophobicContact CG2-CB 4.4Å; V679-P822 HydrophobicContact CG1-CG 4.11Å
680	M	93.8	Very high	70.8	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.7	173.6	178.3	54.7	-170.7	0	0	110.4	Y714 C716 F756 D812 Y816 P818 V820 V821	M680-Y714 WeakPolarHBondContact SD-CB 3.5Å; M680-Y714 VanDerWaalsContact SD-O 3.37Å; M680-C716 HydrophobicContact CE-CB 3.92Å; M680-C716 VanDerWaalsContact CE-SG 3.57Å; M680-F756 HydrophobicContact CE-CZ 4.28Å; M680-D812 WeakPolarHBondContact CE-O 3.32Å; M680-Y816 HydrophobicContact CE-CD2 3.8Å; M680-Y816 HydrophobicContact CE-CE2 3.73Å; M680-Y816 HydrophobicContact CG-CD2 4.02Å; M680-Y816 HydrophobicContact SD-CD2 3.5Å; M680-Y816 WeakPolarHBondContact SD-CD2 3.23Å; M680-Y816 HydrophobicContact SD-CE2 3.97Å; M680-Y816 HydrophobicContact SD-CG 4.21Å; M680-P818 HydrophobicContact CB-CB 3.8Å; M680-P818 HydrophobicContact CB-CG 3.89Å; M680-V820 PolarHBondContact N-O 3.09Å; M680-V821 WeakPolarHBondContact O-CG1 3.22Å
681	S	93	Very high	73.9	Confident	16 Å²	16	51.8 Å²	51.8	11%	0.112	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	172.2	172.3	-154.1	0	0	0	0	111.4	W701 Y714 L715 C716	S681-W701 WeakPolarHBondContact OG-CZ2 2.9Å; S681-W701 PolarHBondContact OG-NE1 2.86Å; S681-W701 VanDerWaalsContact OG-NE1 3.16Å; S681-Y714 PolarHBondContact N-O 3.01Å; S681-L715 WeakPolarHBondContact O-CA 3.45Å; S681-C716 PolarHBondContact O-N 2.84Å; S681-C716 VanDerWaalsContact O-N 3.07Å
682	G	90.6	Very high	76.9	Confident	36 Å²	36	49.3 Å²	49.3	37%	0.371	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.4	-178.3	0	0	0	0	0	112.8	C716	G682-C716 VanDerWaalsContact CA-O 3.24Å; G682-C716 WeakPolarHBondContact CA-O 3.44Å; G682-C716 VanDerWaalsContact CA-SG 3.53Å
683	I	90.4	Very high	79.7	Confident	23 Å²	23	40.8 Å²	40.8	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	135.1	177.4	-166.3	162	0	0	0	111.1	W701 C716 I717 A718 M739 L743	I683-W701 HydrophobicContact CB-CH2 4.01Å; I683-W701 HydrophobicContact CD1-CH2 4.22Å; I683-W701 HydrophobicContact CD1-CZ3 4.42Å; I683-C716 PolarHBondContact N-O 2.8Å; I683-I717 HydrophobicContact CG2-CD1 3.96Å; I683-A718 PolarHBondContact O-N 2.81Å; I683-M739 HydrophobicContact CD1-CE 4.16Å; I683-M739 HydrophobicContact CD1-SD 3.72Å; I683-M739 HydrophobicContact CG1-CE 4.34Å; I683-M739 HydrophobicContact CG1-SD 4.2Å; I683-M739 HydrophobicContact CG2-CG 3.9Å; I683-M739 HydrophobicContact CG2-SD 4.23Å; I683-L743 HydrophobicContact CG2-CD1 3.94Å
684	Q	88.9	Confident	82.8	Confident	77 Å²	77	36.5 Å²	36.5	36%	0.36	22%	0.215	S	C	.	.			trans	-77.5	130.4	176.9	-69.4	178.1	-13.2	0	0	110.9	S686 A718 H721	Q684-S686 VanDerWaalsContact C-N 3.31Å; Q684-S686 PolarHBondContact O-N 3.47Å; Q684-S686 PolarHBondContact O-OG 2.81Å; Q684-A718 HydrophobicContact CG-CB 4.23Å; Q684-H721 HydrophobicContact CG-CB 4.03Å
685	P	87	Confident	85.4	Confident	1 Å²	1	31 Å²	31	1%	0.006	18%	0.176	C	C	.	.			trans	-74.4	83.3	173	32.5	-35.3	0	0	0	109.9	I717 A718 D719 A722 L732 D735 V736	P685-I717 HydrophobicContact CB-CG2 3.93Å; P685-I717 HydrophobicContact CG-CG2 3.89Å; P685-A718 WeakPolarHBondContact CD-O 3.44Å; P685-D719 HydrophobicContact CG-CB 4.08Å; P685-A722 HydrophobicContact CG-CB 4.12Å; P685-L732 HydrophobicContact CB-CD1 4.47Å; P685-L732 HydrophobicContact CG-CD1 3.82Å; P685-D735 HydrophobicContact CB-CB 4.08Å; P685-V736 HydrophobicContact CB-CG2 3.85Å; P685-V736 HydrophobicContact CG-CG2 3.8Å
686	S	73.2	Confident	86.5	Confident	52 Å²	52	25.8 Å²	25.8	36%	0.364	16%	0.157	S	C	.	.			trans	-116.5	37.9	-173.8	50.5	0	0	0	0	112.3	Q684 K875	Q684-S686 VanDerWaalsContact C-N 3.31Å; Q684-S686 PolarHBondContact O-N 3.47Å; Q684-S686 PolarHBondContact O-OG 2.81Å; S686-K875 VanDerWaalsContact C-NZ 3.27Å; S686-K875 WeakPolarHBondContact O-CD 3.41Å; S686-K875 PolarHBondContact O-NZ 3.34Å; S686-K875 PolarHBondContact OG-NZ 3.14Å
687	G	76.8	Confident	87.1	Confident	15 Å²	15	25.8 Å²	25.8	16%	0.155	16%	0.156	C	C	.	.	S	Bend	trans	91.5	-172.1	-171.9	0	0	0	0	0	115	D735 K875	G687-D735 WeakPolarHBondContact CA-OD1 3.35Å; G687-D735 VanDerWaalsContact N-CG 3.29Å; G687-D735 PolarHBondContact N-OD2 3.4Å; G687-K875 PolarHBondContact O-NZ 2.81Å
688	R	83.7	Confident	87	Confident	91 Å²	91	23 Å²	23	34%	0.343	14%	0.143	S	C	.	.	S	Bend	trans	-56.6	143.5	-173	-69	173.5	67.8	-157.8	-9.3	113.6	K875 Y885 D887 D888	R688-K875 WeakPolarHBondContact O-CE 3.5Å; R688-K875 PolarHBondContact O-NZ 3.16Å; R688-Y885 HydrophobicContact CB-CD1 3.55Å; R688-Y885 HydrophobicContact CB-CE1 3.83Å; R688-Y885 HydrophobicContact CB-CG 4.18Å; R688-D887 IonicContact CZ-OD1 3.69Å; R688-D887 IonicContact CZ-OD2 3.35Å; R688-D887 IonicContact NE-OD1 3.75Å; R688-D887 PolarHBondContact NE-OD1 3.46Å; R688-D887 VanDerWaalsContact NE-OD1 3.15Å; R688-D887 IonicContact NE-OD2 3.54Å; R688-D887 PolarHBondContact NE-OD2 3.29Å; R688-D887 IonicContact NH2-OD1 3.62Å; R688-D887 PolarHBondContact NH2-OD1 2.76Å; R688-D887 IonicContact NH2-OD2 3.68Å; R688-D887 PolarHBondContact NH2-OD2 3.11Å; R688-D888 IonicContact CZ-OD1 2.81Å; R688-D888 IonicContact NH1-OD1 2.86Å; R688-D888 IonicContact NH2-OD1 3.99Å; R688-D888 PolarHBondContact NH2-OD1 3.07Å
689	M	87.2	Confident	86.8	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-77	123	-179.2	-176.5	163.7	70.2	0	0	111.2	N693 Y694 A698 M739 C746 Y885 V886	M689-N693 HydrophobicContact CG-CB 4Å; M689-Y694 HydrophobicContact CE-CD2 4.25Å; M689-A698 HydrophobicContact SD-CB 4.47Å; M689-M739 HydrophobicContact CB-SD 4.49Å; M689-C746 WeakPolarHBondContact CE-SG 3.26Å; M689-Y885 WeakPolarHBondContact O-CA 3.43Å; M689-V886 HydrophobicContact CB-CG2 4.11Å; M689-V886 HydrophobicContact CE-CG1 4.18Å; M689-V886 HydrophobicContact CE-CG2 3.81Å; M689-V886 HydrophobicContact CG-CG1 4.33Å; M689-V886 HydrophobicContact CG-CG2 4.44Å; M689-V886 PolarHBondContact O-N 2.7Å
690	H	89.5	Confident	86.5	Confident	6 Å²	6	23.9 Å²	23.9	3%	0.028	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-96.7	163.2	174.3	61.1	83.8	0	0	0	112.4	G692 N693 Y694 M873 V884 Y885	H690-G692 WeakPolarHBondContact ND1-CA 3.46Å; H690-G692 PolarHBondContact ND1-N 3.06Å; H690-G692 PolarHBondContact O-N 3.09Å; H690-G692 VanDerWaalsContact O-N 3.14Å; H690-N693 PolarHBondContact CD2-ND2 2.86Å; H690-N693 VanDerWaalsContact CE1-CG 3.42Å; H690-N693 PolarHBondContact CE1-OD1 3.42Å; H690-N693 PolarHBondContact ND1-N 3.25Å; H690-N693 VanDerWaalsContact NE2-CG 3.33Å; H690-N693 PolarHBondContact NE2-ND2 2.97Å; H690-N693 PolarHBondContact NE2-OD1 3.45Å; H690-N693 WeakPolarHBondContact O-CB 3.46Å; H690-N693 PolarHBondContact O-N 3.2Å; H690-Y694 PolarHBondContact O-N 3Å; H690-Y694 VanDerWaalsContact O-N 3.12Å; H690-M873 HydrophobicContact CB-SD 4Å; H690-M873 PolarHBondContact CE1-O 3.43Å; H690-M873 PolarHBondContact ND1-SD 3.21Å; H690-V884 CarbonylContact C-O 3.58Å; H690-V884 WeakPolarHBondContact CA-O 3.42Å; H690-V884 VanDerWaalsContact CB-O 3.23Å; H690-V884 WeakPolarHBondContact CB-O 3.28Å; H690-Y885 HydrophobicContact CB-CD1 4.06Å; H690-Y885 HydrophobicContact CB-CE1 4.3Å
691	I	89.8	Confident	86.3	Confident	1 Å²	1	24 Å²	24	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-56.2	-33.3	-177.4	62.3	170.7	0	0	0	113	N693 Y694 F695 M873 V884 I924 F960	I691-N693 VanDerWaalsContact C-N 3.32Å; I691-N693 PolarHBondContact O-N 2.9Å; I691-Y694 PolarHBondContact O-N 2.87Å; I691-F695 HydrophobicContact CB-CD2 4.07Å; I691-F695 HydrophobicContact CB-CE2 4.02Å; I691-F695 VanDerWaalsContact O-CD2 3.23Å; I691-F695 WeakPolarHBondContact O-CD2 3.26Å; I691-F695 PolarHBondContact O-N 2.84Å; I691-M873 HydrophobicContact CD1-CE 4Å; I691-M873 HydrophobicContact CG1-CE 3.81Å; I691-M873 HydrophobicContact CG1-SD 3.69Å; I691-V884 HydrophobicContact CD1-CB 4.01Å; I691-V884 HydrophobicContact CD1-CG2 4.34Å; I691-V884 HydrophobicContact CG1-CB 4.16Å; I691-V884 HydrophobicContact CG2-CB 4.05Å; I691-V884 HydrophobicContact CG2-CG1 4.04Å; I691-V884 PolarHBondContact N-O 3.46Å; I691-I924 HydrophobicContact CD1-CD1 4.16Å; I691-I924 HydrophobicContact CD1-CG2 3.95Å; I691-F960 HydrophobicContact CB-CE2 4.44Å; I691-F960 HydrophobicContact CB-CZ 4.43Å; I691-F960 HydrophobicContact CG2-CD2 4.28Å; I691-F960 HydrophobicContact CG2-CE2 3.46Å; I691-F960 VanDerWaalsContact CG2-CE2 3.46Å; I691-F960 HydrophobicContact CG2-CZ 3.77Å
692	G	85.4	Confident	86.1	Confident	12 Å²	12	25.7 Å²	25.7	12%	0.124	16%	0.155	C	C	.	.	H	α-helix	trans	-60.5	-36.4	173.9	0	0	0	0	0	114.1	H690 G696	H690-G692 WeakPolarHBondContact ND1-CA 3.46Å; H690-G692 PolarHBondContact ND1-N 3.06Å; H690-G692 PolarHBondContact O-N 3.09Å; H690-G692 VanDerWaalsContact O-N 3.14Å; G692-G696 PolarHBondContact O-N 2.72Å; G692-G696 VanDerWaalsContact O-N 3.15Å
693	N	85.7	Confident	85.9	Confident	33 Å²	33	30 Å²	30	18%	0.176	16%	0.16	C	C	.	.	H	α-helix	trans	-76.7	-36.5	174.5	-66.4	-16.5	0	0	0	111.2	M689 H690 I691 A697 A698	M689-N693 HydrophobicContact CG-CB 4Å; H690-N693 PolarHBondContact CD2-ND2 2.86Å; H690-N693 VanDerWaalsContact CE1-CG 3.42Å; H690-N693 PolarHBondContact CE1-OD1 3.42Å; H690-N693 PolarHBondContact ND1-N 3.25Å; H690-N693 VanDerWaalsContact NE2-CG 3.33Å; H690-N693 PolarHBondContact NE2-ND2 2.97Å; H690-N693 PolarHBondContact NE2-OD1 3.45Å; H690-N693 WeakPolarHBondContact O-CB 3.46Å; H690-N693 PolarHBondContact O-N 3.2Å; I691-N693 VanDerWaalsContact C-N 3.32Å; I691-N693 PolarHBondContact O-N 2.9Å; N693-A697 WeakPolarHBondContact O-CB 3.4Å; N693-A697 PolarHBondContact O-N 2.88Å; N693-A698 PolarHBondContact O-N 3.39Å
694	Y	88.6	Confident	85.8	Confident	30 Å²	30	29.7 Å²	29.7	12%	0.118	16%	0.158	C	C	.	.	I	π-helix	trans	-62.8	-58	177.6	178.9	-95.1	0	0	0	111.6	M689 H690 I691 G696 A697 A698 S699 C746 V886 F960	M689-Y694 HydrophobicContact CE-CD2 4.25Å; H690-Y694 PolarHBondContact O-N 3Å; H690-Y694 VanDerWaalsContact O-N 3.12Å; I691-Y694 PolarHBondContact O-N 2.87Å; Y694-G696 VanDerWaalsContact C-N 3.33Å; Y694-G696 PolarHBondContact O-N 3.1Å; Y694-A697 PolarHBondContact O-N 2.84Å; Y694-A698 HydrophobicContact CD2-CB 3.93Å; Y694-A698 HydrophobicContact CE2-CB 4.48Å; Y694-A698 PolarHBondContact O-N 2.72Å; Y694-S699 PolarHBondContact O-N 3.27Å; Y694-S699 PolarHBondContact O-OG 3.19Å; Y694-C746 VanDerWaalsContact CD2-SG 3.6Å; Y694-C746 HydrophobicContact CE2-CB 4.09Å; Y694-C746 WeakPolarHBondContact CE2-SG 3.29Å; Y694-V886 HydrophobicContact CD2-CG1 4.46Å; Y694-V886 HydrophobicContact CG-CG1 4.34Å; Y694-F960 AromaticContact CD1-CE1 3.53Å; Y694-F960 HydrophobicContact CD1-CE1 3.53Å; Y694-F960 AromaticContact CD1-CZ 3.58Å; Y694-F960 HydrophobicContact CD1-CZ 3.58Å; Y694-F960 AromaticContact CD2-CE1 3.95Å; Y694-F960 HydrophobicContact CD2-CE1 3.95Å; Y694-F960 AromaticContact CE1-CE1 3.71Å; Y694-F960 HydrophobicContact CE1-CE1 3.71Å; Y694-F960 AromaticContact CE1-CZ 3.96Å; Y694-F960 HydrophobicContact CE1-CZ 3.96Å; Y694-F960 HydrophobicContact CE2-CE1 4.11Å; Y694-F960 AromaticContact CG-CE1 3.65Å; Y694-F960 HydrophobicContact CG-CE1 3.65Å; Y694-F960 HydrophobicContact CG-CZ 4Å; Y694-F960 AromaticContact CZ-CE1 3.99Å
695	F	86.9	Confident	85.8	Confident	8 Å²	8	27.6 Å²	27.6	4%	0.035	15%	0.149	C	C	.	.	I	π-helix	trans	-71.2	-28	-178	-67.7	-62.5	0	0	0	113.2	I691 S699 I863 A927 A928 L956 F960	I691-F695 HydrophobicContact CB-CD2 4.07Å; I691-F695 HydrophobicContact CB-CE2 4.02Å; I691-F695 VanDerWaalsContact O-CD2 3.23Å; I691-F695 WeakPolarHBondContact O-CD2 3.26Å; I691-F695 PolarHBondContact O-N 2.84Å; F695-S699 PolarHBondContact O-OG 3.23Å; F695-I863 HydrophobicContact CB-CD1 3.64Å; F695-I863 HydrophobicContact CD2-CD1 3.4Å; F695-I863 HydrophobicContact CE2-CD1 4.39Å; F695-I863 HydrophobicContact CG-CD1 3.88Å; F695-A927 HydrophobicContact CB-CB 4.29Å; F695-A927 HydrophobicContact CD1-CB 3.67Å; F695-A927 HydrophobicContact CD2-CB 4.23Å; F695-A927 VanDerWaalsContact CE1-C 3.45Å; F695-A927 HydrophobicContact CE1-CB 3.99Å; F695-A927 WeakPolarHBondContact CE1-O 3.37Å; F695-A927 HydrophobicContact CE2-CB 4.49Å; F695-A927 HydrophobicContact CG-CB 3.81Å; F695-A927 HydrophobicContact CZ-CB 4.38Å; F695-A928 HydrophobicContact CE1-CB 4.45Å; F695-A928 HydrophobicContact CZ-CB 3.94Å; F695-L956 HydrophobicContact CE2-CD2 4.29Å; F695-L956 HydrophobicContact CZ-CD2 4.43Å; F695-F960 HydrophobicContact CE2-CE2 4.24Å; F695-F960 AromaticContact CE2-CZ 3.98Å; F695-F960 HydrophobicContact CE2-CZ 3.98Å; F695-F960 HydrophobicContact CZ-CE2 4.24Å; F695-F960 AromaticContact CZ-CZ 3.94Å; F695-F960 HydrophobicContact CZ-CZ 3.94Å
696	G	80.1	Confident	85.7	Confident	33 Å²	33	31.8 Å²	31.8	34%	0.34	18%	0.178	S	C	.	.	I	π-helix	trans	-81.8	-20.9	179.3	0	0	0	0	0	114.9	G692 Y694	G692-G696 PolarHBondContact O-N 2.72Å; G692-G696 VanDerWaalsContact O-N 3.15Å; Y694-G696 VanDerWaalsContact C-N 3.33Å; Y694-G696 PolarHBondContact O-N 3.1Å
697	A	84.6	Confident	86.3	Confident	22 Å²	22	32.3 Å²	32.3	18%	0.182	18%	0.177	C	C	.	.	I	π-helix	trans	-142.5	-59.3	-175	0	0	0	0	0	113.4	N693 Y694 S699 Q700 W701	N693-A697 WeakPolarHBondContact O-CB 3.4Å; N693-A697 PolarHBondContact O-N 2.88Å; Y694-A697 PolarHBondContact O-N 2.84Å; A697-S699 VanDerWaalsContact C-N 3.34Å; A697-S699 PolarHBondContact O-N 2.77Å; A697-Q700 WeakPolarHBondContact O-CB 3.29Å; A697-Q700 PolarHBondContact O-N 2.71Å; A697-W701 HydrophobicContact CB-CH2 3.68Å; A697-W701 HydrophobicContact CB-CZ2 3.64Å; A697-W701 HydrophobicContact CB-CZ3 4.21Å; A697-W701 PolarHBondContact O-N 3.2Å
698	A	87.4	Confident	86.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-61	-39	-173.2	0	0	0	0	0	113.7	M689 N693 Y694 Q700 W701 L702	M689-A698 HydrophobicContact SD-CB 4.47Å; N693-A698 PolarHBondContact O-N 3.39Å; Y694-A698 HydrophobicContact CD2-CB 3.93Å; Y694-A698 HydrophobicContact CE2-CB 4.48Å; Y694-A698 PolarHBondContact O-N 2.72Å; A698-Q700 VanDerWaalsContact C-N 3.29Å; A698-Q700 PolarHBondContact O-N 3.33Å; A698-W701 HydrophobicContact CB-CE3 4.26Å; A698-W701 HydrophobicContact CB-CZ3 4.48Å; A698-W701 PolarHBondContact O-N 3.42Å; A698-L702 PolarHBondContact O-N 2.78Å
699	S	86.6	Confident	86.7	Confident	16 Å²	16	35.5 Å²	35.5	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-35.7	176.1	69.1	0	0	0	0	112.2	Y694 F695 A697 R703	Y694-S699 PolarHBondContact O-N 3.27Å; Y694-S699 PolarHBondContact O-OG 3.19Å; F695-S699 PolarHBondContact O-OG 3.23Å; A697-S699 VanDerWaalsContact C-N 3.34Å; A697-S699 PolarHBondContact O-N 2.77Å; S699-R703 WeakPolarHBondContact O-CG 3.27Å; S699-R703 PolarHBondContact O-N 3.45Å
700	Q	86.5	Confident	86.7	Confident	25 Å²	25	35.6 Å²	35.6	12%	0.117	21%	0.208	C	C	.	.	H	α-helix	trans	-71	-42	177.2	-175.6	171.2	25.9	0	0	110.8	A697 A698 L702 R703 L704 M856 M857	A697-Q700 WeakPolarHBondContact O-CB 3.29Å; A697-Q700 PolarHBondContact O-N 2.71Å; A698-Q700 VanDerWaalsContact C-N 3.29Å; A698-Q700 PolarHBondContact O-N 3.33Å; Q700-L702 VanDerWaalsContact C-N 3.34Å; Q700-R703 PolarHBondContact O-N 3.02Å; Q700-L704 HydrophobicContact CG-CD1 4.41Å; Q700-L704 WeakPolarHBondContact O-CG 3.48Å; Q700-L704 PolarHBondContact O-N 2.94Å; Q700-M856 HydrophobicContact CG-CE 3.96Å; Q700-M857 PolarHBondContact NE2-O 3.02Å
701	W	90.1	Very high	86.7	Confident	6 Å²	6	43.1 Å²	43.1	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-39.7	175.3	-59.5	-28.3	0	0	0	112.3	S681 I683 A697 A698 R703 L704 Q705 L713 L715 L743 L748	S681-W701 WeakPolarHBondContact OG-CZ2 2.9Å; S681-W701 PolarHBondContact OG-NE1 2.86Å; S681-W701 VanDerWaalsContact OG-NE1 3.16Å; I683-W701 HydrophobicContact CB-CH2 4.01Å; I683-W701 HydrophobicContact CD1-CH2 4.22Å; I683-W701 HydrophobicContact CD1-CZ3 4.42Å; A697-W701 HydrophobicContact CB-CH2 3.68Å; A697-W701 HydrophobicContact CB-CZ2 3.64Å; A697-W701 HydrophobicContact CB-CZ3 4.21Å; A697-W701 PolarHBondContact O-N 3.2Å; A698-W701 HydrophobicContact CB-CE3 4.26Å; A698-W701 HydrophobicContact CB-CZ3 4.48Å; A698-W701 PolarHBondContact O-N 3.42Å; W701-R703 VanDerWaalsContact C-N 3.31Å; W701-R703 PolarHBondContact O-N 3.03Å; W701-L704 PolarHBondContact O-N 3.28Å; W701-Q705 WeakPolarHBondContact O-CB 3.32Å; W701-Q705 PolarHBondContact O-N 3.32Å; W701-L713 HydrophobicContact CB-CD2 4.08Å; W701-L715 HydrophobicContact CB-CD1 4.44Å; W701-L715 HydrophobicContact CD2-CD1 4.2Å; W701-L715 HydrophobicContact CD2-CD2 3.75Å; W701-L715 HydrophobicContact CE3-CD1 3.99Å; W701-L715 HydrophobicContact CE3-CD2 4.16Å; W701-L715 HydrophobicContact CG-CD1 4.41Å; W701-L715 HydrophobicContact CG-CD2 3.98Å; W701-L715 HydrophobicContact CZ2-CD2 4.37Å; W701-L743 HydrophobicContact CE3-CD2 4.15Å; W701-L743 HydrophobicContact CZ3-CD2 3.7Å; W701-L748 HydrophobicContact CB-CD1 4.12Å; W701-L748 HydrophobicContact CB-CD2 3.66Å; W701-L748 HydrophobicContact CE3-CD1 3.81Å
702	L	88.9	Confident	86.8	Confident	52 Å²	52	46.3 Å²	46.3	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-42.3	177.2	-174.3	64.1	0	0	0	111.2	A698 Q700 Q705 S706	A698-L702 PolarHBondContact O-N 2.78Å; Q700-L702 VanDerWaalsContact C-N 3.34Å; L702-Q705 PolarHBondContact O-N 2.94Å; L702-S706 PolarHBondContact O-N 3.13Å; L702-S706 PolarHBondContact O-OG 2.78Å
703	R	87.3	Confident	87.2	Confident	127 Å²	127	45.7 Å²	45.7	48%	0.479	24%	0.242	S	C	.	.	H	α-helix	trans	-65.5	-43.8	175.6	-68.8	172.5	-176.4	-164.5	11	112.5	S699 Q700 W701 Q705 S706 D707 Q859	S699-R703 WeakPolarHBondContact O-CG 3.27Å; S699-R703 PolarHBondContact O-N 3.45Å; Q700-R703 PolarHBondContact O-N 3.02Å; W701-R703 VanDerWaalsContact C-N 3.31Å; W701-R703 PolarHBondContact O-N 3.03Å; R703-Q705 VanDerWaalsContact C-N 3.31Å; R703-Q705 PolarHBondContact O-N 3.38Å; R703-S706 CarbonylContact O-C 3.46Å; R703-S706 PolarHBondContact O-N 3.36Å; R703-S706 VanDerWaalsContact O-N 3.15Å; R703-D707 PolarHBondContact O-N 3.38Å; R703-Q859 VanDerWaalsContact NH1-CD 3.3Å
704	L	87.7	Confident	87.6	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-40.1	175.6	-74.9	169.3	0	0	0	112	V679 Q700 W701 S706 D707 C710 P822 M856	V679-L704 HydrophobicContact CG1-CD1 3.88Å; V679-L704 HydrophobicContact CG2-CD1 4.48Å; V679-L704 HydrophobicContact CG2-CD2 4.42Å; Q700-L704 HydrophobicContact CG-CD1 4.41Å; Q700-L704 WeakPolarHBondContact O-CG 3.48Å; Q700-L704 PolarHBondContact O-N 2.94Å; W701-L704 PolarHBondContact O-N 3.28Å; L704-S706 VanDerWaalsContact C-N 3.25Å; L704-S706 PolarHBondContact O-N 3.48Å; L704-D707 WeakPolarHBondContact O-CB 3.42Å; L704-D707 PolarHBondContact O-N 3.1Å; L704-D707 VanDerWaalsContact O-N 3.15Å; L704-C710 WeakPolarHBondContact O-CB 3.06Å; L704-P822 HydrophobicContact CD1-CG 4.44Å; L704-M856 HydrophobicContact CD1-CE 3.42Å; L704-M856 VanDerWaalsContact CD1-CE 3.42Å; L704-M856 HydrophobicContact CD2-CE 3.76Å; L704-M856 HydrophobicContact CD2-SD 4.13Å; L704-M856 HydrophobicContact CG-CE 3.93Å
705	Q	88.3	Confident	87.9	Confident	34 Å²	34	43.8 Å²	43.8	16%	0.159	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-39.1	175.1	-173.5	-179.2	-88.4	0	0	111.3	W701 L702 R703 L713 G747 G749 K752 C753	W701-Q705 WeakPolarHBondContact O-CB 3.32Å; W701-Q705 PolarHBondContact O-N 3.32Å; L702-Q705 PolarHBondContact O-N 2.94Å; R703-Q705 VanDerWaalsContact C-N 3.31Å; R703-Q705 PolarHBondContact O-N 3.38Å; Q705-L713 HydrophobicContact CB-CD2 4.5Å; Q705-G747 PolarHBondContact NE2-O 2.96Å; Q705-G749 PolarHBondContact OE1-O 3.41Å; Q705-K752 HydrophobicContact CG-CB 4.2Å; Q705-K752 WeakPolarHBondContact O-CD 3.39Å; Q705-K752 PolarHBondContact O-NZ 3Å; Q705-C753 HydrophobicContact CG-CB 4.49Å
706	S	85.7	Confident	88.3	Confident	89 Å²	89	43.6 Å²	43.6	62%	0.622	23%	0.233	S	C	*	.	H	α-helix	trans	-77.5	-20.3	176.7	-61.9	0	0	0	0	114	L702 R703 L704	L702-S706 PolarHBondContact O-N 3.13Å; L702-S706 PolarHBondContact O-OG 2.78Å; R703-S706 CarbonylContact O-C 3.46Å; R703-S706 PolarHBondContact O-N 3.36Å; R703-S706 VanDerWaalsContact O-N 3.15Å; L704-S706 VanDerWaalsContact C-N 3.25Å; L704-S706 PolarHBondContact O-N 3.48Å
707	D	86.5	Confident	89	Confident	63 Å²	63	42 Å²	42	34%	0.337	22%	0.216	S	C	.	.			trans	-67.9	127.5	-176.5	-163.1	-40.4	0	0	0	111.3	R703 L704 S709 C710 K752	R703-D707 PolarHBondContact O-N 3.38Å; L704-D707 WeakPolarHBondContact O-CB 3.42Å; L704-D707 PolarHBondContact O-N 3.1Å; L704-D707 VanDerWaalsContact O-N 3.15Å; D707-S709 PolarHBondContact O-N 3.31Å; D707-S709 VanDerWaalsContact OD1-CB 3.29Å; D707-S709 WeakPolarHBondContact OD1-CB 3.42Å; D707-S709 PolarHBondContact OD1-N 3.43Å; D707-S709 PolarHBondContact OD1-OG 2.94Å; D707-S709 PolarHBondContact OD2-OG 2.75Å; D707-C710 HydrophobicContact CB-CB 4.32Å; D707-C710 PolarHBondContact O-N 2.96Å; D707-K752 PolarHBondContact O-NZ 3.09Å
708	P	83.8	Confident	89.3	Confident	122 Å²	122	41.3 Å²	41.3	79%	0.792	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.6	174.1	-24	34.2	0	0	0	113.7	C710	P708-C710 VanDerWaalsContact C-N 3.31Å
709	S	84.9	Confident	89.5	Confident	51 Å²	51	41.9 Å²	41.9	36%	0.357	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.5	179.5	68.7	0	0	0	0	112.8	G676 E677 D707 R711	G676-S709 CarbonylContact C-O 3.6Å; G676-S709 WeakPolarHBondContact CA-O 3.43Å; E677-S709 PolarHBondContact N-O 2.8Å; D707-S709 PolarHBondContact O-N 3.31Å; D707-S709 VanDerWaalsContact OD1-CB 3.29Å; D707-S709 WeakPolarHBondContact OD1-CB 3.42Å; D707-S709 PolarHBondContact OD1-N 3.43Å; D707-S709 PolarHBondContact OD1-OG 2.94Å; D707-S709 PolarHBondContact OD2-OG 2.75Å; S709-R711 PolarHBondContact O-N 3.04Å
710	C	86	Confident	89.8	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.02	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.6	179	179.5	0	0	0	0	111	L704 D707 P708	L704-C710 WeakPolarHBondContact O-CB 3.06Å; D707-C710 HydrophobicContact CB-CB 4.32Å; D707-C710 PolarHBondContact O-N 2.96Å; P708-C710 VanDerWaalsContact C-N 3.31Å
711	R	89.4	Confident	89.9	Confident	164 Å²	164	43.1 Å²	43.1	62%	0.619	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	-46.3	177.6	176.5	-178.1	173.7	-177.9	-1.8	112.1	G676 E677 S709	G676-R711 WeakPolarHBondContact O-CB 3.37Å; E677-R711 PolarHBondContact O-N 3.31Å; S709-R711 PolarHBondContact O-N 3.04Å
712	R	92.1	Very high	89.7	Confident	67 Å²	67	43 Å²	43	25%	0.253	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	135.8	-176.2	-154.3	70	171	179.5	6	110.4	V679 Y714 P751 E987	V679-R712 PolarHBondContact N-O 3.43Å; R712-Y714 HydrophobicContact CB-CE2 4.12Å; R712-Y714 HydrophobicContact CG-CD2 4.34Å; R712-Y714 HydrophobicContact CG-CE1 4.43Å; R712-Y714 HydrophobicContact CG-CE2 3.7Å; R712-P751 VanDerWaalsContact CZ-O 3.27Å; R712-P751 PolarHBondContact NH1-O 2.9Å; R712-P751 PolarHBondContact NH2-O 2.91Å; R712-E987 IonicContact CZ-OE2 3.81Å; R712-E987 IonicContact NH2-OE2 2.76Å; R712-E987 PolarHBondContact NH2-OE2 3.47Å
713	L	93.7	Very high	89.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116	174.9	175	62.8	0	0	0	109	V679 W701 Q705 L715 L748 K752 C753 V754	V679-L713 HydrophobicContact CB-CD1 3.78Å; V679-L713 HydrophobicContact CG1-CD1 3.67Å; V679-L713 WeakPolarHBondContact O-CA 3.29Å; W701-L713 HydrophobicContact CB-CD2 4.08Å; Q705-L713 HydrophobicContact CB-CD2 4.5Å; L713-L715 HydrophobicContact CD1-CD2 3.94Å; L713-L715 HydrophobicContact CD1-CG 4.34Å; L713-L715 HydrophobicContact CD2-CD1 4.25Å; L713-L715 HydrophobicContact CD2-CD2 4.45Å; L713-L715 HydrophobicContact CD2-CG 4.26Å; L713-L715 HydrophobicContact CG-CD2 4.18Å; L713-L715 HydrophobicContact CG-CG 4.02Å; L713-L748 HydrophobicContact CD2-CD2 4.42Å; L713-K752 PolarHBondContact N-O 3.07Å; L713-C753 HydrophobicContact CB-CB 4.38Å; L713-C753 HydrophobicContact CD2-CB 4.21Å; L713-C753 HydrophobicContact CG-CB 4.48Å; L713-C753 CarbonylContact O-C 3.59Å; L713-C753 VanDerWaalsContact O-CA 3.3Å; L713-C753 WeakPolarHBondContact O-CA 3.38Å; L713-V754 PolarHBondContact O-N 3.27Å
714	Y	95.2	Very high	88.8	Confident	20 Å²	20	41.3 Å²	41.3	8%	0.078	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.4	172.4	-67.2	-80.6	0	0	0	109.2	V678 V679 M680 S681 R712 V754 F756 Y816 V991	V678-Y714 HydrophobicContact CG1-CD2 3.98Å; V678-Y714 HydrophobicContact CG1-CE2 3.88Å; V679-Y714 PolarHBondContact O-N 3.33Å; M680-Y714 WeakPolarHBondContact SD-CB 3.5Å; M680-Y714 VanDerWaalsContact SD-O 3.37Å; S681-Y714 PolarHBondContact N-O 3.01Å; R712-Y714 HydrophobicContact CB-CE2 4.12Å; R712-Y714 HydrophobicContact CG-CD2 4.34Å; R712-Y714 HydrophobicContact CG-CE1 4.43Å; R712-Y714 HydrophobicContact CG-CE2 3.7Å; Y714-V754 HydrophobicContact CD1-CB 3.83Å; Y714-V754 HydrophobicContact CD1-CG1 4.19Å; Y714-V754 HydrophobicContact CD1-CG2 4.22Å; Y714-V754 HydrophobicContact CE1-CB 4.09Å; Y714-V754 HydrophobicContact CE1-CG1 4.33Å; Y714-V754 HydrophobicContact CE1-CG2 4.02Å; Y714-F756 HydrophobicContact CD1-CE1 4.4Å; Y714-Y816 AromaticContact CD1-CD1 3.89Å; Y714-Y816 HydrophobicContact CD1-CD1 3.89Å; Y714-Y816 HydrophobicContact CD1-CE1 4.2Å; Y714-Y816 HydrophobicContact CD1-CG 4.48Å; Y714-Y816 HydrophobicContact CD2-CD1 4.24Å; Y714-Y816 HydrophobicContact CD2-CG 4.23Å; Y714-Y816 HydrophobicContact CE1-CD1 4.1Å; Y714-Y816 HydrophobicContact CE1-CE1 4.49Å; Y714-Y816 HydrophobicContact CE2-CD1 4.4Å; Y714-Y816 AromaticContact CG-CD1 3.98Å; Y714-Y816 HydrophobicContact CG-CD1 3.98Å; Y714-Y816 HydrophobicContact CG-CG 4.12Å; Y714-V991 WeakPolarHBondContact OH-CG2 3.29Å
715	L	94.7	Very high	87.8	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	110.8	176.8	-65.9	-175.8	0	0	0	109.8	S681 W701 L713 L748 C753 V754 I755 F756	S681-L715 WeakPolarHBondContact O-CA 3.45Å; W701-L715 HydrophobicContact CB-CD1 4.44Å; W701-L715 HydrophobicContact CD2-CD1 4.2Å; W701-L715 HydrophobicContact CD2-CD2 3.75Å; W701-L715 HydrophobicContact CE3-CD1 3.99Å; W701-L715 HydrophobicContact CE3-CD2 4.16Å; W701-L715 HydrophobicContact CG-CD1 4.41Å; W701-L715 HydrophobicContact CG-CD2 3.98Å; W701-L715 HydrophobicContact CZ2-CD2 4.37Å; L713-L715 HydrophobicContact CD1-CD2 3.94Å; L713-L715 HydrophobicContact CD1-CG 4.34Å; L713-L715 HydrophobicContact CD2-CD1 4.25Å; L713-L715 HydrophobicContact CD2-CD2 4.45Å; L713-L715 HydrophobicContact CD2-CG 4.26Å; L713-L715 HydrophobicContact CG-CD2 4.18Å; L713-L715 HydrophobicContact CG-CG 4.02Å; L715-L748 HydrophobicContact CD1-CB 4.42Å; L715-L748 HydrophobicContact CD1-CD1 3.89Å; L715-L748 HydrophobicContact CD1-CD2 4.28Å; L715-L748 HydrophobicContact CD1-CG 4.43Å; L715-C753 WeakPolarHBondContact CD1-SG 3.44Å; L715-V754 PolarHBondContact N-O 2.97Å; L715-I755 HydrophobicContact CB-CG1 4.35Å; L715-I755 WeakPolarHBondContact O-CA 3.49Å; L715-F756 PolarHBondContact O-N 3.12Å; L715-F756 VanDerWaalsContact O-N 3.16Å
716	C	94.3	Very high	86.3	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.027	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.8	174.2	69	0	0	0	0	112.3	M680 S681 G682 I683 A718 F756	M680-C716 HydrophobicContact CE-CB 3.92Å; M680-C716 VanDerWaalsContact CE-SG 3.57Å; S681-C716 PolarHBondContact O-N 2.84Å; S681-C716 VanDerWaalsContact O-N 3.07Å; G682-C716 VanDerWaalsContact CA-O 3.24Å; G682-C716 WeakPolarHBondContact CA-O 3.44Å; G682-C716 VanDerWaalsContact CA-SG 3.53Å; I683-C716 PolarHBondContact N-O 2.8Å; C716-A718 PolarHBondContact O-N 3.15Å; C716-F756 CarbonylContact C-O 3.56Å; C716-F756 WeakPolarHBondContact CA-O 3.49Å; C716-F756 HydrophobicContact CB-CD2 4.38Å; C716-F756 HydrophobicContact CB-CE1 4.14Å; C716-F756 HydrophobicContact CB-CE2 3.66Å; C716-F756 HydrophobicContact CB-CZ 3.52Å
717	I	94.3	Very high	85.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	103.3	160.9	-52	-59.2	0	0	0	106.6	I683 P685 D719 V736 M739 L743 I755 F756 Q758 L981	I683-I717 HydrophobicContact CG2-CD1 3.96Å; P685-I717 HydrophobicContact CB-CG2 3.93Å; P685-I717 HydrophobicContact CG-CG2 3.89Å; I717-D719 PolarHBondContact O-N 3.43Å; I717-V736 HydrophobicContact CG2-CG1 4.27Å; I717-V736 HydrophobicContact CG2-CG2 4.19Å; I717-M739 HydrophobicContact CD1-CG 4.12Å; I717-L743 HydrophobicContact CD1-CD1 3.62Å; I717-I755 HydrophobicContact CD1-CG2 4.45Å; I717-I755 HydrophobicContact CG1-CG2 4.43Å; I717-F756 PolarHBondContact N-O 3.41Å; I717-Q758 VanDerWaalsContact O-CB 3.3Å; I717-Q758 WeakPolarHBondContact O-CB 3.4Å; I717-Q758 PolarHBondContact O-N 3.15Å; I717-L981 HydrophobicContact CG1-CD2 4.29Å
718	A	92.3	Very high	85.1	Confident	7 Å²	7	46.9 Å²	46.9	6%	0.058	26%	0.263	C	S	.	.			trans	-80.6	64.3	-168.8	0	0	0	0	0	112.1	I683 Q684 P685 C716 H721 A722 Q758	I683-A718 PolarHBondContact O-N 2.81Å; Q684-A718 HydrophobicContact CG-CB 4.23Å; P685-A718 WeakPolarHBondContact CD-O 3.44Å; C716-A718 PolarHBondContact O-N 3.15Å; A718-H721 HydrophobicContact CB-CB 4.23Å; A718-H721 PolarHBondContact O-N 3.02Å; A718-A722 PolarHBondContact O-N 3.29Å; A718-Q758 VanDerWaalsContact CA-OE1 3.23Å
719	D	91.9	Very high	85.3	Confident	11 Å²	11	44.8 Å²	44.8	6%	0.059	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-33.6	-177.3	65.9	-28.3	0	0	0	113.3	P685 I717 H721 A722 L723 V736 Q757 Q758 S759	P685-D719 HydrophobicContact CG-CB 4.08Å; I717-D719 PolarHBondContact O-N 3.43Å; D719-H721 VanDerWaalsContact C-N 3.27Å; D719-H721 PolarHBondContact O-N 3.28Å; D719-A722 WeakPolarHBondContact O-CB 3.41Å; D719-A722 PolarHBondContact O-N 3.15Å; D719-A722 VanDerWaalsContact O-N 3.1Å; D719-L723 PolarHBondContact O-N 3.46Å; D719-V736 HydrophobicContact CB-CG2 4.21Å; D719-Q757 WeakPolarHBondContact OD2-CG 3.44Å; D719-Q757 PolarHBondContact OD2-NE2 3.42Å; D719-Q758 WeakPolarHBondContact OD1-CB 3.11Å; D719-S759 PolarHBondContact OD1-N 2.96Å; D719-S759 WeakPolarHBondContact OD2-CB 3.29Å; D719-S759 PolarHBondContact OD2-OG 3.2Å
720	L	91.5	Very high	85.5	Confident	57 Å²	57	46.9 Å²	46.9	30%	0.298	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-37.1	172.5	-61.9	177.7	0	0	0	111.6	A722 L723 Q758 L808	L720-A722 VanDerWaalsContact C-N 3.31Å; L720-A722 PolarHBondContact O-N 2.92Å; L720-L723 HydrophobicContact CD2-CD1 4.3Å; L720-L723 WeakPolarHBondContact O-CB 3.33Å; L720-L723 PolarHBondContact O-N 3.37Å; L720-Q758 HydrophobicContact CD1-CG 4.07Å; L720-Q758 HydrophobicContact CG-CG 4.32Å; L720-L808 HydrophobicContact CB-CD2 4.04Å
721	H	88.4	Confident	85.5	Confident	11 Å²	11	50.3 Å²	50.3	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-69.9	-28.4	175.4	-74.5	-88.6	0	0	0	113	Q684 A718 D719 L723 S724 Q758 Y805 D812	Q684-H721 HydrophobicContact CG-CB 4.03Å; A718-H721 HydrophobicContact CB-CB 4.23Å; A718-H721 PolarHBondContact O-N 3.02Å; D719-H721 VanDerWaalsContact C-N 3.27Å; D719-H721 PolarHBondContact O-N 3.28Å; H721-L723 PolarHBondContact O-N 3.32Å; H721-S724 PolarHBondContact O-N 3.15Å; H721-S724 PolarHBondContact O-OG 2.65Å; H721-Q758 PolarHBondContact CD2-NE2 3.19Å; H721-Q758 PolarHBondContact CD2-OE1 3.32Å; H721-Y805 AromaticContact ND1-CD2 3.9Å; H721-D812 IonicContact CD2-OD2 3.29Å; H721-D812 PolarHBondContact CD2-OD2 3.39Å; H721-D812 IonicContact CE1-OD2 3.61Å; H721-D812 IonicContact NE2-OD2 2.81Å; H721-D812 PolarHBondContact NE2-OD2 2.86Å
722	A	85.7	Confident	85.5	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-24.7	176.8	0	0	0	0	0	112.6	P685 A718 D719 L720 S724 S725 C727 L732	P685-A722 HydrophobicContact CG-CB 4.12Å; A718-A722 PolarHBondContact O-N 3.29Å; D719-A722 WeakPolarHBondContact O-CB 3.41Å; D719-A722 PolarHBondContact O-N 3.15Å; D719-A722 VanDerWaalsContact O-N 3.1Å; L720-A722 VanDerWaalsContact C-N 3.31Å; L720-A722 PolarHBondContact O-N 2.92Å; A722-S724 PolarHBondContact O-N 3.35Å; A722-S724 VanDerWaalsContact O-N 3.12Å; A722-S725 PolarHBondContact O-N 2.8Å; A722-S725 PolarHBondContact O-OG 3.4Å; A722-C727 PolarHBondContact O-SG 3.07Å; A722-L732 HydrophobicContact CB-CD1 3.87Å
723	L	85.7	Confident	85.4	Confident	112 Å²	112	47.2 Å²	47.2	59%	0.586	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.9	175.9	-59.9	176	0	0	0	113.8	D719 L720 H721 S725 L732	D719-L723 PolarHBondContact O-N 3.46Å; L720-L723 HydrophobicContact CD2-CD1 4.3Å; L720-L723 WeakPolarHBondContact O-CB 3.33Å; L720-L723 PolarHBondContact O-N 3.37Å; H721-L723 PolarHBondContact O-N 3.32Å; L723-S725 PolarHBondContact O-N 3.33Å; L723-L732 HydrophobicContact CD2-CD2 4.03Å
724	S	72.2	Confident	85.2	Confident	32 Å²	32	53.6 Å²	53.6	22%	0.224	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.3	174.4	66.8	0	0	0	0	113.5	H721 A722	H721-S724 PolarHBondContact O-N 3.15Å; H721-S724 PolarHBondContact O-OG 2.65Å; A722-S724 PolarHBondContact O-N 3.35Å; A722-S724 VanDerWaalsContact O-N 3.12Å
725	S	67.8	Low	84.9	Confident	58 Å²	58	53.5 Å²	53.5	41%	0.406	29%	0.285	S	S	.	.	S	Bend	trans	-105.5	152.3	168.9	38.9	0	0	0	0	110.6	A722 L723 C727	A722-S725 PolarHBondContact O-N 2.8Å; A722-S725 PolarHBondContact O-OG 3.4Å; L723-S725 PolarHBondContact O-N 3.33Å; S725-C727 PolarHBondContact O-N 3.34Å
726	S	56.4	Low	84.8	Confident	130 Å²	130	53.7 Å²	53.7	91%	0.909	29%	0.286	S	S	*	.			trans	-60	100.7	177.6	53.7	0	0	0	0	110.6
727	C	64.5	Low	84.7	Confident	47 Å²	47	55 Å²	55	32%	0.318	29%	0.292	S	S	.	.			trans	-108.3	117.5	-177.7	-83.7	0	0	0	0	110.6	A722 S725 L732	A722-C727 PolarHBondContact O-SG 3.07Å; S725-C727 PolarHBondContact O-N 3.34Å; C727-L732 HydrophobicContact CB-CB 4.47Å
728	D	83.1	Confident	84.6	Confident	83 Å²	83	56.1 Å²	56.1	44%	0.444	30%	0.3	S	S	.	.			trans	-61.9	126.3	155.7	166.2	41.4	0	0	0	108.9	E730 Q731 L732	D728-E730 VanDerWaalsContact C-N 3.28Å; D728-E730 PolarHBondContact O-N 3.1Å; D728-E730 PolarHBondContact OD1-N 3.41Å; D728-Q731 HydrophobicContact CB-CB 3.92Å; D728-Q731 PolarHBondContact O-N 3.49Å; D728-Q731 WeakPolarHBondContact OD2-CB 3.49Å; D728-Q731 PolarHBondContact OD2-N 3.38Å; D728-L732 PolarHBondContact O-N 3.45Å
729	P	87.2	Confident	84.5	Confident	79 Å²	79	55.9 Å²	55.9	51%	0.513	30%	0.297	S	S	.	.	H	α-helix	trans	-56.3	-38.5	-178.9	-27.2	35.1	0	0	0	113.9	L732 R733	P729-L732 PolarHBondContact O-N 3.27Å; P729-R733 WeakPolarHBondContact O-CG 3.45Å; P729-R733 PolarHBondContact O-N 3.03Å; P729-R733 VanDerWaalsContact O-N 3.15Å
730	E	88.3	Confident	84.6	Confident	94 Å²	94	55.3 Å²	55.3	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-69.9	-37.1	179.1	-65.7	-56.2	151.7	0	0	111.9	D728 R733 R734	D728-E730 VanDerWaalsContact C-N 3.28Å; D728-E730 PolarHBondContact O-N 3.1Å; D728-E730 PolarHBondContact OD1-N 3.41Å; E730-R733 IonicContact OE1-CZ 3.77Å; E730-R733 IonicContact OE1-NH1 2.65Å; E730-R733 PolarHBondContact OE1-NH1 2.9Å; E730-R733 IonicContact OE1-NH2 2.89Å; E730-R733 IonicContact OE2-CZ 2.98Å; E730-R733 IonicContact OE2-NH1 3.51Å; E730-R733 PolarHBondContact OE2-NH1 2.97Å; E730-R734 WeakPolarHBondContact O-CG 3.1Å; E730-R734 PolarHBondContact O-N 2.89Å; E730-R734 PolarHBondContact O-NE 3.28Å; E730-R734 VanDerWaalsContact O-NE 3.17Å
731	Q	87.2	Confident	84.6	Confident	75 Å²	75	52.6 Å²	52.6	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-64.6	-44.3	173	-170.5	60.2	41	0	0	111.8	D728 R733 R734 D735	D728-Q731 HydrophobicContact CB-CB 3.92Å; D728-Q731 PolarHBondContact O-N 3.49Å; D728-Q731 WeakPolarHBondContact OD2-CB 3.49Å; D728-Q731 PolarHBondContact OD2-N 3.38Å; Q731-R733 PolarHBondContact O-N 2.83Å; Q731-R734 PolarHBondContact O-N 3.03Å; Q731-D735 PolarHBondContact NE2-OD1 3.38Å; Q731-D735 WeakPolarHBondContact O-CB 3.44Å; Q731-D735 PolarHBondContact O-N 2.86Å
732	L	88.3	Confident	84.8	Confident	25 Å²	25	52.1 Å²	52.1	13%	0.131	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-43.1	179.8	-179.2	61.2	0	0	0	111.9	P685 A722 L723 C727 D728 P729 R734 D735 V736	P685-L732 HydrophobicContact CB-CD1 4.47Å; P685-L732 HydrophobicContact CG-CD1 3.82Å; A722-L732 HydrophobicContact CB-CD1 3.87Å; L723-L732 HydrophobicContact CD2-CD2 4.03Å; C727-L732 HydrophobicContact CB-CB 4.47Å; D728-L732 PolarHBondContact O-N 3.45Å; P729-L732 PolarHBondContact O-N 3.27Å; L732-R734 PolarHBondContact O-N 3.02Å; L732-D735 PolarHBondContact O-N 3.18Å; L732-V736 HydrophobicContact CD1-CG2 4.45Å; L732-V736 WeakPolarHBondContact O-CG2 3.44Å; L732-V736 PolarHBondContact O-N 3.47Å
733	R	89.8	Confident	85.1	Confident	142 Å²	142	52 Å²	52	54%	0.536	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-46.3	175.5	-69.2	-176	-148	137.7	6	111.6	P729 E730 Q731 D735 V736 I737	P729-R733 WeakPolarHBondContact O-CG 3.45Å; P729-R733 PolarHBondContact O-N 3.03Å; P729-R733 VanDerWaalsContact O-N 3.15Å; E730-R733 IonicContact OE1-CZ 3.77Å; E730-R733 IonicContact OE1-NH1 2.65Å; E730-R733 PolarHBondContact OE1-NH1 2.9Å; E730-R733 IonicContact OE1-NH2 2.89Å; E730-R733 IonicContact OE2-CZ 2.98Å; E730-R733 IonicContact OE2-NH1 3.51Å; E730-R733 PolarHBondContact OE2-NH1 2.97Å; Q731-R733 PolarHBondContact O-N 2.83Å; R733-D735 VanDerWaalsContact C-N 3.31Å; R733-D735 PolarHBondContact O-N 3.45Å; R733-V736 PolarHBondContact O-N 2.77Å; R733-I737 WeakPolarHBondContact O-CG1 3.4Å; R733-I737 PolarHBondContact O-N 3.31Å
734	R	89.7	Confident	85.4	Confident	134 Å²	134	48.3 Å²	48.3	51%	0.506	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-39	176.5	-75.1	-177.9	-77.4	164.1	-3.4	112	E730 Q731 L732 I737 T738	E730-R734 WeakPolarHBondContact O-CG 3.1Å; E730-R734 PolarHBondContact O-N 2.89Å; E730-R734 PolarHBondContact O-NE 3.28Å; E730-R734 VanDerWaalsContact O-NE 3.17Å; Q731-R734 PolarHBondContact O-N 3.03Å; L732-R734 PolarHBondContact O-N 3.02Å; R734-I737 PolarHBondContact O-N 2.91Å; R734-T738 VanDerWaalsContact O-CB 3.28Å; R734-T738 WeakPolarHBondContact O-CB 3.47Å; R734-T738 PolarHBondContact O-N 3.32Å; R734-T738 PolarHBondContact O-OG1 3.27Å
735	D	90.1	Very high	86.4	Confident	17 Å²	17	47.3 Å²	47.3	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-70	-37.7	179.9	-73.5	-11.4	0	0	0	112.5	P685 G687 Q731 L732 R733 T738 M739	P685-D735 HydrophobicContact CB-CB 4.08Å; G687-D735 WeakPolarHBondContact CA-OD1 3.35Å; G687-D735 VanDerWaalsContact N-CG 3.29Å; G687-D735 PolarHBondContact N-OD2 3.4Å; Q731-D735 PolarHBondContact NE2-OD1 3.38Å; Q731-D735 WeakPolarHBondContact O-CB 3.44Å; Q731-D735 PolarHBondContact O-N 2.86Å; L732-D735 PolarHBondContact O-N 3.18Å; R733-D735 VanDerWaalsContact C-N 3.31Å; R733-D735 PolarHBondContact O-N 3.45Å; D735-T738 PolarHBondContact O-N 2.57Å; D735-M739 WeakPolarHBondContact O-CB 3.49Å; D735-M739 PolarHBondContact O-N 3.22Å
736	V	91.7	Very high	87.5	Confident	8 Å²	8	45 Å²	45	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-48.6	172.9	168.8	0	0	0	0	110.2	P685 I717 D719 L732 R733 T740 L981	P685-V736 HydrophobicContact CB-CG2 3.85Å; P685-V736 HydrophobicContact CG-CG2 3.8Å; I717-V736 HydrophobicContact CG2-CG1 4.27Å; I717-V736 HydrophobicContact CG2-CG2 4.19Å; D719-V736 HydrophobicContact CB-CG2 4.21Å; L732-V736 HydrophobicContact CD1-CG2 4.45Å; L732-V736 WeakPolarHBondContact O-CG2 3.44Å; L732-V736 PolarHBondContact O-N 3.47Å; R733-V736 PolarHBondContact O-N 2.77Å; V736-T740 WeakPolarHBondContact O-CB 3.18Å; V736-T740 PolarHBondContact O-N 3.14Å; V736-T740 PolarHBondContact O-OG1 2.99Å; V736-L981 HydrophobicContact CG1-CD1 4.3Å
737	I	92.5	Very high	89	Confident	30 Å²	30	40.8 Å²	40.8	15%	0.154	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-48	178.8	-64.7	170.6	0	0	0	110.6	R733 R734 T740 A741 L971 Q974 I977	R733-I737 WeakPolarHBondContact O-CG1 3.4Å; R733-I737 PolarHBondContact O-N 3.31Å; R734-I737 PolarHBondContact O-N 2.91Å; I737-T740 PolarHBondContact O-N 3.5Å; I737-A741 WeakPolarHBondContact O-CB 3.33Å; I737-A741 PolarHBondContact O-N 2.91Å; I737-L971 HydrophobicContact CG2-CD2 4.11Å; I737-Q974 HydrophobicContact CG2-CG 4.23Å; I737-I977 HydrophobicContact CG2-CD1 3.81Å
738	T	91.2	Very high	90.2	Very high	25 Å²	25	38.7 Å²	38.7	15%	0.153	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-41	-177.1	-56.1	0	0	0	0	112.3	R734 D735 A741 S742	R734-T738 VanDerWaalsContact O-CB 3.28Å; R734-T738 WeakPolarHBondContact O-CB 3.47Å; R734-T738 PolarHBondContact O-N 3.32Å; R734-T738 PolarHBondContact O-OG1 3.27Å; D735-T738 PolarHBondContact O-N 2.57Å; T738-A741 PolarHBondContact O-N 3.42Å; T738-S742 WeakPolarHBondContact O-CB 3.44Å; T738-S742 PolarHBondContact O-N 3.24Å; T738-S742 PolarHBondContact O-OG 2.93Å
739	M	91.8	Very high	90.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-45.5	176.3	-175.2	59.5	69	0	0	110.6	I683 M689 I717 D735 A741 S742 L743	I683-M739 HydrophobicContact CD1-CE 4.16Å; I683-M739 HydrophobicContact CD1-SD 3.72Å; I683-M739 HydrophobicContact CG1-CE 4.34Å; I683-M739 HydrophobicContact CG1-SD 4.2Å; I683-M739 HydrophobicContact CG2-CG 3.9Å; I683-M739 HydrophobicContact CG2-SD 4.23Å; M689-M739 HydrophobicContact CB-SD 4.49Å; I717-M739 HydrophobicContact CD1-CG 4.12Å; D735-M739 WeakPolarHBondContact O-CB 3.49Å; D735-M739 PolarHBondContact O-N 3.22Å; M739-A741 PolarHBondContact O-N 3.39Å; M739-S742 WeakPolarHBondContact O-CB 3.39Å; M739-S742 PolarHBondContact O-N 3.07Å; M739-S742 VanDerWaalsContact O-N 3.14Å; M739-L743 WeakPolarHBondContact O-CG 3.46Å; M739-L743 PolarHBondContact O-N 2.8Å
740	T	93	Very high	90	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-45.3	177.7	-52	0	0	0	0	111	V736 I737 S742 L743 M744 I755 I977 L981	V736-T740 WeakPolarHBondContact O-CB 3.18Å; V736-T740 PolarHBondContact O-N 3.14Å; V736-T740 PolarHBondContact O-OG1 2.99Å; I737-T740 PolarHBondContact O-N 3.5Å; T740-S742 VanDerWaalsContact C-N 3.27Å; T740-S742 PolarHBondContact O-N 2.93Å; T740-L743 PolarHBondContact O-N 2.88Å; T740-M744 HydrophobicContact CG2-CG 4.48Å; T740-M744 HydrophobicContact CG2-SD 3.96Å; T740-M744 WeakPolarHBondContact O-CB 3.39Å; T740-M744 VanDerWaalsContact O-CG 3.29Å; T740-M744 WeakPolarHBondContact O-CG 3.3Å; T740-M744 PolarHBondContact O-N 3.25Å; T740-I755 HydrophobicContact CG2-CG2 4.18Å; T740-I977 HydrophobicContact CG2-CG2 3.59Å; T740-L981 HydrophobicContact CG2-CD1 4.26Å; T740-L981 HydrophobicContact CG2-CD2 3.85Å; T740-L981 HydrophobicContact CG2-CG 3.94Å
741	A	93	Very high	89.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-42.4	173.8	0	0	0	0	0	111.8	I737 T738 M739 A745 L970 L971 I977	I737-A741 WeakPolarHBondContact O-CB 3.33Å; I737-A741 PolarHBondContact O-N 2.91Å; T738-A741 PolarHBondContact O-N 3.42Å; M739-A741 PolarHBondContact O-N 3.39Å; A741-A745 WeakPolarHBondContact O-CB 3.31Å; A741-A745 PolarHBondContact O-N 2.81Å; A741-L970 HydrophobicContact CB-CB 4.1Å; A741-L970 WeakPolarHBondContact O-CD1 3.41Å; A741-L971 HydrophobicContact CB-CD2 3.92Å; A741-L971 HydrophobicContact CB-CG 4.17Å; A741-I977 HydrophobicContact CB-CD1 3.73Å
742	S	92.1	Very high	89.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-43.8	179.5	-58.9	0	0	0	0	112.4	T738 M739 T740 A745 C746	T738-S742 WeakPolarHBondContact O-CB 3.44Å; T738-S742 PolarHBondContact O-N 3.24Å; T738-S742 PolarHBondContact O-OG 2.93Å; M739-S742 WeakPolarHBondContact O-CB 3.39Å; M739-S742 PolarHBondContact O-N 3.07Å; M739-S742 VanDerWaalsContact O-N 3.14Å; T740-S742 VanDerWaalsContact C-N 3.27Å; T740-S742 PolarHBondContact O-N 2.93Å; S742-A745 PolarHBondContact O-N 3.4Å; S742-C746 PolarHBondContact O-N 3.19Å; S742-C746 PolarHBondContact O-SG 3.27Å
743	L	92.4	Very high	90	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-45.6	176.6	-65.2	176.7	0	0	0	111.6	I683 W701 I717 M739 T740 A745 C746 L748 I755	I683-L743 HydrophobicContact CG2-CD1 3.94Å; W701-L743 HydrophobicContact CE3-CD2 4.15Å; W701-L743 HydrophobicContact CZ3-CD2 3.7Å; I717-L743 HydrophobicContact CD1-CD1 3.62Å; M739-L743 WeakPolarHBondContact O-CG 3.46Å; M739-L743 PolarHBondContact O-N 2.8Å; T740-L743 PolarHBondContact O-N 2.88Å; L743-A745 VanDerWaalsContact C-N 3.28Å; L743-A745 PolarHBondContact O-N 2.93Å; L743-C746 WeakPolarHBondContact O-CB 3.16Å; L743-C746 PolarHBondContact O-N 3.26Å; L743-C746 VanDerWaalsContact O-N 3.15Å; L743-L748 HydrophobicContact CB-CD1 4.22Å; L743-L748 HydrophobicContact CD2-CD1 3.95Å; L743-L748 WeakPolarHBondContact O-CB 3.32Å; L743-L748 PolarHBondContact O-N 2.92Å; L743-I755 HydrophobicContact CB-CD1 4.44Å
744	M	92.2	Very high	90.2	Very high	33 Å²	33	28.7 Å²	28.7	16%	0.163	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-39.2	175.5	-69.7	172.8	71.2	0	0	111.3	T740 C746 G747 L748 I755 L970 V976 I977 T980	T740-M744 HydrophobicContact CG2-CG 4.48Å; T740-M744 HydrophobicContact CG2-SD 3.96Å; T740-M744 WeakPolarHBondContact O-CB 3.39Å; T740-M744 VanDerWaalsContact O-CG 3.29Å; T740-M744 WeakPolarHBondContact O-CG 3.3Å; T740-M744 PolarHBondContact O-N 3.25Å; M744-C746 VanDerWaalsContact C-N 3.3Å; M744-C746 PolarHBondContact O-N 3.37Å; M744-G747 PolarHBondContact O-N 3.03Å; M744-L748 WeakPolarHBondContact CA-O 3.45Å; M744-I755 HydrophobicContact CG-CD1 4.29Å; M744-L970 HydrophobicContact CB-CD1 3.64Å; M744-L970 HydrophobicContact CE-CD2 4.08Å; M744-V976 HydrophobicContact CE-CG1 4.1Å; M744-I977 HydrophobicContact SD-CG1 4.35Å; M744-T980 HydrophobicContact CE-CG2 4.34Å; M744-T980 WeakPolarHBondContact CE-OG1 3.29Å; M744-T980 HydrophobicContact SD-CG2 4.21Å
745	A	92	Very high	90.4	Very high	11 Å²	11	22.4 Å²	22.4	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-26.7	176.5	0	0	0	0	0	113.9	A741 S742 L743 G747 V963 Q966 V967 L970	A741-A745 WeakPolarHBondContact O-CB 3.31Å; A741-A745 PolarHBondContact O-N 2.81Å; S742-A745 PolarHBondContact O-N 3.4Å; L743-A745 VanDerWaalsContact C-N 3.28Å; L743-A745 PolarHBondContact O-N 2.93Å; A745-G747 PolarHBondContact O-N 3.39Å; A745-V963 HydrophobicContact CB-CG1 4Å; A745-Q966 HydrophobicContact CB-CB 3.79Å; A745-Q966 HydrophobicContact CB-CG 3.68Å; A745-V967 HydrophobicContact CB-CB 4.37Å; A745-V967 HydrophobicContact CB-CG2 3.41Å; A745-V967 VanDerWaalsContact CB-CG2 3.41Å; A745-L970 HydrophobicContact CB-CD1 4.3Å
746	C	90.1	Very high	90.7	Very high	11 Å²	11	21.6 Å²	21.6	7%	0.074	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.4	170.1	-63.7	0	0	0	0	113.6	M689 Y694 S742 L743 M744	M689-C746 WeakPolarHBondContact CE-SG 3.26Å; Y694-C746 VanDerWaalsContact CD2-SG 3.6Å; Y694-C746 HydrophobicContact CE2-CB 4.09Å; Y694-C746 WeakPolarHBondContact CE2-SG 3.29Å; S742-C746 PolarHBondContact O-N 3.19Å; S742-C746 PolarHBondContact O-SG 3.27Å; L743-C746 WeakPolarHBondContact O-CB 3.16Å; L743-C746 PolarHBondContact O-N 3.26Å; L743-C746 VanDerWaalsContact O-N 3.15Å; M744-C746 VanDerWaalsContact C-N 3.3Å; M744-C746 PolarHBondContact O-N 3.37Å
747	G	89.2	Confident	90.9	Very high	40 Å²	40	23.5 Å²	23.5	41%	0.412	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	10.9	-179.4	0	0	0	0	0	114.7	Q705 M744 A745	Q705-G747 PolarHBondContact NE2-O 2.96Å; M744-G747 PolarHBondContact O-N 3.03Å; A745-G747 PolarHBondContact O-N 3.39Å
748	L	89.5	Confident	91	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	14%	0.139	C	C	.	.			trans	-82.9	125.3	175.8	-64	165.2	0	0	0	110.2	W701 L713 L715 L743 M744 I755	W701-L748 HydrophobicContact CB-CD1 4.12Å; W701-L748 HydrophobicContact CB-CD2 3.66Å; W701-L748 HydrophobicContact CE3-CD1 3.81Å; L713-L748 HydrophobicContact CD2-CD2 4.42Å; L715-L748 HydrophobicContact CD1-CB 4.42Å; L715-L748 HydrophobicContact CD1-CD1 3.89Å; L715-L748 HydrophobicContact CD1-CD2 4.28Å; L715-L748 HydrophobicContact CD1-CG 4.43Å; L743-L748 HydrophobicContact CB-CD1 4.22Å; L743-L748 HydrophobicContact CD2-CD1 3.95Å; L743-L748 WeakPolarHBondContact O-CB 3.32Å; L743-L748 PolarHBondContact O-N 2.92Å; M744-L748 WeakPolarHBondContact CA-O 3.45Å; L748-I755 HydrophobicContact CB-CD1 4.13Å; L748-I755 WeakPolarHBondContact O-CD1 3.26Å
749	G	84.4	Confident	91.1	Very high	11 Å²	11	23.4 Å²	23.4	11%	0.113	15%	0.15	C	C	.	.			trans	173.6	-177.7	-179.6	0	0	0	0	0	115.1	Q705 C753	Q705-G749 PolarHBondContact OE1-O 3.41Å; G749-C753 CarbonylContact C-O 3.56Å; G749-C753 VanDerWaalsContact C-O 3.27Å; G749-C753 VanDerWaalsContact O-CB 3.3Å; G749-C753 WeakPolarHBondContact O-CB 3.48Å; G749-C753 PolarHBondContact O-N 3.05Å
750	P	81.3	Confident	91.3	Very high	96 Å²	96	26.3 Å²	26.3	62%	0.623	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	151.7	177.5	23.2	-32.1	0	0	0	111.7
751	P	83.8	Confident	91.4	Very high	107 Å²	107	26.4 Å²	26.4	70%	0.695	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.8	-13.5	15.5	34.4	-36.1	0	0	0	115.6	R712	R712-P751 VanDerWaalsContact CZ-O 3.27Å; R712-P751 PolarHBondContact NH1-O 2.9Å; R712-P751 PolarHBondContact NH2-O 2.91Å
752	K	87	Confident	91.5	Very high	67 Å²	67	29.7 Å²	29.7	29%	0.291	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-31.8	-175.7	-82.4	-174.4	174	-168.8	0	114	Q705 D707 L713	Q705-K752 HydrophobicContact CG-CB 4.2Å; Q705-K752 WeakPolarHBondContact O-CD 3.39Å; Q705-K752 PolarHBondContact O-NZ 3Å; D707-K752 PolarHBondContact O-NZ 3.09Å; L713-K752 PolarHBondContact N-O 3.07Å
753	C	92.8	Very high	91.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.4	-178.2	-176.8	0	0	0	0	111.1	Q705 L713 L715 G749	Q705-C753 HydrophobicContact CG-CB 4.49Å; L713-C753 HydrophobicContact CB-CB 4.38Å; L713-C753 HydrophobicContact CD2-CB 4.21Å; L713-C753 HydrophobicContact CG-CB 4.48Å; L713-C753 CarbonylContact O-C 3.59Å; L713-C753 VanDerWaalsContact O-CA 3.3Å; L713-C753 WeakPolarHBondContact O-CA 3.38Å; L715-C753 WeakPolarHBondContact CD1-SG 3.44Å; G749-C753 CarbonylContact C-O 3.56Å; G749-C753 VanDerWaalsContact C-O 3.27Å; G749-C753 VanDerWaalsContact O-CB 3.3Å; G749-C753 WeakPolarHBondContact O-CB 3.48Å; G749-C753 PolarHBondContact O-N 3.05Å
754	V	94.3	Very high	91.8	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109.3	177.2	-174.8	0	0	0	0	108	L713 Y714 L715 F756 G984 E987	L713-V754 PolarHBondContact O-N 3.27Å; Y714-V754 HydrophobicContact CD1-CB 3.83Å; Y714-V754 HydrophobicContact CD1-CG1 4.19Å; Y714-V754 HydrophobicContact CD1-CG2 4.22Å; Y714-V754 HydrophobicContact CE1-CB 4.09Å; Y714-V754 HydrophobicContact CE1-CG1 4.33Å; Y714-V754 HydrophobicContact CE1-CG2 4.02Å; L715-V754 PolarHBondContact N-O 2.97Å; V754-F756 HydrophobicContact CG1-CD1 4.31Å; V754-G984 WeakPolarHBondContact CG1-O 3.2Å; V754-E987 HydrophobicContact CG1-CB 4.05Å; V754-E987 WeakPolarHBondContact CG2-OE2 3.44Å
755	I	95.1	Very high	91.9	Very high	3 Å²	3	30 Å²	30	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.1	179	-55.4	175.4	0	0	0	108.7	L715 I717 T740 L743 M744 L748 L981 G984	L715-I755 HydrophobicContact CB-CG1 4.35Å; L715-I755 WeakPolarHBondContact O-CA 3.49Å; I717-I755 HydrophobicContact CD1-CG2 4.45Å; I717-I755 HydrophobicContact CG1-CG2 4.43Å; T740-I755 HydrophobicContact CG2-CG2 4.18Å; L743-I755 HydrophobicContact CB-CD1 4.44Å; M744-I755 HydrophobicContact CG-CD1 4.29Å; L748-I755 HydrophobicContact CB-CD1 4.13Å; L748-I755 WeakPolarHBondContact O-CD1 3.26Å; I755-L981 HydrophobicContact CG2-CD2 4.3Å; I755-G984 WeakPolarHBondContact O-CA 3.42Å
756	F	95.6	Very high	92	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157.6	-178	64.6	-82.3	0	0	0	111.7	M680 Y714 L715 C716 I717 V754 V761 H764 Y816 A985 A988	M680-F756 HydrophobicContact CE-CZ 4.28Å; Y714-F756 HydrophobicContact CD1-CE1 4.4Å; L715-F756 PolarHBondContact O-N 3.12Å; L715-F756 VanDerWaalsContact O-N 3.16Å; C716-F756 CarbonylContact C-O 3.56Å; C716-F756 WeakPolarHBondContact CA-O 3.49Å; C716-F756 HydrophobicContact CB-CD2 4.38Å; C716-F756 HydrophobicContact CB-CE1 4.14Å; C716-F756 HydrophobicContact CB-CE2 3.66Å; C716-F756 HydrophobicContact CB-CZ 3.52Å; I717-F756 PolarHBondContact N-O 3.41Å; V754-F756 HydrophobicContact CG1-CD1 4.31Å; F756-V761 HydrophobicContact CD2-CG2 3.99Å; F756-V761 HydrophobicContact CE2-CG2 4.38Å; F756-H764 AromaticContact CE2-NE2 3.74Å; F756-Y816 HydrophobicContact CE1-CE2 4.48Å; F756-Y816 HydrophobicContact CE2-CE2 4.44Å; F756-Y816 AromaticContact CE2-CZ 3.97Å; F756-Y816 WeakPolarHBondContact CE2-OH 3.25Å; F756-Y816 HydrophobicContact CZ-CE1 4.22Å; F756-Y816 AromaticContact CZ-CE2 3.67Å; F756-Y816 HydrophobicContact CZ-CE2 3.67Å; F756-Y816 AromaticContact CZ-CZ 3.37Å; F756-Y816 WeakPolarHBondContact CZ-OH 3.49Å; F756-A985 HydrophobicContact CB-CB 4.33Å; F756-A988 HydrophobicContact CB-CB 4.5Å; F756-A988 HydrophobicContact CD1-CB 3.73Å; F756-A988 HydrophobicContact CD2-CB 4.06Å; F756-A988 HydrophobicContact CE1-CB 3.9Å; F756-A988 HydrophobicContact CE2-CB 4.24Å; F756-A988 HydrophobicContact CG-CB 3.82Å; F756-A988 HydrophobicContact CZ-CB 4.16Å
757	Q	95.4	Very high	92.2	Very high	48 Å²	48	32.6 Å²	32.6	22%	0.224	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.6	173.6	180	176.1	-2.2	0	0	109.9	D719 S759 S760 L981	D719-Q757 WeakPolarHBondContact OD2-CG 3.44Å; D719-Q757 PolarHBondContact OD2-NE2 3.42Å; Q757-S759 PolarHBondContact NE2-OG 3.13Å; Q757-S759 PolarHBondContact O-N 2.87Å; Q757-S760 WeakPolarHBondContact O-CB 3.36Å; Q757-S760 PolarHBondContact O-N 2.98Å; Q757-L981 HydrophobicContact CB-CD2 4.44Å
758	Q	95.3	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60	-47.8	-174	-179.5	-167	14.5	0	0	111.7	I717 A718 D719 L720 H721 S760 V761 H764 D812	I717-Q758 VanDerWaalsContact O-CB 3.3Å; I717-Q758 WeakPolarHBondContact O-CB 3.4Å; I717-Q758 PolarHBondContact O-N 3.15Å; A718-Q758 VanDerWaalsContact CA-OE1 3.23Å; D719-Q758 WeakPolarHBondContact OD1-CB 3.11Å; L720-Q758 HydrophobicContact CD1-CG 4.07Å; L720-Q758 HydrophobicContact CG-CG 4.32Å; H721-Q758 PolarHBondContact CD2-NE2 3.19Å; H721-Q758 PolarHBondContact CD2-OE1 3.32Å; Q758-S760 PolarHBondContact O-N 3.3Å; Q758-V761 PolarHBondContact O-N 2.89Å; Q758-H764 PolarHBondContact O-CD2 3.43Å; Q758-H764 VanDerWaalsContact O-CD2 3.28Å; Q758-D812 PolarHBondContact NE2-OD1 3.34Å; Q758-D812 PolarHBondContact NE2-OD2 3.22Å; Q758-D812 VanDerWaalsContact NE2-OD2 3.13Å
759	S	93.9	Very high	92.8	Very high	53 Å²	53	42.9 Å²	42.9	37%	0.371	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-63.9	-21.9	179.9	65.3	0	0	0	0	114.9	D719 Q757 V761	D719-S759 PolarHBondContact OD1-N 2.96Å; D719-S759 WeakPolarHBondContact OD2-CB 3.29Å; D719-S759 PolarHBondContact OD2-OG 3.2Å; Q757-S759 PolarHBondContact NE2-OG 3.13Å; Q757-S759 PolarHBondContact O-N 2.87Å; S759-V761 PolarHBondContact O-N 3.26Å
760	S	94.4	Very high	93.3	Very high	61 Å²	61	43.1 Å²	43.1	43%	0.427	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-72	-14.4	177.7	-55.3	0	0	0	0	113.3	Q757 Q758	Q757-S760 WeakPolarHBondContact O-CB 3.36Å; Q757-S760 PolarHBondContact O-N 2.98Å; Q758-S760 PolarHBondContact O-N 3.3Å
761	V	95.7	Very high	93.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.212	C	C	.	.			trans	-109.6	99.4	176.7	-180	0	0	0	0	109.2	F756 Q758 S759 C763 H764 A985 A988 E989 A992	F756-V761 HydrophobicContact CD2-CG2 3.99Å; F756-V761 HydrophobicContact CE2-CG2 4.38Å; Q758-V761 PolarHBondContact O-N 2.89Å; S759-V761 PolarHBondContact O-N 3.26Å; V761-C763 HydrophobicContact CG1-CB 4.03Å; V761-C763 PolarHBondContact O-N 3.38Å; V761-H764 PolarHBondContact O-CD2 3.34Å; V761-H764 VanDerWaalsContact O-CD2 3.22Å; V761-H764 PolarHBondContact O-N 3Å; V761-A985 HydrophobicContact CG2-CB 4.39Å; V761-A988 HydrophobicContact CG2-CB 4.22Å; V761-E989 HydrophobicContact CG1-CB 4.38Å; V761-E989 HydrophobicContact CG2-CB 4.49Å; V761-A992 HydrophobicContact CG1-CB 3.95Å
762	S	94.6	Very high	94.4	Very high	69 Å²	69	35 Å²	35	48%	0.483	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.5	-175.1	67.8	0	0	0	0	114.4	H764 G765 N766	S762-H764 PolarHBondContact O-N 2.9Å; S762-G765 PolarHBondContact O-N 2.99Å; S762-N766 PolarHBondContact O-ND2 3.42Å; S762-N766 VanDerWaalsContact O-ND2 3.17Å
763	C	95.9	Very high	94.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.1	-29.4	177.1	-55.6	0	0	0	0	113.1	V761 G765 N766 M767 L815 A992 L996	V761-C763 HydrophobicContact CG1-CB 4.03Å; V761-C763 PolarHBondContact O-N 3.38Å; C763-G765 PolarHBondContact O-N 3.04Å; C763-N766 PolarHBondContact O-N 3.41Å; C763-M767 WeakPolarHBondContact O-CB 3.36Å; C763-M767 PolarHBondContact O-N 3.29Å; C763-L815 HydrophobicContact CB-CD1 4.11Å; C763-L815 HydrophobicContact CB-CD2 3.95Å; C763-A992 HydrophobicContact CB-CB 3.75Å; C763-L996 HydrophobicContact CB-CD2 4.1Å
764	H	95.7	Very high	94.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-58.6	-47.5	178.1	-72.9	-65.6	0	0	0	112.3	F756 Q758 V761 S762 Y768 D812 L815 Y816	F756-H764 AromaticContact CE2-NE2 3.74Å; Q758-H764 PolarHBondContact O-CD2 3.43Å; Q758-H764 VanDerWaalsContact O-CD2 3.28Å; V761-H764 PolarHBondContact O-CD2 3.34Å; V761-H764 VanDerWaalsContact O-CD2 3.22Å; V761-H764 PolarHBondContact O-N 3Å; S762-H764 PolarHBondContact O-N 2.9Å; H764-Y768 WeakPolarHBondContact O-CB 3.48Å; H764-Y768 PolarHBondContact O-N 3.18Å; H764-D812 IonicContact CE1-OD1 3.53Å; H764-D812 IonicContact CG-OD1 3.84Å; H764-D812 IonicContact ND1-OD1 2.63Å; H764-D812 PolarHBondContact ND1-OD1 3.19Å; H764-L815 HydrophobicContact CB-CD1 4.41Å; H764-L815 WeakPolarHBondContact ND1-CD1 3.47Å; H764-Y816 AromaticContact CE1-CE2 3.73Å; H764-Y816 PolarHBondContact NE2-OH 3.18Å
765	G	93.7	Very high	94.4	Very high	39 Å²	39	38.9 Å²	38.9	40%	0.402	22%	0.221	S	C	.	.	H	α-helix	trans	-65.8	-41.6	178.6	0	0	0	0	0	112.9	S762 C763 Y768 W769	S762-G765 PolarHBondContact O-N 2.99Å; C763-G765 PolarHBondContact O-N 3.04Å; G765-Y768 WeakPolarHBondContact O-CB 3.41Å; G765-Y768 PolarHBondContact O-N 3.42Å; G765-W769 PolarHBondContact O-N 2.88Å; G765-W769 VanDerWaalsContact O-N 3.09Å
766	N	94	Very high	94.1	Very high	78 Å²	78	42.2 Å²	42.2	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-47.1	177.6	-77	-74.8	0	0	0	112	S762 C763 Y768 W769 L770 L996	S762-N766 PolarHBondContact O-ND2 3.42Å; S762-N766 VanDerWaalsContact O-ND2 3.17Å; C763-N766 PolarHBondContact O-N 3.41Å; N766-Y768 VanDerWaalsContact C-N 3.34Å; N766-W769 PolarHBondContact O-N 2.99Å; N766-L770 WeakPolarHBondContact O-CG 3.43Å; N766-L770 PolarHBondContact O-N 2.64Å; N766-L770 VanDerWaalsContact O-N 3.12Å; N766-L996 HydrophobicContact CB-CD1 4.04Å; N766-L996 HydrophobicContact CB-CD2 3.67Å
767	M	95.4	Very high	93.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-42	176.4	-179.7	68.2	86.8	0	0	111	C763 W769 L770 L771 A811 L815 F850 T995 L996 L999	C763-M767 WeakPolarHBondContact O-CB 3.36Å; C763-M767 PolarHBondContact O-N 3.29Å; M767-W769 VanDerWaalsContact C-N 3.32Å; M767-W769 PolarHBondContact O-N 3.5Å; M767-L770 PolarHBondContact O-N 2.89Å; M767-L771 HydrophobicContact CG-CD1 3.96Å; M767-L771 HydrophobicContact CG-CG 4.09Å; M767-L771 WeakPolarHBondContact O-CB 3.39Å; M767-L771 WeakPolarHBondContact O-CG 3.37Å; M767-L771 PolarHBondContact O-N 3.36Å; M767-L771 HydrophobicContact SD-CD1 4.32Å; M767-L771 HydrophobicContact SD-CD2 4.25Å; M767-L771 HydrophobicContact SD-CG 4.02Å; M767-A811 HydrophobicContact CB-CB 3.88Å; M767-A811 HydrophobicContact CG-CB 3.58Å; M767-L815 HydrophobicContact CB-CD1 3.98Å; M767-L815 HydrophobicContact CB-CD2 4Å; M767-L815 HydrophobicContact CB-CG 3.98Å; M767-L815 HydrophobicContact CE-CD2 3.59Å; M767-L815 HydrophobicContact CE-CG 3.94Å; M767-L815 HydrophobicContact CG-CD1 4.41Å; M767-L815 HydrophobicContact CG-CD2 4.28Å; M767-L815 HydrophobicContact CG-CG 4.01Å; M767-F850 HydrophobicContact CE-CE1 3.89Å; M767-F850 HydrophobicContact CE-CZ 3.98Å; M767-T995 HydrophobicContact CE-CG2 4.17Å; M767-L996 HydrophobicContact CB-CD1 4.33Å; M767-L999 HydrophobicContact CE-CD2 4.13Å; M767-L999 HydrophobicContact SD-CD2 3.49Å; M767-L999 WeakPolarHBondContact SD-CD2 3.43Å
768	Y	95.8	Very high	93.4	Very high	69 Å²	69	47.9 Å²	47.9	27%	0.271	28%	0.276	S	S	.	.	H	α-helix	trans	-54.3	-46.9	175.2	164	-105.9	0	0	0	112.2	H764 G765 N766 G772 T804 V807 L808	H764-Y768 WeakPolarHBondContact O-CB 3.48Å; H764-Y768 PolarHBondContact O-N 3.18Å; G765-Y768 WeakPolarHBondContact O-CB 3.41Å; G765-Y768 PolarHBondContact O-N 3.42Å; N766-Y768 VanDerWaalsContact C-N 3.34Å; Y768-G772 PolarHBondContact O-N 3Å; Y768-T804 WeakPolarHBondContact OH-CB 3.28Å; Y768-T804 PolarHBondContact OH-OG1 3.14Å; Y768-V807 HydrophobicContact CD2-CB 3.97Å; Y768-V807 HydrophobicContact CD2-CG1 3.88Å; Y768-V807 HydrophobicContact CE2-CB 3.89Å; Y768-V807 HydrophobicContact CE2-CG1 4.15Å; Y768-L808 HydrophobicContact CD2-CB 3.78Å; Y768-L808 HydrophobicContact CD2-CD1 4.34Å; Y768-L808 HydrophobicContact CE2-CB 4.17Å; Y768-L808 HydrophobicContact CG-CB 4.49Å; Y768-L808 HydrophobicContact CG-CD1 4.22Å
769	W	94.6	Very high	93	Very high	190 Å²	190	50.4 Å²	50.4	72%	0.72	29%	0.288	S	S	*	.	H	α-helix	trans	-60.9	-49.6	176.4	-179.8	-102.4	0	0	0	111.8	G765 N766 M767 L771 G772 T773	G765-W769 PolarHBondContact O-N 2.88Å; G765-W769 VanDerWaalsContact O-N 3.09Å; N766-W769 PolarHBondContact O-N 2.99Å; M767-W769 VanDerWaalsContact C-N 3.32Å; M767-W769 PolarHBondContact O-N 3.5Å; W769-L771 PolarHBondContact O-N 3.38Å; W769-G772 PolarHBondContact O-N 3.1Å; W769-G772 VanDerWaalsContact O-N 3.16Å; W769-T773 PolarHBondContact O-N 2.86Å
770	L	94.2	Very high	92.8	Very high	15 Å²	15	48.4 Å²	48.4	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-48.5	179.6	-67.5	175.2	0	0	0	111.4	N766 M767 G772 T773 F774 L996 L999 K1000 L1005	N766-L770 WeakPolarHBondContact O-CG 3.43Å; N766-L770 PolarHBondContact O-N 2.64Å; N766-L770 VanDerWaalsContact O-N 3.12Å; M767-L770 PolarHBondContact O-N 2.89Å; L770-G772 VanDerWaalsContact C-N 3.3Å; L770-G772 PolarHBondContact O-N 3.39Å; L770-T773 PolarHBondContact O-N 3.16Å; L770-T773 PolarHBondContact O-OG1 3.41Å; L770-F774 WeakPolarHBondContact O-CD2 3.46Å; L770-F774 WeakPolarHBondContact O-CE2 3.05Å; L770-L996 HydrophobicContact CD1-CD1 3.79Å; L770-L999 HydrophobicContact CB-CD2 4.09Å; L770-L999 HydrophobicContact CD1-CD2 3.78Å; L770-L999 HydrophobicContact CD1-CG 4.19Å; L770-K1000 HydrophobicContact CD1-CG 4.44Å; L770-L1005 HydrophobicContact CD2-CD1 3.69Å
771	L	94.9	Very high	92.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-36.5	177.3	-67	-175.9	0	0	0	112.4	M767 W769 T773 F774 V775 V807 A810 A811 L814 L841	M767-L771 HydrophobicContact CG-CD1 3.96Å; M767-L771 HydrophobicContact CG-CG 4.09Å; M767-L771 WeakPolarHBondContact O-CB 3.39Å; M767-L771 WeakPolarHBondContact O-CG 3.37Å; M767-L771 PolarHBondContact O-N 3.36Å; M767-L771 HydrophobicContact SD-CD1 4.32Å; M767-L771 HydrophobicContact SD-CD2 4.25Å; M767-L771 HydrophobicContact SD-CG 4.02Å; W769-L771 PolarHBondContact O-N 3.38Å; L771-T773 PolarHBondContact O-N 2.83Å; L771-F774 PolarHBondContact O-N 2.98Å; L771-V775 PolarHBondContact O-N 3.46Å; L771-V807 HydrophobicContact CB-CG1 3.74Å; L771-A810 HydrophobicContact CD1-CB 3.94Å; L771-A811 HydrophobicContact CD1-CB 3.98Å; L771-L814 HydrophobicContact CD1-CD1 4.14Å; L771-L814 HydrophobicContact CD2-CD1 4.18Å; L771-L841 HydrophobicContact CD2-CD1 3.49Å; L771-L841 VanDerWaalsContact CD2-CD1 3.49Å
772	G	93.3	Very high	91.8	Very high	33 Å²	33	55.9 Å²	55.9	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-56.3	-33.2	176.3	0	0	0	0	0	113.1	Y768 W769 L770 F774 V775	Y768-G772 PolarHBondContact O-N 3Å; W769-G772 PolarHBondContact O-N 3.1Å; W769-G772 VanDerWaalsContact O-N 3.16Å; L770-G772 VanDerWaalsContact C-N 3.3Å; L770-G772 PolarHBondContact O-N 3.39Å; G772-F774 PolarHBondContact O-N 3.33Å; G772-V775 PolarHBondContact O-N 3.16Å
773	T	91.8	Very high	91.3	Very high	90 Å²	90	53.4 Å²	53.4	55%	0.552	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.6	176.2	71.7	0	0	0	0	114.3	W769 L770 L771	W769-T773 PolarHBondContact O-N 2.86Å; L770-T773 PolarHBondContact O-N 3.16Å; L770-T773 PolarHBondContact O-OG1 3.41Å; L771-T773 PolarHBondContact O-N 2.83Å
774	F	90.8	Very high	90.6	Very high	46 Å²	46	56 Å²	56	20%	0.202	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-7.5	179.2	-65.8	-80.9	0	0	0	113.9	L770 L771 G772 L837 L841 Y845	L770-F774 WeakPolarHBondContact O-CD2 3.46Å; L770-F774 WeakPolarHBondContact O-CE2 3.05Å; L771-F774 PolarHBondContact O-N 2.98Å; G772-F774 PolarHBondContact O-N 3.33Å; F774-L837 HydrophobicContact CB-CD2 3.89Å; F774-L841 HydrophobicContact CD1-CD2 4.07Å; F774-L841 HydrophobicContact CD2-CD2 3.75Å; F774-L841 HydrophobicContact CE1-CD2 3.86Å; F774-L841 HydrophobicContact CE2-CD2 3.53Å; F774-L841 HydrophobicContact CG-CD2 4.04Å; F774-L841 HydrophobicContact CZ-CD2 3.59Å; F774-Y845 HydrophobicContact CE1-CE2 4.32Å; F774-Y845 AromaticContact CZ-CE2 3.88Å; F774-Y845 HydrophobicContact CZ-CE2 3.88Å; F774-Y845 WeakPolarHBondContact CZ-OH 3.4Å
775	V	91.6	Very high	89.8	Confident	20 Å²	20	56.9 Å²	56.9	12%	0.121	30%	0.302	C	S	.	.			trans	-100.8	134.3	-178.2	179	0	0	0	0	109.3	L771 G772 Q779 L780 V807 L837	L771-V775 PolarHBondContact O-N 3.46Å; G772-V775 PolarHBondContact O-N 3.16Å; V775-Q779 HydrophobicContact CG1-CB 4.37Å; V775-L780 HydrophobicContact CG1-CD1 3.9Å; V775-L780 HydrophobicContact CG1-CD2 3.87Å; V775-L780 HydrophobicContact CG1-CG 3.61Å; V775-V807 HydrophobicContact CB-CG2 4.35Å; V775-V807 HydrophobicContact CG1-CG2 4.32Å; V775-V807 HydrophobicContact CG2-CG2 4.01Å; V775-L837 HydrophobicContact CG2-CD1 3.77Å; V775-L837 HydrophobicContact CG2-CD2 3.5Å; V775-L837 HydrophobicContact CG2-CG 4.15Å
776	T	90.1	Very high	89.3	Confident	73 Å²	73	58 Å²	58	45%	0.448	30%	0.295	S	S	.	.			trans	-95.9	150.6	175.4	66	0	0	0	0	111.6	Q779	T776-Q779 WeakPolarHBondContact O-CB 3.47Å; T776-Q779 PolarHBondContact O-N 3.49Å; T776-Q779 VanDerWaalsContact OG1-CG 3.3Å; T776-Q779 WeakPolarHBondContact OG1-CG 3.32Å
777	L	88.8	Confident	88.7	Confident	102 Å²	102	61.1 Å²	61.1	53%	0.534	30%	0.301	S	S	.	.	H	α-helix	trans	-52.4	-44.6	-179.3	-142.7	158.8	0	0	0	113.2	Q779 L780 Q781 F803	L777-Q779 VanDerWaalsContact C-N 3.31Å; L777-Q779 PolarHBondContact O-N 3Å; L777-L780 PolarHBondContact O-N 3.11Å; L777-Q781 VanDerWaalsContact CD2-CD 3.43Å; L777-Q781 HydrophobicContact CD2-CG 3.84Å; L777-Q781 PolarHBondContact O-N 3.3Å; L777-Q781 VanDerWaalsContact O-N 3.13Å; L777-F803 HydrophobicContact CD2-CE1 4.18Å; L777-F803 HydrophobicContact CD2-CZ 3.66Å; L777-F803 HydrophobicContact CG-CE1 4.15Å; L777-F803 HydrophobicContact CG-CZ 4.03Å
778	P	87.6	Confident	87.9	Confident	64 Å²	64	67 Å²	67	42%	0.416	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-34.8	176.5	-25.3	36.2	0	0	0	113.7	L780 Q781 H782	P778-L780 PolarHBondContact O-N 3.25Å; P778-Q781 PolarHBondContact O-N 3.33Å; P778-H782 PolarHBondContact O-CD2 3.38Å; P778-H782 PolarHBondContact O-N 3.12Å; P778-H782 VanDerWaalsContact O-N 3.15Å
779	Q	86.2	Confident	87.1	Confident	53 Å²	53	67.1 Å²	67.1	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-36.5	-179.7	-70.3	173	-0.8	0	0	112	V775 T776 L777	V775-Q779 HydrophobicContact CG1-CB 4.37Å; T776-Q779 WeakPolarHBondContact O-CB 3.47Å; T776-Q779 PolarHBondContact O-N 3.49Å; T776-Q779 VanDerWaalsContact OG1-CG 3.3Å; T776-Q779 WeakPolarHBondContact OG1-CG 3.32Å; L777-Q779 VanDerWaalsContact C-N 3.31Å; L777-Q779 PolarHBondContact O-N 3Å
780	L	89.2	Confident	86.5	Confident	11 Å²	11	59 Å²	59	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-79.2	-37.9	176.8	-63.7	178.3	0	0	0	112	V775 L777 P778 H782 L783 F803 P806 V807 L833	V775-L780 HydrophobicContact CG1-CD1 3.9Å; V775-L780 HydrophobicContact CG1-CD2 3.87Å; V775-L780 HydrophobicContact CG1-CG 3.61Å; L777-L780 PolarHBondContact O-N 3.11Å; P778-L780 PolarHBondContact O-N 3.25Å; L780-H782 VanDerWaalsContact C-N 3.25Å; L780-H782 PolarHBondContact O-N 3.29Å; L780-L783 HydrophobicContact CD2-CD1 4.04Å; L780-L783 WeakPolarHBondContact O-CB 3.46Å; L780-L783 PolarHBondContact O-N 2.91Å; L780-L783 VanDerWaalsContact O-N 3.12Å; L780-F803 HydrophobicContact CB-CD2 4.22Å; L780-F803 HydrophobicContact CB-CE1 4.04Å; L780-F803 HydrophobicContact CB-CE2 3.55Å; L780-F803 HydrophobicContact CB-CZ 3.44Å; L780-F803 VanDerWaalsContact CB-CZ 3.44Å; L780-F803 HydrophobicContact CD1-CD1 4.22Å; L780-F803 HydrophobicContact CD1-CE1 3.83Å; L780-F803 HydrophobicContact CD1-CZ 4.12Å; L780-F803 HydrophobicContact CG-CZ 4.4Å; L780-P806 HydrophobicContact CD2-CB 4.11Å; L780-P806 HydrophobicContact CD2-CG 4.39Å; L780-V807 HydrophobicContact CD1-CG2 4.15Å; L780-V807 HydrophobicContact CD2-CG2 4.1Å; L780-L833 HydrophobicContact CD2-CD2 3.91Å
781	Q	87.2	Confident	85.9	Confident	90 Å²	90	63.3 Å²	63.3	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-24.7	179	-74.7	179.1	-26.9	0	0	114.5	L777 P778 L783 R787 F803	L777-Q781 VanDerWaalsContact CD2-CD 3.43Å; L777-Q781 HydrophobicContact CD2-CG 3.84Å; L777-Q781 PolarHBondContact O-N 3.3Å; L777-Q781 VanDerWaalsContact O-N 3.13Å; P778-Q781 PolarHBondContact O-N 3.33Å; Q781-L783 VanDerWaalsContact C-N 3.33Å; Q781-R787 PolarHBondContact O-NE 3.03Å; Q781-R787 VanDerWaalsContact O-NE 3.16Å; Q781-F803 HydrophobicContact CB-CE2 4.47Å; Q781-F803 HydrophobicContact CG-CE2 3.67Å; Q781-F803 HydrophobicContact CG-CZ 3.94Å
782	H	82.5	Confident	85	Confident	130 Å²	130	71.2 Å²	71.2	60%	0.602	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-9.9	176.5	-71.9	-60.2	0	0	0	113.7	P778 L780 T784	P778-H782 PolarHBondContact O-CD2 3.38Å; P778-H782 PolarHBondContact O-N 3.12Å; P778-H782 VanDerWaalsContact O-N 3.15Å; L780-H782 VanDerWaalsContact C-N 3.25Å; L780-H782 PolarHBondContact O-N 3.29Å; H782-T784 PolarHBondContact O-N 3.1Å
783	L	84.4	Confident	84.3	Confident	18 Å²	18	73.8 Å²	73.8	9%	0.094	37%	0.365	C	S	.	.			trans	-70.8	125.3	177.3	-63.6	175.1	0	0	0	110.3	L780 Q781 H785 Y786 P806 Q829 L833	L780-L783 HydrophobicContact CD2-CD1 4.04Å; L780-L783 WeakPolarHBondContact O-CB 3.46Å; L780-L783 PolarHBondContact O-N 2.91Å; L780-L783 VanDerWaalsContact O-N 3.12Å; Q781-L783 VanDerWaalsContact C-N 3.33Å; L783-H785 VanDerWaalsContact C-N 3.31Å; L783-H785 PolarHBondContact O-N 3.43Å; L783-Y786 PolarHBondContact O-N 3.36Å; L783-P806 HydrophobicContact CD1-CB 3.85Å; L783-P806 HydrophobicContact CD1-CG 3.68Å; L783-Q829 HydrophobicContact CD2-CB 4.13Å; L783-L833 HydrophobicContact CD1-CD2 4.34Å
784	T	81.8	Confident	83.1	Confident	53 Å²	53	79 Å²	79	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-57.4	-41.4	-177.2	49.3	0	0	0	0	112.7	H782 Y786 R787 E788 Q829	H782-T784 PolarHBondContact O-N 3.1Å; T784-Y786 VanDerWaalsContact C-N 3.32Å; T784-Y786 PolarHBondContact O-N 3.27Å; T784-R787 PolarHBondContact O-N 2.74Å; T784-R787 VanDerWaalsContact O-N 3.11Å; T784-E788 PolarHBondContact O-N 3.05Å; T784-Q829 PolarHBondContact OG1-NE2 3.12Å; T784-Q829 PolarHBondContact OG1-OE1 3.16Å
785	H	78.1	Confident	82.5	Confident	21 Å²	21	83.6 Å²	83.6	10%	0.097	41%	0.407	C	S	.	.	H	α-helix	trans	-56.3	-40.5	178.6	-78.5	-87.9	0	0	0	114.1	L783 E788 K789 Y805 D826 H830	L783-H785 VanDerWaalsContact C-N 3.31Å; L783-H785 PolarHBondContact O-N 3.43Å; H785-E788 PolarHBondContact O-N 3.34Å; H785-K789 WeakPolarHBondContact O-CB 3.34Å; H785-K789 WeakPolarHBondContact O-CG 3.49Å; H785-K789 PolarHBondContact O-N 2.88Å; H785-Y805 WeakPolarHBondContact CB-OH 3.32Å; H785-D826 PolarHBondContact NE2-O 3.11Å; H785-H830 AromaticContact CD2-CE1 3.16Å; H785-H830 PolarHBondContact CD2-CE1 3.12Å; H785-H830 AromaticContact CD2-NE2 3.79Å; H785-H830 AromaticContact CG-CE1 3.49Å; H785-H830 VanDerWaalsContact CG-CE1 3.49Å; H785-H830 AromaticContact CG-NE2 3.96Å; H785-H830 AromaticContact NE2-CE1 3.62Å
786	Y	83.5	Confident	81.7	Confident	62 Å²	62	85.4 Å²	85.4	24%	0.243	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-46	178.2	172.1	-106.9	0	0	0	110.2	L783 T784 E788 K789 A790 V798 F803	L783-Y786 PolarHBondContact O-N 3.36Å; T784-Y786 VanDerWaalsContact C-N 3.32Å; T784-Y786 PolarHBondContact O-N 3.27Å; Y786-E788 PolarHBondContact O-N 3.29Å; Y786-K789 PolarHBondContact O-N 2.77Å; Y786-A790 HydrophobicContact CE2-CB 4.48Å; Y786-A790 WeakPolarHBondContact O-CB 3.4Å; Y786-A790 PolarHBondContact O-N 2.92Å; Y786-V798 HydrophobicContact CE2-CG1 3.81Å; Y786-F803 HydrophobicContact CD1-CD2 4.13Å; Y786-F803 HydrophobicContact CD1-CE2 4.49Å; Y786-F803 HydrophobicContact CD2-CB 4.07Å; Y786-F803 AromaticContact CD2-CD2 3.76Å; Y786-F803 HydrophobicContact CD2-CD2 3.76Å; Y786-F803 HydrophobicContact CD2-CG 4.43Å; Y786-F803 HydrophobicContact CE1-CD2 4.02Å; Y786-F803 HydrophobicContact CE1-CE2 4.38Å; Y786-F803 HydrophobicContact CE2-CB 3.77Å; Y786-F803 AromaticContact CE2-CD2 3.63Å; Y786-F803 HydrophobicContact CE2-CD2 3.63Å; Y786-F803 HydrophobicContact CE2-CG 4.15Å; Y786-F803 HydrophobicContact CG-CD2 4.01Å; Y786-F803 AromaticContact CZ-CD2 3.76Å
787	R	80.4	Confident	81.2	Confident	144 Å²	144	88.2 Å²	88.2	54%	0.543	44%	0.441	S	S	.	.	H	α-helix	trans	-62.4	-43.5	179.3	-62.3	-178.9	-179.5	-165.9	-6.3	112	Q781 T784 T791	Q781-R787 PolarHBondContact O-NE 3.03Å; Q781-R787 VanDerWaalsContact O-NE 3.16Å; T784-R787 PolarHBondContact O-N 2.74Å; T784-R787 VanDerWaalsContact O-N 3.11Å; R787-T791 VanDerWaalsContact O-CG2 3.23Å; R787-T791 WeakPolarHBondContact O-CG2 3.49Å; R787-T791 PolarHBondContact O-N 2.87Å
788	E	80.1	Confident	80.9	Confident	124 Å²	124	85 Å²	85	58%	0.579	43%	0.426	S	S	*	.	H	α-helix	trans	-68.7	-36.3	179.4	-71.2	176.7	-169.3	0	0	113.7	T784 H785 Y786 T791	T784-E788 PolarHBondContact O-N 3.05Å; H785-E788 PolarHBondContact O-N 3.34Å; Y786-E788 PolarHBondContact O-N 3.29Å; E788-T791 PolarHBondContact O-OG1 3.43Å
789	K	78.1	Confident	80.7	Confident	70 Å²	70	84.5 Å²	84.5	30%	0.304	42%	0.423	S	S	.	.	H	α-helix	trans	-82.9	-32.2	177.8	-66	-174.4	-176.7	178.1	0	112	H785 Y786 T791 K792 L802	H785-K789 WeakPolarHBondContact O-CB 3.34Å; H785-K789 WeakPolarHBondContact O-CG 3.49Å; H785-K789 PolarHBondContact O-N 2.88Å; Y786-K789 PolarHBondContact O-N 2.77Å; K789-T791 PolarHBondContact O-N 2.84Å; K789-K792 WeakPolarHBondContact O-CB 3.42Å; K789-K792 PolarHBondContact O-N 2.96Å; K789-K792 VanDerWaalsContact O-N 3.16Å; K789-L802 HydrophobicContact CB-CD1 3.99Å; K789-L802 HydrophobicContact CB-CD2 3.78Å; K789-L802 HydrophobicContact CB-CG 4.23Å; K789-L802 HydrophobicContact CD-CD1 3.61Å; K789-L802 HydrophobicContact CG-CD1 4.48Å
790	A	82.2	Confident	80.8	Confident	19 Å²	19	88 Å²	88	16%	0.157	44%	0.443	C	S	.	.	H	α-helix	trans	-61.2	-31.7	176.4	0	0	0	0	0	112.2	Y786 K792 Y793 V798	Y786-A790 HydrophobicContact CE2-CB 4.48Å; Y786-A790 WeakPolarHBondContact O-CB 3.4Å; Y786-A790 PolarHBondContact O-N 2.92Å; A790-K792 PolarHBondContact O-N 3.26Å; A790-K792 VanDerWaalsContact O-N 3.1Å; A790-Y793 PolarHBondContact O-N 2.98Å; A790-V798 HydrophobicContact CB-CG1 4.34Å; A790-V798 HydrophobicContact CB-CG2 3.87Å
791	T	80.9	Confident	80.7	Confident	107 Å²	107	89.3 Å²	89.3	66%	0.656	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.6	177.3	60.2	0	0	0	0	114	R787 E788 K789 Y793	R787-T791 VanDerWaalsContact O-CG2 3.23Å; R787-T791 WeakPolarHBondContact O-CG2 3.49Å; R787-T791 PolarHBondContact O-N 2.87Å; E788-T791 PolarHBondContact O-OG1 3.43Å; K789-T791 PolarHBondContact O-N 2.84Å; T791-Y793 VanDerWaalsContact C-N 3.31Å
792	K	75.5	Confident	80.6	Confident	165 Å²	165	85.4 Å²	85.4	72%	0.717	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.1	173.3	-64.2	-174.5	177.7	-174.7	0	112.7	K789 A790 K794	K789-K792 WeakPolarHBondContact O-CB 3.42Å; K789-K792 PolarHBondContact O-N 2.96Å; K789-K792 VanDerWaalsContact O-N 3.16Å; A790-K792 PolarHBondContact O-N 3.26Å; A790-K792 VanDerWaalsContact O-N 3.1Å; K792-K794 PolarHBondContact O-N 2.83Å
793	Y	79	Confident	81	Confident	87 Å²	87	80.5 Å²	80.5	34%	0.341	42%	0.417	S	S	.	.			trans	-96.4	79.7	-179.6	-61.9	-91.6	0	0	0	109.4	A790 T791 D795 G796 V798 P799 L802	A790-Y793 PolarHBondContact O-N 2.98Å; T791-Y793 VanDerWaalsContact C-N 3.31Å; Y793-D795 PolarHBondContact O-N 2.85Å; Y793-D795 VanDerWaalsContact O-N 3.1Å; Y793-G796 PolarHBondContact O-N 3.16Å; Y793-V798 HydrophobicContact CD2-CG2 4.46Å; Y793-V798 HydrophobicContact CG-CG2 4.43Å; Y793-P799 HydrophobicContact CE1-CG 3.89Å; Y793-L802 HydrophobicContact CD2-CD2 4.34Å; Y793-L802 HydrophobicContact CE2-CD2 3.86Å
794	K	67.8	Low	81.3	Confident	199 Å²	199	80.7 Å²	80.7	87%	0.865	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.5	-174.6	-68.3	-175.8	179.2	178.7	0	114	K792 G796	K792-K794 PolarHBondContact O-N 2.83Å; K794-G796 VanDerWaalsContact C-N 3.27Å; K794-G796 PolarHBondContact O-N 2.92Å
795	D	76.7	Confident	81.8	Confident	144 Å²	144	79.1 Å²	79.1	77%	0.77	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1.8	-177.9	-50.7	-30.6	0	0	0	113.2	Y793 N797	Y793-D795 PolarHBondContact O-N 2.85Å; Y793-D795 VanDerWaalsContact O-N 3.1Å; D795-N797 PolarHBondContact O-N 2.98Å
796	G	75	Confident	82.5	Confident	57 Å²	57	78.3 Å²	78.3	59%	0.588	40%	0.404	S	S	*	.	S	Bend	trans	76.2	-7.4	-176.8	0	0	0	0	0	114.8	Y793 K794 V798	Y793-G796 PolarHBondContact O-N 3.16Å; K794-G796 VanDerWaalsContact C-N 3.27Å; K794-G796 PolarHBondContact O-N 2.92Å; G796-V798 PolarHBondContact O-N 2.93Å
797	N	80.2	Confident	83	Confident	132 Å²	132	75.5 Å²	75.5	71%	0.706	39%	0.393	S	S	*	.			trans	-74.8	64.8	176.7	-73	-25.9	0	0	0	112	D795	D795-N797 PolarHBondContact O-N 2.98Å
798	V	82.4	Confident	83.7	Confident	36 Å²	36	69.6 Å²	69.6	22%	0.218	37%	0.373	C	S	.	.			trans	-78.4	125	178.4	-175.8	0	0	0	0	109.7	Y786 A790 Y793 G796 L800 L802	Y786-V798 HydrophobicContact CE2-CG1 3.81Å; A790-V798 HydrophobicContact CB-CG1 4.34Å; A790-V798 HydrophobicContact CB-CG2 3.87Å; Y793-V798 HydrophobicContact CD2-CG2 4.46Å; Y793-V798 HydrophobicContact CG-CG2 4.43Å; G796-V798 PolarHBondContact O-N 2.93Å; V798-L800 PolarHBondContact O-N 3.41Å; V798-L802 HydrophobicContact CG1-CB 4.21Å; V798-L802 HydrophobicContact CG1-CD2 3.55Å; V798-L802 HydrophobicContact CG1-CG 4.43Å
799	P	83.7	Confident	84.4	Confident	53 Å²	53	65.1 Å²	65.1	34%	0.344	35%	0.352	S	S	.	.			trans	-59.1	136.2	177.9	-24.4	33.6	0	0	0	112.6	Y793 G801 L802	Y793-P799 HydrophobicContact CE1-CG 3.89Å; P799-G801 PolarHBondContact O-N 3.3Å; P799-L802 VanDerWaalsContact O-CB 3.24Å; P799-L802 WeakPolarHBondContact O-CB 3.39Å; P799-L802 PolarHBondContact O-N 2.63Å
800	L	88.2	Confident	85.2	Confident	127 Å²	127	61.8 Å²	61.8	67%	0.665	34%	0.337	S	S	*	.	H	α-helix	trans	-57.1	-36.9	178.5	179.7	63.1	0	0	0	112.4	V798 L802 F803 T804	V798-L800 PolarHBondContact O-N 3.41Å; L800-L802 PolarHBondContact O-N 2.94Å; L800-F803 HydrophobicContact CD1-CD1 4.24Å; L800-F803 WeakPolarHBondContact O-CA 3.42Å; L800-F803 WeakPolarHBondContact O-CB 3.24Å; L800-F803 PolarHBondContact O-N 3.49Å; L800-T804 HydrophobicContact CD1-CG2 3.85Å; L800-T804 HydrophobicContact CG-CG2 4.11Å; L800-T804 PolarHBondContact O-N 2.73Å; L800-T804 PolarHBondContact O-OG1 3.03Å
801	G	86.9	Confident	85.9	Confident	38 Å²	38	60.9 Å²	60.9	39%	0.392	33%	0.33	S	S	.	.	H	α-helix	trans	-58.1	-32	176.6	0	0	0	0	0	113.1	P799 F803 T804 Y805	P799-G801 PolarHBondContact O-N 3.3Å; G801-F803 PolarHBondContact O-N 3.48Å; G801-T804 PolarHBondContact O-N 3.35Å; G801-Y805 WeakPolarHBondContact O-CB 3.24Å; G801-Y805 PolarHBondContact O-N 2.83Å
802	L	86.2	Confident	86.6	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-67.2	-27.6	175	-166.5	69.5	0	0	0	112.5	K789 Y793 V798 P799 L800 Y805	K789-L802 HydrophobicContact CB-CD1 3.99Å; K789-L802 HydrophobicContact CB-CD2 3.78Å; K789-L802 HydrophobicContact CB-CG 4.23Å; K789-L802 HydrophobicContact CD-CD1 3.61Å; K789-L802 HydrophobicContact CG-CD1 4.48Å; Y793-L802 HydrophobicContact CD2-CD2 4.34Å; Y793-L802 HydrophobicContact CE2-CD2 3.86Å; V798-L802 HydrophobicContact CG1-CB 4.21Å; V798-L802 HydrophobicContact CG1-CD2 3.55Å; V798-L802 HydrophobicContact CG1-CG 4.43Å; P799-L802 VanDerWaalsContact O-CB 3.24Å; P799-L802 WeakPolarHBondContact O-CB 3.39Å; P799-L802 PolarHBondContact O-N 2.63Å; L800-L802 PolarHBondContact O-N 2.94Å; L802-Y805 WeakPolarHBondContact O-CD1 3.44Å; L802-Y805 WeakPolarHBondContact O-CE1 3.46Å
803	F	89.4	Confident	87.6	Confident	27 Å²	27	48.8 Å²	48.8	12%	0.118	27%	0.269	C	S	.	.	H	α-helix	trans	-84.1	-37.7	178	-177.6	-112.3	0	0	0	112.1	L777 L780 Q781 Y786 L800 G801 P806	L777-F803 HydrophobicContact CD2-CE1 4.18Å; L777-F803 HydrophobicContact CD2-CZ 3.66Å; L777-F803 HydrophobicContact CG-CE1 4.15Å; L777-F803 HydrophobicContact CG-CZ 4.03Å; L780-F803 HydrophobicContact CB-CD2 4.22Å; L780-F803 HydrophobicContact CB-CE1 4.04Å; L780-F803 HydrophobicContact CB-CE2 3.55Å; L780-F803 HydrophobicContact CB-CZ 3.44Å; L780-F803 VanDerWaalsContact CB-CZ 3.44Å; L780-F803 HydrophobicContact CD1-CD1 4.22Å; L780-F803 HydrophobicContact CD1-CE1 3.83Å; L780-F803 HydrophobicContact CD1-CZ 4.12Å; L780-F803 HydrophobicContact CG-CZ 4.4Å; Q781-F803 HydrophobicContact CB-CE2 4.47Å; Q781-F803 HydrophobicContact CG-CE2 3.67Å; Q781-F803 HydrophobicContact CG-CZ 3.94Å; Y786-F803 HydrophobicContact CD1-CD2 4.13Å; Y786-F803 HydrophobicContact CD1-CE2 4.49Å; Y786-F803 HydrophobicContact CD2-CB 4.07Å; Y786-F803 AromaticContact CD2-CD2 3.76Å; Y786-F803 HydrophobicContact CD2-CD2 3.76Å; Y786-F803 HydrophobicContact CD2-CG 4.43Å; Y786-F803 HydrophobicContact CE1-CD2 4.02Å; Y786-F803 HydrophobicContact CE1-CE2 4.38Å; Y786-F803 HydrophobicContact CE2-CB 3.77Å; Y786-F803 AromaticContact CE2-CD2 3.63Å; Y786-F803 HydrophobicContact CE2-CD2 3.63Å; Y786-F803 HydrophobicContact CE2-CG 4.15Å; Y786-F803 HydrophobicContact CG-CD2 4.01Å; Y786-F803 AromaticContact CZ-CD2 3.76Å; L800-F803 HydrophobicContact CD1-CD1 4.24Å; L800-F803 WeakPolarHBondContact O-CA 3.42Å; L800-F803 WeakPolarHBondContact O-CB 3.24Å; L800-F803 PolarHBondContact O-N 3.49Å; G801-F803 PolarHBondContact O-N 3.48Å; F803-P806 WeakPolarHBondContact O-CD 3.35Å
804	T	92.2	Very high	88.4	Confident	23 Å²	23	44.7 Å²	44.7	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-98.9	-10.3	-172.2	63	0	0	0	0	115.1	Y768 L800 G801 P806 V807 L808	Y768-T804 WeakPolarHBondContact OH-CB 3.28Å; Y768-T804 PolarHBondContact OH-OG1 3.14Å; L800-T804 HydrophobicContact CD1-CG2 3.85Å; L800-T804 HydrophobicContact CG-CG2 4.11Å; L800-T804 PolarHBondContact O-N 2.73Å; L800-T804 PolarHBondContact O-OG1 3.03Å; G801-T804 PolarHBondContact O-N 3.35Å; T804-P806 VanDerWaalsContact C-N 3.25Å; T804-P806 WeakPolarHBondContact O-CD 3.17Å; T804-P806 VanDerWaalsContact O-N 3.1Å; T804-V807 WeakPolarHBondContact O-CB 3.14Å; T804-V807 PolarHBondContact O-N 2.87Å; T804-L808 PolarHBondContact O-N 2.95Å
805	Y	90.9	Very high	89.7	Confident	19 Å²	19	35.2 Å²	35.2	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-54.2	-29.1	178.6	87.4	-92.7	0	0	0	115.1	H721 H785 G801 L802 V807 L808 Q809 H830	H721-Y805 AromaticContact ND1-CD2 3.9Å; H785-Y805 WeakPolarHBondContact CB-OH 3.32Å; G801-Y805 WeakPolarHBondContact O-CB 3.24Å; G801-Y805 PolarHBondContact O-N 2.83Å; L802-Y805 WeakPolarHBondContact O-CD1 3.44Å; L802-Y805 WeakPolarHBondContact O-CE1 3.46Å; Y805-V807 PolarHBondContact O-N 3.48Å; Y805-L808 WeakPolarHBondContact O-CB 3.42Å; Y805-L808 PolarHBondContact O-N 2.88Å; Y805-L808 VanDerWaalsContact O-N 3.07Å; Y805-Q809 PolarHBondContact O-N 3.33Å; Y805-H830 AromaticContact CE2-NE2 3.97Å; Y805-H830 AromaticContact CZ-NE2 3.67Å; Y805-H830 PolarHBondContact OH-CE1 2.85Å; Y805-H830 PolarHBondContact OH-NE2 2.86Å
806	P	93.1	Very high	90.6	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-30.1	174.3	-29.7	40.6	0	0	0	113.5	L780 L783 F803 T804 A810 L833	L780-P806 HydrophobicContact CD2-CB 4.11Å; L780-P806 HydrophobicContact CD2-CG 4.39Å; L783-P806 HydrophobicContact CD1-CB 3.85Å; L783-P806 HydrophobicContact CD1-CG 3.68Å; F803-P806 WeakPolarHBondContact O-CD 3.35Å; T804-P806 VanDerWaalsContact C-N 3.25Å; T804-P806 WeakPolarHBondContact O-CD 3.17Å; T804-P806 VanDerWaalsContact O-N 3.1Å; P806-A810 PolarHBondContact O-N 2.98Å; P806-A810 VanDerWaalsContact O-N 3.1Å; P806-L833 HydrophobicContact CB-CD2 3.78Å
807	V	94.6	Very high	91.4	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-74.6	-39.3	175.4	-173.8	0	0	0	0	110.2	Y768 L771 V775 L780 T804 Y805 Q809 A810 A811	Y768-V807 HydrophobicContact CD2-CB 3.97Å; Y768-V807 HydrophobicContact CD2-CG1 3.88Å; Y768-V807 HydrophobicContact CE2-CB 3.89Å; Y768-V807 HydrophobicContact CE2-CG1 4.15Å; L771-V807 HydrophobicContact CB-CG1 3.74Å; V775-V807 HydrophobicContact CB-CG2 4.35Å; V775-V807 HydrophobicContact CG1-CG2 4.32Å; V775-V807 HydrophobicContact CG2-CG2 4.01Å; L780-V807 HydrophobicContact CD1-CG2 4.15Å; L780-V807 HydrophobicContact CD2-CG2 4.1Å; T804-V807 WeakPolarHBondContact O-CB 3.14Å; T804-V807 PolarHBondContact O-N 2.87Å; Y805-V807 PolarHBondContact O-N 3.48Å; V807-Q809 VanDerWaalsContact C-N 3.33Å; V807-A810 WeakPolarHBondContact O-CB 3.37Å; V807-A810 PolarHBondContact O-N 2.74Å; V807-A811 PolarHBondContact O-N 3.45Å
808	L	95.1	Very high	92	Very high	20 Å²	20	24.2 Å²	24.2	11%	0.105	13%	0.132	C	C	.	.	H	α-helix	trans	-62.7	-43.3	174.1	-178.6	62.7	0	0	0	110.5	L720 Y768 T804 Y805 A810 A811 D812	L720-L808 HydrophobicContact CB-CD2 4.04Å; Y768-L808 HydrophobicContact CD2-CB 3.78Å; Y768-L808 HydrophobicContact CD2-CD1 4.34Å; Y768-L808 HydrophobicContact CE2-CB 4.17Å; Y768-L808 HydrophobicContact CG-CB 4.49Å; Y768-L808 HydrophobicContact CG-CD1 4.22Å; T804-L808 PolarHBondContact O-N 2.95Å; Y805-L808 WeakPolarHBondContact O-CB 3.42Å; Y805-L808 PolarHBondContact O-N 2.88Å; Y805-L808 VanDerWaalsContact O-N 3.07Å; L808-A810 VanDerWaalsContact C-N 3.28Å; L808-A810 PolarHBondContact O-N 3.24Å; L808-A811 WeakPolarHBondContact O-CA 3.3Å; L808-A811 VanDerWaalsContact O-CB 3.3Å; L808-A811 WeakPolarHBondContact O-CB 3.3Å; L808-A811 PolarHBondContact O-N 3.03Å; L808-D812 PolarHBondContact O-N 3.44Å
809	Q	94.5	Very high	92.5	Very high	31 Å²	31	25.3 Å²	25.3	15%	0.145	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-36.2	174.7	-171.8	175.4	-15.9	0	0	112.2	Y805 V807 D812 I813	Y805-Q809 PolarHBondContact O-N 3.33Å; V807-Q809 VanDerWaalsContact C-N 3.33Å; Q809-D812 WeakPolarHBondContact CA-OD2 3.29Å; Q809-D812 PolarHBondContact O-N 2.81Å; Q809-I813 HydrophobicContact CG-CD1 4.35Å; Q809-I813 WeakPolarHBondContact O-CD1 3.39Å; Q809-I813 VanDerWaalsContact O-CG1 3.29Å; Q809-I813 WeakPolarHBondContact O-CG1 3.47Å; Q809-I813 PolarHBondContact O-N 3.27Å
810	A	95.5	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-37.3	172.7	0	0	0	0	0	112.2	L771 P806 V807 L808 I813 L814 T834 L837	L771-A810 HydrophobicContact CD1-CB 3.94Å; P806-A810 PolarHBondContact O-N 2.98Å; P806-A810 VanDerWaalsContact O-N 3.1Å; V807-A810 WeakPolarHBondContact O-CB 3.37Å; V807-A810 PolarHBondContact O-N 2.74Å; L808-A810 VanDerWaalsContact C-N 3.28Å; L808-A810 PolarHBondContact O-N 3.24Å; A810-I813 PolarHBondContact O-N 2.84Å; A810-L814 WeakPolarHBondContact O-CB 3.4Å; A810-L814 VanDerWaalsContact O-CG 3.3Å; A810-L814 WeakPolarHBondContact O-CG 3.48Å; A810-L814 PolarHBondContact O-N 2.88Å; A810-T834 HydrophobicContact CB-CG2 4.05Å; A810-L837 HydrophobicContact CB-CD1 3.93Å
811	A	96.3	Very high	93	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.7	-46.3	174.2	0	0	0	0	0	111.3	M767 L771 V807 L808 I813 L814 L815	M767-A811 HydrophobicContact CB-CB 3.88Å; M767-A811 HydrophobicContact CG-CB 3.58Å; L771-A811 HydrophobicContact CD1-CB 3.98Å; V807-A811 PolarHBondContact O-N 3.45Å; L808-A811 WeakPolarHBondContact O-CA 3.3Å; L808-A811 VanDerWaalsContact O-CB 3.3Å; L808-A811 WeakPolarHBondContact O-CB 3.3Å; L808-A811 PolarHBondContact O-N 3.03Å; A811-I813 PolarHBondContact O-N 2.66Å; A811-L814 PolarHBondContact O-N 3.09Å; A811-L815 WeakPolarHBondContact O-CG 3.12Å; A811-L815 PolarHBondContact O-N 3.36Å; A811-L815 VanDerWaalsContact O-N 3.17Å
812	D	95.6	Very high	93	Very high	8 Å²	8	16 Å²	16	4%	0.043	8%	0.076	C	C	.	.	H	α-helix	trans	-56.8	-37.6	178.2	-57.5	-33.7	0	0	0	112	M680 H721 Q758 H764 L808 Q809 Y816	M680-D812 WeakPolarHBondContact CE-O 3.32Å; H721-D812 IonicContact CD2-OD2 3.29Å; H721-D812 PolarHBondContact CD2-OD2 3.39Å; H721-D812 IonicContact CE1-OD2 3.61Å; H721-D812 IonicContact NE2-OD2 2.81Å; H721-D812 PolarHBondContact NE2-OD2 2.86Å; Q758-D812 PolarHBondContact NE2-OD1 3.34Å; Q758-D812 PolarHBondContact NE2-OD2 3.22Å; Q758-D812 VanDerWaalsContact NE2-OD2 3.13Å; H764-D812 IonicContact CE1-OD1 3.53Å; H764-D812 IonicContact CG-OD1 3.84Å; H764-D812 IonicContact ND1-OD1 2.63Å; H764-D812 PolarHBondContact ND1-OD1 3.19Å; L808-D812 PolarHBondContact O-N 3.44Å; Q809-D812 WeakPolarHBondContact CA-OD2 3.29Å; Q809-D812 PolarHBondContact O-N 2.81Å; D812-Y816 WeakPolarHBondContact O-CD2 3.01Å; D812-Y816 WeakPolarHBondContact O-CE2 3.36Å
813	I	95.7	Very high	92.8	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.046	8%	0.079	C	C	.	.	H	α-helix	trans	-77.4	-51.9	179.7	-66.2	166.5	0	0	0	110.8	Q809 A810 A811 L815 Y816 P818 V821 L831 T834 P853	Q809-I813 HydrophobicContact CG-CD1 4.35Å; Q809-I813 WeakPolarHBondContact O-CD1 3.39Å; Q809-I813 VanDerWaalsContact O-CG1 3.29Å; Q809-I813 WeakPolarHBondContact O-CG1 3.47Å; Q809-I813 PolarHBondContact O-N 3.27Å; A810-I813 PolarHBondContact O-N 2.84Å; A811-I813 PolarHBondContact O-N 2.66Å; I813-L815 PolarHBondContact O-N 3.36Å; I813-Y816 PolarHBondContact O-N 3.23Å; I813-P818 HydrophobicContact CG2-CG 3.65Å; I813-P818 WeakPolarHBondContact O-CD 3.49Å; I813-P818 WeakPolarHBondContact O-CG 3.42Å; I813-V821 HydrophobicContact CD1-CG1 4.28Å; I813-V821 HydrophobicContact CG2-CG2 3.79Å; I813-L831 HydrophobicContact CD1-CD1 4.25Å; I813-T834 HydrophobicContact CB-CG2 4Å; I813-T834 HydrophobicContact CD1-CG2 4.16Å; I813-T834 HydrophobicContact CG2-CG2 3.87Å; I813-P853 HydrophobicContact CG2-CG 4.26Å
814	L	95.9	Very high	92.1	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-71.8	-26.4	-167.9	-67.3	179.5	0	0	0	113.9	L771 A810 A811 Y816 R817 T834 A838 F850	L771-L814 HydrophobicContact CD1-CD1 4.14Å; L771-L814 HydrophobicContact CD2-CD1 4.18Å; A810-L814 WeakPolarHBondContact O-CB 3.4Å; A810-L814 VanDerWaalsContact O-CG 3.3Å; A810-L814 WeakPolarHBondContact O-CG 3.48Å; A810-L814 PolarHBondContact O-N 2.88Å; A811-L814 PolarHBondContact O-N 3.09Å; L814-Y816 PolarHBondContact O-N 3.38Å; L814-R817 PolarHBondContact O-N 3.37Å; L814-T834 HydrophobicContact CD1-CG2 4.35Å; L814-T834 HydrophobicContact CD2-CG2 3.91Å; L814-T834 HydrophobicContact CG-CG2 3.87Å; L814-A838 HydrophobicContact CD1-CB 4.42Å; L814-A838 HydrophobicContact CD2-CB 3.84Å; L814-F850 HydrophobicContact CB-CD1 3.92Å; L814-F850 HydrophobicContact CB-CE1 3.99Å; L814-F850 HydrophobicContact CD2-CB 4.24Å; L814-F850 HydrophobicContact CD2-CD1 4.32Å; L814-F850 HydrophobicContact CD2-CG 4.32Å
815	L	96	Very high	91.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.2	177.7	-82.2	166.9	0	0	0	113.8	C763 H764 M767 A811 I813 A992 T995 L996	C763-L815 HydrophobicContact CB-CD1 4.11Å; C763-L815 HydrophobicContact CB-CD2 3.95Å; H764-L815 HydrophobicContact CB-CD1 4.41Å; H764-L815 WeakPolarHBondContact ND1-CD1 3.47Å; M767-L815 HydrophobicContact CB-CD1 3.98Å; M767-L815 HydrophobicContact CB-CD2 4Å; M767-L815 HydrophobicContact CB-CG 3.98Å; M767-L815 HydrophobicContact CE-CD2 3.59Å; M767-L815 HydrophobicContact CE-CG 3.94Å; M767-L815 HydrophobicContact CG-CD1 4.41Å; M767-L815 HydrophobicContact CG-CD2 4.28Å; M767-L815 HydrophobicContact CG-CG 4.01Å; A811-L815 WeakPolarHBondContact O-CG 3.12Å; A811-L815 PolarHBondContact O-N 3.36Å; A811-L815 VanDerWaalsContact O-N 3.17Å; I813-L815 PolarHBondContact O-N 3.36Å; L815-A992 HydrophobicContact CB-CB 4.24Å; L815-A992 HydrophobicContact CD2-CB 4.05Å; L815-A992 WeakPolarHBondContact CD2-O 3.43Å; L815-T995 WeakPolarHBondContact O-CB 3.32Å; L815-T995 PolarHBondContact O-OG1 3.12Å; L815-T995 VanDerWaalsContact O-OG1 3.05Å; L815-L996 HydrophobicContact CD2-CB 4.24Å
816	Y	95	Very high	90.4	Very high	4 Å²	4	23 Å²	23	2%	0.016	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	6.7	-177.3	-56.1	-72.2	0	0	0	113.8	M680 Y714 F756 H764 D812 I813 L814 P818 A988 V991 A992	M680-Y816 HydrophobicContact CE-CD2 3.8Å; M680-Y816 HydrophobicContact CE-CE2 3.73Å; M680-Y816 HydrophobicContact CG-CD2 4.02Å; M680-Y816 HydrophobicContact SD-CD2 3.5Å; M680-Y816 WeakPolarHBondContact SD-CD2 3.23Å; M680-Y816 HydrophobicContact SD-CE2 3.97Å; M680-Y816 HydrophobicContact SD-CG 4.21Å; Y714-Y816 AromaticContact CD1-CD1 3.89Å; Y714-Y816 HydrophobicContact CD1-CD1 3.89Å; Y714-Y816 HydrophobicContact CD1-CE1 4.2Å; Y714-Y816 HydrophobicContact CD1-CG 4.48Å; Y714-Y816 HydrophobicContact CD2-CD1 4.24Å; Y714-Y816 HydrophobicContact CD2-CG 4.23Å; Y714-Y816 HydrophobicContact CE1-CD1 4.1Å; Y714-Y816 HydrophobicContact CE1-CE1 4.49Å; Y714-Y816 HydrophobicContact CE2-CD1 4.4Å; Y714-Y816 AromaticContact CG-CD1 3.98Å; Y714-Y816 HydrophobicContact CG-CD1 3.98Å; Y714-Y816 HydrophobicContact CG-CG 4.12Å; F756-Y816 HydrophobicContact CE1-CE2 4.48Å; F756-Y816 HydrophobicContact CE2-CE2 4.44Å; F756-Y816 AromaticContact CE2-CZ 3.97Å; F756-Y816 WeakPolarHBondContact CE2-OH 3.25Å; F756-Y816 HydrophobicContact CZ-CE1 4.22Å; F756-Y816 AromaticContact CZ-CE2 3.67Å; F756-Y816 HydrophobicContact CZ-CE2 3.67Å; F756-Y816 AromaticContact CZ-CZ 3.37Å; F756-Y816 WeakPolarHBondContact CZ-OH 3.49Å; H764-Y816 AromaticContact CE1-CE2 3.73Å; H764-Y816 PolarHBondContact NE2-OH 3.18Å; D812-Y816 WeakPolarHBondContact O-CD2 3.01Å; D812-Y816 WeakPolarHBondContact O-CE2 3.36Å; I813-Y816 PolarHBondContact O-N 3.23Å; L814-Y816 PolarHBondContact O-N 3.38Å; Y816-P818 VanDerWaalsContact C-CD 3.49Å; Y816-A988 HydrophobicContact CE1-CB 3.82Å; Y816-V991 HydrophobicContact CD1-CB 4.49Å; Y816-V991 HydrophobicContact CD1-CG1 4.29Å; Y816-A992 HydrophobicContact CE1-CB 4.24Å
817	R	92.8	Very high	89.8	Confident	97 Å²	97	24.9 Å²	24.9	37%	0.366	13%	0.127	S	C	.	.			trans	45.9	53.1	178.2	-55	173.5	68.1	96.9	10.9	113.8	L814 A848 L849 P851 T995	L814-R817 PolarHBondContact O-N 3.37Å; R817-A848 PolarHBondContact NH2-O 3.01Å; R817-L849 PolarHBondContact NH1-O 3.38Å; R817-L849 PolarHBondContact NH2-O 2.94Å; R817-P851 VanDerWaalsContact C-CG 3.49Å; R817-P851 HydrophobicContact CB-CG 3.92Å; R817-P851 VanDerWaalsContact O-CG 3.28Å; R817-P851 WeakPolarHBondContact O-CG 3.28Å; R817-T995 HydrophobicContact CG-CG2 4.08Å
818	P	93.2	Very high	89.3	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.133	C	C	.	.			trans	-76	146.8	-173.7	30.6	-35	0	0	0	112.9	V678 M680 I813 Y816 V821 P853	V678-P818 CarbonylContact O-C 3.55Å; V678-P818 WeakPolarHBondContact O-CA 3.43Å; M680-P818 HydrophobicContact CB-CB 3.8Å; M680-P818 HydrophobicContact CB-CG 3.89Å; I813-P818 HydrophobicContact CG2-CG 3.65Å; I813-P818 WeakPolarHBondContact O-CD 3.49Å; I813-P818 WeakPolarHBondContact O-CG 3.42Å; Y816-P818 VanDerWaalsContact C-CD 3.49Å; P818-V821 HydrophobicContact CB-CG2 4.32Å; P818-V821 HydrophobicContact CG-CG2 4Å; P818-P853 HydrophobicContact CG-CB 4.36Å
819	D	91.9	Very high	89	Confident	58 Å²	58	28.3 Å²	28.3	31%	0.31	14%	0.144	S	C	.	.	S	Bend	trans	-83	-32.3	169.7	-60.5	-68.5	0	0	0	111.6	E677 V678 R854	E677-D819 WeakPolarHBondContact CA-OD2 3.49Å; E677-D819 HydrophobicContact CB-CB 4.17Å; E677-D819 HydrophobicContact CG-CB 4.46Å; V678-D819 PolarHBondContact N-OD2 3.17Å; V678-D819 PolarHBondContact O-N 3.31Å; D819-R854 WeakPolarHBondContact O-CB 3.38Å; D819-R854 PolarHBondContact O-N 3.1Å
820	V	91.1	Very high	88.8	Confident	9 Å²	9	26.9 Å²	26.9	6%	0.055	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138	-174.8	-180	0	0	0	0	110.7	E677 V678 V679 M680 R854 M856	E677-V820 VanDerWaalsContact OE2-CG2 3.24Å; E677-V820 WeakPolarHBondContact OE2-CG2 3.15Å; V678-V820 PolarHBondContact O-N 2.92Å; V679-V820 WeakPolarHBondContact CA-O 3.2Å; V679-V820 HydrophobicContact CG2-CB 4.4Å; M680-V820 PolarHBondContact N-O 3.09Å; V820-R854 WeakPolarHBondContact CA-O 3.44Å; V820-M856 HydrophobicContact CG1-CB 3.53Å; V820-M856 HydrophobicContact CG1-CE 4.3Å; V820-M856 HydrophobicContact CG1-CG 4.47Å; V820-M856 HydrophobicContact CG1-SD 4.32Å
821	V	91.3	Very high	88.7	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	111.2	174.2	-174.2	0	0	0	0	108.5	M680 I813 P818 V823 L831 P853 R854 M856	M680-V821 WeakPolarHBondContact O-CG1 3.22Å; I813-V821 HydrophobicContact CD1-CG1 4.28Å; I813-V821 HydrophobicContact CG2-CG2 3.79Å; P818-V821 HydrophobicContact CB-CG2 4.32Å; P818-V821 HydrophobicContact CG-CG2 4Å; V821-V823 HydrophobicContact CG1-CG1 3.77Å; V821-V823 PolarHBondContact O-N 3.22Å; V821-L831 HydrophobicContact CB-CD1 4.05Å; V821-L831 HydrophobicContact CB-CD2 4.43Å; V821-L831 HydrophobicContact CG1-CD1 4.3Å; V821-L831 HydrophobicContact CG2-CD1 4.17Å; V821-P853 HydrophobicContact CG2-CB 3.63Å; V821-R854 PolarHBondContact N-O 2.69Å; V821-M856 PolarHBondContact O-N 3.21Å; V821-M856 VanDerWaalsContact O-N 3.09Å
822	P	87.3	Confident	88.5	Confident	9 Å²	9	34.6 Å²	34.6	6%	0.058	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	119	170.7	23.2	-29.6	0	0	0	109.4	V679 L704 M856	V679-P822 HydrophobicContact CG1-CG 4.11Å; L704-P822 HydrophobicContact CD1-CG 4.44Å; P822-M856 WeakPolarHBondContact CA-O 3.47Å; P822-M856 HydrophobicContact CB-CE 3.76Å; P822-M856 HydrophobicContact CG-CE 4.35Å
823	V	81.9	Confident	88.4	Confident	15 Å²	15	34.8 Å²	34.8	9%	0.091	17%	0.168	C	C	.	.			trans	-139	144	176.5	-69.2	0	0	0	0	111.2	V821 Q827 L831 Q855 M856	V821-V823 HydrophobicContact CG1-CG1 3.77Å; V821-V823 PolarHBondContact O-N 3.22Å; V823-Q827 HydrophobicContact CB-CB 4.02Å; V823-Q827 HydrophobicContact CG1-CB 4.24Å; V823-L831 HydrophobicContact CG1-CD2 4.43Å; V823-L831 HydrophobicContact CG2-CD2 3.66Å; V823-Q855 HydrophobicContact CG2-CG 3.58Å; V823-M856 PolarHBondContact N-O 3.5Å; V823-M856 VanDerWaalsContact N-O 3.1Å
824	G	74.8	Confident	88.3	Confident	30 Å²	30	34.4 Å²	34.4	31%	0.309	17%	0.166	S	C	.	.			trans	-69.6	161.2	167	0	0	0	0	0	111.9	D826 Q827	G824-D826 PolarHBondContact O-N 3.42Å; G824-D826 VanDerWaalsContact O-N 3.13Å; G824-Q827 PolarHBondContact O-N 3.07Å
825	E	72.4	Confident	88.3	Confident	134 Å²	134	35.8 Å²	35.8	63%	0.626	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-53.4	-35.2	-179.5	-74.6	175.9	178.7	0	0	113.7	Q827 T828 M857	E825-Q827 PolarHBondContact O-N 3.45Å; E825-T828 VanDerWaalsContact O-CB 3.29Å; E825-T828 WeakPolarHBondContact O-CB 3.47Å; E825-T828 PolarHBondContact O-N 3.2Å; E825-T828 PolarHBondContact O-OG1 3.27Å; E825-M857 HydrophobicContact CG-CE 3.37Å; E825-M857 HydrophobicContact CG-SD 4.45Å
826	D	73.6	Confident	88.2	Confident	45 Å²	45	40.4 Å²	40.4	24%	0.241	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-62.4	-31.3	177.6	41.3	-53	0	0	0	112.5	H785 G824 T828 R862	H785-D826 PolarHBondContact NE2-O 3.11Å; G824-D826 PolarHBondContact O-N 3.42Å; G824-D826 VanDerWaalsContact O-N 3.13Å; D826-T828 VanDerWaalsContact C-N 3.33Å; D826-R862 IonicContact OD1-CZ 3.87Å; D826-R862 IonicContact OD1-NE 3.28Å; D826-R862 IonicContact OD1-NH2 2.93Å; D826-R862 PolarHBondContact OD1-NH2 3.22Å
827	Q	80.5	Confident	88.1	Confident	43 Å²	43	40.4 Å²	40.4	20%	0.201	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-91.7	1.1	-174.8	-58.1	-56.5	-40.3	0	0	112.5	V823 G824 E825 Q829 H830 L831	V823-Q827 HydrophobicContact CB-CB 4.02Å; V823-Q827 HydrophobicContact CG1-CB 4.24Å; G824-Q827 PolarHBondContact O-N 3.07Å; E825-Q827 PolarHBondContact O-N 3.45Å; Q827-Q829 VanDerWaalsContact C-N 3.27Å; Q827-Q829 PolarHBondContact O-N 3.3Å; Q827-H830 PolarHBondContact O-N 2.85Å; Q827-H830 VanDerWaalsContact O-N 3.12Å; Q827-H830 PolarHBondContact OE1-CE1 3.37Å; Q827-H830 PolarHBondContact OE1-ND1 2.76Å; Q827-L831 PolarHBondContact O-N 2.85Å
828	T	85.8	Confident	88.2	Confident	24 Å²	24	35.8 Å²	35.8	15%	0.147	18%	0.175	C	C	.	.	H	α-helix	trans	-56.8	-39	179.1	-56.7	0	0	0	0	112.3	E825 D826 R832 Q855	E825-T828 VanDerWaalsContact O-CB 3.29Å; E825-T828 WeakPolarHBondContact O-CB 3.47Å; E825-T828 PolarHBondContact O-N 3.2Å; E825-T828 PolarHBondContact O-OG1 3.27Å; D826-T828 VanDerWaalsContact C-N 3.33Å; T828-R832 VanDerWaalsContact O-CG 3.32Å; T828-R832 WeakPolarHBondContact O-CG 3.34Å; T828-R832 PolarHBondContact O-N 3.45Å; T828-Q855 PolarHBondContact OG1-NE2 3.43Å
829	Q	88.8	Confident	88.2	Confident	72 Å²	72	42 Å²	42	34%	0.336	20%	0.198	S	C	.	.	H	α-helix	trans	-65.6	-41.4	178.3	-68	-174.2	0.7	0	0	111.8	L783 T784 Q827 R832 L833	L783-Q829 HydrophobicContact CD2-CB 4.13Å; T784-Q829 PolarHBondContact OG1-NE2 3.12Å; T784-Q829 PolarHBondContact OG1-OE1 3.16Å; Q827-Q829 VanDerWaalsContact C-N 3.27Å; Q827-Q829 PolarHBondContact O-N 3.3Å; Q829-R832 PolarHBondContact O-N 3.3Å; Q829-L833 PolarHBondContact O-N 3.06Å; Q829-L833 VanDerWaalsContact O-N 3.11Å
830	H	90	Very high	88.1	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-43.9	177.8	-56.1	117.4	0	0	0	111.5	H785 Y805 Q827 R832 L833 T834	H785-H830 AromaticContact CD2-CE1 3.16Å; H785-H830 PolarHBondContact CD2-CE1 3.12Å; H785-H830 AromaticContact CD2-NE2 3.79Å; H785-H830 AromaticContact CG-CE1 3.49Å; H785-H830 VanDerWaalsContact CG-CE1 3.49Å; H785-H830 AromaticContact CG-NE2 3.96Å; H785-H830 AromaticContact NE2-CE1 3.62Å; Y805-H830 AromaticContact CE2-NE2 3.97Å; Y805-H830 AromaticContact CZ-NE2 3.67Å; Y805-H830 PolarHBondContact OH-CE1 2.85Å; Y805-H830 PolarHBondContact OH-NE2 2.86Å; Q827-H830 PolarHBondContact O-N 2.85Å; Q827-H830 VanDerWaalsContact O-N 3.12Å; Q827-H830 PolarHBondContact OE1-CE1 3.37Å; Q827-H830 PolarHBondContact OE1-ND1 2.76Å; H830-R832 VanDerWaalsContact C-N 3.28Å; H830-R832 PolarHBondContact O-N 3.38Å; H830-L833 WeakPolarHBondContact O-CA 3.39Å; H830-L833 WeakPolarHBondContact O-CB 3.03Å; H830-L833 PolarHBondContact O-N 3.1Å; H830-T834 PolarHBondContact O-N 3.24Å; H830-T834 PolarHBondContact O-OG1 3.06Å
831	L	92.2	Very high	88.2	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-34.9	176.7	-175.1	61.6	0	0	0	112.1	I813 V821 V823 Q827 T834 Q835 P853 Q855	I813-L831 HydrophobicContact CD1-CD1 4.25Å; V821-L831 HydrophobicContact CB-CD1 4.05Å; V821-L831 HydrophobicContact CB-CD2 4.43Å; V821-L831 HydrophobicContact CG1-CD1 4.3Å; V821-L831 HydrophobicContact CG2-CD1 4.17Å; V823-L831 HydrophobicContact CG1-CD2 4.43Å; V823-L831 HydrophobicContact CG2-CD2 3.66Å; Q827-L831 PolarHBondContact O-N 2.85Å; L831-T834 WeakPolarHBondContact O-CB 3.27Å; L831-T834 PolarHBondContact O-N 3.4Å; L831-Q835 WeakPolarHBondContact O-CG 3.41Å; L831-Q835 PolarHBondContact O-N 3.38Å; L831-P853 HydrophobicContact CD1-CB 4.44Å; L831-P853 HydrophobicContact CD1-CG 4.16Å; L831-Q855 HydrophobicContact CD2-CB 3.57Å; L831-Q855 HydrophobicContact CD2-CG 4Å
832	R	92	Very high	88.3	Confident	161 Å²	161	42.8 Å²	42.8	61%	0.608	21%	0.207	S	C	*	.	H	α-helix	trans	-63.6	-38.9	172.1	-75.5	177.4	-175.5	-176.9	4.3	112.4	T828 Q829 H830 Q835 K836	T828-R832 VanDerWaalsContact O-CG 3.32Å; T828-R832 WeakPolarHBondContact O-CG 3.34Å; T828-R832 PolarHBondContact O-N 3.45Å; Q829-R832 PolarHBondContact O-N 3.3Å; H830-R832 VanDerWaalsContact C-N 3.28Å; H830-R832 PolarHBondContact O-N 3.38Å; R832-Q835 PolarHBondContact O-N 3.39Å; R832-K836 WeakPolarHBondContact O-CB 3.31Å; R832-K836 PolarHBondContact O-N 3.19Å
833	L	93.2	Very high	88.5	Confident	13 Å²	13	47.8 Å²	47.8	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-45.9	172.6	178.5	65.8	0	0	0	110.6	L780 L783 P806 Q829 H830 Q835 K836 L837	L780-L833 HydrophobicContact CD2-CD2 3.91Å; L783-L833 HydrophobicContact CD1-CD2 4.34Å; P806-L833 HydrophobicContact CB-CD2 3.78Å; Q829-L833 PolarHBondContact O-N 3.06Å; Q829-L833 VanDerWaalsContact O-N 3.11Å; H830-L833 WeakPolarHBondContact O-CA 3.39Å; H830-L833 WeakPolarHBondContact O-CB 3.03Å; H830-L833 PolarHBondContact O-N 3.1Å; L833-Q835 PolarHBondContact O-N 3.04Å; L833-K836 WeakPolarHBondContact O-CB 3.48Å; L833-K836 PolarHBondContact O-N 3.15Å; L833-L837 HydrophobicContact CD1-CD1 4.44Å; L833-L837 HydrophobicContact CG-CD1 4.19Å; L833-L837 WeakPolarHBondContact O-CG 3.47Å; L833-L837 PolarHBondContact O-N 3.27Å
834	T	94.6	Very high	88.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-47.4	175.6	-50.1	0	0	0	0	112.2	A810 I813 L814 H830 L831 K836 L837 A838 P853	A810-T834 HydrophobicContact CB-CG2 4.05Å; I813-T834 HydrophobicContact CB-CG2 4Å; I813-T834 HydrophobicContact CD1-CG2 4.16Å; I813-T834 HydrophobicContact CG2-CG2 3.87Å; L814-T834 HydrophobicContact CD1-CG2 4.35Å; L814-T834 HydrophobicContact CD2-CG2 3.91Å; L814-T834 HydrophobicContact CG-CG2 3.87Å; H830-T834 PolarHBondContact O-N 3.24Å; H830-T834 PolarHBondContact O-OG1 3.06Å; L831-T834 WeakPolarHBondContact O-CB 3.27Å; L831-T834 PolarHBondContact O-N 3.4Å; T834-K836 VanDerWaalsContact C-N 3.3Å; T834-K836 PolarHBondContact O-N 2.9Å; T834-L837 PolarHBondContact O-N 3.29Å; T834-A838 WeakPolarHBondContact O-CB 3.46Å; T834-A838 PolarHBondContact O-N 2.94Å; T834-P853 HydrophobicContact CG2-CG 4.5Å
835	Q	95.1	Very high	89.6	Confident	32 Å²	32	56.7 Å²	56.7	15%	0.15	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-38.7	176	-72.3	173.4	-2.2	0	0	112.1	L831 R832 L833 R839 I852 P853	L831-Q835 WeakPolarHBondContact O-CG 3.41Å; L831-Q835 PolarHBondContact O-N 3.38Å; R832-Q835 PolarHBondContact O-N 3.39Å; L833-Q835 PolarHBondContact O-N 3.04Å; Q835-R839 VanDerWaalsContact O-CG 3.31Å; Q835-R839 WeakPolarHBondContact O-CG 3.05Å; Q835-R839 PolarHBondContact O-N 2.93Å; Q835-I852 HydrophobicContact CB-CG2 4.16Å; Q835-I852 HydrophobicContact CG-CG2 3.96Å; Q835-P853 HydrophobicContact CG-CG 4.21Å; Q835-P853 PolarHBondContact NE2-O 3.46Å
836	K	93.6	Very high	90.1	Very high	96 Å²	96	59.7 Å²	59.7	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-47.5	176.2	-173.1	-175.9	-178.4	-173.4	0	110.6	R832 L833 T834 R839 S840	R832-K836 WeakPolarHBondContact O-CB 3.31Å; R832-K836 PolarHBondContact O-N 3.19Å; L833-K836 WeakPolarHBondContact O-CB 3.48Å; L833-K836 PolarHBondContact O-N 3.15Å; T834-K836 VanDerWaalsContact C-N 3.3Å; T834-K836 PolarHBondContact O-N 2.9Å; K836-R839 PolarHBondContact O-N 2.75Å; K836-S840 WeakPolarHBondContact O-CB 3.49Å; K836-S840 PolarHBondContact O-N 3.37Å; K836-S840 PolarHBondContact O-OG 2.99Å; K836-S840 VanDerWaalsContact O-OG 3.13Å
837	L	93.7	Very high	90.5	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-45.8	177.9	-73.3	167.4	0	0	0	112.1	F774 V775 A810 L833 T834 R839 S840 L841	F774-L837 HydrophobicContact CB-CD2 3.89Å; V775-L837 HydrophobicContact CG2-CD1 3.77Å; V775-L837 HydrophobicContact CG2-CD2 3.5Å; V775-L837 HydrophobicContact CG2-CG 4.15Å; A810-L837 HydrophobicContact CB-CD1 3.93Å; L833-L837 HydrophobicContact CD1-CD1 4.44Å; L833-L837 HydrophobicContact CG-CD1 4.19Å; L833-L837 WeakPolarHBondContact O-CG 3.47Å; L833-L837 PolarHBondContact O-N 3.27Å; T834-L837 PolarHBondContact O-N 3.29Å; L837-R839 PolarHBondContact O-N 3.04Å; L837-S840 PolarHBondContact O-N 3.12Å; L837-L841 WeakPolarHBondContact O-CB 3.25Å; L837-L841 WeakPolarHBondContact O-CG 3.1Å; L837-L841 PolarHBondContact O-N 3.31Å
838	A	94.2	Very high	90.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-46.8	175.7	0	0	0	0	0	112.1	L814 T834 N842 F850 I852	L814-A838 HydrophobicContact CD1-CB 4.42Å; L814-A838 HydrophobicContact CD2-CB 3.84Å; T834-A838 WeakPolarHBondContact O-CB 3.46Å; T834-A838 PolarHBondContact O-N 2.94Å; A838-N842 WeakPolarHBondContact O-CB 3.21Å; A838-N842 PolarHBondContact O-N 2.74Å; A838-N842 PolarHBondContact O-ND2 3.39Å; A838-N842 PolarHBondContact O-OD1 2.84Å; A838-F850 HydrophobicContact CB-CB 4.14Å; A838-I852 HydrophobicContact CB-CD1 3.62Å
839	R	93.5	Very high	90.8	Very high	131 Å²	131	61.6 Å²	61.6	49%	0.494	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-47.2	175.8	-72.7	178.8	-168.7	135	6.5	111.7	Q835 K836 L837 L841 N842 V843 I852	Q835-R839 VanDerWaalsContact O-CG 3.31Å; Q835-R839 WeakPolarHBondContact O-CG 3.05Å; Q835-R839 PolarHBondContact O-N 2.93Å; K836-R839 PolarHBondContact O-N 2.75Å; L837-R839 PolarHBondContact O-N 3.04Å; R839-L841 VanDerWaalsContact C-N 3.33Å; R839-L841 PolarHBondContact O-N 3.07Å; R839-N842 PolarHBondContact O-N 3.23Å; R839-V843 WeakPolarHBondContact O-CB 3.5Å; R839-V843 VanDerWaalsContact O-CG2 3.24Å; R839-V843 WeakPolarHBondContact O-CG2 3.42Å; R839-V843 PolarHBondContact O-N 3.1Å; R839-I852 HydrophobicContact CB-CD1 4.43Å; R839-I852 HydrophobicContact CG-CD1 3.56Å; R839-I852 HydrophobicContact CG-CG1 4.08Å
840	S	91.1	Very high	90.8	Very high	57 Å²	57	58.4 Å²	58.4	40%	0.399	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-42	-179.2	-71.7	0	0	0	0	112	K836 L837 R844	K836-S840 WeakPolarHBondContact O-CB 3.49Å; K836-S840 PolarHBondContact O-N 3.37Å; K836-S840 PolarHBondContact O-OG 2.99Å; K836-S840 VanDerWaalsContact O-OG 3.13Å; L837-S840 PolarHBondContact O-N 3.12Å; S840-R844 VanDerWaalsContact O-CB 3.22Å; S840-R844 WeakPolarHBondContact O-CB 3.37Å; S840-R844 PolarHBondContact O-N 3.15Å
841	L	92.2	Very high	90.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-47.1	176.1	-74.4	167.5	0	0	0	112	L771 F774 L837 R839 V843 R844 Y845 F850 L999	L771-L841 HydrophobicContact CD2-CD1 3.49Å; L771-L841 VanDerWaalsContact CD2-CD1 3.49Å; F774-L841 HydrophobicContact CD1-CD2 4.07Å; F774-L841 HydrophobicContact CD2-CD2 3.75Å; F774-L841 HydrophobicContact CE1-CD2 3.86Å; F774-L841 HydrophobicContact CE2-CD2 3.53Å; F774-L841 HydrophobicContact CG-CD2 4.04Å; F774-L841 HydrophobicContact CZ-CD2 3.59Å; L837-L841 WeakPolarHBondContact O-CB 3.25Å; L837-L841 WeakPolarHBondContact O-CG 3.1Å; L837-L841 PolarHBondContact O-N 3.31Å; R839-L841 VanDerWaalsContact C-N 3.33Å; R839-L841 PolarHBondContact O-N 3.07Å; L841-V843 VanDerWaalsContact C-N 3.29Å; L841-V843 PolarHBondContact O-N 3.04Å; L841-R844 PolarHBondContact O-N 3.28Å; L841-Y845 HydrophobicContact CD2-CD2 4.08Å; L841-Y845 HydrophobicContact CD2-CE2 3.69Å; L841-Y845 WeakPolarHBondContact O-CD2 3.47Å; L841-Y845 PolarHBondContact O-N 2.91Å; L841-F850 HydrophobicContact CB-CD2 4.34Å; L841-F850 HydrophobicContact CB-CE2 4.21Å; L841-F850 HydrophobicContact CD1-CD2 4.33Å; L841-F850 HydrophobicContact CD1-CE2 3.76Å; L841-L999 HydrophobicContact CD2-CD1 4.21Å
842	N	93	Very high	90.9	Very high	31 Å²	31	62.9 Å²	62.9	17%	0.166	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-41.6	177.8	-70.8	-8.9	0	0	0	111.9	A838 R839 K846 S847 L849 F850	A838-N842 WeakPolarHBondContact O-CB 3.21Å; A838-N842 PolarHBondContact O-N 2.74Å; A838-N842 PolarHBondContact O-ND2 3.39Å; A838-N842 PolarHBondContact O-OD1 2.84Å; R839-N842 PolarHBondContact O-N 3.23Å; N842-K846 WeakPolarHBondContact O-CA 3.31Å; N842-K846 PolarHBondContact O-N 3.3Å; N842-S847 VanDerWaalsContact CA-O 3.29Å; N842-S847 WeakPolarHBondContact CA-O 3.4Å; N842-S847 PolarHBondContact O-N 3.19Å; N842-S847 PolarHBondContact OD1-O 3.49Å; N842-L849 WeakPolarHBondContact OD1-CB 3.34Å; N842-L849 PolarHBondContact OD1-N 3.4Å; N842-F850 PolarHBondContact ND2-O 3.5Å; N842-F850 PolarHBondContact OD1-N 3.45Å
843	V	91.3	Very high	90.9	Very high	113 Å²	113	55.2 Å²	55.2	69%	0.685	28%	0.279	S	S	*	.	H	α-helix	trans	-68.4	-48.2	177.4	170.6	0	0	0	0	111.1	R839 L841 Y845 K846	R839-V843 WeakPolarHBondContact O-CB 3.5Å; R839-V843 VanDerWaalsContact O-CG2 3.24Å; R839-V843 WeakPolarHBondContact O-CG2 3.42Å; R839-V843 PolarHBondContact O-N 3.1Å; L841-V843 VanDerWaalsContact C-N 3.29Å; L841-V843 PolarHBondContact O-N 3.04Å; V843-Y845 PolarHBondContact O-N 2.94Å; V843-K846 PolarHBondContact O-N 3.17Å
844	R	90.3	Very high	90.8	Very high	173 Å²	173	61.1 Å²	61.1	65%	0.653	30%	0.3	S	S	*	.	H	α-helix	trans	-62.3	-42.1	-176.5	-175.2	177.8	-179.1	90.8	-1.7	112.3	S840 L841	S840-R844 VanDerWaalsContact O-CB 3.22Å; S840-R844 WeakPolarHBondContact O-CB 3.37Å; S840-R844 PolarHBondContact O-N 3.15Å; L841-R844 PolarHBondContact O-N 3.28Å
845	Y	89.8	Confident	90.5	Very high	59 Å²	59	64.1 Å²	64.1	23%	0.231	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	4.2	-177.2	-65.2	-66.2	0	0	0	113.9	F774 L841 V843 S847 L849 A1002 V1003	F774-Y845 HydrophobicContact CE1-CE2 4.32Å; F774-Y845 AromaticContact CZ-CE2 3.88Å; F774-Y845 HydrophobicContact CZ-CE2 3.88Å; F774-Y845 WeakPolarHBondContact CZ-OH 3.4Å; L841-Y845 HydrophobicContact CD2-CD2 4.08Å; L841-Y845 HydrophobicContact CD2-CE2 3.69Å; L841-Y845 WeakPolarHBondContact O-CD2 3.47Å; L841-Y845 PolarHBondContact O-N 2.91Å; V843-Y845 PolarHBondContact O-N 2.94Å; Y845-S847 PolarHBondContact O-N 2.98Å; Y845-L849 HydrophobicContact CD2-CD1 3.98Å; Y845-L849 HydrophobicContact CG-CD1 4.26Å; Y845-A1002 HydrophobicContact CD1-CB 4.05Å; Y845-A1002 WeakPolarHBondContact CD1-O 3.43Å; Y845-A1002 HydrophobicContact CD2-CB 4.38Å; Y845-A1002 WeakPolarHBondContact CE1-O 3.44Å; Y845-A1002 HydrophobicContact CG-CB 3.93Å; Y845-V1003 HydrophobicContact CE2-CG2 4.1Å; Y845-V1003 WeakPolarHBondContact OH-CG2 3.35Å
846	K	83.9	Confident	89.9	Confident	198 Å²	198	65 Å²	65	86%	0.861	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	36.1	178.8	-57.9	-179.1	-179.2	178.5	0	113.2	N842 V843	N842-K846 WeakPolarHBondContact O-CA 3.31Å; N842-K846 PolarHBondContact O-N 3.3Å; V843-K846 PolarHBondContact O-N 3.17Å
847	S	82.6	Confident	88.8	Confident	57 Å²	57	64.9 Å²	64.9	40%	0.399	32%	0.321	S	S	.	.	S	Bend	trans	-137.9	144.2	-175.3	176.7	0	0	0	0	109.6	N842 Y845 L849	N842-S847 VanDerWaalsContact CA-O 3.29Å; N842-S847 WeakPolarHBondContact CA-O 3.4Å; N842-S847 PolarHBondContact O-N 3.19Å; N842-S847 PolarHBondContact OD1-O 3.49Å; Y845-S847 PolarHBondContact O-N 2.98Å; S847-L849 PolarHBondContact O-N 3.42Å
848	A	85.3	Confident	87.5	Confident	83 Å²	83	66 Å²	66	69%	0.686	33%	0.331	S	S	*	.			trans	-77.4	58.7	175.4	0	0	0	0	0	110.8	R817 F850	R817-A848 PolarHBondContact NH2-O 3.01Å; A848-F850 VanDerWaalsContact C-N 3.35Å; A848-F850 PolarHBondContact O-N 3.28Å
849	L	85.6	Confident	86.1	Confident	11 Å²	11	71.8 Å²	71.8	6%	0.058	36%	0.358	C	S	.	.			trans	-62.7	-41.3	-176.1	-67.2	172	0	0	0	111.4	R817 N842 Y845 S847 L999 A1002	R817-L849 PolarHBondContact NH1-O 3.38Å; R817-L849 PolarHBondContact NH2-O 2.94Å; N842-L849 WeakPolarHBondContact OD1-CB 3.34Å; N842-L849 PolarHBondContact OD1-N 3.4Å; Y845-L849 HydrophobicContact CD2-CD1 3.98Å; Y845-L849 HydrophobicContact CG-CD1 4.26Å; S847-L849 PolarHBondContact O-N 3.42Å; L849-L999 HydrophobicContact CD1-CD1 4.08Å; L849-A1002 HydrophobicContact CD1-CB 3.92Å; L849-A1002 HydrophobicContact CD2-CB 4.11Å
850	F	90	Very high	84.8	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.026	34%	0.342	C	S	.	.	S	Bend	trans	-132.9	137.2	-178.1	-53.4	-78.6	0	0	0	111.8	M767 L814 A838 L841 N842 A848 T995 L999	M767-F850 HydrophobicContact CE-CE1 3.89Å; M767-F850 HydrophobicContact CE-CZ 3.98Å; L814-F850 HydrophobicContact CB-CD1 3.92Å; L814-F850 HydrophobicContact CB-CE1 3.99Å; L814-F850 HydrophobicContact CD2-CB 4.24Å; L814-F850 HydrophobicContact CD2-CD1 4.32Å; L814-F850 HydrophobicContact CD2-CG 4.32Å; A838-F850 HydrophobicContact CB-CB 4.14Å; L841-F850 HydrophobicContact CB-CD2 4.34Å; L841-F850 HydrophobicContact CB-CE2 4.21Å; L841-F850 HydrophobicContact CD1-CD2 4.33Å; L841-F850 HydrophobicContact CD1-CE2 3.76Å; N842-F850 PolarHBondContact ND2-O 3.5Å; N842-F850 PolarHBondContact OD1-N 3.45Å; A848-F850 VanDerWaalsContact C-N 3.35Å; A848-F850 PolarHBondContact O-N 3.28Å; F850-T995 HydrophobicContact CD1-CG2 4.25Å; F850-T995 HydrophobicContact CE1-CG2 3.61Å; F850-L999 HydrophobicContact CE2-CD1 4.27Å; F850-L999 HydrophobicContact CZ-CB 4.38Å; F850-L999 HydrophobicContact CZ-CD1 4.36Å; F850-L999 HydrophobicContact CZ-CD2 4.19Å
851	P	91.1	Very high	83.4	Confident	36 Å²	36	67.8 Å²	67.8	23%	0.234	34%	0.343	C	S	.	.			trans	-63.8	155.1	161.3	28.4	-31.1	0	0	0	110	R817 P853	R817-P851 VanDerWaalsContact C-CG 3.49Å; R817-P851 HydrophobicContact CB-CG 3.92Å; R817-P851 VanDerWaalsContact O-CG 3.28Å; R817-P851 WeakPolarHBondContact O-CG 3.28Å; P851-P853 VanDerWaalsContact O-CD 3.28Å; P851-P853 WeakPolarHBondContact O-CD 3.5Å
852	I	93.2	Very high	82.4	Confident	58 Å²	58	73.3 Å²	73.3	30%	0.297	36%	0.363	S	S	.	.			trans	-91.3	107.7	176.5	-54.5	-51.6	0	0	0	108.3	Q835 A838 R839 R854	Q835-I852 HydrophobicContact CB-CG2 4.16Å; Q835-I852 HydrophobicContact CG-CG2 3.96Å; A838-I852 HydrophobicContact CB-CD1 3.62Å; R839-I852 HydrophobicContact CB-CD1 4.43Å; R839-I852 HydrophobicContact CG-CD1 3.56Å; R839-I852 HydrophobicContact CG-CG1 4.08Å; I852-R854 PolarHBondContact O-N 3.34Å
853	P	91.9	Very high	81.9	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-65.5	133	-172.4	24	-33.1	0	0	0	111.3	I813 P818 V821 L831 T834 Q835 P851	I813-P853 HydrophobicContact CG2-CG 4.26Å; P818-P853 HydrophobicContact CG-CB 4.36Å; V821-P853 HydrophobicContact CG2-CB 3.63Å; L831-P853 HydrophobicContact CD1-CB 4.44Å; L831-P853 HydrophobicContact CD1-CG 4.16Å; T834-P853 HydrophobicContact CG2-CG 4.5Å; Q835-P853 HydrophobicContact CG-CG 4.21Å; Q835-P853 PolarHBondContact NE2-O 3.46Å; P851-P853 VanDerWaalsContact O-CD 3.28Å; P851-P853 WeakPolarHBondContact O-CD 3.5Å
854	R	91.4	Very high	81.7	Confident	137 Å²	137	69.7 Å²	69.7	52%	0.517	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.6	173.6	-67.6	-178.7	-67.1	165	1.8	110.6	E677 D819 V820 V821 I852	E677-R854 IonicContact OE1-CZ 2.83Å; E677-R854 IonicContact OE1-NH2 3.92Å; E677-R854 PolarHBondContact OE1-NH2 3.47Å; E677-R854 IonicContact OE2-NH2 3.85Å; D819-R854 WeakPolarHBondContact O-CB 3.38Å; D819-R854 PolarHBondContact O-N 3.1Å; V820-R854 WeakPolarHBondContact CA-O 3.44Å; V821-R854 PolarHBondContact N-O 2.69Å; I852-R854 PolarHBondContact O-N 3.34Å
855	Q	88.4	Confident	81.6	Confident	64 Å²	64	61.5 Å²	61.5	30%	0.299	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.3	172.7	179.5	162	2.1	0	0	109.8	V823 T828 L831 M857	V823-Q855 HydrophobicContact CG2-CG 3.58Å; T828-Q855 PolarHBondContact OG1-NE2 3.43Å; L831-Q855 HydrophobicContact CD2-CB 3.57Å; L831-Q855 HydrophobicContact CD2-CG 4Å; Q855-M857 HydrophobicContact CG-SD 4.39Å; Q855-M857 PolarHBondContact NE2-SD 3.39Å; Q855-M857 VanDerWaalsContact NE2-SD 3.36Å
856	M	83.2	Confident	81.6	Confident	50 Å²	50	58.9 Å²	58.9	25%	0.246	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.3	164.5	-176.3	177.3	60.2	0	0	109.2	Q700 L704 V820 V821 P822 V823	Q700-M856 HydrophobicContact CG-CE 3.96Å; L704-M856 HydrophobicContact CD1-CE 3.42Å; L704-M856 VanDerWaalsContact CD1-CE 3.42Å; L704-M856 HydrophobicContact CD2-CE 3.76Å; L704-M856 HydrophobicContact CD2-SD 4.13Å; L704-M856 HydrophobicContact CG-CE 3.93Å; V820-M856 HydrophobicContact CG1-CB 3.53Å; V820-M856 HydrophobicContact CG1-CE 4.3Å; V820-M856 HydrophobicContact CG1-CG 4.47Å; V820-M856 HydrophobicContact CG1-SD 4.32Å; V821-M856 PolarHBondContact O-N 3.21Å; V821-M856 VanDerWaalsContact O-N 3.09Å; P822-M856 WeakPolarHBondContact CA-O 3.47Å; P822-M856 HydrophobicContact CB-CE 3.76Å; P822-M856 HydrophobicContact CG-CE 4.35Å; V823-M856 PolarHBondContact N-O 3.5Å; V823-M856 VanDerWaalsContact N-O 3.1Å
857	M	70.2	Confident	81.8	Confident	93 Å²	93	54.3 Å²	54.3	46%	0.458	27%	0.274	S	S	.	.			trans	-76.1	143.8	178.5	-65.2	-71.2	-70.9	0	0	110	Q700 E825 Q855	Q700-M857 PolarHBondContact NE2-O 3.02Å; E825-M857 HydrophobicContact CG-CE 3.37Å; E825-M857 HydrophobicContact CG-SD 4.45Å; Q855-M857 HydrophobicContact CG-SD 4.39Å; Q855-M857 PolarHBondContact NE2-SD 3.39Å; Q855-M857 VanDerWaalsContact NE2-SD 3.36Å
858	A	65.3	Low	81.9	Confident	29 Å²	29	54.5 Å²	54.5	24%	0.24	27%	0.271	C	S	.	.			trans	-64.8	140.4	169.9	0	0	0	0	0	109.8	W860	A858-W860 VanDerWaalsContact C-N 3.27Å; A858-W860 PolarHBondContact O-N 3.17Å
859	Q	65.9	Low	81.9	Confident	122 Å²	122	51.4 Å²	51.4	57%	0.57	24%	0.244	S	C	*	.	S	Bend	trans	-65.8	-33.7	-179	-167.3	-167.9	26.1	0	0	112	R703	R703-Q859 VanDerWaalsContact NH1-CD 3.3Å
860	W	65.7	Low	81.7	Confident	39 Å²	39	55.3 Å²	55.3	15%	0.148	28%	0.277	C	S	.	.	S	Bend	trans	-104.6	131.3	-176.3	-62.2	105	0	0	0	111.2	A858 C926 A927	A858-W860 VanDerWaalsContact C-N 3.27Å; A858-W860 PolarHBondContact O-N 3.17Å; W860-C926 HydrophobicContact CH2-CB 3.72Å; W860-C926 WeakPolarHBondContact CH2-O 3.41Å; W860-C926 WeakPolarHBondContact CZ2-O 3.45Å; W860-C926 HydrophobicContact CZ3-CB 3.59Å; W860-A927 HydrophobicContact CD2-CB 3.96Å; W860-A927 HydrophobicContact CE3-CB 4.31Å; W860-A927 HydrophobicContact CG-CB 4.18Å
861	P	61.8	Low	81.3	Confident	65 Å²	65	60 Å²	60	42%	0.422	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-63.8	160.1	172.7	25.4	-31.5	0	0	0	111	I863	P861-I863 PolarHBondContact O-N 3.43Å; P861-I863 VanDerWaalsContact O-N 3.13Å
862	R	70.4	Confident	80.7	Confident	115 Å²	115	63.2 Å²	63.2	43%	0.434	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-52.2	119.3	-175.3	-66.9	178.9	-179.7	158.5	9.8	112	D826 K864	D826-R862 IonicContact OD1-CZ 3.87Å; D826-R862 IonicContact OD1-NE 3.28Å; D826-R862 IonicContact OD1-NH2 2.93Å; D826-R862 PolarHBondContact OD1-NH2 3.22Å; R862-K864 PolarHBondContact O-N 3.15Å
863	I	83.1	Confident	80.2	Confident	12 Å²	12	60.6 Å²	60.6	6%	0.062	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.2	125.7	168.5	-63	177.9	0	0	0	108.9	F695 P861 M873 I924	F695-I863 HydrophobicContact CB-CD1 3.64Å; F695-I863 HydrophobicContact CD2-CD1 3.4Å; F695-I863 HydrophobicContact CE2-CD1 4.39Å; F695-I863 HydrophobicContact CG-CD1 3.88Å; P861-I863 PolarHBondContact O-N 3.43Å; P861-I863 VanDerWaalsContact O-N 3.13Å; I863-M873 HydrophobicContact CG2-CE 4Å; I863-M873 PolarHBondContact O-N 3.44Å; I863-I924 HydrophobicContact CD1-CG1 4.29Å; I863-I924 HydrophobicContact CG1-CG1 4.39Å; I863-I924 HydrophobicContact CG2-CD1 3.85Å; I863-I924 HydrophobicContact CG2-CG1 3.72Å
864	K	86.6	Confident	79.5	Confident	56 Å²	56	62.5 Å²	62.5	24%	0.243	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	162	-177.7	-63	153.1	152.9	-147.9	0	110.8	R862 P869 K871 N920	R862-K864 PolarHBondContact O-N 3.15Å; K864-P869 WeakPolarHBondContact CD-O 3.4Å; K864-P869 WeakPolarHBondContact CE-O 3.36Å; K864-P869 PolarHBondContact NZ-O 2.92Å; K864-K871 WeakPolarHBondContact CA-O 3.3Å; K864-K871 WeakPolarHBondContact CB-O 3.29Å; K864-N920 HydrophobicContact CB-CB 4.47Å; K864-N920 WeakPolarHBondContact CB-OD1 3.48Å; K864-N920 HydrophobicContact CD-CB 4.46Å; K864-N920 PolarHBondContact N-OD1 2.89Å; K864-N920 PolarHBondContact O-ND2 2.97Å
865	S	88.7	Confident	78.5	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	137.7	177	-176.7	0	0	0	0	110.6	R867 N868 K871 D877 G882	S865-R867 PolarHBondContact O-N 3.24Å; S865-N868 WeakPolarHBondContact CB-O 3.28Å; S865-N868 CarbonylContact O-C 3.58Å; S865-N868 PolarHBondContact O-N 2.84Å; S865-K871 PolarHBondContact N-O 3.07Å; S865-D877 WeakPolarHBondContact CB-OD2 3.4Å; S865-D877 PolarHBondContact OG-OD2 2.88Å; S865-G882 PolarHBondContact OG-O 3.49Å
866	L	89.6	Confident	77.3	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.2	178.3	-65	-175.9	0	0	0	112.5	M873 G882 V884 R896 A900 I901 L921 I924	L866-M873 HydrophobicContact CG-CE 4.34Å; L866-G882 PolarHBondContact N-O 2.93Å; L866-V884 HydrophobicContact CD1-CG2 3.56Å; L866-R896 HydrophobicContact CD1-CB 4.4Å; L866-A900 HydrophobicContact CB-CB 3.99Å; L866-A900 HydrophobicContact CD2-CB 4.09Å; L866-A900 HydrophobicContact CG-CB 4.43Å; L866-A900 CarbonylContact O-C 3.51Å; L866-A900 WeakPolarHBondContact O-CA 3.2Å; L866-I901 PolarHBondContact O-N 2.99Å; L866-L921 HydrophobicContact CD2-CD2 3.74Å; L866-I924 HydrophobicContact CD2-CD1 3.92Å
867	R	88.3	Confident	76.4	Confident	102 Å²	102	58.8 Å²	58.8	39%	0.385	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-9.7	-178.3	-61.6	-70.8	-71.4	162	5.4	113	S865 D879 K881 K899 I901	S865-R867 PolarHBondContact O-N 3.24Å; R867-D879 WeakPolarHBondContact CG-OD2 2.99Å; R867-D879 IonicContact CZ-OD2 3.65Å; R867-D879 IonicContact NE-OD2 2.81Å; R867-D879 PolarHBondContact NE-OD2 3.24Å; R867-D879 IonicContact NH2-OD2 3.62Å; R867-K881 HydrophobicContact CG-CB 4.46Å; R867-K899 WeakPolarHBondContact CD-O 3.3Å; R867-K899 PolarHBondContact NH1-O 3.43Å; R867-I901 WeakPolarHBondContact O-CD1 3.38Å
868	N	85.2	Confident	76	Confident	61 Å²	61	62.2 Å²	62.2	33%	0.326	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	92.8	174.7	-169.5	-26.4	0	0	0	110.4	S865 A870 K871	S865-N868 WeakPolarHBondContact CB-O 3.28Å; S865-N868 CarbonylContact O-C 3.58Å; S865-N868 PolarHBondContact O-N 2.84Å; N868-A870 PolarHBondContact O-N 3.38Å; N868-A870 WeakPolarHBondContact OD1-CB 3.47Å; N868-A870 PolarHBondContact OD1-N 3.23Å; N868-K871 HydrophobicContact CB-CB 4.32Å; N868-K871 PolarHBondContact O-N 2.94Å
869	P	83.7	Confident	76.4	Confident	18 Å²	18	63.4 Å²	63.4	12%	0.117	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-6.3	179.8	-23	34.1	0	0	0	115	K864 P916	K864-P869 WeakPolarHBondContact CD-O 3.4Å; K864-P869 WeakPolarHBondContact CE-O 3.36Å; K864-P869 PolarHBondContact NZ-O 2.92Å; P869-P916 HydrophobicContact CB-CB 3.92Å; P869-P916 HydrophobicContact CB-CG 4.29Å
870	A	81.5	Confident	76.9	Confident	92 Å²	92	61.7 Å²	61.7	76%	0.76	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	-22	172.6	0	0	0	0	0	112.7	N868	N868-A870 PolarHBondContact O-N 3.38Å; N868-A870 WeakPolarHBondContact OD1-CB 3.47Å; N868-A870 PolarHBondContact OD1-N 3.23Å
871	K	81.5	Confident	77.6	Confident	106 Å²	106	63.8 Å²	63.8	46%	0.461	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.3	-180	-69.1	-175	178.1	-179.2	0	111.3	K864 S865 N868	K864-K871 WeakPolarHBondContact CA-O 3.3Å; K864-K871 WeakPolarHBondContact CB-O 3.29Å; S865-K871 PolarHBondContact N-O 3.07Å; N868-K871 HydrophobicContact CB-CB 4.32Å; N868-K871 PolarHBondContact O-N 2.94Å
872	K	79.9	Confident	78.5	Confident	102 Å²	102	60.7 Å²	60.7	44%	0.443	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.5	167.9	-177	-175.8	175.9	-176.7	0	108.4	S874	K872-S874 PolarHBondContact O-N 2.86Å; K872-S874 VanDerWaalsContact O-N 3.07Å
873	M	82.8	Confident	79.3	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.015	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-55.6	117.6	171.5	-173.4	178.2	-73.2	0	0	109.4	H690 I691 I863 L866 C883	H690-M873 HydrophobicContact CB-SD 4Å; H690-M873 PolarHBondContact CE1-O 3.43Å; H690-M873 PolarHBondContact ND1-SD 3.21Å; I691-M873 HydrophobicContact CD1-CE 4Å; I691-M873 HydrophobicContact CG1-CE 3.81Å; I691-M873 HydrophobicContact CG1-SD 3.69Å; I863-M873 HydrophobicContact CG2-CE 4Å; I863-M873 PolarHBondContact O-N 3.44Å; L866-M873 HydrophobicContact CG-CE 4.34Å; M873-C883 HydrophobicContact CG-CB 4.14Å; M873-C883 WeakPolarHBondContact CG-SG 3.4Å; M873-C883 HydrophobicContact SD-CB 4.37Å
874	S	76.9	Confident	79.6	Confident	41 Å²	41	54.8 Å²	54.8	29%	0.287	29%	0.294	S	S	.	.			trans	-132.8	141	-176.2	-175.4	0	0	0	0	110.2	K872 S876 D877 C883	K872-S874 PolarHBondContact O-N 2.86Å; K872-S874 VanDerWaalsContact O-N 3.07Å; S874-S876 PolarHBondContact O-N 2.9Å; S874-S876 PolarHBondContact OG-N 3.41Å; S874-S876 PolarHBondContact OG-OG 2.69Å; S874-D877 PolarHBondContact O-N 2.87Å; S874-C883 PolarHBondContact O-SG 3.22Å
875	K	69.1	Low	79.8	Confident	50 Å²	50	53.4 Å²	53.4	22%	0.217	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.8	174.8	-56	176.8	-167.3	177.8	0	112.8	S686 G687 R688	S686-K875 VanDerWaalsContact C-NZ 3.27Å; S686-K875 WeakPolarHBondContact O-CD 3.41Å; S686-K875 PolarHBondContact O-NZ 3.34Å; S686-K875 PolarHBondContact OG-NZ 3.14Å; G687-K875 PolarHBondContact O-NZ 2.81Å; R688-K875 WeakPolarHBondContact O-CE 3.5Å; R688-K875 PolarHBondContact O-NZ 3.16Å
876	S	63.6	Low	79.8	Confident	92 Å²	92	53.3 Å²	53.3	64%	0.643	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	7.4	179.6	71.8	0	0	0	0	113.7	S874	S874-S876 PolarHBondContact O-N 2.9Å; S874-S876 PolarHBondContact OG-N 3.41Å; S874-S876 PolarHBondContact OG-OG 2.69Å
877	D	63.6	Low	79.8	Confident	30 Å²	30	54.4 Å²	54.4	16%	0.16	29%	0.293	C	S	.	.			trans	-67.1	136.6	174.7	-85.2	-13.2	0	0	0	109.2	S865 S874 D879	S865-D877 WeakPolarHBondContact CB-OD2 3.4Å; S865-D877 PolarHBondContact OG-OD2 2.88Å; S874-D877 PolarHBondContact O-N 2.87Å; D877-D879 PolarHBondContact O-N 2.84Å; D877-D879 VanDerWaalsContact O-N 3.1Å
878	D	62.3	Low	79.9	Confident	166 Å²	166	49.8 Å²	49.8	89%	0.888	28%	0.275	S	S	*	.	S	Bend	trans	-57.7	-27.9	-178.8	-56.2	-47.2	0	0	0	112.2
879	D	75	Confident	80.3	Confident	53 Å²	53	49.2 Å²	49.2	28%	0.283	28%	0.275	S	S	.	.			trans	-103.9	103.2	177.9	-168.4	-7.9	0	0	0	110.9	R867 D877 K881 G882	R867-D879 WeakPolarHBondContact CG-OD2 2.99Å; R867-D879 IonicContact CZ-OD2 3.65Å; R867-D879 IonicContact NE-OD2 2.81Å; R867-D879 PolarHBondContact NE-OD2 3.24Å; R867-D879 IonicContact NH2-OD2 3.62Å; D877-D879 PolarHBondContact O-N 2.84Å; D877-D879 VanDerWaalsContact O-N 3.1Å; D879-K881 PolarHBondContact O-N 2.99Å; D879-K881 VanDerWaalsContact OD1-CB 3.25Å; D879-K881 WeakPolarHBondContact OD1-CB 3.42Å; D879-K881 PolarHBondContact OD1-N 3.05Å; D879-G882 PolarHBondContact O-N 3.21Å
880	V	76.6	Confident	80.6	Confident	87 Å²	87	50.7 Å²	50.7	53%	0.527	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.2	-27.2	176.7	-175.2	0	0	0	0	111.9	G882 C883	V880-G882 PolarHBondContact O-N 3.37Å; V880-C883 PolarHBondContact O-N 2.96Å
881	K	79.6	Confident	81.2	Confident	82 Å²	82	52.4 Å²	52.4	36%	0.357	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-70.5	-11.1	177.6	-61.3	168.5	175.3	156.5	0	112.8	R867 D879 C883 K899	R867-K881 HydrophobicContact CG-CB 4.46Å; D879-K881 PolarHBondContact O-N 2.99Å; D879-K881 VanDerWaalsContact OD1-CB 3.25Å; D879-K881 WeakPolarHBondContact OD1-CB 3.42Å; D879-K881 PolarHBondContact OD1-N 3.05Å; K881-C883 PolarHBondContact O-N 3.04Å; K881-K899 HydrophobicContact CD-CD 4.03Å
882	G	81.1	Confident	81.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-69.4	-17.2	172.4	0	0	0	0	0	114.4	S865 L866 D879 V880	S865-G882 PolarHBondContact OG-O 3.49Å; L866-G882 PolarHBondContact N-O 2.93Å; D879-G882 PolarHBondContact O-N 3.21Å; V880-G882 PolarHBondContact O-N 3.37Å
883	C	85.6	Confident	82.3	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.014	25%	0.245	C	C	.	.			trans	-116	148.7	-176.8	-67.9	0	0	0	0	111.8	M873 S874 V880 K881 R896	M873-C883 HydrophobicContact CG-CB 4.14Å; M873-C883 WeakPolarHBondContact CG-SG 3.4Å; M873-C883 HydrophobicContact SD-CB 4.37Å; S874-C883 PolarHBondContact O-SG 3.22Å; V880-C883 PolarHBondContact O-N 2.96Å; K881-C883 PolarHBondContact O-N 3.04Å; C883-R896 WeakPolarHBondContact O-CD 3.49Å; C883-R896 PolarHBondContact O-NH1 3.23Å
884	V	89.9	Confident	82.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	26%	0.257	C	S	.	.			trans	-117.6	126	168	-178.3	0	0	0	0	107.8	H690 I691 L866 I893 R896	H690-V884 CarbonylContact C-O 3.58Å; H690-V884 WeakPolarHBondContact CA-O 3.42Å; H690-V884 VanDerWaalsContact CB-O 3.23Å; H690-V884 WeakPolarHBondContact CB-O 3.28Å; I691-V884 HydrophobicContact CD1-CB 4.01Å; I691-V884 HydrophobicContact CD1-CG2 4.34Å; I691-V884 HydrophobicContact CG1-CB 4.16Å; I691-V884 HydrophobicContact CG2-CB 4.05Å; I691-V884 HydrophobicContact CG2-CG1 4.04Å; I691-V884 PolarHBondContact N-O 3.46Å; L866-V884 HydrophobicContact CD1-CG2 3.56Å; V884-I893 HydrophobicContact CG1-CG1 3.97Å; V884-I893 HydrophobicContact CG1-CG2 4.28Å; V884-R896 HydrophobicContact CG2-CB 4.26Å
885	Y	90.6	Very high	83.5	Confident	28 Å²	28	48.6 Å²	48.6	11%	0.11	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-91.3	147.3	178.1	-57.4	-77.6	0	0	0	111	R688 M689 H690 D887 D888	R688-Y885 HydrophobicContact CB-CD1 3.55Å; R688-Y885 HydrophobicContact CB-CE1 3.83Å; R688-Y885 HydrophobicContact CB-CG 4.18Å; M689-Y885 WeakPolarHBondContact O-CA 3.43Å; H690-Y885 HydrophobicContact CB-CD1 4.06Å; H690-Y885 HydrophobicContact CB-CE1 4.3Å; Y885-D887 VanDerWaalsContact CB-OD1 3.32Å; Y885-D887 WeakPolarHBondContact CB-OD1 3.39Å; Y885-D887 PolarHBondContact O-N 2.95Å; Y885-D888 WeakPolarHBondContact CB-OD2 3.48Å; Y885-D888 WeakPolarHBondContact CD2-OD2 3.35Å; Y885-D888 PolarHBondContact N-OD2 3.28Å; Y885-D888 WeakPolarHBondContact O-CB 3.38Å; Y885-D888 PolarHBondContact O-N 3.44Å
886	V	89.6	Confident	84.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.4	-177.2	-58.8	0	0	0	0	113.3	M689 Y694 F960 V963	M689-V886 HydrophobicContact CB-CG2 4.11Å; M689-V886 HydrophobicContact CE-CG1 4.18Å; M689-V886 HydrophobicContact CE-CG2 3.81Å; M689-V886 HydrophobicContact CG-CG1 4.33Å; M689-V886 HydrophobicContact CG-CG2 4.44Å; M689-V886 PolarHBondContact O-N 2.7Å; Y694-V886 HydrophobicContact CD2-CG1 4.46Å; Y694-V886 HydrophobicContact CG-CG1 4.34Å; V886-F960 HydrophobicContact CB-CD1 3.79Å; V886-F960 HydrophobicContact CB-CE1 4.04Å; V886-F960 HydrophobicContact CB-CG 4.41Å; V886-F960 HydrophobicContact CG1-CD1 3.9Å; V886-F960 HydrophobicContact CG1-CE1 3.59Å; V886-F960 HydrophobicContact CG1-CZ 4.14Å; V886-F960 WeakPolarHBondContact O-CB 3.31Å; V886-V963 HydrophobicContact CB-CG1 4.38Å; V886-V963 HydrophobicContact CG2-CG1 4.21Å
887	D	89.8	Confident	86	Confident	27 Å²	27	43.1 Å²	43.1	14%	0.144	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.3	178.9	62.4	-27.8	0	0	0	112.6	R688 Y885 R964 V967	R688-D887 IonicContact CZ-OD1 3.69Å; R688-D887 IonicContact CZ-OD2 3.35Å; R688-D887 IonicContact NE-OD1 3.75Å; R688-D887 PolarHBondContact NE-OD1 3.46Å; R688-D887 VanDerWaalsContact NE-OD1 3.15Å; R688-D887 IonicContact NE-OD2 3.54Å; R688-D887 PolarHBondContact NE-OD2 3.29Å; R688-D887 IonicContact NH2-OD1 3.62Å; R688-D887 PolarHBondContact NH2-OD1 2.76Å; R688-D887 IonicContact NH2-OD2 3.68Å; R688-D887 PolarHBondContact NH2-OD2 3.11Å; Y885-D887 VanDerWaalsContact CB-OD1 3.32Å; Y885-D887 WeakPolarHBondContact CB-OD1 3.39Å; Y885-D887 PolarHBondContact O-N 2.95Å; D887-R964 WeakPolarHBondContact O-CD 3.22Å; D887-V967 HydrophobicContact CB-CG1 4.32Å
888	D	90.3	Very high	87.3	Confident	4 Å²	4	47 Å²	47	2%	0.021	24%	0.241	C	C	.	.			trans	-64.8	138.4	177	-80.1	-24.3	0	0	0	111.3	R688 Y885 V892 I893 R896 R964	R688-D888 IonicContact CZ-OD1 2.81Å; R688-D888 IonicContact NH1-OD1 2.86Å; R688-D888 IonicContact NH2-OD1 3.99Å; R688-D888 PolarHBondContact NH2-OD1 3.07Å; Y885-D888 WeakPolarHBondContact CB-OD2 3.48Å; Y885-D888 WeakPolarHBondContact CD2-OD2 3.35Å; Y885-D888 PolarHBondContact N-OD2 3.28Å; Y885-D888 WeakPolarHBondContact O-CB 3.38Å; Y885-D888 PolarHBondContact O-N 3.44Å; D888-V892 HydrophobicContact CB-CB 4.25Å; D888-V892 HydrophobicContact CB-CG1 4.19Å; D888-I893 HydrophobicContact CB-CD1 4.46Å; D888-I893 HydrophobicContact CB-CG1 3.84Å; D888-R896 IonicContact OD1-NH2 3.5Å; D888-R896 IonicContact OD2-CZ 3.37Å; D888-R896 VanDerWaalsContact OD2-CZ 3.29Å; D888-R896 IonicContact OD2-NH1 3.91Å; D888-R896 PolarHBondContact OD2-NH1 3.08Å; D888-R896 IonicContact OD2-NH2 2.75Å; D888-R964 VanDerWaalsContact O-CD 3.28Å; D888-R964 WeakPolarHBondContact O-CD 3.45Å; D888-R964 PolarHBondContact O-NH1 3.24Å
889	P	92.7	Very high	88.6	Confident	50 Å²	50	43 Å²	43	33%	0.325	22%	0.216	S	C	.	.			trans	-56.6	152.2	169	-23.4	33.6	0	0	0	112.1	E891 V892 I893	P889-E891 WeakPolarHBondContact CB-OE2 3.49Å; P889-E891 PolarHBondContact O-N 3.35Å; P889-V892 HydrophobicContact CB-CG2 4.32Å; P889-V892 HydrophobicContact CG-CG2 4.26Å; P889-V892 PolarHBondContact O-N 2.99Å; P889-I893 PolarHBondContact O-N 2.99Å; P889-I893 VanDerWaalsContact O-N 3.09Å
890	P	91.6	Very high	89.4	Confident	48 Å²	48	40.8 Å²	40.8	31%	0.312	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-31.2	-176.3	27.2	-32.5	0	0	0	112.1	V892 I893 L894 A957 R964	P890-V892 VanDerWaalsContact C-N 3.33Å; P890-V892 PolarHBondContact O-N 3.48Å; P890-I893 PolarHBondContact O-N 3.16Å; P890-L894 WeakPolarHBondContact O-CB 3.37Å; P890-L894 PolarHBondContact O-N 2.88Å; P890-A957 HydrophobicContact CB-CB 3.91Å; P890-R964 VanDerWaalsContact N-NH1 3.13Å
891	E	92.9	Very high	90	Very high	129 Å²	129	40.2 Å²	40.2	60%	0.603	20%	0.198	S	C	*	.	H	α-helix	trans	-64.3	-39.4	177.3	-51.9	77	-164	0	0	111.4	P889 E895	P889-E891 WeakPolarHBondContact CB-OE2 3.49Å; P889-E891 PolarHBondContact O-N 3.35Å; E891-E895 WeakPolarHBondContact O-CB 3.39Å; E891-E895 PolarHBondContact O-N 2.87Å
892	V	92.2	Very high	90.4	Very high	38 Å²	38	38 Å²	38	23%	0.23	19%	0.191	C	C	.	.	H	α-helix	trans	-72.5	-40.3	178.5	178.8	0	0	0	0	110.8	D888 P889 P890 L894 E895 R896	D888-V892 HydrophobicContact CB-CB 4.25Å; D888-V892 HydrophobicContact CB-CG1 4.19Å; P889-V892 HydrophobicContact CB-CG2 4.32Å; P889-V892 HydrophobicContact CG-CG2 4.26Å; P889-V892 PolarHBondContact O-N 2.99Å; P890-V892 VanDerWaalsContact C-N 3.33Å; P890-V892 PolarHBondContact O-N 3.48Å; V892-L894 VanDerWaalsContact C-N 3.34Å; V892-E895 PolarHBondContact O-N 3.24Å; V892-R896 HydrophobicContact CG1-CG 4.45Å; V892-R896 VanDerWaalsContact O-CG 3.32Å; V892-R896 WeakPolarHBondContact O-CG 3.36Å; V892-R896 PolarHBondContact O-N 3.43Å
893	I	92.3	Very high	90.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-49.2	174.5	-63.2	174	0	0	0	109.4	V884 D888 P889 P890 E895 R896 V897 L956 A957	V884-I893 HydrophobicContact CG1-CG1 3.97Å; V884-I893 HydrophobicContact CG1-CG2 4.28Å; D888-I893 HydrophobicContact CB-CD1 4.46Å; D888-I893 HydrophobicContact CB-CG1 3.84Å; P889-I893 PolarHBondContact O-N 2.99Å; P889-I893 VanDerWaalsContact O-N 3.09Å; P890-I893 PolarHBondContact O-N 3.16Å; I893-E895 PolarHBondContact O-N 3.31Å; I893-R896 PolarHBondContact O-N 3.07Å; I893-V897 HydrophobicContact CG2-CG2 4.28Å; I893-V897 WeakPolarHBondContact O-CG2 3.37Å; I893-V897 PolarHBondContact O-N 3.33Å; I893-L956 HydrophobicContact CG2-CB 3.93Å; I893-L956 HydrophobicContact CG2-CD1 4.45Å; I893-A957 HydrophobicContact CD1-CB 4.37Å
894	L	93	Very high	90.7	Very high	50 Å²	50	50.2 Å²	50.2	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-58.3	-47	177.7	-175.6	66.1	0	0	0	111.9	P890 V892 R896 K898 L950 A953	P890-L894 WeakPolarHBondContact O-CB 3.37Å; P890-L894 PolarHBondContact O-N 2.88Å; V892-L894 VanDerWaalsContact C-N 3.34Å; L894-R896 VanDerWaalsContact C-N 3.35Å; L894-R896 PolarHBondContact O-N 3.48Å; L894-K898 HydrophobicContact CD1-CD 4.29Å; L894-K898 HydrophobicContact CD1-CG 4.4Å; L894-K898 HydrophobicContact CG-CD 4.11Å; L894-K898 VanDerWaalsContact O-CB 3.27Å; L894-K898 WeakPolarHBondContact O-CB 3.45Å; L894-K898 VanDerWaalsContact O-CG 3.24Å; L894-K898 WeakPolarHBondContact O-CG 3.34Å; L894-K898 PolarHBondContact O-N 3.36Å; L894-L950 HydrophobicContact CD1-CD2 3.91Å; L894-A953 HydrophobicContact CB-CB 4.32Å; L894-A953 HydrophobicContact CD1-CB 3.57Å
895	E	92.4	Very high	90.4	Very high	84 Å²	84	53.9 Å²	53.9	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-44.1	178.7	-165.7	-160.8	154.3	0	0	112	E891 V892 I893 K899	E891-E895 WeakPolarHBondContact O-CB 3.39Å; E891-E895 PolarHBondContact O-N 2.87Å; V892-E895 PolarHBondContact O-N 3.24Å; I893-E895 PolarHBondContact O-N 3.31Å; E895-K899 HydrophobicContact CG-CD 4.37Å; E895-K899 WeakPolarHBondContact O-CG 3.49Å; E895-K899 PolarHBondContact O-N 3.31Å; E895-K899 IonicContact OE1-NZ 3.45Å; E895-K899 PolarHBondContact OE1-NZ 2.87Å
896	R	91.9	Very high	90.2	Very high	25 Å²	25	56.2 Å²	56.2	9%	0.094	29%	0.289	C	S	.	.	H	α-helix	trans	-72.4	-41.7	-177.1	-68.2	-169.5	-171.2	159.6	10.6	112.7	L866 C883 V884 D888 V892 I893 L894 K899 A900	L866-R896 HydrophobicContact CD1-CB 4.4Å; C883-R896 WeakPolarHBondContact O-CD 3.49Å; C883-R896 PolarHBondContact O-NH1 3.23Å; V884-R896 HydrophobicContact CG2-CB 4.26Å; D888-R896 IonicContact OD1-NH2 3.5Å; D888-R896 IonicContact OD2-CZ 3.37Å; D888-R896 VanDerWaalsContact OD2-CZ 3.29Å; D888-R896 IonicContact OD2-NH1 3.91Å; D888-R896 PolarHBondContact OD2-NH1 3.08Å; D888-R896 IonicContact OD2-NH2 2.75Å; V892-R896 HydrophobicContact CG1-CG 4.45Å; V892-R896 VanDerWaalsContact O-CG 3.32Å; V892-R896 WeakPolarHBondContact O-CG 3.36Å; V892-R896 PolarHBondContact O-N 3.43Å; I893-R896 PolarHBondContact O-N 3.07Å; L894-R896 VanDerWaalsContact C-N 3.35Å; L894-R896 PolarHBondContact O-N 3.48Å; R896-K899 PolarHBondContact O-N 3.03Å; R896-A900 PolarHBondContact O-N 3.34Å
897	V	92.6	Very high	90.1	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-41.3	176.5	177.4	0	0	0	0	110.7	I893 K899 A900 K949 L952 A953 L956	I893-V897 HydrophobicContact CG2-CG2 4.28Å; I893-V897 WeakPolarHBondContact O-CG2 3.37Å; I893-V897 PolarHBondContact O-N 3.33Å; V897-K899 VanDerWaalsContact C-N 3.25Å; V897-K899 PolarHBondContact O-N 2.66Å; V897-A900 WeakPolarHBondContact O-CB 3.31Å; V897-A900 PolarHBondContact O-N 2.89Å; V897-A900 VanDerWaalsContact O-N 3.1Å; V897-K949 HydrophobicContact CG1-CB 4.1Å; V897-K949 HydrophobicContact CG1-CG 4.34Å; V897-K949 WeakPolarHBondContact CG1-O 3.16Å; V897-L952 HydrophobicContact CG1-CB 4.35Å; V897-L952 HydrophobicContact CG1-CD2 4.05Å; V897-L952 HydrophobicContact CG1-CG 4.22Å; V897-A953 HydrophobicContact CB-CB 4.08Å; V897-A953 HydrophobicContact CG1-CB 4.29Å; V897-A953 HydrophobicContact CG2-CB 4.31Å; V897-L956 HydrophobicContact CG2-CD1 4.02Å
898	K	91.5	Very high	90.1	Very high	111 Å²	111	57.6 Å²	57.6	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-56.3	-39.3	173.2	-80	179.4	175.1	179.3	0	112.4	L894 A900 L950	L894-K898 HydrophobicContact CD1-CD 4.29Å; L894-K898 HydrophobicContact CD1-CG 4.4Å; L894-K898 HydrophobicContact CG-CD 4.11Å; L894-K898 VanDerWaalsContact O-CB 3.27Å; L894-K898 WeakPolarHBondContact O-CB 3.45Å; L894-K898 VanDerWaalsContact O-CG 3.24Å; L894-K898 WeakPolarHBondContact O-CG 3.34Å; L894-K898 PolarHBondContact O-N 3.36Å; K898-A900 VanDerWaalsContact C-N 3.32Å; K898-A900 PolarHBondContact O-N 3.36Å; K898-L950 HydrophobicContact CD-CD2 4.49Å
899	K	90.3	Very high	90.1	Very high	84 Å²	84	59.2 Å²	59.2	37%	0.365	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.1	-179.7	-69.6	178.8	-176.9	172.9	0	114.6	R867 K881 E895 R896 V897	R867-K899 WeakPolarHBondContact CD-O 3.3Å; R867-K899 PolarHBondContact NH1-O 3.43Å; K881-K899 HydrophobicContact CD-CD 4.03Å; E895-K899 HydrophobicContact CG-CD 4.37Å; E895-K899 WeakPolarHBondContact O-CG 3.49Å; E895-K899 PolarHBondContact O-N 3.31Å; E895-K899 IonicContact OE1-NZ 3.45Å; E895-K899 PolarHBondContact OE1-NZ 2.87Å; R896-K899 PolarHBondContact O-N 3.03Å; V897-K899 VanDerWaalsContact C-N 3.25Å; V897-K899 PolarHBondContact O-N 2.66Å
900	A	90.2	Very high	89.9	Confident	5 Å²	5	60 Å²	60	4%	0.041	31%	0.311	C	S	.	.	S	Bend	trans	-63.7	140.1	175.7	0	0	0	0	0	111.2	L866 R896 V897 K898 T902 L921 K949	L866-A900 HydrophobicContact CB-CB 3.99Å; L866-A900 HydrophobicContact CD2-CB 4.09Å; L866-A900 HydrophobicContact CG-CB 4.43Å; L866-A900 CarbonylContact O-C 3.51Å; L866-A900 WeakPolarHBondContact O-CA 3.2Å; R896-A900 PolarHBondContact O-N 3.34Å; V897-A900 WeakPolarHBondContact O-CB 3.31Å; V897-A900 PolarHBondContact O-N 2.89Å; V897-A900 VanDerWaalsContact O-N 3.1Å; K898-A900 VanDerWaalsContact C-N 3.32Å; K898-A900 PolarHBondContact O-N 3.36Å; A900-T902 PolarHBondContact O-N 3.37Å; A900-L921 HydrophobicContact CB-CD1 4.34Å; A900-L921 HydrophobicContact CB-CD2 4Å; A900-K949 PolarHBondContact O-NZ 2.53Å
901	I	88.9	Confident	89.8	Confident	75 Å²	75	61 Å²	61	39%	0.385	31%	0.311	S	S	.	.			trans	-72.7	124.8	179.7	-64.1	-175.2	0	0	0	109.8	L866 R867	L866-I901 PolarHBondContact O-N 2.99Å; R867-I901 WeakPolarHBondContact O-CD1 3.38Å
902	T	88.2	Confident	89.3	Confident	36 Å²	36	57.3 Å²	57.3	22%	0.221	30%	0.298	C	S	.	.			trans	-130	158.1	169.7	50.2	0	0	0	0	108.2	A900 V918 L921 K949	A900-T902 PolarHBondContact O-N 3.37Å; T902-V918 HydrophobicContact CG2-CG2 3.88Å; T902-L921 HydrophobicContact CG2-CD1 3.71Å; T902-K949 PolarHBondContact OG1-NZ 2.74Å
903	D	87.1	Confident	89	Confident	46 Å²	46	64.5 Å²	64.5	25%	0.246	33%	0.33	C	S	.	.			trans	-68.1	179.3	169.3	51.9	52	0	0	0	111.7	V905 R915	D903-V905 VanDerWaalsContact C-N 3.26Å; D903-V905 PolarHBondContact O-N 3.28Å; D903-V905 PolarHBondContact OD1-N 2.86Å; D903-V905 VanDerWaalsContact OD1-N 3.1Å; D903-R915 VanDerWaalsContact CG-NE 3.33Å; D903-R915 IonicContact OD1-CZ 3.35Å; D903-R915 IonicContact OD1-NE 2.64Å; D903-R915 PolarHBondContact OD1-NE 3.19Å; D903-R915 IonicContact OD1-NH2 3.68Å; D903-R915 PolarHBondContact OD1-NH2 3.44Å; D903-R915 WeakPolarHBondContact OD2-CB 3.35Å; D903-R915 VanDerWaalsContact OD2-CG 3.31Å; D903-R915 WeakPolarHBondContact OD2-CG 3.18Å; D903-R915 IonicContact OD2-CZ 3.14Å; D903-R915 IonicContact OD2-NE 3.61Å; D903-R915 PolarHBondContact OD2-NE 3.22Å; D903-R915 IonicContact OD2-NH2 3.69Å; D903-R915 PolarHBondContact OD2-NH2 3.11Å
904	F	86	Confident	88.7	Confident	213 Å²	213	72.2 Å²	72.2	93%	0.934	37%	0.365	S	S	*	.	S	Bend	trans	-81.9	1.3	179.9	-60.9	-73.5	0	0	0	113.6
905	V	85.4	Confident	88.6	Confident	77 Å²	77	70.5 Å²	70.5	47%	0.467	36%	0.355	S	S	.	.			trans	-88	121.8	-178.2	177.6	0	0	0	0	109.2	D903 A907 R915 T945	D903-V905 VanDerWaalsContact C-N 3.26Å; D903-V905 PolarHBondContact O-N 3.28Å; D903-V905 PolarHBondContact OD1-N 2.86Å; D903-V905 VanDerWaalsContact OD1-N 3.1Å; V905-A907 VanDerWaalsContact C-N 3.33Å; V905-A907 HydrophobicContact CG1-CB 4.35Å; V905-A907 PolarHBondContact O-N 3.41Å; V905-R915 PolarHBondContact O-NH2 3.34Å; V905-T945 WeakPolarHBondContact O-CG2 3.37Å
906	S	85.8	Confident	88.5	Confident	77 Å²	77	68.7 Å²	68.7	54%	0.538	35%	0.351	S	S	.	.			trans	-70.7	-24.8	-174.5	-52.2	0	0	0	0	114.1	T944 T945	S906-T944 CarbonylContact O-C 3.55Å; S906-T944 VanDerWaalsContact O-CA 3.31Å; S906-T944 WeakPolarHBondContact O-CA 3.35Å; S906-T945 PolarHBondContact O-N 3.01Å
907	A	87.7	Confident	88.4	Confident	49 Å²	49	67.9 Å²	67.9	41%	0.405	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-74.1	146.6	-179.1	0	0	0	0	0	112.2	V905 T909 R915	V905-A907 VanDerWaalsContact C-N 3.33Å; V905-A907 HydrophobicContact CG1-CB 4.35Å; V905-A907 PolarHBondContact O-N 3.41Å; A907-T909 HydrophobicContact CB-CG2 4.42Å; A907-T909 PolarHBondContact O-N 3.21Å; A907-R915 VanDerWaalsContact O-CZ 3.28Å; A907-R915 PolarHBondContact O-NH1 2.86Å; A907-R915 PolarHBondContact O-NH2 3.07Å
908	V	88.9	Confident	88.3	Confident	8 Å²	8	67.9 Å²	67.9	5%	0.048	35%	0.35	C	S	.	.			trans	-91.4	98.5	175.1	-177	0	0	0	0	109.1	V918 I922 F940 T945 F948	V908-V918 HydrophobicContact CG1-CG1 4.45Å; V908-I922 HydrophobicContact CG1-CD1 3.83Å; V908-I922 HydrophobicContact CG1-CG1 4.01Å; V908-F940 HydrophobicContact CB-CB 3.92Å; V908-F940 HydrophobicContact CG1-CB 4.05Å; V908-F940 HydrophobicContact CG2-CB 4.09Å; V908-T945 HydrophobicContact CG2-CG2 4.36Å; V908-F948 HydrophobicContact CG1-CD1 4.24Å; V908-F948 HydrophobicContact CG1-CE1 4.4Å; V908-F948 HydrophobicContact CG1-CG 4.35Å; V908-F948 HydrophobicContact CG2-CB 3.8Å; V908-F948 HydrophobicContact CG2-CD1 4.27Å; V908-F948 HydrophobicContact CG2-CG 4.06Å
909	T	90.1	Very high	88.3	Confident	38 Å²	38	62.7 Å²	62.7	23%	0.233	33%	0.328	C	S	.	.			trans	-121.4	153.1	175.9	69.8	0	0	0	0	111.1	A907 E911 R915 I922	A907-T909 HydrophobicContact CB-CG2 4.42Å; A907-T909 PolarHBondContact O-N 3.21Å; T909-E911 VanDerWaalsContact CB-OE1 3.3Å; T909-E911 WeakPolarHBondContact CB-OE1 3.42Å; T909-E911 PolarHBondContact OG1-OE1 3.26Å; T909-R915 PolarHBondContact OG1-NH1 3.01Å; T909-I922 WeakPolarHBondContact O-CD1 3.38Å
910	Y	89.5	Confident	88.4	Confident	66 Å²	66	58.9 Å²	58.9	26%	0.259	31%	0.312	S	S	.	.			trans	-101.6	87.8	-179.9	-175	-108.2	0	0	0	111.5	P912 A919 I922 R923 E933	Y910-P912 HydrophobicContact CD1-CG 4.22Å; Y910-P912 HydrophobicContact CE1-CG 3.69Å; Y910-P912 HydrophobicContact CE2-CG 4.05Å; Y910-A919 HydrophobicContact CD2-CB 3.95Å; Y910-A919 HydrophobicContact CE2-CB 3.95Å; Y910-I922 HydrophobicContact CD2-CB 4.23Å; Y910-I922 HydrophobicContact CD2-CD1 4.23Å; Y910-I922 HydrophobicContact CD2-CG2 3.95Å; Y910-R923 HydrophobicContact CE2-CG 4.1Å; Y910-R923 PolarHBondContact OH-NE 2.99Å; Y910-R923 PolarHBondContact OH-NH2 3.37Å; Y910-E933 HydrophobicContact CD1-CB 4.16Å; Y910-E933 HydrophobicContact CD1-CG 4.38Å; Y910-E933 HydrophobicContact CD2-CB 4.48Å; Y910-E933 HydrophobicContact CD2-CG 4.33Å; Y910-E933 HydrophobicContact CE1-CB 4.26Å; Y910-E933 HydrophobicContact CE1-CG 4.04Å; Y910-E933 HydrophobicContact CE2-CG 4.02Å; Y910-E933 HydrophobicContact CG-CB 4.24Å; Y910-E933 HydrophobicContact CG-CG 4.49Å
911	E	88.4	Confident	88.5	Confident	69 Å²	69	58.8 Å²	58.8	32%	0.322	31%	0.311	S	S	.	.			trans	-124.6	90.4	176.6	-71.2	147.3	-138.1	0	0	109.1	T909 E913 E914 R915	T909-E911 VanDerWaalsContact CB-OE1 3.3Å; T909-E911 WeakPolarHBondContact CB-OE1 3.42Å; T909-E911 PolarHBondContact OG1-OE1 3.26Å; E911-E913 VanDerWaalsContact C-N 3.26Å; E911-E913 PolarHBondContact O-N 3.48Å; E911-E914 HydrophobicContact CB-CB 4.3Å; E911-R915 HydrophobicContact CB-CB 4.24Å; E911-R915 HydrophobicContact CB-CG 4.25Å; E911-R915 CarbonylContact O-C 3.59Å; E911-R915 WeakPolarHBondContact O-CA 3.38Å; E911-R915 PolarHBondContact O-N 3Å; E911-R915 WeakPolarHBondContact OE2-CD 3.42Å
912	P	83.7	Confident	88.7	Confident	51 Å²	51	55.2 Å²	55.2	33%	0.331	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.6	-171.6	-26.1	35.5	0	0	0	115.5	Y910 A919	Y910-P912 HydrophobicContact CD1-CG 4.22Å; Y910-P912 HydrophobicContact CE1-CG 3.69Å; Y910-P912 HydrophobicContact CE2-CG 4.05Å; P912-A919 HydrophobicContact CB-CB 4.42Å; P912-A919 HydrophobicContact CG-CB 4.46Å
913	E	85.4	Confident	88.8	Confident	190 Å²	190	55.9 Å²	55.9	89%	0.888	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-46.3	-179.3	-61.7	-167.7	174.1	0	0	111.8	E911	E911-E913 VanDerWaalsContact C-N 3.26Å; E911-E913 PolarHBondContact O-N 3.48Å
914	E	86.8	Confident	89	Confident	161 Å²	161	53.7 Å²	53.7	75%	0.752	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-38.2	-176.9	-60	-174.4	-176.2	0	0	112.7	E911 P916	E911-E914 HydrophobicContact CB-CB 4.3Å; E914-P916 VanDerWaalsContact O-CD 3.28Å; E914-P916 WeakPolarHBondContact O-CD 3.33Å
915	R	89.5	Confident	89.3	Confident	14 Å²	14	44.1 Å²	44.1	5%	0.053	24%	0.237	C	C	.	.			trans	-122.8	58.7	-174.1	-56.6	-174.9	69	-168.2	2	112.1	D903 V905 A907 T909 E911 G917 V918 A919	D903-R915 VanDerWaalsContact CG-NE 3.33Å; D903-R915 IonicContact OD1-CZ 3.35Å; D903-R915 IonicContact OD1-NE 2.64Å; D903-R915 PolarHBondContact OD1-NE 3.19Å; D903-R915 IonicContact OD1-NH2 3.68Å; D903-R915 PolarHBondContact OD1-NH2 3.44Å; D903-R915 WeakPolarHBondContact OD2-CB 3.35Å; D903-R915 VanDerWaalsContact OD2-CG 3.31Å; D903-R915 WeakPolarHBondContact OD2-CG 3.18Å; D903-R915 IonicContact OD2-CZ 3.14Å; D903-R915 IonicContact OD2-NE 3.61Å; D903-R915 PolarHBondContact OD2-NE 3.22Å; D903-R915 IonicContact OD2-NH2 3.69Å; D903-R915 PolarHBondContact OD2-NH2 3.11Å; V905-R915 PolarHBondContact O-NH2 3.34Å; A907-R915 VanDerWaalsContact O-CZ 3.28Å; A907-R915 PolarHBondContact O-NH1 2.86Å; A907-R915 PolarHBondContact O-NH2 3.07Å; T909-R915 PolarHBondContact OG1-NH1 3.01Å; E911-R915 HydrophobicContact CB-CB 4.24Å; E911-R915 HydrophobicContact CB-CG 4.25Å; E911-R915 CarbonylContact O-C 3.59Å; E911-R915 WeakPolarHBondContact O-CA 3.38Å; E911-R915 PolarHBondContact O-N 3Å; E911-R915 WeakPolarHBondContact OE2-CD 3.42Å; R915-G917 VanDerWaalsContact C-N 3.26Å; R915-G917 PolarHBondContact O-N 2.86Å; R915-G917 VanDerWaalsContact O-N 3.15Å; R915-V918 HydrophobicContact CB-CB 4.5Å; R915-V918 PolarHBondContact O-N 2.8Å; R915-A919 WeakPolarHBondContact O-CB 3.29Å; R915-A919 PolarHBondContact O-N 3.26Å
916	P	90.2	Very high	89.5	Confident	47 Å²	47	40.4 Å²	40.4	31%	0.305	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-27.3	-169.9	26.9	-36.7	0	0	0	113.9	P869 E914 N920	P869-P916 HydrophobicContact CB-CB 3.92Å; P869-P916 HydrophobicContact CB-CG 4.29Å; E914-P916 VanDerWaalsContact O-CD 3.28Å; E914-P916 WeakPolarHBondContact O-CD 3.33Å; P916-N920 VanDerWaalsContact O-CB 3.3Å; P916-N920 WeakPolarHBondContact O-CB 3.24Å; P916-N920 PolarHBondContact O-N 3.23Å
917	G	90.2	Very high	89.6	Confident	7 Å²	7	37.3 Å²	37.3	7%	0.072	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-50.5	176.9	0	0	0	0	0	112.5	R915 N920 L921	R915-G917 VanDerWaalsContact C-N 3.26Å; R915-G917 PolarHBondContact O-N 2.86Å; R915-G917 VanDerWaalsContact O-N 3.15Å; G917-N920 WeakPolarHBondContact O-CB 3.33Å; G917-N920 PolarHBondContact O-N 3.27Å; G917-L921 PolarHBondContact O-N 3.37Å
918	V	91.3	Very high	89.7	Confident	1 Å²	1	36 Å²	36	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-66.2	-44.4	177.9	-178.3	0	0	0	0	110.4	T902 V908 R915 N920 L921 I922 T945	T902-V918 HydrophobicContact CG2-CG2 3.88Å; V908-V918 HydrophobicContact CG1-CG1 4.45Å; R915-V918 HydrophobicContact CB-CB 4.5Å; R915-V918 PolarHBondContact O-N 2.8Å; V918-N920 VanDerWaalsContact C-N 3.26Å; V918-N920 PolarHBondContact O-N 2.95Å; V918-L921 PolarHBondContact O-N 3.47Å; V918-L921 VanDerWaalsContact O-N 3.07Å; V918-I922 HydrophobicContact CG1-CD1 4.03Å; V918-I922 HydrophobicContact CG1-CG1 4.44Å; V918-I922 WeakPolarHBondContact O-CG1 3.44Å; V918-I922 PolarHBondContact O-N 3.42Å; V918-T945 HydrophobicContact CG2-CG2 4.34Å
919	A	91.6	Very high	89.7	Confident	3 Å²	3	38 Å²	38	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-34.6	174.7	0	0	0	0	0	113	Y910 P912 R915 R923	Y910-A919 HydrophobicContact CD2-CB 3.95Å; Y910-A919 HydrophobicContact CE2-CB 3.95Å; P912-A919 HydrophobicContact CB-CB 4.42Å; P912-A919 HydrophobicContact CG-CB 4.46Å; R915-A919 WeakPolarHBondContact O-CB 3.29Å; R915-A919 PolarHBondContact O-N 3.26Å; A919-R923 VanDerWaalsContact O-CG 3.31Å; A919-R923 WeakPolarHBondContact O-CG 3.35Å; A919-R923 PolarHBondContact O-N 3.29Å; A919-R923 VanDerWaalsContact O-N 3.08Å
920	N	91.9	Very high	89.4	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-44	173.6	-173.6	51.5	0	0	0	111.7	K864 P916 G917 V918 R923 I924	K864-N920 HydrophobicContact CB-CB 4.47Å; K864-N920 WeakPolarHBondContact CB-OD1 3.48Å; K864-N920 HydrophobicContact CD-CB 4.46Å; K864-N920 PolarHBondContact N-OD1 2.89Å; K864-N920 PolarHBondContact O-ND2 2.97Å; P916-N920 VanDerWaalsContact O-CB 3.3Å; P916-N920 WeakPolarHBondContact O-CB 3.24Å; P916-N920 PolarHBondContact O-N 3.23Å; G917-N920 WeakPolarHBondContact O-CB 3.33Å; G917-N920 PolarHBondContact O-N 3.27Å; V918-N920 VanDerWaalsContact C-N 3.26Å; V918-N920 PolarHBondContact O-N 2.95Å; N920-R923 PolarHBondContact O-N 3.17Å; N920-I924 VanDerWaalsContact O-CG1 3.32Å; N920-I924 WeakPolarHBondContact O-CG1 3.3Å; N920-I924 PolarHBondContact O-N 2.9Å
921	L	92.6	Very high	89.3	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-42	177.7	-64.7	-179.7	0	0	0	112.2	L866 A900 T902 G917 V918 R923 I924 Y925 F948 K949 L952	L866-L921 HydrophobicContact CD2-CD2 3.74Å; A900-L921 HydrophobicContact CB-CD1 4.34Å; A900-L921 HydrophobicContact CB-CD2 4Å; T902-L921 HydrophobicContact CG2-CD1 3.71Å; G917-L921 PolarHBondContact O-N 3.37Å; V918-L921 PolarHBondContact O-N 3.47Å; V918-L921 VanDerWaalsContact O-N 3.07Å; L921-R923 VanDerWaalsContact C-N 3.31Å; L921-R923 PolarHBondContact O-N 3.36Å; L921-I924 HydrophobicContact CD2-CD1 4.4Å; L921-I924 PolarHBondContact O-N 2.83Å; L921-I924 VanDerWaalsContact O-N 3.17Å; L921-Y925 PolarHBondContact O-N 3.13Å; L921-F948 HydrophobicContact CB-CD1 4.46Å; L921-F948 HydrophobicContact CB-CE1 3.53Å; L921-F948 HydrophobicContact CB-CZ 4.17Å; L921-F948 HydrophobicContact CD1-CE1 4.48Å; L921-K949 HydrophobicContact CD1-CG 4.02Å; L921-L952 HydrophobicContact CB-CD2 3.99Å; L921-L952 HydrophobicContact CD2-CD2 3.79Å; L921-L952 HydrophobicContact CG-CD2 4.39Å
922	I	92	Very high	89.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.3	-46.5	172.9	-68	170.8	0	0	0	110.1	V908 T909 Y910 V918 I924 Y925 C926 E933 V936 V937 F948	V908-I922 HydrophobicContact CG1-CD1 3.83Å; V908-I922 HydrophobicContact CG1-CG1 4.01Å; T909-I922 WeakPolarHBondContact O-CD1 3.38Å; Y910-I922 HydrophobicContact CD2-CB 4.23Å; Y910-I922 HydrophobicContact CD2-CD1 4.23Å; Y910-I922 HydrophobicContact CD2-CG2 3.95Å; V918-I922 HydrophobicContact CG1-CD1 4.03Å; V918-I922 HydrophobicContact CG1-CG1 4.44Å; V918-I922 WeakPolarHBondContact O-CG1 3.44Å; V918-I922 PolarHBondContact O-N 3.42Å; I922-I924 VanDerWaalsContact C-N 3.34Å; I922-I924 PolarHBondContact O-N 3.26Å; I922-Y925 WeakPolarHBondContact O-CB 3.35Å; I922-Y925 PolarHBondContact O-N 3.32Å; I922-Y925 VanDerWaalsContact O-N 3.12Å; I922-C926 PolarHBondContact O-N 3.47Å; I922-C926 PolarHBondContact O-SG 2.98Å; I922-E933 HydrophobicContact CG2-CG 4.49Å; I922-V936 HydrophobicContact CG2-CB 4.36Å; I922-V936 HydrophobicContact CG2-CG1 4.07Å; I922-V937 HydrophobicContact CD1-CG2 4.21Å; I922-F948 HydrophobicContact CG1-CE1 4.08Å; I922-F948 HydrophobicContact CG1-CZ 3.96Å
923	R	90.2	Very high	89.4	Confident	50 Å²	50	38.2 Å²	38.2	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-38	177.3	-74.9	173.8	-179.8	-178.1	3.6	113.4	Y910 A919 N920 L921 Y925 C926 A927	Y910-R923 HydrophobicContact CE2-CG 4.1Å; Y910-R923 PolarHBondContact OH-NE 2.99Å; Y910-R923 PolarHBondContact OH-NH2 3.37Å; A919-R923 VanDerWaalsContact O-CG 3.31Å; A919-R923 WeakPolarHBondContact O-CG 3.35Å; A919-R923 PolarHBondContact O-N 3.29Å; A919-R923 VanDerWaalsContact O-N 3.08Å; N920-R923 PolarHBondContact O-N 3.17Å; L921-R923 VanDerWaalsContact C-N 3.31Å; L921-R923 PolarHBondContact O-N 3.36Å; R923-Y925 VanDerWaalsContact C-N 3.32Å; R923-C926 PolarHBondContact O-N 3.22Å; R923-A927 VanDerWaalsContact O-CB 3.3Å; R923-A927 WeakPolarHBondContact O-CB 3.13Å; R923-A927 PolarHBondContact O-N 3.01Å
924	I	91.3	Very high	89.5	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-41.4	175.2	-62.5	168.2	0	0	0	109.9	I691 I863 L866 N920 L921 I922 A927 A928 L952 L956	I691-I924 HydrophobicContact CD1-CD1 4.16Å; I691-I924 HydrophobicContact CD1-CG2 3.95Å; I863-I924 HydrophobicContact CD1-CG1 4.29Å; I863-I924 HydrophobicContact CG1-CG1 4.39Å; I863-I924 HydrophobicContact CG2-CD1 3.85Å; I863-I924 HydrophobicContact CG2-CG1 3.72Å; L866-I924 HydrophobicContact CD2-CD1 3.92Å; N920-I924 VanDerWaalsContact O-CG1 3.32Å; N920-I924 WeakPolarHBondContact O-CG1 3.3Å; N920-I924 PolarHBondContact O-N 2.9Å; L921-I924 HydrophobicContact CD2-CD1 4.4Å; L921-I924 PolarHBondContact O-N 2.83Å; L921-I924 VanDerWaalsContact O-N 3.17Å; I922-I924 VanDerWaalsContact C-N 3.34Å; I922-I924 PolarHBondContact O-N 3.26Å; I924-A927 PolarHBondContact O-N 3.22Å; I924-A928 WeakPolarHBondContact O-CB 3.43Å; I924-A928 PolarHBondContact O-N 3.45Å; I924-L952 HydrophobicContact CB-CD1 4.44Å; I924-L952 HydrophobicContact CG2-CD1 4.04Å; I924-L956 HydrophobicContact CG2-CD1 4.09Å; I924-L956 HydrophobicContact CG2-CD2 3.9Å; I924-L956 HydrophobicContact CG2-CG 4.46Å
925	Y	92.5	Very high	89.6	Confident	11 Å²	11	30 Å²	30	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-48.1	175.6	-166.5	-84.4	0	0	0	111.8	L921 I922 R923 A927 A928 T929 V936 F940 F948 E951 L952 V955	L921-Y925 PolarHBondContact O-N 3.13Å; I922-Y925 WeakPolarHBondContact O-CB 3.35Å; I922-Y925 PolarHBondContact O-N 3.32Å; I922-Y925 VanDerWaalsContact O-N 3.12Å; R923-Y925 VanDerWaalsContact C-N 3.32Å; Y925-A927 VanDerWaalsContact C-N 3.29Å; Y925-A927 PolarHBondContact O-N 2.96Å; Y925-A928 PolarHBondContact O-N 3.3Å; Y925-T929 HydrophobicContact CD1-CG2 4.01Å; Y925-T929 HydrophobicContact CE1-CG2 3.66Å; Y925-T929 HydrophobicContact CE2-CG2 4.46Å; Y925-T929 WeakPolarHBondContact O-CG2 3.48Å; Y925-T929 PolarHBondContact O-N 2.91Å; Y925-T929 PolarHBondContact O-OG1 2.82Å; Y925-V936 HydrophobicContact CD1-CB 4.34Å; Y925-V936 HydrophobicContact CD1-CG1 3.75Å; Y925-V936 HydrophobicContact CD1-CG2 3.57Å; Y925-V936 HydrophobicContact CE1-CG1 4.28Å; Y925-V936 HydrophobicContact CE1-CG2 3.99Å; Y925-V936 HydrophobicContact CG-CG1 4.27Å; Y925-F940 HydrophobicContact CD1-CE2 4.43Å; Y925-F940 HydrophobicContact CD2-CE2 4.33Å; Y925-F940 HydrophobicContact CD2-CZ 4.48Å; Y925-F940 HydrophobicContact CE1-CE2 4.01Å; Y925-F940 AromaticContact CE2-CE2 3.92Å; Y925-F940 HydrophobicContact CE2-CE2 3.92Å; Y925-F940 AromaticContact CE2-CZ 3.84Å; Y925-F940 HydrophobicContact CE2-CZ 3.84Å; Y925-F940 AromaticContact CZ-CE2 3.75Å; Y925-F940 AromaticContact CZ-CZ 3.92Å; Y925-F948 AromaticContact CD2-CE2 3.87Å; Y925-F948 HydrophobicContact CD2-CE2 3.87Å; Y925-F948 HydrophobicContact CG-CE2 4.05Å; Y925-E951 PolarHBondContact OH-OE1 3.44Å; Y925-L952 HydrophobicContact CD2-CB 4.32Å; Y925-L952 HydrophobicContact CD2-CD1 3.93Å; Y925-L952 HydrophobicContact CG-CD1 4.42Å; Y925-V955 HydrophobicContact CE2-CG2 3.88Å
926	C	90.6	Very high	89.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-42.2	174.6	-61.3	0	0	0	0	111.3	W860 I922 R923 A928 G930 Q931 V936	W860-C926 HydrophobicContact CH2-CB 3.72Å; W860-C926 WeakPolarHBondContact CH2-O 3.41Å; W860-C926 WeakPolarHBondContact CZ2-O 3.45Å; W860-C926 HydrophobicContact CZ3-CB 3.59Å; I922-C926 PolarHBondContact O-N 3.47Å; I922-C926 PolarHBondContact O-SG 2.98Å; R923-C926 PolarHBondContact O-N 3.22Å; C926-A928 VanDerWaalsContact C-N 3.35Å; C926-A928 PolarHBondContact O-N 3Å; C926-G930 VanDerWaalsContact O-CA 3.3Å; C926-G930 WeakPolarHBondContact O-CA 3.41Å; C926-G930 PolarHBondContact O-N 2.94Å; C926-Q931 WeakPolarHBondContact CB-O 3.38Å; C926-V936 VanDerWaalsContact SG-CG2 3.57Å
927	A	87.5	Confident	89.7	Confident	11 Å²	11	28.6 Å²	28.6	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-35.2	179.4	0	0	0	0	0	112.9	F695 W860 R923 I924 Y925	F695-A927 HydrophobicContact CB-CB 4.29Å; F695-A927 HydrophobicContact CD1-CB 3.67Å; F695-A927 HydrophobicContact CD2-CB 4.23Å; F695-A927 VanDerWaalsContact CE1-C 3.45Å; F695-A927 HydrophobicContact CE1-CB 3.99Å; F695-A927 WeakPolarHBondContact CE1-O 3.37Å; F695-A927 HydrophobicContact CE2-CB 4.49Å; F695-A927 HydrophobicContact CG-CB 3.81Å; F695-A927 HydrophobicContact CZ-CB 4.38Å; W860-A927 HydrophobicContact CD2-CB 3.96Å; W860-A927 HydrophobicContact CE3-CB 4.31Å; W860-A927 HydrophobicContact CG-CB 4.18Å; R923-A927 VanDerWaalsContact O-CB 3.3Å; R923-A927 WeakPolarHBondContact O-CB 3.13Å; R923-A927 PolarHBondContact O-N 3.01Å; I924-A927 PolarHBondContact O-N 3.22Å; Y925-A927 VanDerWaalsContact C-N 3.29Å; Y925-A927 PolarHBondContact O-N 2.96Å
928	A	89	Confident	89.7	Confident	21 Å²	21	33.6 Å²	33.6	17%	0.174	20%	0.197	C	C	.	.	H	α-helix	trans	-76.9	-35.7	178.4	0	0	0	0	0	113.2	F695 I924 Y925 C926 V955 L956	F695-A928 HydrophobicContact CE1-CB 4.45Å; F695-A928 HydrophobicContact CZ-CB 3.94Å; I924-A928 WeakPolarHBondContact O-CB 3.43Å; I924-A928 PolarHBondContact O-N 3.45Å; Y925-A928 PolarHBondContact O-N 3.3Å; C926-A928 VanDerWaalsContact C-N 3.35Å; C926-A928 PolarHBondContact O-N 3Å; A928-V955 HydrophobicContact CB-CG1 3.8Å; A928-L956 HydrophobicContact CB-CD2 4.31Å
929	T	88.7	Confident	89.6	Confident	52 Å²	52	39.4 Å²	39.4	32%	0.319	22%	0.22	S	C	.	.	H	α-helix	trans	-100.8	-22.4	-173.6	59.7	0	0	0	0	114.4	Y925 Q931 V955	Y925-T929 HydrophobicContact CD1-CG2 4.01Å; Y925-T929 HydrophobicContact CE1-CG2 3.66Å; Y925-T929 HydrophobicContact CE2-CG2 4.46Å; Y925-T929 WeakPolarHBondContact O-CG2 3.48Å; Y925-T929 PolarHBondContact O-N 2.91Å; Y925-T929 PolarHBondContact O-OG1 2.82Å; T929-Q931 VanDerWaalsContact C-N 3.33Å; T929-Q931 PolarHBondContact OG1-N 3.49Å; T929-V955 HydrophobicContact CG2-CG1 3.89Å
930	G	84.7	Confident	89.5	Confident	55 Å²	55	39.3 Å²	39.3	57%	0.567	22%	0.219	S	C	*	.			trans	80.7	4.9	-173.6	0	0	0	0	0	115.1	C926	C926-G930 VanDerWaalsContact O-CA 3.3Å; C926-G930 WeakPolarHBondContact O-CA 3.41Å; C926-G930 PolarHBondContact O-N 2.94Å
931	Q	87.2	Confident	89.3	Confident	65 Å²	65	44.4 Å²	44.4	30%	0.304	25%	0.25	S	S	.	.			trans	-76.2	156.3	177.9	-64.8	179.7	-3.6	0	0	112.2	C926 T929 Q935 V936	C926-Q931 WeakPolarHBondContact CB-O 3.38Å; T929-Q931 VanDerWaalsContact C-N 3.33Å; T929-Q931 PolarHBondContact OG1-N 3.49Å; Q931-Q935 HydrophobicContact CB-CB 4.3Å; Q931-V936 HydrophobicContact CB-CG2 3.86Å
932	S	87	Confident	88.8	Confident	42 Å²	42	48.3 Å²	48.3	29%	0.294	29%	0.29	S	S	.	.			trans	-76.3	158.1	172.8	68.5	0	0	0	0	111.8	S934 Q935 V936	S932-S934 PolarHBondContact O-N 2.85Å; S932-S934 PolarHBondContact OG-OG 3.19Å; S932-Q935 PolarHBondContact O-N 3.34Å; S932-Q935 VanDerWaalsContact O-N 3.14Å; S932-Q935 VanDerWaalsContact OG-CG 3.27Å; S932-Q935 WeakPolarHBondContact OG-CG 3.37Å; S932-Q935 PolarHBondContact OG-N 2.98Å; S932-Q935 PolarHBondContact OG-OE1 2.9Å; S932-V936 WeakPolarHBondContact O-CG2 3.3Å; S932-V936 PolarHBondContact O-N 3.28Å; S932-V936 VanDerWaalsContact O-N 3.07Å
933	E	87.9	Confident	88.6	Confident	66 Å²	66	51.3 Å²	51.3	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-57.7	-36.2	177.4	-62.2	94.7	150.6	0	0	112.5	Y910 I922 V936 V937	Y910-E933 HydrophobicContact CD1-CB 4.16Å; Y910-E933 HydrophobicContact CD1-CG 4.38Å; Y910-E933 HydrophobicContact CD2-CB 4.48Å; Y910-E933 HydrophobicContact CD2-CG 4.33Å; Y910-E933 HydrophobicContact CE1-CB 4.26Å; Y910-E933 HydrophobicContact CE1-CG 4.04Å; Y910-E933 HydrophobicContact CE2-CG 4.02Å; Y910-E933 HydrophobicContact CG-CB 4.24Å; Y910-E933 HydrophobicContact CG-CG 4.49Å; I922-E933 HydrophobicContact CG2-CG 4.49Å; E933-V936 PolarHBondContact O-N 3.13Å; E933-V937 VanDerWaalsContact O-CG2 3.3Å; E933-V937 WeakPolarHBondContact O-CG2 3.45Å; E933-V937 PolarHBondContact O-N 3.45Å
934	S	87.8	Confident	88.6	Confident	71 Å²	71	51.6 Å²	51.6	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-47	175.5	57.6	0	0	0	0	112.4	S932 V936 V937 D938	S932-S934 PolarHBondContact O-N 2.85Å; S932-S934 PolarHBondContact OG-OG 3.19Å; S934-V936 VanDerWaalsContact C-N 3.28Å; S934-V936 PolarHBondContact O-N 3.31Å; S934-V937 PolarHBondContact O-N 2.92Å; S934-D938 WeakPolarHBondContact O-CB 3.24Å; S934-D938 PolarHBondContact O-N 3.44Å
935	Q	88.8	Confident	88.5	Confident	107 Å²	107	52.4 Å²	52.4	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-61.3	-38.9	178.8	-74.4	172.3	-24.7	0	0	111.8	Q931 S932 Y939	Q931-Q935 HydrophobicContact CB-CB 4.3Å; S932-Q935 PolarHBondContact O-N 3.34Å; S932-Q935 VanDerWaalsContact O-N 3.14Å; S932-Q935 VanDerWaalsContact OG-CG 3.27Å; S932-Q935 WeakPolarHBondContact OG-CG 3.37Å; S932-Q935 PolarHBondContact OG-N 2.98Å; S932-Q935 PolarHBondContact OG-OE1 2.9Å; Q935-Y939 VanDerWaalsContact O-CB 3.23Å; Q935-Y939 WeakPolarHBondContact O-CB 3.3Å; Q935-Y939 PolarHBondContact O-N 3.48Å
936	V	89.5	Confident	88.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.6	-46.5	177	177	0	0	0	0	110.5	I922 Y925 C926 Q931 S932 E933 S934 D938 Y939 F940 F948	I922-V936 HydrophobicContact CG2-CB 4.36Å; I922-V936 HydrophobicContact CG2-CG1 4.07Å; Y925-V936 HydrophobicContact CD1-CB 4.34Å; Y925-V936 HydrophobicContact CD1-CG1 3.75Å; Y925-V936 HydrophobicContact CD1-CG2 3.57Å; Y925-V936 HydrophobicContact CE1-CG1 4.28Å; Y925-V936 HydrophobicContact CE1-CG2 3.99Å; Y925-V936 HydrophobicContact CG-CG1 4.27Å; C926-V936 VanDerWaalsContact SG-CG2 3.57Å; Q931-V936 HydrophobicContact CB-CG2 3.86Å; S932-V936 WeakPolarHBondContact O-CG2 3.3Å; S932-V936 PolarHBondContact O-N 3.28Å; S932-V936 VanDerWaalsContact O-N 3.07Å; E933-V936 PolarHBondContact O-N 3.13Å; S934-V936 VanDerWaalsContact C-N 3.28Å; S934-V936 PolarHBondContact O-N 3.31Å; V936-D938 VanDerWaalsContact C-N 3.33Å; V936-D938 PolarHBondContact O-N 3.47Å; V936-Y939 PolarHBondContact O-N 3.38Å; V936-F940 HydrophobicContact CG1-CD2 3.81Å; V936-F940 HydrophobicContact CG1-CE2 4.01Å; V936-F940 VanDerWaalsContact O-CD2 3.23Å; V936-F940 WeakPolarHBondContact O-CD2 3.42Å; V936-F940 PolarHBondContact O-N 3.13Å; V936-F940 VanDerWaalsContact O-N 3.09Å; V936-F948 HydrophobicContact CG1-CE2 4.44Å
937	V	91.3	Very high	88.3	Confident	32 Å²	32	59.1 Å²	59.1	19%	0.194	36%	0.358	C	S	.	.	H	α-helix	trans	-59.7	-45.6	177.1	171.4	0	0	0	0	110.9	I922 E933 S934 Y939 F940 V941	I922-V937 HydrophobicContact CD1-CG2 4.21Å; E933-V937 VanDerWaalsContact O-CG2 3.3Å; E933-V937 WeakPolarHBondContact O-CG2 3.45Å; E933-V937 PolarHBondContact O-N 3.45Å; S934-V937 PolarHBondContact O-N 2.92Å; V937-Y939 VanDerWaalsContact C-N 3.34Å; V937-Y939 PolarHBondContact O-N 3.35Å; V937-F940 CarbonylContact O-C 3.42Å; V937-F940 PolarHBondContact O-N 3.44Å; V937-V941 WeakPolarHBondContact O-CG2 3.44Å; V937-V941 PolarHBondContact O-N 2.99Å
938	D	89.7	Confident	88.6	Confident	111 Å²	111	58.7 Å²	58.7	59%	0.594	35%	0.354	S	S	*	.	H	α-helix	trans	-61.7	-40.8	178	-67.7	-21.5	0	0	0	112	S934 V936 F940 V941	S934-D938 WeakPolarHBondContact O-CB 3.24Å; S934-D938 PolarHBondContact O-N 3.44Å; V936-D938 VanDerWaalsContact C-N 3.33Å; V936-D938 PolarHBondContact O-N 3.47Å; D938-F940 VanDerWaalsContact C-N 3.31Å; D938-F940 PolarHBondContact O-N 2.69Å; D938-V941 WeakPolarHBondContact O-CG2 3.21Å; D938-V941 PolarHBondContact O-N 3.23Å
939	Y	89.3	Confident	88.8	Confident	124 Å²	124	58.8 Å²	58.8	49%	0.486	35%	0.35	S	S	.	.	H	α-helix	trans	-67.4	-29.6	178.9	-176.1	-95.5	0	0	0	113.3	Q935 V936 V937 E951	Q935-Y939 VanDerWaalsContact O-CB 3.23Å; Q935-Y939 WeakPolarHBondContact O-CB 3.3Å; Q935-Y939 PolarHBondContact O-N 3.48Å; V936-Y939 PolarHBondContact O-N 3.38Å; V937-Y939 VanDerWaalsContact C-N 3.34Å; V937-Y939 PolarHBondContact O-N 3.35Å; Y939-E951 VanDerWaalsContact CE1-OE1 3.24Å; Y939-E951 WeakPolarHBondContact CE1-OE1 3.11Å
940	F	90	Very high	89	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	11.5	178.9	-72.9	-76.2	0	0	0	113.8	V908 Y925 V936 V937 D938 G942 K943 F948 E951	V908-F940 HydrophobicContact CB-CB 3.92Å; V908-F940 HydrophobicContact CG1-CB 4.05Å; V908-F940 HydrophobicContact CG2-CB 4.09Å; Y925-F940 HydrophobicContact CD1-CE2 4.43Å; Y925-F940 HydrophobicContact CD2-CE2 4.33Å; Y925-F940 HydrophobicContact CD2-CZ 4.48Å; Y925-F940 HydrophobicContact CE1-CE2 4.01Å; Y925-F940 AromaticContact CE2-CE2 3.92Å; Y925-F940 HydrophobicContact CE2-CE2 3.92Å; Y925-F940 AromaticContact CE2-CZ 3.84Å; Y925-F940 HydrophobicContact CE2-CZ 3.84Å; Y925-F940 AromaticContact CZ-CE2 3.75Å; Y925-F940 AromaticContact CZ-CZ 3.92Å; V936-F940 HydrophobicContact CG1-CD2 3.81Å; V936-F940 HydrophobicContact CG1-CE2 4.01Å; V936-F940 VanDerWaalsContact O-CD2 3.23Å; V936-F940 WeakPolarHBondContact O-CD2 3.42Å; V936-F940 PolarHBondContact O-N 3.13Å; V936-F940 VanDerWaalsContact O-N 3.09Å; V937-F940 CarbonylContact O-C 3.42Å; V937-F940 PolarHBondContact O-N 3.44Å; D938-F940 VanDerWaalsContact C-N 3.31Å; D938-F940 PolarHBondContact O-N 2.69Å; F940-G942 PolarHBondContact O-N 3.39Å; F940-K943 HydrophobicContact CD1-CB 4.13Å; F940-K943 HydrophobicContact CD1-CD 3.52Å; F940-K943 HydrophobicContact CD1-CG 4.46Å; F940-K943 HydrophobicContact CE1-CD 3.91Å; F940-K943 PolarHBondContact O-N 3.03Å; F940-K943 VanDerWaalsContact O-N 3.11Å; F940-F948 HydrophobicContact CD1-CB 4.18Å; F940-F948 AromaticContact CD1-CD2 3.83Å; F940-F948 HydrophobicContact CD1-CD2 3.83Å; F940-F948 HydrophobicContact CD1-CG 4.42Å; F940-F948 AromaticContact CD2-CD2 3.74Å; F940-F948 HydrophobicContact CD2-CD2 3.74Å; F940-F948 AromaticContact CD2-CE2 3.93Å; F940-F948 HydrophobicContact CD2-CE2 3.93Å; F940-F948 HydrophobicContact CE1-CB 4.32Å; F940-F948 AromaticContact CE1-CD2 3.64Å; F940-F948 HydrophobicContact CE1-CD2 3.64Å; F940-F948 HydrophobicContact CE1-CG 4.47Å; F940-F948 AromaticContact CE2-CD2 3.55Å; F940-F948 HydrophobicContact CE2-CD2 3.55Å; F940-F948 AromaticContact CE2-CE2 3.63Å; F940-F948 HydrophobicContact CE2-CE2 3.63Å; F940-F948 AromaticContact CG-CD2 3.92Å; F940-F948 HydrophobicContact CG-CD2 3.92Å; F940-F948 AromaticContact CZ-CD2 3.53Å; F940-F948 HydrophobicContact CZ-CD2 3.53Å; F940-F948 AromaticContact CZ-CE2 3.98Å; F940-F948 HydrophobicContact CZ-CE2 3.98Å; F940-E951 HydrophobicContact CE1-CB 4.28Å; F940-E951 HydrophobicContact CE1-CG 4.44Å; F940-E951 WeakPolarHBondContact CE1-OE2 3.5Å; F940-E951 HydrophobicContact CZ-CB 4.33Å; F940-E951 HydrophobicContact CZ-CG 4.2Å
941	V	86.9	Confident	89.4	Confident	111 Å²	111	59.3 Å²	59.3	67%	0.673	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	126.3	171.4	174.3	0	0	0	0	109.8	V937 D938 K943	V937-V941 WeakPolarHBondContact O-CG2 3.44Å; V937-V941 PolarHBondContact O-N 2.99Å; D938-V941 WeakPolarHBondContact O-CG2 3.21Å; D938-V941 PolarHBondContact O-N 3.23Å; V941-K943 VanDerWaalsContact C-N 3.28Å; V941-K943 PolarHBondContact O-N 2.91Å
942	G	83.2	Confident	89.7	Confident	83 Å²	83	56.2 Å²	56.2	86%	0.856	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-10.6	-179.2	0	0	0	0	0	115.3	F940	F940-G942 PolarHBondContact O-N 3.39Å
943	K	87.8	Confident	90.1	Very high	64 Å²	64	54.3 Å²	54.3	28%	0.278	31%	0.309	S	S	.	.			trans	-87.9	151.7	172.8	-72.3	179.6	172.7	177.3	0	111.3	F940 V941 E947 E951	F940-K943 HydrophobicContact CD1-CB 4.13Å; F940-K943 HydrophobicContact CD1-CD 3.52Å; F940-K943 HydrophobicContact CD1-CG 4.46Å; F940-K943 HydrophobicContact CE1-CD 3.91Å; F940-K943 PolarHBondContact O-N 3.03Å; F940-K943 VanDerWaalsContact O-N 3.11Å; V941-K943 VanDerWaalsContact C-N 3.28Å; V941-K943 PolarHBondContact O-N 2.91Å; K943-E947 WeakPolarHBondContact CA-OE2 3.44Å; K943-E951 IonicContact NZ-OE2 3.78Å; K943-E951 PolarHBondContact NZ-OE2 3.17Å
944	T	89.6	Confident	90.4	Very high	55 Å²	55	56.2 Å²	56.2	34%	0.337	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-84.1	156.8	177.1	64.8	0	0	0	0	112.1	S906 A946 E947 F948	S906-T944 CarbonylContact O-C 3.55Å; S906-T944 VanDerWaalsContact O-CA 3.31Å; S906-T944 WeakPolarHBondContact O-CA 3.35Å; T944-A946 PolarHBondContact O-N 3.02Å; T944-A946 VanDerWaalsContact O-N 3.14Å; T944-E947 PolarHBondContact N-OE2 3.34Å; T944-E947 PolarHBondContact O-N 2.95Å; T944-E947 VanDerWaalsContact O-N 3.15Å; T944-E947 WeakPolarHBondContact OG1-CG 3.34Å; T944-E947 PolarHBondContact OG1-N 2.99Å; T944-E947 PolarHBondContact OG1-OE2 3.46Å; T944-F948 PolarHBondContact O-N 2.77Å
945	T	88.8	Confident	90.6	Very high	19 Å²	19	54.2 Å²	54.2	12%	0.117	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-25.8	172.2	50.5	0	0	0	0	113.2	V905 S906 V908 V918 K949	V905-T945 WeakPolarHBondContact O-CG2 3.37Å; S906-T945 PolarHBondContact O-N 3.01Å; V908-T945 HydrophobicContact CG2-CG2 4.36Å; V918-T945 HydrophobicContact CG2-CG2 4.34Å; T945-K949 WeakPolarHBondContact O-CG 3.4Å; T945-K949 PolarHBondContact O-N 2.63Å; T945-K949 VanDerWaalsContact O-N 3.09Å
946	A	89.8	Confident	90.9	Very high	59 Å²	59	49.2 Å²	49.2	49%	0.488	28%	0.282	S	S	.	.	H	α-helix	trans	-71.9	-45.9	175.2	0	0	0	0	0	112.1	T944 F948 K949 L950	T944-A946 PolarHBondContact O-N 3.02Å; T944-A946 VanDerWaalsContact O-N 3.14Å; A946-F948 VanDerWaalsContact C-N 3.31Å; A946-F948 PolarHBondContact O-N 3.17Å; A946-K949 PolarHBondContact O-N 2.91Å; A946-L950 WeakPolarHBondContact O-CG 3.34Å; A946-L950 PolarHBondContact O-N 3.06Å; A946-L950 VanDerWaalsContact O-N 3.11Å
947	E	90.2	Very high	91	Very high	92 Å²	92	49.8 Å²	49.8	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-41.7	173.7	-69.5	165.2	155.8	0	0	110.9	K943 T944 K949 L950 E951	K943-E947 WeakPolarHBondContact CA-OE2 3.44Å; T944-E947 PolarHBondContact N-OE2 3.34Å; T944-E947 PolarHBondContact O-N 2.95Å; T944-E947 VanDerWaalsContact O-N 3.15Å; T944-E947 WeakPolarHBondContact OG1-CG 3.34Å; T944-E947 PolarHBondContact OG1-N 2.99Å; T944-E947 PolarHBondContact OG1-OE2 3.46Å; E947-K949 VanDerWaalsContact C-N 3.33Å; E947-K949 PolarHBondContact O-N 3.47Å; E947-L950 WeakPolarHBondContact O-CB 3.36Å; E947-L950 PolarHBondContact O-N 3.22Å; E947-L950 VanDerWaalsContact O-N 3.16Å; E947-E951 PolarHBondContact O-N 3.2Å
948	F	93	Very high	91.1	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-59	-41.4	174.4	176.3	-124.1	0	0	0	112.8	V908 L921 I922 Y925 V936 F940 T944 A946 E951 L952	V908-F948 HydrophobicContact CG1-CD1 4.24Å; V908-F948 HydrophobicContact CG1-CE1 4.4Å; V908-F948 HydrophobicContact CG1-CG 4.35Å; V908-F948 HydrophobicContact CG2-CB 3.8Å; V908-F948 HydrophobicContact CG2-CD1 4.27Å; V908-F948 HydrophobicContact CG2-CG 4.06Å; L921-F948 HydrophobicContact CB-CD1 4.46Å; L921-F948 HydrophobicContact CB-CE1 3.53Å; L921-F948 HydrophobicContact CB-CZ 4.17Å; L921-F948 HydrophobicContact CD1-CE1 4.48Å; I922-F948 HydrophobicContact CG1-CE1 4.08Å; I922-F948 HydrophobicContact CG1-CZ 3.96Å; Y925-F948 AromaticContact CD2-CE2 3.87Å; Y925-F948 HydrophobicContact CD2-CE2 3.87Å; Y925-F948 HydrophobicContact CG-CE2 4.05Å; V936-F948 HydrophobicContact CG1-CE2 4.44Å; F940-F948 HydrophobicContact CD1-CB 4.18Å; F940-F948 AromaticContact CD1-CD2 3.83Å; F940-F948 HydrophobicContact CD1-CD2 3.83Å; F940-F948 HydrophobicContact CD1-CG 4.42Å; F940-F948 AromaticContact CD2-CD2 3.74Å; F940-F948 HydrophobicContact CD2-CD2 3.74Å; F940-F948 AromaticContact CD2-CE2 3.93Å; F940-F948 HydrophobicContact CD2-CE2 3.93Å; F940-F948 HydrophobicContact CE1-CB 4.32Å; F940-F948 AromaticContact CE1-CD2 3.64Å; F940-F948 HydrophobicContact CE1-CD2 3.64Å; F940-F948 HydrophobicContact CE1-CG 4.47Å; F940-F948 AromaticContact CE2-CD2 3.55Å; F940-F948 HydrophobicContact CE2-CD2 3.55Å; F940-F948 AromaticContact CE2-CE2 3.63Å; F940-F948 HydrophobicContact CE2-CE2 3.63Å; F940-F948 AromaticContact CG-CD2 3.92Å; F940-F948 HydrophobicContact CG-CD2 3.92Å; F940-F948 AromaticContact CZ-CD2 3.53Å; F940-F948 HydrophobicContact CZ-CD2 3.53Å; F940-F948 AromaticContact CZ-CE2 3.98Å; F940-F948 HydrophobicContact CZ-CE2 3.98Å; T944-F948 PolarHBondContact O-N 2.77Å; A946-F948 VanDerWaalsContact C-N 3.31Å; A946-F948 PolarHBondContact O-N 3.17Å; F948-E951 PolarHBondContact O-N 3.2Å; F948-L952 VanDerWaalsContact O-CB 3.24Å; F948-L952 WeakPolarHBondContact O-CB 3.21Å; F948-L952 PolarHBondContact O-N 3.43Å
949	K	93.6	Very high	91.1	Very high	23 Å²	23	52 Å²	52	10%	0.1	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-37.8	175.3	-77.7	176.3	-170.1	-178.7	0	112.7	V897 A900 T902 L921 T945 A946 E947 A953	V897-K949 HydrophobicContact CG1-CB 4.1Å; V897-K949 HydrophobicContact CG1-CG 4.34Å; V897-K949 WeakPolarHBondContact CG1-O 3.16Å; A900-K949 PolarHBondContact O-NZ 2.53Å; T902-K949 PolarHBondContact OG1-NZ 2.74Å; L921-K949 HydrophobicContact CD1-CG 4.02Å; T945-K949 WeakPolarHBondContact O-CG 3.4Å; T945-K949 PolarHBondContact O-N 2.63Å; T945-K949 VanDerWaalsContact O-N 3.09Å; A946-K949 PolarHBondContact O-N 2.91Å; E947-K949 VanDerWaalsContact C-N 3.33Å; E947-K949 PolarHBondContact O-N 3.47Å; K949-A953 WeakPolarHBondContact O-CB 3.48Å; K949-A953 PolarHBondContact O-N 3.3Å; K949-A953 VanDerWaalsContact O-N 3.09Å
950	L	93.3	Very high	91.3	Very high	73 Å²	73	46 Å²	46	38%	0.382	27%	0.271	S	S	.	.	H	α-helix	trans	-64.2	-50.9	176.2	-69.3	173.3	0	0	0	110.4	L894 K898 A946 E947 L952 A953 D954	L894-L950 HydrophobicContact CD1-CD2 3.91Å; K898-L950 HydrophobicContact CD-CD2 4.49Å; A946-L950 WeakPolarHBondContact O-CG 3.34Å; A946-L950 PolarHBondContact O-N 3.06Å; A946-L950 VanDerWaalsContact O-N 3.11Å; E947-L950 WeakPolarHBondContact O-CB 3.36Å; E947-L950 PolarHBondContact O-N 3.22Å; E947-L950 VanDerWaalsContact O-N 3.16Å; L950-L952 PolarHBondContact O-N 3.05Å; L950-A953 WeakPolarHBondContact O-CB 3.25Å; L950-A953 PolarHBondContact O-N 3.28Å; L950-A953 VanDerWaalsContact O-N 3.11Å; L950-D954 PolarHBondContact O-N 3.28Å
951	E	93.1	Very high	91.3	Very high	45 Å²	45	52.2 Å²	52.2	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-41.5	-179	-165.4	171.5	154.7	0	0	111.9	Y925 Y939 F940 K943 E947 F948 A953 D954 V955	Y925-E951 PolarHBondContact OH-OE1 3.44Å; Y939-E951 VanDerWaalsContact CE1-OE1 3.24Å; Y939-E951 WeakPolarHBondContact CE1-OE1 3.11Å; F940-E951 HydrophobicContact CE1-CB 4.28Å; F940-E951 HydrophobicContact CE1-CG 4.44Å; F940-E951 WeakPolarHBondContact CE1-OE2 3.5Å; F940-E951 HydrophobicContact CZ-CB 4.33Å; F940-E951 HydrophobicContact CZ-CG 4.2Å; K943-E951 IonicContact NZ-OE2 3.78Å; K943-E951 PolarHBondContact NZ-OE2 3.17Å; E947-E951 PolarHBondContact O-N 3.2Å; F948-E951 PolarHBondContact O-N 3.2Å; E951-A953 VanDerWaalsContact C-N 3.31Å; E951-A953 PolarHBondContact O-N 2.89Å; E951-D954 PolarHBondContact O-N 3.42Å; E951-V955 WeakPolarHBondContact O-CG2 3.48Å; E951-V955 PolarHBondContact O-N 2.86Å
952	L	94.2	Very high	91.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-39.9	173.7	175.7	61.1	0	0	0	112.3	V897 L921 I924 Y925 F948 L950 L956	V897-L952 HydrophobicContact CG1-CB 4.35Å; V897-L952 HydrophobicContact CG1-CD2 4.05Å; V897-L952 HydrophobicContact CG1-CG 4.22Å; L921-L952 HydrophobicContact CB-CD2 3.99Å; L921-L952 HydrophobicContact CD2-CD2 3.79Å; L921-L952 HydrophobicContact CG-CD2 4.39Å; I924-L952 HydrophobicContact CB-CD1 4.44Å; I924-L952 HydrophobicContact CG2-CD1 4.04Å; Y925-L952 HydrophobicContact CD2-CB 4.32Å; Y925-L952 HydrophobicContact CD2-CD1 3.93Å; Y925-L952 HydrophobicContact CG-CD1 4.42Å; F948-L952 VanDerWaalsContact O-CB 3.24Å; F948-L952 WeakPolarHBondContact O-CB 3.21Å; F948-L952 PolarHBondContact O-N 3.43Å; L950-L952 PolarHBondContact O-N 3.05Å; L952-L956 HydrophobicContact CD1-CD1 4.04Å; L952-L956 HydrophobicContact CD1-CG 4.08Å; L952-L956 HydrophobicContact CG-CD1 4.06Å; L952-L956 WeakPolarHBondContact O-CB 3.17Å; L952-L956 VanDerWaalsContact O-CG 3.25Å; L952-L956 WeakPolarHBondContact O-CG 3Å; L952-L956 PolarHBondContact O-N 3.39Å
953	A	94.4	Very high	91.9	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-42.2	177.4	0	0	0	0	0	111.8	L894 V897 K949 L950 E951 L956 A957	L894-A953 HydrophobicContact CB-CB 4.32Å; L894-A953 HydrophobicContact CD1-CB 3.57Å; V897-A953 HydrophobicContact CB-CB 4.08Å; V897-A953 HydrophobicContact CG1-CB 4.29Å; V897-A953 HydrophobicContact CG2-CB 4.31Å; K949-A953 WeakPolarHBondContact O-CB 3.48Å; K949-A953 PolarHBondContact O-N 3.3Å; K949-A953 VanDerWaalsContact O-N 3.09Å; L950-A953 WeakPolarHBondContact O-CB 3.25Å; L950-A953 PolarHBondContact O-N 3.28Å; L950-A953 VanDerWaalsContact O-N 3.11Å; E951-A953 VanDerWaalsContact C-N 3.31Å; E951-A953 PolarHBondContact O-N 2.89Å; A953-L956 PolarHBondContact O-N 3.23Å; A953-A957 VanDerWaalsContact O-CB 3.27Å; A953-A957 WeakPolarHBondContact O-CB 3.29Å; A953-A957 PolarHBondContact O-N 2.96Å
954	D	93.8	Very high	92.1	Very high	106 Å²	106	45.4 Å²	45.4	57%	0.567	24%	0.241	S	C	*	.	H	α-helix	trans	-65.5	-44.4	177.3	-71.2	-25.8	0	0	0	111.4	L950 E951 L956 A957 H958	L950-D954 PolarHBondContact O-N 3.28Å; E951-D954 PolarHBondContact O-N 3.42Å; D954-L956 PolarHBondContact O-N 2.89Å; D954-A957 PolarHBondContact O-N 3.47Å; D954-H958 WeakPolarHBondContact O-CB 3.4Å; D954-H958 PolarHBondContact O-N 2.87Å
955	V	93.5	Very high	92.2	Very high	29 Å²	29	47.6 Å²	47.6	18%	0.176	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-50.5	174.7	169.9	0	0	0	0	110.3	Y925 A928 T929 E951 A957 H958 T959	Y925-V955 HydrophobicContact CE2-CG2 3.88Å; A928-V955 HydrophobicContact CB-CG1 3.8Å; T929-V955 HydrophobicContact CG2-CG1 3.89Å; E951-V955 WeakPolarHBondContact O-CG2 3.48Å; E951-V955 PolarHBondContact O-N 2.86Å; V955-A957 PolarHBondContact O-N 3.43Å; V955-H958 PolarHBondContact O-N 2.88Å; V955-T959 WeakPolarHBondContact O-CB 3.5Å; V955-T959 PolarHBondContact O-N 2.93Å; V955-T959 PolarHBondContact O-OG1 2.93Å
956	L	93.2	Very high	92.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-43.2	178.4	-71	171.3	0	0	0	112	F695 I893 V897 I924 A928 L952 A953 D954 H958 T959 F960	F695-L956 HydrophobicContact CE2-CD2 4.29Å; F695-L956 HydrophobicContact CZ-CD2 4.43Å; I893-L956 HydrophobicContact CG2-CB 3.93Å; I893-L956 HydrophobicContact CG2-CD1 4.45Å; V897-L956 HydrophobicContact CG2-CD1 4.02Å; I924-L956 HydrophobicContact CG2-CD1 4.09Å; I924-L956 HydrophobicContact CG2-CD2 3.9Å; I924-L956 HydrophobicContact CG2-CG 4.46Å; A928-L956 HydrophobicContact CB-CD2 4.31Å; L952-L956 HydrophobicContact CD1-CD1 4.04Å; L952-L956 HydrophobicContact CD1-CG 4.08Å; L952-L956 HydrophobicContact CG-CD1 4.06Å; L952-L956 WeakPolarHBondContact O-CB 3.17Å; L952-L956 VanDerWaalsContact O-CG 3.25Å; L952-L956 WeakPolarHBondContact O-CG 3Å; L952-L956 PolarHBondContact O-N 3.39Å; A953-L956 PolarHBondContact O-N 3.23Å; D954-L956 PolarHBondContact O-N 2.89Å; L956-H958 VanDerWaalsContact C-N 3.28Å; L956-H958 PolarHBondContact O-N 3.34Å; L956-T959 PolarHBondContact O-N 3.47Å; L956-F960 HydrophobicContact CD2-CD2 4.41Å; L956-F960 HydrophobicContact CD2-CE2 3.85Å; L956-F960 WeakPolarHBondContact O-CB 3.37Å; L956-F960 VanDerWaalsContact O-CD2 3.24Å; L956-F960 WeakPolarHBondContact O-CD2 3.21Å; L956-F960 PolarHBondContact O-N 3.4Å
957	A	93.3	Very high	92.4	Very high	13 Å²	13	46.2 Å²	46.2	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-37.5	177.6	0	0	0	0	0	112.1	P890 I893 A953 D954 V955 R961	P890-A957 HydrophobicContact CB-CB 3.91Å; I893-A957 HydrophobicContact CD1-CB 4.37Å; A953-A957 VanDerWaalsContact O-CB 3.27Å; A953-A957 WeakPolarHBondContact O-CB 3.29Å; A953-A957 PolarHBondContact O-N 2.96Å; D954-A957 PolarHBondContact O-N 3.47Å; V955-A957 PolarHBondContact O-N 3.43Å; A957-R961 WeakPolarHBondContact O-CB 3.36Å; A957-R961 PolarHBondContact O-N 3.42Å; A957-R961 VanDerWaalsContact O-N 3.16Å
958	H	92.7	Very high	92.4	Very high	144 Å²	144	48.4 Å²	48.4	67%	0.667	24%	0.237	S	C	*	.	H	α-helix	trans	-72.8	-46.4	177.2	-145.8	88.9	0	0	0	111.7	D954 V955 L956 F960 R961	D954-H958 WeakPolarHBondContact O-CB 3.4Å; D954-H958 PolarHBondContact O-N 2.87Å; V955-H958 PolarHBondContact O-N 2.88Å; L956-H958 VanDerWaalsContact C-N 3.28Å; L956-H958 PolarHBondContact O-N 3.34Å; H958-F960 VanDerWaalsContact C-N 3.32Å; H958-F960 PolarHBondContact O-N 3.49Å; H958-R961 WeakPolarHBondContact O-CB 3.48Å; H958-R961 PolarHBondContact O-N 3.28Å
959	T	90.3	Very high	92.3	Very high	44 Å²	44	55.9 Å²	55.9	27%	0.27	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-42	178.2	-56.9	0	0	0	0	112	V955 L956	V955-T959 WeakPolarHBondContact O-CB 3.5Å; V955-T959 PolarHBondContact O-N 2.93Å; V955-T959 PolarHBondContact O-OG1 2.93Å; L956-T959 PolarHBondContact O-N 3.47Å
960	F	91.9	Very high	92.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-92.7	-4.5	-176.1	-69.4	-62.9	0	0	0	114.7	I691 Y694 F695 V886 L956 H958 V963 R964	I691-F960 HydrophobicContact CB-CE2 4.44Å; I691-F960 HydrophobicContact CB-CZ 4.43Å; I691-F960 HydrophobicContact CG2-CD2 4.28Å; I691-F960 HydrophobicContact CG2-CE2 3.46Å; I691-F960 VanDerWaalsContact CG2-CE2 3.46Å; I691-F960 HydrophobicContact CG2-CZ 3.77Å; Y694-F960 AromaticContact CD1-CE1 3.53Å; Y694-F960 HydrophobicContact CD1-CE1 3.53Å; Y694-F960 AromaticContact CD1-CZ 3.58Å; Y694-F960 HydrophobicContact CD1-CZ 3.58Å; Y694-F960 AromaticContact CD2-CE1 3.95Å; Y694-F960 HydrophobicContact CD2-CE1 3.95Å; Y694-F960 AromaticContact CE1-CE1 3.71Å; Y694-F960 HydrophobicContact CE1-CE1 3.71Å; Y694-F960 AromaticContact CE1-CZ 3.96Å; Y694-F960 HydrophobicContact CE1-CZ 3.96Å; Y694-F960 HydrophobicContact CE2-CE1 4.11Å; Y694-F960 AromaticContact CG-CE1 3.65Å; Y694-F960 HydrophobicContact CG-CE1 3.65Å; Y694-F960 HydrophobicContact CG-CZ 4Å; Y694-F960 AromaticContact CZ-CE1 3.99Å; F695-F960 HydrophobicContact CE2-CE2 4.24Å; F695-F960 AromaticContact CE2-CZ 3.98Å; F695-F960 HydrophobicContact CE2-CZ 3.98Å; F695-F960 HydrophobicContact CZ-CE2 4.24Å; F695-F960 AromaticContact CZ-CZ 3.94Å; F695-F960 HydrophobicContact CZ-CZ 3.94Å; V886-F960 HydrophobicContact CB-CD1 3.79Å; V886-F960 HydrophobicContact CB-CE1 4.04Å; V886-F960 HydrophobicContact CB-CG 4.41Å; V886-F960 HydrophobicContact CG1-CD1 3.9Å; V886-F960 HydrophobicContact CG1-CE1 3.59Å; V886-F960 HydrophobicContact CG1-CZ 4.14Å; V886-F960 WeakPolarHBondContact O-CB 3.31Å; L956-F960 HydrophobicContact CD2-CD2 4.41Å; L956-F960 HydrophobicContact CD2-CE2 3.85Å; L956-F960 WeakPolarHBondContact O-CB 3.37Å; L956-F960 VanDerWaalsContact O-CD2 3.24Å; L956-F960 WeakPolarHBondContact O-CD2 3.21Å; L956-F960 PolarHBondContact O-N 3.4Å; H958-F960 VanDerWaalsContact C-N 3.32Å; H958-F960 PolarHBondContact O-N 3.49Å; F960-V963 HydrophobicContact CD1-CG2 4.41Å; F960-V963 PolarHBondContact O-N 2.65Å; F960-R964 WeakPolarHBondContact O-CB 3.3Å; F960-R964 PolarHBondContact O-N 2.81Å
961	R	91.6	Very high	92.1	Very high	131 Å²	131	54.6 Å²	54.6	49%	0.494	26%	0.259	S	S	.	.	H	α-helix	trans	-49.4	-54.5	175	-180	179.9	178.6	178.5	0.6	113.6	A957 H958 V963 R964 E965	A957-R961 WeakPolarHBondContact O-CB 3.36Å; A957-R961 PolarHBondContact O-N 3.42Å; A957-R961 VanDerWaalsContact O-N 3.16Å; H958-R961 WeakPolarHBondContact O-CB 3.48Å; H958-R961 PolarHBondContact O-N 3.28Å; R961-V963 VanDerWaalsContact C-N 3.3Å; R961-V963 PolarHBondContact O-N 3.16Å; R961-R964 PolarHBondContact O-N 3.23Å; R961-E965 WeakPolarHBondContact CG-OE1 3.45Å; R961-E965 IonicContact CZ-OE1 3.43Å; R961-E965 IonicContact NE-OE1 3.95Å; R961-E965 PolarHBondContact NE-OE1 2.91Å; R961-E965 IonicContact NH2-OE1 3.23Å; R961-E965 WeakPolarHBondContact O-CG 3.3Å; R961-E965 PolarHBondContact O-N 3.16Å
962	P	90.4	Very high	92	Very high	80 Å²	80	57.2 Å²	57.2	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-36.9	-178.6	24.6	-34.5	0	0	0	112.1	Q966	P962-Q966 WeakPolarHBondContact O-CB 3.49Å; P962-Q966 PolarHBondContact O-N 3.14Å
963	V	91.1	Very high	91.7	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-47.6	177.7	-177.6	0	0	0	0	110	A745 V886 F960 R961 Q966 V967	A745-V963 HydrophobicContact CB-CG1 4Å; V886-V963 HydrophobicContact CB-CG1 4.38Å; V886-V963 HydrophobicContact CG2-CG1 4.21Å; F960-V963 HydrophobicContact CD1-CG2 4.41Å; F960-V963 PolarHBondContact O-N 2.65Å; R961-V963 VanDerWaalsContact C-N 3.3Å; R961-V963 PolarHBondContact O-N 3.16Å; V963-Q966 PolarHBondContact O-N 2.99Å; V963-V967 HydrophobicContact CG1-CG2 4.31Å; V963-V967 WeakPolarHBondContact O-CB 3.48Å; V963-V967 VanDerWaalsContact O-CG2 3.29Å; V963-V967 WeakPolarHBondContact O-CG2 3.47Å; V963-V967 PolarHBondContact O-N 2.86Å
964	R	91.4	Very high	91.5	Very high	27 Å²	27	65.1 Å²	65.1	10%	0.102	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-45.1	179.6	179.2	175.2	61.2	-150.5	-4.1	113	D887 D888 P890 F960 R961 Q966 K968	D887-R964 WeakPolarHBondContact O-CD 3.22Å; D888-R964 VanDerWaalsContact O-CD 3.28Å; D888-R964 WeakPolarHBondContact O-CD 3.45Å; D888-R964 PolarHBondContact O-NH1 3.24Å; P890-R964 VanDerWaalsContact N-NH1 3.13Å; F960-R964 WeakPolarHBondContact O-CB 3.3Å; F960-R964 PolarHBondContact O-N 2.81Å; R961-R964 PolarHBondContact O-N 3.23Å; R964-Q966 VanDerWaalsContact C-N 3.33Å; R964-K968 WeakPolarHBondContact O-CG 3.16Å; R964-K968 PolarHBondContact O-N 3.34Å; R964-K968 VanDerWaalsContact O-N 3.15Å
965	E	91.8	Very high	91.4	Very high	101 Å²	101	64.9 Å²	64.9	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-42.8	176.3	-71.5	173.1	-172	0	0	110.7	R961 K968 R969	R961-E965 WeakPolarHBondContact CG-OE1 3.45Å; R961-E965 IonicContact CZ-OE1 3.43Å; R961-E965 IonicContact NE-OE1 3.95Å; R961-E965 PolarHBondContact NE-OE1 2.91Å; R961-E965 IonicContact NH2-OE1 3.23Å; R961-E965 WeakPolarHBondContact O-CG 3.3Å; R961-E965 PolarHBondContact O-N 3.16Å; E965-K968 PolarHBondContact O-N 3.23Å; E965-R969 PolarHBondContact O-N 3.38Å
966	Q	91.5	Very high	91.3	Very high	47 Å²	47	66.4 Å²	66.4	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-70.2	-37.9	179.7	-175.2	57.7	20.4	0	0	113.1	A745 P962 V963 R964 R969 L970	A745-Q966 HydrophobicContact CB-CB 3.79Å; A745-Q966 HydrophobicContact CB-CG 3.68Å; P962-Q966 WeakPolarHBondContact O-CB 3.49Å; P962-Q966 PolarHBondContact O-N 3.14Å; V963-Q966 PolarHBondContact O-N 2.99Å; R964-Q966 VanDerWaalsContact C-N 3.33Å; Q966-R969 VanDerWaalsContact CD-NH2 3.25Å; Q966-R969 PolarHBondContact O-N 3.35Å; Q966-L970 HydrophobicContact CG-CD1 4.06Å; Q966-L970 HydrophobicContact CG-CG 4.45Å; Q966-L970 WeakPolarHBondContact O-CB 3.41Å; Q966-L970 WeakPolarHBondContact O-CG 3.22Å; Q966-L970 PolarHBondContact O-N 3.4Å
967	V	91.1	Very high	91.3	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-48	172.9	168.2	0	0	0	0	110.2	A745 D887 V963 R969 L970 L971	A745-V967 HydrophobicContact CB-CB 4.37Å; A745-V967 HydrophobicContact CB-CG2 3.41Å; A745-V967 VanDerWaalsContact CB-CG2 3.41Å; D887-V967 HydrophobicContact CB-CG1 4.32Å; V963-V967 HydrophobicContact CG1-CG2 4.31Å; V963-V967 WeakPolarHBondContact O-CB 3.48Å; V963-V967 VanDerWaalsContact O-CG2 3.29Å; V963-V967 WeakPolarHBondContact O-CG2 3.47Å; V963-V967 PolarHBondContact O-N 2.86Å; V967-R969 VanDerWaalsContact C-N 3.33Å; V967-R969 PolarHBondContact O-N 3.09Å; V967-L970 PolarHBondContact O-N 3.48Å; V967-L971 HydrophobicContact CG1-CD1 3.67Å; V967-L971 HydrophobicContact CG1-CG 4.19Å; V967-L971 WeakPolarHBondContact O-CB 3.32Å; V967-L971 WeakPolarHBondContact O-CG 3.44Å; V967-L971 PolarHBondContact O-N 2.96Å
968	K	90.8	Very high	91.3	Very high	138 Å²	138	70 Å²	70	60%	0.6	35%	0.347	S	S	*	.	H	α-helix	trans	-57.9	-45	177.3	-74	178.9	174.1	-176.8	0	111.7	R964 E965 L971 S972	R964-K968 WeakPolarHBondContact O-CG 3.16Å; R964-K968 PolarHBondContact O-N 3.34Å; R964-K968 VanDerWaalsContact O-N 3.15Å; E965-K968 PolarHBondContact O-N 3.23Å; K968-L971 PolarHBondContact O-N 3.22Å; K968-S972 PolarHBondContact O-N 3.34Å; K968-S972 VanDerWaalsContact O-N 3.1Å; K968-S972 PolarHBondContact O-OG 2.9Å
969	R	92.1	Very high	91.3	Very high	159 Å²	159	69.7 Å²	69.7	60%	0.6	34%	0.344	S	S	*	.	H	α-helix	trans	-61.6	-47	176.7	-172.7	175	72.6	134.2	-5.3	112.4	E965 Q966 V967 S972 N973	E965-R969 PolarHBondContact O-N 3.38Å; Q966-R969 VanDerWaalsContact CD-NH2 3.25Å; Q966-R969 PolarHBondContact O-N 3.35Å; V967-R969 VanDerWaalsContact C-N 3.33Å; V967-R969 PolarHBondContact O-N 3.09Å; R969-S972 PolarHBondContact O-N 3.21Å; R969-S972 PolarHBondContact O-OG 3.44Å; R969-N973 PolarHBondContact O-N 3.32Å
970	L	91.7	Very high	91.5	Very high	11 Å²	11	68.8 Å²	68.8	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-39.3	179.9	-72.8	170.5	0	0	0	112.2	A741 M744 A745 Q966 V967 S972 N973 V976 I977	A741-L970 HydrophobicContact CB-CB 4.1Å; A741-L970 WeakPolarHBondContact O-CD1 3.41Å; M744-L970 HydrophobicContact CB-CD1 3.64Å; M744-L970 HydrophobicContact CE-CD2 4.08Å; A745-L970 HydrophobicContact CB-CD1 4.3Å; Q966-L970 HydrophobicContact CG-CD1 4.06Å; Q966-L970 HydrophobicContact CG-CG 4.45Å; Q966-L970 WeakPolarHBondContact O-CB 3.41Å; Q966-L970 WeakPolarHBondContact O-CG 3.22Å; Q966-L970 PolarHBondContact O-N 3.4Å; V967-L970 PolarHBondContact O-N 3.48Å; L970-S972 VanDerWaalsContact C-N 3.3Å; L970-S972 PolarHBondContact O-N 2.86Å; L970-N973 CarbonylContact O-C 3.57Å; L970-N973 PolarHBondContact O-N 3.37Å; L970-N973 VanDerWaalsContact O-N 3.09Å; L970-N973 VanDerWaalsContact O-O 3.05Å; L970-V976 HydrophobicContact CD2-CG1 4.37Å; L970-I977 HydrophobicContact CB-CD1 4.24Å; L970-I977 HydrophobicContact CB-CG1 4.41Å; L970-I977 WeakPolarHBondContact O-CD1 3.49Å
971	L	90.7	Very high	91.6	Very high	57 Å²	57	69.3 Å²	69.3	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-68.2	-28.7	177.2	-71	177.4	0	0	0	112.8	I737 A741 V967 K968 N973	I737-L971 HydrophobicContact CG2-CD2 4.11Å; A741-L971 HydrophobicContact CB-CD2 3.92Å; A741-L971 HydrophobicContact CB-CG 4.17Å; V967-L971 HydrophobicContact CG1-CD1 3.67Å; V967-L971 HydrophobicContact CG1-CG 4.19Å; V967-L971 WeakPolarHBondContact O-CB 3.32Å; V967-L971 WeakPolarHBondContact O-CG 3.44Å; V967-L971 PolarHBondContact O-N 2.96Å; K968-L971 PolarHBondContact O-N 3.22Å; L971-N973 VanDerWaalsContact C-N 3.28Å
972	S	90.1	Very high	91.7	Very high	100 Å²	100	65.4 Å²	65.4	70%	0.699	34%	0.336	S	S	*	.	H	α-helix	trans	-71.9	-18.8	170.7	63.9	0	0	0	0	114.1	K968 R969 L970	K968-S972 PolarHBondContact O-N 3.34Å; K968-S972 VanDerWaalsContact O-N 3.1Å; K968-S972 PolarHBondContact O-OG 2.9Å; R969-S972 PolarHBondContact O-N 3.21Å; R969-S972 PolarHBondContact O-OG 3.44Å; L970-S972 VanDerWaalsContact C-N 3.3Å; L970-S972 PolarHBondContact O-N 2.86Å
973	N	88.6	Confident	91.9	Very high	78 Å²	78	66 Å²	66	42%	0.417	34%	0.335	S	S	.	.			trans	-133.2	75.9	179.1	-171.9	-12.7	0	0	0	110.8	R969 L970 L971 D975 V976	R969-N973 PolarHBondContact O-N 3.32Å; L970-N973 CarbonylContact O-C 3.57Å; L970-N973 PolarHBondContact O-N 3.37Å; L970-N973 VanDerWaalsContact O-N 3.09Å; L970-N973 VanDerWaalsContact O-O 3.05Å; L971-N973 VanDerWaalsContact C-N 3.28Å; N973-D975 PolarHBondContact O-N 3.36Å; N973-V976 PolarHBondContact O-N 3.43Å
974	Q	89.8	Confident	92.1	Very high	91 Å²	91	65.9 Å²	65.9	43%	0.425	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-21.4	-175.7	-62.3	-175.8	7.5	0	0	113.4	I737 V976 I977 L978	I737-Q974 HydrophobicContact CG2-CG 4.23Å; Q974-V976 PolarHBondContact O-N 3.27Å; Q974-I977 WeakPolarHBondContact O-CA 3.39Å; Q974-I977 WeakPolarHBondContact O-CB 3.32Å; Q974-I977 PolarHBondContact O-N 2.89Å; Q974-L978 WeakPolarHBondContact O-CG 3.38Å; Q974-L978 PolarHBondContact O-N 3Å
975	D	91.6	Very high	92.2	Very high	101 Å²	101	65.1 Å²	65.1	54%	0.54	34%	0.336	S	S	.	.	H	α-helix	trans	-57.8	-35.3	178.8	-69.5	-22.4	0	0	0	112.2	N973 K979	N973-D975 PolarHBondContact O-N 3.36Å; D975-K979 VanDerWaalsContact O-CB 3.29Å; D975-K979 WeakPolarHBondContact O-CB 3.29Å; D975-K979 WeakPolarHBondContact O-CG 3.41Å; D975-K979 PolarHBondContact O-N 3.05Å
976	V	91.6	Very high	92.4	Very high	62 Å²	62	66.9 Å²	66.9	38%	0.376	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-43.6	176.6	-176.6	0	0	0	0	110.3	M744 L970 N973 Q974 K979 T980	M744-V976 HydrophobicContact CE-CG1 4.1Å; L970-V976 HydrophobicContact CD2-CG1 4.37Å; N973-V976 PolarHBondContact O-N 3.43Å; Q974-V976 PolarHBondContact O-N 3.27Å; V976-K979 PolarHBondContact O-N 3.32Å; V976-T980 PolarHBondContact O-N 3.49Å; V976-T980 PolarHBondContact O-OG1 3.31Å
977	I	92.6	Very high	92.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-48.7	179.2	-56.6	170.6	0	0	0	110	I737 T740 A741 M744 L970 Q974 K979 T980 L981	I737-I977 HydrophobicContact CG2-CD1 3.81Å; T740-I977 HydrophobicContact CG2-CG2 3.59Å; A741-I977 HydrophobicContact CB-CD1 3.73Å; M744-I977 HydrophobicContact SD-CG1 4.35Å; L970-I977 HydrophobicContact CB-CD1 4.24Å; L970-I977 HydrophobicContact CB-CG1 4.41Å; L970-I977 WeakPolarHBondContact O-CD1 3.49Å; Q974-I977 WeakPolarHBondContact O-CA 3.39Å; Q974-I977 WeakPolarHBondContact O-CB 3.32Å; Q974-I977 PolarHBondContact O-N 2.89Å; I977-K979 VanDerWaalsContact C-N 3.35Å; I977-K979 PolarHBondContact O-N 3.43Å; I977-T980 PolarHBondContact O-N 2.88Å; I977-L981 HydrophobicContact CG2-CD1 4.3Å; I977-L981 PolarHBondContact O-N 3.33Å
978	L	93.7	Very high	92.6	Very high	88 Å²	88	68.5 Å²	68.5	46%	0.461	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-41.2	179.7	-65.8	176.4	0	0	0	111.5	Q974 L981 A982	Q974-L978 WeakPolarHBondContact O-CG 3.38Å; Q974-L978 PolarHBondContact O-N 3Å; L978-L981 PolarHBondContact O-N 3.02Å; L978-A982 VanDerWaalsContact O-CB 3.31Å; L978-A982 WeakPolarHBondContact O-CB 3.48Å; L978-A982 PolarHBondContact O-N 3.19Å
979	K	93.5	Very high	92.9	Very high	139 Å²	139	65.3 Å²	65.3	60%	0.604	34%	0.336	S	S	*	.	H	α-helix	trans	-63	-42.3	174.1	-76.6	173.1	-177.1	175.5	0	112	D975 V976 I977 A982 N983	D975-K979 VanDerWaalsContact O-CB 3.29Å; D975-K979 WeakPolarHBondContact O-CB 3.29Å; D975-K979 WeakPolarHBondContact O-CG 3.41Å; D975-K979 PolarHBondContact O-N 3.05Å; V976-K979 PolarHBondContact O-N 3.32Å; I977-K979 VanDerWaalsContact C-N 3.35Å; I977-K979 PolarHBondContact O-N 3.43Å; K979-A982 PolarHBondContact O-N 3.23Å; K979-N983 WeakPolarHBondContact O-CB 3.25Å; K979-N983 VanDerWaalsContact O-CG 3.26Å; K979-N983 PolarHBondContact O-N 3.36Å; K979-N983 PolarHBondContact O-ND2 2.86Å
980	T	93.1	Very high	93	Very high	25 Å²	25	62.6 Å²	62.6	15%	0.153	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-46.8	175.7	-61.1	0	0	0	0	111.3	M744 V976 I977 N983 G984	M744-T980 HydrophobicContact CE-CG2 4.34Å; M744-T980 WeakPolarHBondContact CE-OG1 3.29Å; M744-T980 HydrophobicContact SD-CG2 4.21Å; V976-T980 PolarHBondContact O-N 3.49Å; V976-T980 PolarHBondContact O-OG1 3.31Å; I977-T980 PolarHBondContact O-N 2.88Å; T980-N983 PolarHBondContact O-N 3.23Å; T980-G984 PolarHBondContact O-N 3.44Å
981	L	94.1	Very high	93.1	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-42.8	177	-71.4	172.2	0	0	0	112.3	I717 V736 T740 I755 Q757 I977 L978 A985	I717-L981 HydrophobicContact CG1-CD2 4.29Å; V736-L981 HydrophobicContact CG1-CD1 4.3Å; T740-L981 HydrophobicContact CG2-CD1 4.26Å; T740-L981 HydrophobicContact CG2-CD2 3.85Å; T740-L981 HydrophobicContact CG2-CG 3.94Å; I755-L981 HydrophobicContact CG2-CD2 4.3Å; Q757-L981 HydrophobicContact CB-CD2 4.44Å; I977-L981 HydrophobicContact CG2-CD1 4.3Å; I977-L981 PolarHBondContact O-N 3.33Å; L978-L981 PolarHBondContact O-N 3.02Å; L981-A985 VanDerWaalsContact O-CB 3.25Å; L981-A985 WeakPolarHBondContact O-CB 3.19Å; L981-A985 PolarHBondContact O-N 3.21Å
982	A	94.7	Very high	93.4	Very high	49 Å²	49	61 Å²	61	41%	0.405	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-43.5	179.2	0	0	0	0	0	112.3	L978 K979 A985 K986	L978-A982 VanDerWaalsContact O-CB 3.31Å; L978-A982 WeakPolarHBondContact O-CB 3.48Å; L978-A982 PolarHBondContact O-N 3.19Å; K979-A982 PolarHBondContact O-N 3.23Å; A982-A985 PolarHBondContact O-N 2.88Å; A982-K986 WeakPolarHBondContact O-CG 3.14Å; A982-K986 PolarHBondContact O-N 2.8Å; A982-K986 VanDerWaalsContact O-N 3.14Å
983	N	94.1	Very high	93.6	Very high	92 Å²	92	59.5 Å²	59.5	49%	0.492	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-43.8	176.5	-71.2	-14.4	0	0	0	111.3	K979 T980 A985 K986 E987	K979-N983 WeakPolarHBondContact O-CB 3.25Å; K979-N983 VanDerWaalsContact O-CG 3.26Å; K979-N983 PolarHBondContact O-N 3.36Å; K979-N983 PolarHBondContact O-ND2 2.86Å; T980-N983 PolarHBondContact O-N 3.23Å; N983-A985 VanDerWaalsContact C-N 3.31Å; N983-A985 PolarHBondContact O-N 2.99Å; N983-K986 PolarHBondContact O-N 3.4Å; N983-E987 PolarHBondContact O-N 3.43Å
984	G	94.6	Very high	93.9	Very high	6 Å²	6	62.2 Å²	62.2	6%	0.062	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-38.1	176.3	0	0	0	0	0	112.6	V754 I755 T980 E987 A988	V754-G984 WeakPolarHBondContact CG1-O 3.2Å; I755-G984 WeakPolarHBondContact O-CA 3.42Å; T980-G984 PolarHBondContact O-N 3.44Å; G984-E987 PolarHBondContact O-N 3.36Å; G984-A988 WeakPolarHBondContact O-CB 3.42Å; G984-A988 PolarHBondContact O-N 3.12Å
985	A	95.2	Very high	94	Very high	12 Å²	12	58 Å²	58	10%	0.099	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-44.9	175.5	0	0	0	0	0	111.6	F756 V761 L981 A982 N983 E987 A988 E989	F756-A985 HydrophobicContact CB-CB 4.33Å; V761-A985 HydrophobicContact CG2-CB 4.39Å; L981-A985 VanDerWaalsContact O-CB 3.25Å; L981-A985 WeakPolarHBondContact O-CB 3.19Å; L981-A985 PolarHBondContact O-N 3.21Å; A982-A985 PolarHBondContact O-N 2.88Å; N983-A985 VanDerWaalsContact C-N 3.31Å; N983-A985 PolarHBondContact O-N 2.99Å; A985-E987 PolarHBondContact O-N 2.68Å; A985-A988 PolarHBondContact O-N 2.81Å; A985-E989 WeakPolarHBondContact O-CB 3.46Å; A985-E989 PolarHBondContact O-N 3.13Å
986	K	95	Very high	94.1	Very high	138 Å²	138	53.3 Å²	53.3	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-59.2	-46.6	175.3	-71.7	174.7	-179.3	179.7	0	112.2	A982 N983 E989 V990	A982-K986 WeakPolarHBondContact O-CG 3.14Å; A982-K986 PolarHBondContact O-N 2.8Å; A982-K986 VanDerWaalsContact O-N 3.14Å; N983-K986 PolarHBondContact O-N 3.4Å; K986-E989 PolarHBondContact O-N 3.14Å; K986-V990 WeakPolarHBondContact O-CG2 3.44Å; K986-V990 PolarHBondContact O-N 3.05Å
987	E	93.7	Very high	94.2	Very high	83 Å²	83	52.7 Å²	52.7	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-43	178	-72.7	-173.5	-152.5	0	0	112.3	R712 V754 N983 G984 A985	R712-E987 IonicContact CZ-OE2 3.81Å; R712-E987 IonicContact NH2-OE2 2.76Å; R712-E987 PolarHBondContact NH2-OE2 3.47Å; V754-E987 HydrophobicContact CG1-CB 4.05Å; V754-E987 WeakPolarHBondContact CG2-OE2 3.44Å; N983-E987 PolarHBondContact O-N 3.43Å; G984-E987 PolarHBondContact O-N 3.36Å; A985-E987 PolarHBondContact O-N 2.68Å
988	A	94.5	Very high	94.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-37.8	178.7	0	0	0	0	0	111.9	F756 V761 Y816 G984 A985 V990 V991 A992	F756-A988 HydrophobicContact CB-CB 4.5Å; F756-A988 HydrophobicContact CD1-CB 3.73Å; F756-A988 HydrophobicContact CD2-CB 4.06Å; F756-A988 HydrophobicContact CE1-CB 3.9Å; F756-A988 HydrophobicContact CE2-CB 4.24Å; F756-A988 HydrophobicContact CG-CB 3.82Å; F756-A988 HydrophobicContact CZ-CB 4.16Å; V761-A988 HydrophobicContact CG2-CB 4.22Å; Y816-A988 HydrophobicContact CE1-CB 3.82Å; G984-A988 WeakPolarHBondContact O-CB 3.42Å; G984-A988 PolarHBondContact O-N 3.12Å; A985-A988 PolarHBondContact O-N 2.81Å; A988-V990 PolarHBondContact O-N 3.49Å; A988-V991 PolarHBondContact O-N 2.95Å; A988-A992 WeakPolarHBondContact O-CB 3.37Å; A988-A992 PolarHBondContact O-N 3.41Å
989	E	95.8	Very high	94.1	Very high	71 Å²	71	49.7 Å²	49.7	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-39.2	180	-175.9	167.9	-147.3	0	0	112.1	V761 A985 K986 V991 A992 M993	V761-E989 HydrophobicContact CG1-CB 4.38Å; V761-E989 HydrophobicContact CG2-CB 4.49Å; A985-E989 WeakPolarHBondContact O-CB 3.46Å; A985-E989 PolarHBondContact O-N 3.13Å; K986-E989 PolarHBondContact O-N 3.14Å; E989-V991 PolarHBondContact O-N 3.29Å; E989-A992 PolarHBondContact O-N 3.48Å; E989-M993 WeakPolarHBondContact O-CB 3.34Å; E989-M993 PolarHBondContact O-N 3.35Å
990	V	95	Very high	94	Very high	102 Å²	102	45.2 Å²	45.2	62%	0.618	24%	0.238	S	C	*	.	H	α-helix	trans	-57.2	-50.4	176.8	173.1	0	0	0	0	111.2	K986 A988 E994	K986-V990 WeakPolarHBondContact O-CG2 3.44Å; K986-V990 PolarHBondContact O-N 3.05Å; A988-V990 PolarHBondContact O-N 3.49Å; V990-E994 PolarHBondContact O-N 3.21Å; V990-E994 VanDerWaalsContact O-N 3.13Å
991	V	94.2	Very high	93.9	Very high	35 Å²	35	51.1 Å²	51.1	21%	0.212	26%	0.258	C	S	.	.	H	α-helix	trans	-70.9	-40.1	-178.4	179.3	0	0	0	0	111.8	Y714 Y816 A988 E989 T995	Y714-V991 WeakPolarHBondContact OH-CG2 3.29Å; Y816-V991 HydrophobicContact CD1-CB 4.49Å; Y816-V991 HydrophobicContact CD1-CG1 4.29Å; A988-V991 PolarHBondContact O-N 2.95Å; E989-V991 PolarHBondContact O-N 3.29Å; V991-T995 WeakPolarHBondContact O-CB 3.46Å; V991-T995 PolarHBondContact O-N 3.12Å; V991-T995 VanDerWaalsContact O-N 3.12Å; V991-T995 PolarHBondContact O-OG1 3.41Å
992	A	95.8	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-41.9	178.6	0	0	0	0	0	111.4	V761 C763 L815 Y816 A988 E989 T995 L996	V761-A992 HydrophobicContact CG1-CB 3.95Å; C763-A992 HydrophobicContact CB-CB 3.75Å; L815-A992 HydrophobicContact CB-CB 4.24Å; L815-A992 HydrophobicContact CD2-CB 4.05Å; L815-A992 WeakPolarHBondContact CD2-O 3.43Å; Y816-A992 HydrophobicContact CE1-CB 4.24Å; A988-A992 WeakPolarHBondContact O-CB 3.37Å; A988-A992 PolarHBondContact O-N 3.41Å; E989-A992 PolarHBondContact O-N 3.48Å; A992-T995 PolarHBondContact O-N 3.05Å; A992-L996 VanDerWaalsContact O-CB 3.25Å; A992-L996 WeakPolarHBondContact O-CB 3.42Å; A992-L996 PolarHBondContact O-N 2.66Å
993	M	94.8	Very high	93.5	Very high	68 Å²	68	52.3 Å²	52.3	34%	0.335	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-45.1	178.2	-169.7	69.4	81	0	0	111.3	E989 T995 L996 E997	E989-M993 WeakPolarHBondContact O-CB 3.34Å; E989-M993 PolarHBondContact O-N 3.35Å; M993-T995 VanDerWaalsContact C-N 3.3Å; M993-T995 PolarHBondContact O-N 3.17Å; M993-L996 PolarHBondContact O-N 2.8Å; M993-E997 HydrophobicContact CG-CG 4.33Å; M993-E997 WeakPolarHBondContact O-CB 3.25Å; M993-E997 WeakPolarHBondContact O-CG 3.01Å; M993-E997 PolarHBondContact O-N 3.34Å; M993-E997 HydrophobicContact SD-CG 4.46Å
994	E	93.6	Very high	93.2	Very high	134 Å²	134	50.5 Å²	50.5	63%	0.626	27%	0.267	S	S	*	.	H	α-helix	trans	-58.1	-43.5	176.5	-174.6	-175.5	178.6	0	0	111.9	V990 S998	V990-E994 PolarHBondContact O-N 3.21Å; V990-E994 VanDerWaalsContact O-N 3.13Å; E994-S998 WeakPolarHBondContact O-CB 3.14Å; E994-S998 PolarHBondContact O-N 3.15Å; E994-S998 PolarHBondContact O-OG 3.44Å
995	T	93.7	Very high	92.8	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-42.9	178.4	-60.1	0	0	0	0	111.4	M767 L815 R817 F850 V991 A992 M993 S998 L999	M767-T995 HydrophobicContact CE-CG2 4.17Å; L815-T995 WeakPolarHBondContact O-CB 3.32Å; L815-T995 PolarHBondContact O-OG1 3.12Å; L815-T995 VanDerWaalsContact O-OG1 3.05Å; R817-T995 HydrophobicContact CG-CG2 4.08Å; F850-T995 HydrophobicContact CD1-CG2 4.25Å; F850-T995 HydrophobicContact CE1-CG2 3.61Å; V991-T995 WeakPolarHBondContact O-CB 3.46Å; V991-T995 PolarHBondContact O-N 3.12Å; V991-T995 VanDerWaalsContact O-N 3.12Å; V991-T995 PolarHBondContact O-OG1 3.41Å; A992-T995 PolarHBondContact O-N 3.05Å; M993-T995 VanDerWaalsContact C-N 3.3Å; M993-T995 PolarHBondContact O-N 3.17Å; T995-S998 PolarHBondContact O-N 3.21Å; T995-L999 PolarHBondContact O-N 3.25Å; T995-L999 VanDerWaalsContact O-N 3.09Å
996	L	93.9	Very high	92.1	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-45.1	177.5	-178.8	65.2	0	0	0	111.8	C763 N766 M767 L770 L815 A992 M993 S998 L999 K1000	C763-L996 HydrophobicContact CB-CD2 4.1Å; N766-L996 HydrophobicContact CB-CD1 4.04Å; N766-L996 HydrophobicContact CB-CD2 3.67Å; M767-L996 HydrophobicContact CB-CD1 4.33Å; L770-L996 HydrophobicContact CD1-CD1 3.79Å; L815-L996 HydrophobicContact CD2-CB 4.24Å; A992-L996 VanDerWaalsContact O-CB 3.25Å; A992-L996 WeakPolarHBondContact O-CB 3.42Å; A992-L996 PolarHBondContact O-N 2.66Å; M993-L996 PolarHBondContact O-N 2.8Å; L996-S998 VanDerWaalsContact C-N 3.3Å; L996-S998 PolarHBondContact O-N 3.05Å; L996-L999 PolarHBondContact O-N 3.2Å; L996-L999 VanDerWaalsContact O-N 3.15Å; L996-K1000 HydrophobicContact CG-CD 4.33Å; L996-K1000 HydrophobicContact CG-CG 4.44Å; L996-K1000 WeakPolarHBondContact O-CG 3.45Å; L996-K1000 PolarHBondContact O-N 3.07Å
997	E	92.7	Very high	90.7	Very high	49 Å²	49	59.1 Å²	59.1	23%	0.229	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-34.8	177.8	-72.3	-53.1	138.6	0	0	112.1	M993 L999 K1000 R1001 Q1006	M993-E997 HydrophobicContact CG-CG 4.33Å; M993-E997 WeakPolarHBondContact O-CB 3.25Å; M993-E997 WeakPolarHBondContact O-CG 3.01Å; M993-E997 PolarHBondContact O-N 3.34Å; M993-E997 HydrophobicContact SD-CG 4.46Å; E997-L999 VanDerWaalsContact C-N 3.34Å; E997-K1000 PolarHBondContact O-N 3.3Å; E997-K1000 WeakPolarHBondContact OE1-CD 3.35Å; E997-K1000 IonicContact OE1-NZ 2.7Å; E997-K1000 PolarHBondContact OE1-NZ 3.33Å; E997-R1001 WeakPolarHBondContact O-CB 3.42Å; E997-R1001 WeakPolarHBondContact O-CG 3.38Å; E997-R1001 PolarHBondContact O-N 2.99Å; E997-Q1006 PolarHBondContact OE2-NE2 3.09Å
998	S	91.7	Very high	88.7	Confident	24 Å²	24	68.1 Å²	68.1	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-40.3	171.9	-62.5	0	0	0	0	112.3	E994 T995 L996 R1001 A1002	E994-S998 WeakPolarHBondContact O-CB 3.14Å; E994-S998 PolarHBondContact O-N 3.15Å; E994-S998 PolarHBondContact O-OG 3.44Å; T995-S998 PolarHBondContact O-N 3.21Å; L996-S998 VanDerWaalsContact C-N 3.3Å; L996-S998 PolarHBondContact O-N 3.05Å; S998-R1001 PolarHBondContact OG-NH2 3.5Å; S998-A1002 PolarHBondContact O-N 2.83Å
999	L	92	Very high	88.4	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-70.2	-44.2	173.5	-177.5	62.8	0	0	0	112	M767 L770 L841 L849 F850 T995 L996 E997 R1001 A1002 V1003	M767-L999 HydrophobicContact CE-CD2 4.13Å; M767-L999 HydrophobicContact SD-CD2 3.49Å; M767-L999 WeakPolarHBondContact SD-CD2 3.43Å; L770-L999 HydrophobicContact CB-CD2 4.09Å; L770-L999 HydrophobicContact CD1-CD2 3.78Å; L770-L999 HydrophobicContact CD1-CG 4.19Å; L841-L999 HydrophobicContact CD2-CD1 4.21Å; L849-L999 HydrophobicContact CD1-CD1 4.08Å; F850-L999 HydrophobicContact CE2-CD1 4.27Å; F850-L999 HydrophobicContact CZ-CB 4.38Å; F850-L999 HydrophobicContact CZ-CD1 4.36Å; F850-L999 HydrophobicContact CZ-CD2 4.19Å; T995-L999 PolarHBondContact O-N 3.25Å; T995-L999 VanDerWaalsContact O-N 3.09Å; L996-L999 PolarHBondContact O-N 3.2Å; L996-L999 VanDerWaalsContact O-N 3.15Å; E997-L999 VanDerWaalsContact C-N 3.34Å; L999-R1001 VanDerWaalsContact C-N 3.28Å; L999-R1001 PolarHBondContact O-N 2.88Å; L999-A1002 PolarHBondContact O-N 3.39Å; L999-V1003 HydrophobicContact CD1-CG2 3.88Å; L999-V1003 HydrophobicContact CG-CG2 4.03Å; L999-V1003 VanDerWaalsContact O-CG2 3.25Å; L999-V1003 WeakPolarHBondContact O-CG2 3.43Å; L999-V1003 PolarHBondContact O-N 3.42Å
1000	K	92	Very high	88.1	Confident	45 Å²	45	71.6 Å²	71.6	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-57	-41.7	176.9	-76.2	176.8	179.8	173.5	0	111.7	L770 L996 E997 V1003 G1004 L1005	L770-K1000 HydrophobicContact CD1-CG 4.44Å; L996-K1000 HydrophobicContact CG-CD 4.33Å; L996-K1000 HydrophobicContact CG-CG 4.44Å; L996-K1000 WeakPolarHBondContact O-CG 3.45Å; L996-K1000 PolarHBondContact O-N 3.07Å; E997-K1000 PolarHBondContact O-N 3.3Å; E997-K1000 WeakPolarHBondContact OE1-CD 3.35Å; E997-K1000 IonicContact OE1-NZ 2.7Å; E997-K1000 PolarHBondContact OE1-NZ 3.33Å; K1000-V1003 PolarHBondContact O-N 2.85Å; K1000-G1004 PolarHBondContact O-N 2.93Å; K1000-L1005 HydrophobicContact CB-CB 4.18Å; K1000-L1005 HydrophobicContact CG-CB 4.4Å; K1000-L1005 HydrophobicContact CG-CD1 4.29Å; K1000-L1005 PolarHBondContact O-N 2.67Å
1001	R	90.5	Very high	87.7	Confident	150 Å²	150	69.9 Å²	69.9	57%	0.566	36%	0.362	S	S	*	.	H	α-helix	trans	-58.9	-47.4	171.9	-78.7	-175.4	-65.5	174	1.7	112.4	E997 S998 L999 V1003 G1004 Q1006	E997-R1001 WeakPolarHBondContact O-CB 3.42Å; E997-R1001 WeakPolarHBondContact O-CG 3.38Å; E997-R1001 PolarHBondContact O-N 2.99Å; S998-R1001 PolarHBondContact OG-NH2 3.5Å; L999-R1001 VanDerWaalsContact C-N 3.28Å; L999-R1001 PolarHBondContact O-N 2.88Å; R1001-V1003 PolarHBondContact O-N 2.9Å; R1001-G1004 PolarHBondContact O-N 2.76Å; R1001-Q1006 VanDerWaalsContact CD-OE1 3.27Å; R1001-Q1006 HydrophobicContact CG-CB 4.35Å; R1001-Q1006 HydrophobicContact CG-CG 4Å
1002	A	90.1	Very high	87.3	Confident	34 Å²	34	71.9 Å²	71.9	28%	0.281	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-37.9	179.5	0	0	0	0	0	112.7	Y845 L849 S998 L999 G1004	Y845-A1002 HydrophobicContact CD1-CB 4.05Å; Y845-A1002 WeakPolarHBondContact CD1-O 3.43Å; Y845-A1002 HydrophobicContact CD2-CB 4.38Å; Y845-A1002 WeakPolarHBondContact CE1-O 3.44Å; Y845-A1002 HydrophobicContact CG-CB 3.93Å; L849-A1002 HydrophobicContact CD1-CB 3.92Å; L849-A1002 HydrophobicContact CD2-CB 4.11Å; S998-A1002 PolarHBondContact O-N 2.83Å; L999-A1002 PolarHBondContact O-N 3.39Å; A1002-G1004 VanDerWaalsContact C-N 3.32Å
1003	V	89.6	Confident	86.8	Confident	49 Å²	49	76.4 Å²	76.4	30%	0.297	39%	0.394	S	S	.	.	H	α-helix	trans	-75.3	-21.5	178.9	178.2	0	0	0	0	112.2	Y845 L999 K1000 R1001 L1005	Y845-V1003 HydrophobicContact CE2-CG2 4.1Å; Y845-V1003 WeakPolarHBondContact OH-CG2 3.35Å; L999-V1003 HydrophobicContact CD1-CG2 3.88Å; L999-V1003 HydrophobicContact CG-CG2 4.03Å; L999-V1003 VanDerWaalsContact O-CG2 3.25Å; L999-V1003 WeakPolarHBondContact O-CG2 3.43Å; L999-V1003 PolarHBondContact O-N 3.42Å; K1000-V1003 PolarHBondContact O-N 2.85Å; R1001-V1003 PolarHBondContact O-N 2.9Å; V1003-L1005 HydrophobicContact CG1-CD1 4.36Å; V1003-L1005 HydrophobicContact CG1-CG 4.23Å
1004	G	88	Confident	86.2	Confident	55 Å²	55	77 Å²	77	57%	0.567	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	25.1	-179.7	0	0	0	0	0	114.6	K1000 R1001 A1002	K1000-G1004 PolarHBondContact O-N 2.93Å; R1001-G1004 PolarHBondContact O-N 2.76Å; A1002-G1004 VanDerWaalsContact C-N 3.32Å
1005	L	87.9	Confident	85.7	Confident	104 Å²	104	72.9 Å²	72.9	55%	0.545	38%	0.382	S	S	.	.			trans	-87.7	-9.7	178.4	-69.5	174	0	0	0	114	L770 K1000 V1003	L770-L1005 HydrophobicContact CD2-CD1 3.69Å; K1000-L1005 HydrophobicContact CB-CB 4.18Å; K1000-L1005 HydrophobicContact CG-CB 4.4Å; K1000-L1005 HydrophobicContact CG-CD1 4.29Å; K1000-L1005 PolarHBondContact O-N 2.67Å; V1003-L1005 HydrophobicContact CG1-CD1 4.36Å; V1003-L1005 HydrophobicContact CG1-CG 4.23Å
1006	Q	79.1	Confident	85.1	Confident	97 Å²	97	78.3 Å²	78.3	45%	0.453	41%	0.41	S	S	.	.			trans	-90.6	107.1	170	-72.9	-167.5	-6.2	0	0	109.4	E997 R1001	E997-Q1006 PolarHBondContact OE2-NE2 3.09Å; R1001-Q1006 VanDerWaalsContact CD-OE1 3.27Å; R1001-Q1006 HydrophobicContact CG-CB 4.35Å; R1001-Q1006 HydrophobicContact CG-CG 4Å
1007	V	65.3	Low	84.3	Confident	136 Å²	136	84.7 Å²	84.7	82%	0.824	44%	0.443	S	S	*	.			trans	-87.6	128.3	168.4	-172.4	0	0	0	0	107.2
1008	K	53.1	Low	83.6	Confident	272 Å²	272	87.9 Å²	87.9	100%	1.183	46%	0.462	S	S	*	.			trans	-70.8	0	175.9	-81.7	-169.8	176.8	-177.5	0	111.8

Retrieved 1,008 of 1,008 residues in 394.3 ms (Link to these results)

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