A0A087Y4K1_POEFO Loading...

Neuroligin 3a

AlphaFold DB , UniProt , Accession A0A087Y4K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 817 aa.

						>A0A087Y4K1_POEFO|A0A087Y4K1
MWLCLRRNRFPLQNWRGVHSCTNFSVSLWVLSFCWCFAALRGQNYHPTVNTQYGKLRGVRVPLPSEILGPVDQYLGVPYAAPPVGEKRFMPPEPPSSWSGIKNATHFAPVCPQNIHNAVPEIMMPIWFTFNLDIVTTYIQDQHEDCLYLNIYVPTEDDIRDTGAKPVMVYIHGGSYMEGTGNMIDGSVLASYGNVIVITLNYRVGVLGFLSTGDQAAKGNYGLLDQIQALRWISENIGFFGGDSNRITVFGSGIGASCVSLLTLSHHSEGLFHRAIIQSGSALSSWAVNYQPVKYTRLLAEKVGCNVLDTSDMVDCLRKKSSRELVEQDIQPARYHVAFGPVIDGDVIPDDPEILMEQGEFLNYDIMLGVNQGEGLRFVENVVDSEDGVSGNDFDFSVSDFVDSLYGYPDGKDTLRETIKFMYTDWADRDNPETRRKTLVALFTDHQWVEPSVVTADLHARYGSPTYFYAFYHHCQSLMKPAWSDAAHGDEVPYVFGIPMIGPTDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNKPVPQDTKFIHTKANRFEEVAWSKYNPQDQLYLHIGLKPRVRDHYRATKVAFWKHLVPHLYNLHELFHYTSTTTKVPPPETTPKSVSTKRPNGKNWPFNTKRPPMSPAYNSEDKDSWSEDEETGPLVVDNPRDYSTELSVTIAVGASLLFLNVLAFAALYYRKDKRRQDSGHGQPSPQRQTTANDIGHHAPEEEIMSLQMNQTHHECEAGNSNEGALRLASLPDYTLTLRRSPDDIPLMTPNTITMIPNSLVGMPNLHPYNTFTTGFNSTGLPHSHSTTRV
					

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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	31.3	Very low	32.3	Very low	245 Å²	245	180 Å²	180	100%	1.207	84%	0.837	S	S	*	*				0	161.6	0	-165.1	156.5	161.3	0	0	108.5
2	W	31.2	Very low	32.2	Very low	234 Å²	234	175.8 Å²	175.8	89%	0.886	82%	0.824	S	S	*	*			trans	-56.6	140.2	-165.4	-78.7	18.6	0	0	0	115.1
3	L	37.6	Very low	32.4	Very low	127 Å²	127	174.5 Å²	174.5	67%	0.665	82%	0.817	S	S	*	*				75.7	115.7	62	-127.5	-179.5	0	0	0	113.5	L5	L3-L5 HydrophobicContact CD2-CD1 3.78Å
4	C	27.3	Very low	32.3	Very low	129 Å²	129	169.6 Å²	169.6	87%	0.872	80%	0.799	S	S	*	*			trans	-158.7	144.9	146.6	-150.8	0	0	0	0	111.9
5	L	38	Very low	32.2	Very low	138 Å²	138	175.2 Å²	175.2	72%	0.723	81%	0.81	S	S	*	*			trans	-109.1	156.2	174.4	-64.7	90.6	0	0	0	110.6	L3	L3-L5 HydrophobicContact CD2-CD1 3.78Å
6	R	27.2	Very low	32.4	Very low	255 Å²	255	178.9 Å²	178.9	96%	0.962	82%	0.815	S	S	*	*			trans	-151.2	157.6	136.3	-114.7	167.8	-169.7	-157.8	1	112.5
7	R	33.2	Very low	32.6	Very low	216 Å²	216	172.8 Å²	172.8	82%	0.815	81%	0.812	S	S	*	*			trans	-154.5	126.3	-162.1	178.4	-170.7	-168.9	-175.5	7.2	109.5
8	N	28.5	Very low	33.2	Very low	152 Å²	152	171 Å²	171	81%	0.813	81%	0.814	S	S	*	*			trans	-176.1	160.6	163.4	-94.7	-21.3	0	0	0	109.7
9	R	31.8	Very low	33.6	Very low	191 Å²	191	170.7 Å²	170.7	72%	0.721	81%	0.812	S	S	*	*			cis	-177.9	108	-49.5	-115.3	-162.4	173.9	-155.5	2.5	108.3
10	F	28.5	Very low	34.2	Very low	172 Å²	172	166.5 Å²	166.5	75%	0.754	80%	0.801	S	S	*	*			trans	61.8	172.5	152.5	-69.7	-66.5	0	0	0	118.8	L12	F10-L12 HydrophobicContact CD1-CD1 4.24Å; F10-L12 HydrophobicContact CE1-CD1 4.44Å
11	P	41.2	Very low	34.7	Very low	121 Å²	121	164 Å²	164	79%	0.786	80%	0.8	S	S	*	*			cis	-125.5	-179.1	2.2	31	-9.1	0	0	0	116.8
12	L	31.1	Very low	35.5	Very low	130 Å²	130	157 Å²	157	68%	0.681	77%	0.771	S	S	*	*			trans	-76	-176.7	164.7	-46.9	83.6	0	0	0	109.8	F10	F10-L12 HydrophobicContact CD1-CD1 4.24Å; F10-L12 HydrophobicContact CE1-CD1 4.44Å
13	Q	34.1	Very low	36.3	Very low	159 Å²	159	151.1 Å²	151.1	74%	0.743	76%	0.757	S	S	*	*			cis	-164.2	-172.1	7	-143.6	-173.5	-3.7	0	0	106.1
14	N	30.8	Very low	37	Very low	105 Å²	105	151.9 Å²	151.9	56%	0.561	76%	0.755	S	S	*	*			cis	-162.2	141.7	-0.4	-164.8	3.4	0	0	0	109.5
15	W	30.8	Very low	38.3	Very low	254 Å²	254	148.6 Å²	148.6	96%	0.962	73%	0.733	S	S	*	*			trans	-152.9	153.3	160.1	-101.4	91.6	0	0	0	111.5
16	R	35.7	Very low	39.2	Very low	235 Å²	235	146.2 Å²	146.2	89%	0.887	72%	0.724	S	S	*	*			trans	-98.8	147.9	-172.9	-64.9	176.1	173.3	178.2	-3	112.7
17	G	35.7	Very low	40.7	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	70%	0.701	S	S	*	*			trans	-164.5	123.9	166.7	0	0	0	0	0	112.4	H19	G17-H19 PolarHBondContact O-N 3.43Å
18	V	44.2	Very low	42.2	Very low	141 Å²	141	131.6 Å²	131.6	86%	0.855	69%	0.686	S	S	*	*			trans	-98.8	88	-171.7	-177.9	0	0	0	0	111.1
19	H	39.8	Very low	43.9	Very low	165 Å²	165	133.4 Å²	133.4	76%	0.764	68%	0.682	S	S	*	*			trans	-147.5	-2.3	172.1	-87.8	-63.6	0	0	0	116.2	G17	G17-H19 PolarHBondContact O-N 3.43Å
20	S	45.5	Very low	45.7	Very low	86 Å²	86	128.3 Å²	128.3	60%	0.601	67%	0.672	S	S	*	*	H	α-helix	trans	-75	-32.9	-164.7	-159	0	0	0	0	115.8	T22 N23 F24	S20-T22 PolarHBondContact O-N 3.07Å; S20-N23 PolarHBondContact O-N 3.49Å; S20-F24 PolarHBondContact O-N 3.41Å
21	C	44.7	Very low	47.7	Very low	114 Å²	114	125.6 Å²	125.6	77%	0.77	67%	0.665	S	S	*	*	H	α-helix	trans	-69.3	-31.3	-161.9	-58.7	0	0	0	0	115.4
22	T	48.3	Very low	48.9	Very low	99 Å²	99	123 Å²	123	61%	0.607	65%	0.65	S	S	*	*	H	α-helix	trans	-74.1	-47.8	176.6	45.9	0	0	0	0	111.6	S20 F24 S25 V26	S20-T22 PolarHBondContact O-N 3.07Å; T22-F24 VanDerWaalsContact C-N 3.32Å; T22-F24 PolarHBondContact O-N 3.21Å; T22-S25 WeakPolarHBondContact O-CB 3.25Å; T22-S25 PolarHBondContact O-N 3.4Å; T22-V26 PolarHBondContact O-N 3.34Å
23	N	49.1	Very low	50.3	Low	111 Å²	111	123.2 Å²	123.2	59%	0.594	65%	0.645	S	S	*	*	H	α-helix	trans	-64.2	-37	-179.2	-70.4	1.9	0	0	0	111.9	S20 S25 V26 S27	S20-N23 PolarHBondContact O-N 3.49Å; N23-S25 VanDerWaalsContact C-N 3.32Å; N23-S25 PolarHBondContact O-N 2.83Å; N23-V26 PolarHBondContact O-N 3.33Å; N23-S27 WeakPolarHBondContact O-CB 3.48Å; N23-S27 PolarHBondContact O-N 2.84Å; N23-S27 PolarHBondContact O-OG 3.4Å
24	F	51.2	Low	51.6	Low	143 Å²	143	119.2 Å²	119.2	63%	0.627	63%	0.634	S	S	*	*	H	α-helix	trans	-64.5	-36.5	177	-157.7	-99.1	0	0	0	112.5	S20 T22 L28	S20-F24 PolarHBondContact O-N 3.41Å; T22-F24 VanDerWaalsContact C-N 3.32Å; T22-F24 PolarHBondContact O-N 3.21Å; F24-L28 HydrophobicContact CD1-CD1 3.78Å; F24-L28 HydrophobicContact CE1-CD1 3.66Å; F24-L28 HydrophobicContact CE1-CG 4.44Å; F24-L28 WeakPolarHBondContact O-CB 3.46Å; F24-L28 PolarHBondContact O-N 2.91Å
25	S	55.4	Low	52.7	Low	59 Å²	59	124.5 Å²	124.5	41%	0.413	65%	0.646	S	S	.	*	H	α-helix	trans	-66	-49.2	173.4	-173	0	0	0	0	111.6	T22 N23 S27 L28 W29	T22-S25 WeakPolarHBondContact O-CB 3.25Å; T22-S25 PolarHBondContact O-N 3.4Å; N23-S25 VanDerWaalsContact C-N 3.32Å; N23-S25 PolarHBondContact O-N 2.83Å; S25-S27 VanDerWaalsContact C-N 3.35Å; S25-S27 PolarHBondContact O-N 3.25Å; S25-L28 PolarHBondContact O-N 3.45Å; S25-L28 VanDerWaalsContact O-N 3.15Å; S25-W29 PolarHBondContact O-N 3.06Å
26	V	57.3	Low	53.6	Low	88 Å²	88	115.6 Å²	115.6	53%	0.533	62%	0.622	S	S	.	*	H	α-helix	trans	-60.9	-43.1	178.8	176.5	0	0	0	0	111.3	T22 N23 L28 W29 V30	T22-V26 PolarHBondContact O-N 3.34Å; N23-V26 PolarHBondContact O-N 3.33Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 3.15Å; V26-W29 PolarHBondContact O-N 3.41Å; V26-V30 HydrophobicContact CG1-CG2 4.34Å; V26-V30 WeakPolarHBondContact O-CG2 3.44Å; V26-V30 PolarHBondContact O-N 3.44Å
27	S	58.6	Low	54.3	Low	67 Å²	67	109.6 Å²	109.6	47%	0.469	60%	0.602	S	S	.	*	H	α-helix	trans	-63.7	-36.6	175.5	-65.8	0	0	0	0	113	N23 S25 L31	N23-S27 WeakPolarHBondContact O-CB 3.48Å; N23-S27 PolarHBondContact O-N 2.84Å; N23-S27 PolarHBondContact O-OG 3.4Å; S25-S27 VanDerWaalsContact C-N 3.35Å; S25-S27 PolarHBondContact O-N 3.25Å; S27-L31 VanDerWaalsContact O-CB 3.27Å; S27-L31 WeakPolarHBondContact O-CB 3.22Å; S27-L31 VanDerWaalsContact O-CG 3.24Å; S27-L31 WeakPolarHBondContact O-CG 3.37Å; S27-L31 PolarHBondContact O-N 3.07Å
28	L	63.7	Low	55	Low	98 Å²	98	109 Å²	109	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-66.9	-40.4	173	-91.2	164.9	0	0	0	112.3	F24 S25 V26 S32	F24-L28 HydrophobicContact CD1-CD1 3.78Å; F24-L28 HydrophobicContact CE1-CD1 3.66Å; F24-L28 HydrophobicContact CE1-CG 4.44Å; F24-L28 WeakPolarHBondContact O-CB 3.46Å; F24-L28 PolarHBondContact O-N 2.91Å; S25-L28 PolarHBondContact O-N 3.45Å; S25-L28 VanDerWaalsContact O-N 3.15Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 3.15Å; L28-S32 WeakPolarHBondContact O-CB 3.14Å; L28-S32 PolarHBondContact O-N 3.17Å
29	W	64.3	Low	55.1	Low	190 Å²	190	105.3 Å²	105.3	72%	0.72	57%	0.574	S	S	*	*	H	α-helix	trans	-65	-44.3	173.9	-86	93.3	0	0	0	111.9	S25 V26 S32 F33	S25-W29 PolarHBondContact O-N 3.06Å; V26-W29 PolarHBondContact O-N 3.41Å; W29-S32 PolarHBondContact O-N 2.9Å; W29-F33 VanDerWaalsContact O-CB 3.25Å; W29-F33 WeakPolarHBondContact O-CB 3.24Å; W29-F33 PolarHBondContact O-N 3.35Å
30	V	70.6	Confident	55.4	Low	84 Å²	84	103.9 Å²	103.9	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-64.2	-44.7	175.8	171	0	0	0	0	111.3	V26 F33 C34	V26-V30 HydrophobicContact CG1-CG2 4.34Å; V26-V30 WeakPolarHBondContact O-CG2 3.44Å; V26-V30 PolarHBondContact O-N 3.44Å; V30-F33 PolarHBondContact O-N 2.85Å; V30-C34 WeakPolarHBondContact O-CB 3.49Å; V30-C34 PolarHBondContact O-N 3.42Å; V30-C34 PolarHBondContact O-SG 3.4Å
31	L	68.8	Low	55.4	Low	115 Å²	115	110.3 Å²	110.3	60%	0.602	58%	0.583	S	S	*	*	H	α-helix	trans	-61.4	-45.5	175.5	-77.5	167.1	0	0	0	111.5	S27 C34 W35	S27-L31 VanDerWaalsContact O-CB 3.27Å; S27-L31 WeakPolarHBondContact O-CB 3.22Å; S27-L31 VanDerWaalsContact O-CG 3.24Å; S27-L31 WeakPolarHBondContact O-CG 3.37Å; S27-L31 PolarHBondContact O-N 3.07Å; L31-C34 PolarHBondContact O-N 2.85Å; L31-W35 WeakPolarHBondContact O-CB 3.3Å; L31-W35 PolarHBondContact O-N 2.83Å
32	S	66.8	Low	55.5	Low	67 Å²	67	107.6 Å²	107.6	47%	0.469	57%	0.574	S	S	.	*	H	α-helix	trans	-62.3	-42.6	176.2	-171	0	0	0	0	111.9	L28 W29 W35 C36	L28-S32 WeakPolarHBondContact O-CB 3.14Å; L28-S32 PolarHBondContact O-N 3.17Å; W29-S32 PolarHBondContact O-N 2.9Å; S32-W35 PolarHBondContact O-N 2.87Å; S32-C36 PolarHBondContact O-N 3.3Å; S32-C36 PolarHBondContact O-SG 3.2Å; S32-C36 VanDerWaalsContact O-SG 3.4Å
33	F	62	Low	55.8	Low	133 Å²	133	111.2 Å²	111.2	58%	0.583	58%	0.584	S	S	*	*	H	α-helix	trans	-66.4	-41	178.1	-155.8	-103.5	0	0	0	111.6	W29 V30 C36 F37	W29-F33 VanDerWaalsContact O-CB 3.25Å; W29-F33 WeakPolarHBondContact O-CB 3.24Å; W29-F33 PolarHBondContact O-N 3.35Å; V30-F33 PolarHBondContact O-N 2.85Å; F33-C36 PolarHBondContact O-N 2.85Å; F33-F37 AromaticContact CD1-CD2 3.9Å; F33-F37 HydrophobicContact CD1-CD2 3.9Å; F33-F37 AromaticContact CD1-CE2 3.98Å; F33-F37 HydrophobicContact CD1-CE2 3.98Å; F33-F37 AromaticContact CE1-CD2 3.79Å; F33-F37 HydrophobicContact CE1-CD2 3.79Å; F33-F37 AromaticContact CE1-CE2 3.37Å; F33-F37 HydrophobicContact CE1-CE2 3.37Å; F33-F37 HydrophobicContact CE1-CZ 4.31Å; F33-F37 HydrophobicContact CZ-CD2 4.38Å; F33-F37 AromaticContact CZ-CE2 3.74Å; F33-F37 HydrophobicContact CZ-CE2 3.74Å; F33-F37 WeakPolarHBondContact O-CB 3.34Å; F33-F37 PolarHBondContact O-N 2.84Å
34	C	59.7	Low	56.8	Low	75 Å²	75	111 Å²	111	51%	0.507	58%	0.583	S	S	.	*	H	α-helix	trans	-64.4	-36.7	171.3	-72.4	0	0	0	0	112.5	V30 L31 F37 A38	V30-C34 WeakPolarHBondContact O-CB 3.49Å; V30-C34 PolarHBondContact O-N 3.42Å; V30-C34 PolarHBondContact O-SG 3.4Å; L31-C34 PolarHBondContact O-N 2.85Å; C34-F37 PolarHBondContact O-N 2.88Å; C34-A38 WeakPolarHBondContact O-CB 3.27Å; C34-A38 PolarHBondContact O-N 3.38Å
35	W	53.8	Low	58.6	Low	217 Å²	217	110.8 Å²	110.8	82%	0.822	58%	0.579	S	S	*	*	H	α-helix	trans	-68.9	-40.5	175.2	-129.9	45.2	0	0	0	111.6	L31 S32 A38 A39	L31-W35 WeakPolarHBondContact O-CB 3.3Å; L31-W35 PolarHBondContact O-N 2.83Å; S32-W35 PolarHBondContact O-N 2.87Å; W35-A38 PolarHBondContact O-N 3.37Å; W35-A39 WeakPolarHBondContact O-CB 3.45Å; W35-A39 PolarHBondContact O-N 2.85Å
36	C	51.1	Low	60.4	Low	67 Å²	67	112.1 Å²	112.1	45%	0.453	58%	0.578	S	S	.	*	H	α-helix	trans	-63.4	-41.8	170.9	-71.5	0	0	0	0	112	S32 F33 A39 L40	S32-C36 PolarHBondContact O-N 3.3Å; S32-C36 PolarHBondContact O-SG 3.2Å; S32-C36 VanDerWaalsContact O-SG 3.4Å; F33-C36 PolarHBondContact O-N 2.85Å; C36-A39 PolarHBondContact O-N 3.39Å; C36-L40 VanDerWaalsContact O-CB 3.3Å; C36-L40 WeakPolarHBondContact O-CB 3.33Å; C36-L40 WeakPolarHBondContact O-CD1 3.42Å; C36-L40 VanDerWaalsContact O-CG 3.27Å; C36-L40 WeakPolarHBondContact O-CG 3.34Å; C36-L40 PolarHBondContact O-N 2.86Å
37	F	50.6	Low	62.3	Low	109 Å²	109	108.2 Å²	108.2	48%	0.478	56%	0.555	S	S	.	*	H	α-helix	trans	-66.2	-36.2	174.8	-100.5	-99.8	0	0	0	112.9	F33 C34 R41	F33-F37 AromaticContact CD1-CD2 3.9Å; F33-F37 HydrophobicContact CD1-CD2 3.9Å; F33-F37 AromaticContact CD1-CE2 3.98Å; F33-F37 HydrophobicContact CD1-CE2 3.98Å; F33-F37 AromaticContact CE1-CD2 3.79Å; F33-F37 HydrophobicContact CE1-CD2 3.79Å; F33-F37 AromaticContact CE1-CE2 3.37Å; F33-F37 HydrophobicContact CE1-CE2 3.37Å; F33-F37 HydrophobicContact CE1-CZ 4.31Å; F33-F37 HydrophobicContact CZ-CD2 4.38Å; F33-F37 AromaticContact CZ-CE2 3.74Å; F33-F37 HydrophobicContact CZ-CE2 3.74Å; F33-F37 WeakPolarHBondContact O-CB 3.34Å; F33-F37 PolarHBondContact O-N 2.84Å; C34-F37 PolarHBondContact O-N 2.88Å; F37-R41 WeakPolarHBondContact O-CB 3.24Å; F37-R41 WeakPolarHBondContact O-CG 3.27Å; F37-R41 PolarHBondContact O-N 2.87Å
38	A	50.7	Low	64.1	Low	60 Å²	60	108.4 Å²	108.4	50%	0.496	55%	0.553	S	S	.	*	H	α-helix	trans	-67.1	-43.8	173.1	0	0	0	0	0	111.6	C34 W35 R41 G42	C34-A38 WeakPolarHBondContact O-CB 3.27Å; C34-A38 PolarHBondContact O-N 3.38Å; W35-A38 PolarHBondContact O-N 3.37Å; A38-R41 PolarHBondContact O-N 2.92Å; A38-G42 PolarHBondContact O-N 2.94Å
39	A	45.3	Very low	65.7	Low	64 Å²	64	104.7 Å²	104.7	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-65.1	-38.5	176.1	0	0	0	0	0	112.6	W35 C36 R41 G42	W35-A39 WeakPolarHBondContact O-CB 3.45Å; W35-A39 PolarHBondContact O-N 2.85Å; C36-A39 PolarHBondContact O-N 3.39Å; A39-R41 VanDerWaalsContact C-N 3.35Å; A39-G42 PolarHBondContact O-N 3.43Å; A39-G42 VanDerWaalsContact O-N 3.17Å
40	L	45.8	Very low	67.3	Low	136 Å²	136	99.5 Å²	99.5	71%	0.712	52%	0.521	S	S	*	.	H	α-helix	trans	-69.7	-29	175.3	-77	165.4	0	0	0	112.9	C36 G42	C36-L40 VanDerWaalsContact O-CB 3.3Å; C36-L40 WeakPolarHBondContact O-CB 3.33Å; C36-L40 WeakPolarHBondContact O-CD1 3.42Å; C36-L40 VanDerWaalsContact O-CG 3.27Å; C36-L40 WeakPolarHBondContact O-CG 3.34Å; C36-L40 PolarHBondContact O-N 2.86Å; L40-G42 VanDerWaalsContact C-N 3.27Å
41	R	46.4	Very low	68.5	Low	221 Å²	221	95.6 Å²	95.6	83%	0.834	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.9	170.7	-78.1	-176.5	170.6	-163.9	-3.7	113.9	F37 A38 A39	F37-R41 WeakPolarHBondContact O-CB 3.24Å; F37-R41 WeakPolarHBondContact O-CG 3.27Å; F37-R41 PolarHBondContact O-N 2.87Å; A38-R41 PolarHBondContact O-N 2.92Å; A39-R41 VanDerWaalsContact C-N 3.35Å
42	G	46.1	Very low	69.9	Low	57 Å²	57	95.8 Å²	95.8	59%	0.588	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	4.4	-171.8	0	0	0	0	0	116.2	A38 A39 L40	A38-G42 PolarHBondContact O-N 2.94Å; A39-G42 PolarHBondContact O-N 3.43Å; A39-G42 VanDerWaalsContact O-N 3.17Å; L40-G42 VanDerWaalsContact C-N 3.27Å
43	Q	54.4	Low	71.4	Confident	175 Å²	175	94 Å²	94	82%	0.818	48%	0.478	S	S	*	.			trans	-96.3	111.7	174.6	-70	-155.6	-10.3	0	0	111.6	Y45	Q43-Y45 PolarHBondContact O-N 3.36Å
44	N	71	Confident	73.1	Confident	107 Å²	107	88.2 Å²	88.2	57%	0.572	46%	0.456	S	S	*	.			trans	-59.3	125.4	166.9	-66.6	-7.7	0	0	0	109.1	H46 V59	N44-H46 PolarHBondContact O-CD2 2.79Å; N44-H46 VanDerWaalsContact O-CD2 3.26Å; N44-V59 HydrophobicContact CB-CG2 4.2Å
45	Y	88.7	Confident	74.9	Confident	138 Å²	138	89.2 Å²	89.2	54%	0.541	45%	0.452	S	S	.	.			trans	-71.2	133.4	173.7	-180	-106.6	0	0	0	109.3	Q43 P47 R60	Q43-Y45 PolarHBondContact O-N 3.36Å; Y45-P47 HydrophobicContact CD1-CB 4.32Å; Y45-P47 HydrophobicContact CE1-CB 3.85Å; Y45-P47 VanDerWaalsContact O-CD 3.25Å; Y45-P47 WeakPolarHBondContact O-CD 3.39Å; Y45-R60 HydrophobicContact CD1-CB 4.12Å; Y45-R60 PolarHBondContact O-N 3.12Å
46	H	93.7	Very high	77	Confident	86 Å²	86	78.9 Å²	78.9	40%	0.398	41%	0.413	S	S	.	.			trans	-114.8	82.4	-175.1	-80.4	-61.8	0	0	0	110.1	N44 R57 G58	N44-H46 PolarHBondContact O-CD2 2.79Å; N44-H46 VanDerWaalsContact O-CD2 3.26Å; H46-R57 HydrophobicContact CB-CG 3.89Å; H46-G58 PolarHBondContact ND1-O 3.29Å
47	P	95.7	Very high	79.3	Confident	6 Å²	6	79.6 Å²	79.6	4%	0.039	41%	0.406	C	S	.	.			trans	-60.8	147.2	179.8	32.4	-41	0	0	0	110.2	Y45 R57 G58 D72 Y74	Y45-P47 HydrophobicContact CD1-CB 4.32Å; Y45-P47 HydrophobicContact CE1-CB 3.85Å; Y45-P47 VanDerWaalsContact O-CD 3.25Å; Y45-P47 WeakPolarHBondContact O-CD 3.39Å; P47-R57 CarbonylContact O-C 3.48Å; P47-R57 WeakPolarHBondContact O-CA 3.33Å; P47-G58 PolarHBondContact O-N 3.32Å; P47-D72 HydrophobicContact CG-CB 3.97Å; P47-Y74 WeakPolarHBondContact CB-OH 3.37Å
48	T	97.1	Very high	81.5	Confident	71 Å²	71	74.4 Å²	74.4	44%	0.436	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.6	-178.9	-59.4	0	0	0	0	110	K55 L56 I101	T48-K55 HydrophobicContact CG2-CB 4.48Å; T48-L56 CarbonylContact C-O 3.48Å; T48-L56 VanDerWaalsContact CA-O 3.26Å; T48-L56 WeakPolarHBondContact CA-O 3.15Å; T48-I101 HydrophobicContact CG2-CD1 4.39Å; T48-I101 HydrophobicContact CG2-CG2 4.39Å
49	V	97.3	Very high	83.8	Confident	21 Å²	21	72.3 Å²	72.3	13%	0.127	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.2	179.7	164.1	0	0	0	0	109.5	K55 L56 Y74 F239 F240	V49-K55 CarbonylContact O-C 3.58Å; V49-K55 WeakPolarHBondContact O-CA 3.42Å; V49-L56 PolarHBondContact N-O 3.03Å; V49-L56 PolarHBondContact O-N 2.86Å; V49-Y74 HydrophobicContact CB-CE1 4.19Å; V49-Y74 HydrophobicContact CG2-CE1 4.19Å; V49-Y74 VanDerWaalsContact CG2-OH 3.24Å; V49-Y74 WeakPolarHBondContact CG2-OH 3.33Å; V49-F239 HydrophobicContact CG1-CB 3.8Å; V49-F239 WeakPolarHBondContact CG1-O 3.45Å; V49-F240 HydrophobicContact CB-CD1 4.31Å; V49-F240 HydrophobicContact CB-CE1 4.06Å; V49-F240 HydrophobicContact CB-CZ 4.44Å; V49-F240 HydrophobicContact CG1-CD1 3.98Å; V49-F240 HydrophobicContact CG1-CD2 4.13Å; V49-F240 HydrophobicContact CG1-CE1 3.77Å; V49-F240 HydrophobicContact CG1-CE2 3.94Å; V49-F240 HydrophobicContact CG1-CG 4.16Å; V49-F240 HydrophobicContact CG1-CZ 3.77Å; V49-F240 HydrophobicContact CG2-CD1 4.11Å; V49-F240 HydrophobicContact CG2-CE1 4.31Å
50	N	97	Very high	86.2	Confident	80 Å²	80	73.2 Å²	73.2	43%	0.428	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.4	177.8	-174.3	103.3	0	0	0	109.7	K55 F239	N50-K55 HydrophobicContact CB-CG 4.14Å; N50-K55 WeakPolarHBondContact OD1-CE 3.35Å; N50-K55 VanDerWaalsContact OD1-CG 3.24Å; N50-K55 WeakPolarHBondContact OD1-CG 3.33Å; N50-F239 WeakPolarHBondContact O-CB 3.44Å; N50-F239 WeakPolarHBondContact O-CD1 3.41Å; N50-F239 WeakPolarHBondContact O-CD2 3.27Å; N50-F239 WeakPolarHBondContact O-CG 3.2Å
51	T	97.6	Very high	88.6	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.018	33%	0.332	C	S	.	.			trans	-87.8	177.7	174	72	0	0	0	0	110.8	Y53 G54 L56 W232 N236 F240	T51-Y53 PolarHBondContact O-N 3.24Å; T51-Y53 PolarHBondContact OG1-N 2.89Å; T51-G54 PolarHBondContact N-O 2.83Å; T51-G54 PolarHBondContact OG1-N 2.85Å; T51-G54 VanDerWaalsContact OG1-N 3.15Å; T51-G54 PolarHBondContact OG1-O 2.81Å; T51-L56 HydrophobicContact CG2-CD1 3.55Å; T51-L56 HydrophobicContact CG2-CG 4.23Å; T51-W232 HydrophobicContact CG2-CH2 4.26Å; T51-W232 HydrophobicContact CG2-CZ2 4.03Å; T51-N236 WeakPolarHBondContact CB-OD1 3.48Å; T51-F240 HydrophobicContact CG2-CE2 4.05Å; T51-F240 HydrophobicContact CG2-CZ 4.06Å
52	Q	97.3	Very high	90.8	Very high	119 Å²	119	63 Å²	63	56%	0.556	32%	0.324	S	S	*	.	S	Bend	trans	-61.7	-26.8	170.5	-58.7	-162	32.5	0	0	112.3	E235 N236 F239	Q52-E235 PolarHBondContact NE2-O 3.25Å; Q52-N236 WeakPolarHBondContact CG-OD1 3.07Å; Q52-N236 PolarHBondContact N-OD1 2.93Å; Q52-F239 HydrophobicContact CG-CE2 3.88Å; Q52-F239 HydrophobicContact CG-CZ 4.39Å
53	Y	97.9	Very high	93	Very high	29 Å²	29	61.3 Å²	61.3	11%	0.114	30%	0.301	C	S	.	.	S	Bend	trans	-93.2	-22.7	-174.9	-57.9	-80.3	0	0	0	114	T51 P94 P95 S97 W98 W232 E235	T51-Y53 PolarHBondContact O-N 3.24Å; T51-Y53 PolarHBondContact OG1-N 2.89Å; Y53-P94 HydrophobicContact CE1-CB 4.47Å; Y53-P95 HydrophobicContact CD1-CG 3.82Å; Y53-P95 WeakPolarHBondContact CD1-O 3.26Å; Y53-P95 HydrophobicContact CD2-CG 4.05Å; Y53-P95 HydrophobicContact CE1-CG 3.76Å; Y53-P95 VanDerWaalsContact CE1-O 3.27Å; Y53-P95 WeakPolarHBondContact CE1-O 3.44Å; Y53-P95 HydrophobicContact CE2-CG 3.98Å; Y53-P95 HydrophobicContact CG-CG 3.96Å; Y53-S97 CarbonylContact O-C 3.49Å; Y53-S97 WeakPolarHBondContact O-CA 3.31Å; Y53-S97 VanDerWaalsContact O-CB 3.3Å; Y53-S97 WeakPolarHBondContact O-CB 3.44Å; Y53-W98 PolarHBondContact O-N 3.47Å; Y53-W232 AromaticContact CD2-CD1 3.93Å; Y53-W232 AromaticContact CD2-NE1 3.45Å; Y53-W232 AromaticContact CE2-CD1 3.42Å; Y53-W232 VanDerWaalsContact CE2-CD1 3.42Å; Y53-W232 HydrophobicContact CE2-CG 4.49Å; Y53-W232 AromaticContact CE2-NE1 3.47Å; Y53-E235 PolarHBondContact OH-OE2 3.48Å
54	G	97.2	Very high	94.5	Very high	11 Å²	11	57.6 Å²	57.6	11%	0.113	29%	0.292	C	S	.	.			trans	158	-170.9	176.3	0	0	0	0	0	113.2	T51	T51-G54 PolarHBondContact N-O 2.83Å; T51-G54 PolarHBondContact OG1-N 2.85Å; T51-G54 VanDerWaalsContact OG1-N 3.15Å; T51-G54 PolarHBondContact OG1-O 2.81Å
55	K	98.4	Very high	94.9	Very high	96 Å²	96	54 Å²	54	42%	0.417	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.5	178.9	-63.8	178.8	-178.7	-177.3	0	111.7	T48 V49 N50 W98 I101 K102	T48-K55 HydrophobicContact CG2-CB 4.48Å; V49-K55 CarbonylContact O-C 3.58Å; V49-K55 WeakPolarHBondContact O-CA 3.42Å; N50-K55 HydrophobicContact CB-CG 4.14Å; N50-K55 WeakPolarHBondContact OD1-CE 3.35Å; N50-K55 VanDerWaalsContact OD1-CG 3.24Å; N50-K55 WeakPolarHBondContact OD1-CG 3.33Å; K55-W98 PolarHBondContact O-NE1 3.2Å; K55-I101 HydrophobicContact CB-CB 4.33Å; K55-I101 HydrophobicContact CB-CG1 3.92Å; K55-I101 HydrophobicContact CB-CG2 4.33Å; K55-I101 HydrophobicContact CD-CG1 4.35Å; K55-I101 WeakPolarHBondContact O-CA 3.38Å; K55-K102 PolarHBondContact O-N 3Å
56	L	98.4	Very high	94.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.7	175.6	-65.3	170.1	0	0	0	109.6	T48 V49 T51 Y74 V77 W98 K102 A104 F240	T48-L56 CarbonylContact C-O 3.48Å; T48-L56 VanDerWaalsContact CA-O 3.26Å; T48-L56 WeakPolarHBondContact CA-O 3.15Å; V49-L56 PolarHBondContact N-O 3.03Å; V49-L56 PolarHBondContact O-N 2.86Å; T51-L56 HydrophobicContact CG2-CD1 3.55Å; T51-L56 HydrophobicContact CG2-CG 4.23Å; L56-Y74 HydrophobicContact CB-CD1 4.25Å; L56-V77 HydrophobicContact CD1-CB 4.47Å; L56-V77 HydrophobicContact CD1-CG1 3.63Å; L56-V77 HydrophobicContact CD1-CG2 3.98Å; L56-V77 HydrophobicContact CD2-CG1 4.45Å; L56-W98 HydrophobicContact CD2-CH2 4.13Å; L56-W98 HydrophobicContact CD2-CZ2 3.51Å; L56-W98 HydrophobicContact CG-CZ2 3.91Å; L56-K102 CarbonylContact C-O 3.55Å; L56-K102 WeakPolarHBondContact CA-O 3.36Å; L56-K102 HydrophobicContact CD2-CB 4.26Å; L56-A104 HydrophobicContact CD2-CB 4.26Å; L56-F240 HydrophobicContact CD1-CZ 3.93Å
57	R	98.4	Very high	93.8	Very high	82 Å²	82	57.8 Å²	57.8	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.1	168.4	175.9	-173.6	-67.8	125.1	-5.4	109.7	H46 P47 I101 K102 N103 A104 T105	H46-R57 HydrophobicContact CB-CG 3.89Å; P47-R57 CarbonylContact O-C 3.48Å; P47-R57 WeakPolarHBondContact O-CA 3.33Å; R57-I101 HydrophobicContact CB-CG2 3.76Å; R57-K102 PolarHBondContact N-O 3.15Å; R57-N103 PolarHBondContact NH1-OD1 3.19Å; R57-A104 CarbonylContact O-C 3.54Å; R57-A104 PolarHBondContact O-N 2.83Å; R57-T105 WeakPolarHBondContact O-CG2 3.3Å
58	G	98.1	Very high	93.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.302	C	S	.	.			trans	-91.9	-163.2	172.7	0	0	0	0	0	113	H46 P47 Q73 T105	H46-G58 PolarHBondContact ND1-O 3.29Å; P47-G58 PolarHBondContact O-N 3.32Å; G58-Q73 CarbonylContact C-O 3.59Å; G58-Q73 WeakPolarHBondContact CA-O 3.38Å; G58-T105 WeakPolarHBondContact O-CG2 3.24Å
59	V	97.4	Very high	93.4	Very high	16 Å²	16	55 Å²	55	10%	0.097	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	134.7	174.5	58.2	0	0	0	0	110.2	N44 V61 Q73 T105	N44-V59 HydrophobicContact CB-CG2 4.2Å; V59-V61 HydrophobicContact CG1-CG2 4.17Å; V59-V61 HydrophobicContact CG2-CG2 4.47Å; V59-Q73 HydrophobicContact CG1-CB 4.28Å; V59-Q73 PolarHBondContact N-O 2.88Å; V59-Q73 PolarHBondContact O-N 2.89Å; V59-T105 HydrophobicContact CB-CG2 4.09Å; V59-T105 HydrophobicContact CG1-CG2 4.35Å
60	R	96.6	Very high	93.3	Very high	83 Å²	83	56.3 Å²	56.3	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.3	172.8	-169.7	163.4	-70.2	-157.5	-5.5	110	Y45 P70 V71 D72 T155	Y45-R60 HydrophobicContact CD1-CB 4.12Å; Y45-R60 PolarHBondContact O-N 3.12Å; R60-P70 HydrophobicContact CG-CB 4.07Å; R60-V71 WeakPolarHBondContact CA-O 3.47Å; R60-D72 WeakPolarHBondContact CA-OD1 3.35Å; R60-D72 WeakPolarHBondContact CB-OD1 3.25Å; R60-D72 WeakPolarHBondContact CG-OD1 3.35Å; R60-D72 IonicContact CZ-OD1 3.47Å; R60-D72 IonicContact CZ-OD2 3.58Å; R60-D72 IonicContact NE-OD1 2.73Å; R60-D72 PolarHBondContact NE-OD1 2.89Å; R60-D72 IonicContact NE-OD2 3.62Å; R60-D72 IonicContact NH2-OD1 3.39Å; R60-D72 PolarHBondContact NH2-OD1 2.95Å; R60-D72 IonicContact NH2-OD2 2.71Å; R60-D72 PolarHBondContact NH2-OD2 2.86Å; R60-T155 HydrophobicContact CG-CG2 4.45Å; R60-T155 VanDerWaalsContact CZ-CG2 3.43Å
61	V	95.1	Very high	93.3	Very high	43 Å²	43	52.5 Å²	52.5	26%	0.261	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.4	-177.9	-178.5	0	0	0	0	109.8	V59 P70 V71 Q73	V59-V61 HydrophobicContact CG1-CG2 4.17Å; V59-V61 HydrophobicContact CG2-CG2 4.47Å; V61-P70 WeakPolarHBondContact O-CA 3.26Å; V61-P70 WeakPolarHBondContact O-CB 3.34Å; V61-V71 PolarHBondContact N-O 2.73Å; V61-V71 PolarHBondContact O-N 2.71Å; V61-Q73 HydrophobicContact CG2-CG 4.1Å
62	P	93.9	Very high	93.3	Very high	101 Å²	101	53.1 Å²	53.1	66%	0.656	28%	0.275	S	S	*	.			trans	-76.7	138.2	169.3	32.4	-32.6	0	0	0	110.5
63	L	92.5	Very high	93.3	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.105	25%	0.253	C	S	.	.			trans	-83.5	151	174.7	-74	171	0	0	0	111.1	S65 L68 V71 V188	L63-S65 PolarHBondContact O-N 2.9Å; L63-L68 HydrophobicContact CB-CB 4.22Å; L63-L68 HydrophobicContact CD1-CB 3.83Å; L63-L68 HydrophobicContact CD1-CD1 4.17Å; L63-V71 HydrophobicContact CD1-CG2 4.19Å; L63-V188 HydrophobicContact CD2-CG2 4.08Å
64	P	85.9	Confident	93.4	Very high	97 Å²	97	47.3 Å²	47.3	63%	0.63	25%	0.249	S	C	*	.	S	Bend	trans	-79.2	51.9	178.3	34.3	-36	0	0	0	111.8	I501	P64-I501 HydrophobicContact CG-CB 3.85Å; P64-I501 HydrophobicContact CG-CG2 3.67Å
65	S	79.2	Confident	93.5	Very high	33 Å²	33	47.3 Å²	47.3	23%	0.231	25%	0.246	C	C	.	.	S	Bend	trans	-149.4	133.5	178.8	171.8	0	0	0	0	109.9	L63 I67	L63-S65 PolarHBondContact O-N 2.9Å; S65-I67 PolarHBondContact O-N 2.87Å; S65-I67 PolarHBondContact OG-N 3.39Å
66	E	76.9	Confident	93.5	Very high	205 Å²	205	43.1 Å²	43.1	96%	0.958	23%	0.23	S	C	*	.	S	Bend	trans	-72.5	-6.3	178.2	-59.9	-174.3	158.4	0	0	113.5
67	I	82.9	Confident	93.5	Very high	98 Å²	98	43.1 Å²	43.1	50%	0.503	23%	0.23	S	C	.	.	S	Bend	trans	-108.5	-20.6	-175.8	-48.1	174.4	0	0	0	112.1	S65 F545 I546	S65-I67 PolarHBondContact O-N 2.87Å; S65-I67 PolarHBondContact OG-N 3.39Å; I67-F545 HydrophobicContact CD1-CB 4.47Å; I67-I546 HydrophobicContact CB-CD1 4.33Å; I67-I546 HydrophobicContact CD1-CB 4.21Å; I67-I546 HydrophobicContact CG2-CB 4.23Å; I67-I546 HydrophobicContact CG2-CD1 3.97Å; I67-I546 HydrophobicContact CG2-CG1 4.46Å
68	L	91	Very high	93.5	Very high	14 Å²	14	39.7 Å²	39.7	7%	0.073	22%	0.218	C	C	.	.	S	Bend	trans	-98.7	120.5	-176	-68	171.3	0	0	0	110.9	L63 V188 Y192 M500 I546	L63-L68 HydrophobicContact CB-CB 4.22Å; L63-L68 HydrophobicContact CD1-CB 3.83Å; L63-L68 HydrophobicContact CD1-CD1 4.17Å; L68-V188 HydrophobicContact CD1-CG1 3.86Å; L68-Y192 HydrophobicContact CD2-CD2 4.42Å; L68-M500 HydrophobicContact CD1-CB 4.46Å; L68-M500 HydrophobicContact CD1-SD 4.44Å; L68-I546 HydrophobicContact CD2-CD1 3.77Å; L68-I546 HydrophobicContact CG-CD1 4.19Å
69	G	91.8	Very high	93.5	Very high	5 Å²	5	39.7 Å²	39.7	5%	0.052	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-60.6	153.7	173.9	0	0	0	0	0	113	E156 S191	G69-E156 VanDerWaalsContact CA-OE1 3.23Å; G69-E156 WeakPolarHBondContact CA-OE1 3.21Å; G69-E156 PolarHBondContact N-OE1 2.86Å; G69-S191 PolarHBondContact N-OG 2.99Å; G69-S191 PolarHBondContact O-OG 2.84Å
70	P	94.8	Very high	93.6	Very high	47 Å²	47	39 Å²	39	31%	0.305	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-65.6	162.3	178.9	23.9	-27.9	0	0	0	112.3	R60 V61 T155	R60-P70 HydrophobicContact CG-CB 4.07Å; V61-P70 WeakPolarHBondContact O-CA 3.26Å; V61-P70 WeakPolarHBondContact O-CB 3.34Å; P70-T155 WeakPolarHBondContact CG-OG1 3.34Å; P70-T155 WeakPolarHBondContact O-CB 3.44Å; P70-T155 VanDerWaalsContact O-CG2 3.23Å; P70-T155 WeakPolarHBondContact O-CG2 3.36Å; P70-T155 PolarHBondContact O-N 2.88Å; P70-T155 PolarHBondContact O-OG1 3.47Å
71	V	97.1	Very high	93.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.6	-176.6	176.4	0	0	0	0	109.8	R60 V61 L63 Q73 Y152 V153 S187	R60-V71 WeakPolarHBondContact CA-O 3.47Å; V61-V71 PolarHBondContact N-O 2.73Å; V61-V71 PolarHBondContact O-N 2.71Å; L63-V71 HydrophobicContact CD1-CG2 4.19Å; V71-Q73 HydrophobicContact CG1-CG 4.21Å; V71-Y152 HydrophobicContact CG1-CD1 4.47Å; V71-V153 CarbonylContact C-O 3.58Å; V71-V153 WeakPolarHBondContact CA-O 3.09Å; V71-V153 WeakPolarHBondContact CG1-O 3.4Å; V71-S187 WeakPolarHBondContact CG2-O 3.37Å
72	D	98	Very high	93.9	Very high	16 Å²	16	35.8 Å²	35.8	9%	0.086	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.2	168.2	-78	-21.6	0	0	0	109	P47 R60 Y74 V153 T155	P47-D72 HydrophobicContact CG-CB 3.97Å; R60-D72 WeakPolarHBondContact CA-OD1 3.35Å; R60-D72 WeakPolarHBondContact CB-OD1 3.25Å; R60-D72 WeakPolarHBondContact CG-OD1 3.35Å; R60-D72 IonicContact CZ-OD1 3.47Å; R60-D72 IonicContact CZ-OD2 3.58Å; R60-D72 IonicContact NE-OD1 2.73Å; R60-D72 PolarHBondContact NE-OD1 2.89Å; R60-D72 IonicContact NE-OD2 3.62Å; R60-D72 IonicContact NH2-OD1 3.39Å; R60-D72 PolarHBondContact NH2-OD1 2.95Å; R60-D72 IonicContact NH2-OD2 2.71Å; R60-D72 PolarHBondContact NH2-OD2 2.86Å; D72-Y74 HydrophobicContact CB-CE2 4.1Å; D72-V153 HydrophobicContact CB-CB 4.29Å; D72-V153 PolarHBondContact N-O 3.47Å; D72-V153 PolarHBondContact O-N 2.95Å; D72-T155 HydrophobicContact CB-CG2 4.24Å
73	Q	98.6	Very high	94	Very high	20 Å²	20	31.2 Å²	31.2	9%	0.093	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135.3	179.9	-64.6	-175.9	-9.7	0	0	111.3	G58 V59 V61 V71 L75 I151 Y152 S187	G58-Q73 CarbonylContact C-O 3.59Å; G58-Q73 WeakPolarHBondContact CA-O 3.38Å; V59-Q73 HydrophobicContact CG1-CB 4.28Å; V59-Q73 PolarHBondContact N-O 2.88Å; V59-Q73 PolarHBondContact O-N 2.89Å; V61-Q73 HydrophobicContact CG2-CG 4.1Å; V71-Q73 HydrophobicContact CG1-CG 4.21Å; Q73-L75 HydrophobicContact CB-CD2 4.2Å; Q73-L75 HydrophobicContact CB-CG 4.3Å; Q73-I151 CarbonylContact C-O 3.57Å; Q73-I151 WeakPolarHBondContact CA-O 3.36Å; Q73-Y152 HydrophobicContact CG-CD1 3.9Å; Q73-Y152 HydrophobicContact CG-CE1 4.13Å; Q73-S187 PolarHBondContact NE2-OG 2.92Å
74	Y	98.8	Very high	94.3	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.027	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	94.3	170.2	-57.8	-98.8	0	0	0	108.4	P47 V49 L56 D72 A104 N150 I151 V153 F240	P47-Y74 WeakPolarHBondContact CB-OH 3.37Å; V49-Y74 HydrophobicContact CB-CE1 4.19Å; V49-Y74 HydrophobicContact CG2-CE1 4.19Å; V49-Y74 VanDerWaalsContact CG2-OH 3.24Å; V49-Y74 WeakPolarHBondContact CG2-OH 3.33Å; L56-Y74 HydrophobicContact CB-CD1 4.25Å; D72-Y74 HydrophobicContact CB-CE2 4.1Å; Y74-A104 CarbonylContact C-O 3.59Å; Y74-A104 VanDerWaalsContact CA-O 3.32Å; Y74-A104 WeakPolarHBondContact CA-O 3.42Å; Y74-N150 CarbonylContact O-C 3.54Å; Y74-N150 WeakPolarHBondContact O-CA 3.45Å; Y74-I151 PolarHBondContact N-O 3.41Å; Y74-I151 PolarHBondContact O-N 3.2Å; Y74-V153 HydrophobicContact CD2-CG2 4.34Å; Y74-V153 HydrophobicContact CE2-CG2 4.14Å; Y74-F240 AromaticContact CD1-CE1 3.93Å; Y74-F240 HydrophobicContact CD1-CE1 3.93Å; Y74-F240 AromaticContact CD2-CD1 3.9Å; Y74-F240 HydrophobicContact CD2-CD1 3.9Å; Y74-F240 AromaticContact CD2-CE1 3.76Å; Y74-F240 HydrophobicContact CD2-CE1 3.76Å; Y74-F240 HydrophobicContact CE1-CE1 4.09Å; Y74-F240 AromaticContact CE2-CD1 3.81Å; Y74-F240 HydrophobicContact CE2-CD1 3.81Å; Y74-F240 AromaticContact CE2-CE1 3.95Å; Y74-F240 HydrophobicContact CE2-CE1 3.95Å; Y74-F240 HydrophobicContact CG-CD1 4.37Å; Y74-F240 AromaticContact CG-CE1 3.75Å; Y74-F240 HydrophobicContact CG-CE1 3.75Å
75	L	98.8	Very high	94.8	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.058	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.9	-174.5	-50	-178.2	0	0	0	110.4	Q73 A104 H106 F107 N150 Y152	Q73-L75 HydrophobicContact CB-CD2 4.2Å; Q73-L75 HydrophobicContact CB-CG 4.3Å; L75-A104 PolarHBondContact N-O 3.16Å; L75-A104 CarbonylContact O-C 3.53Å; L75-A104 WeakPolarHBondContact O-CA 3.4Å; L75-A104 VanDerWaalsContact O-CB 3.29Å; L75-A104 WeakPolarHBondContact O-CB 3.46Å; L75-H106 CarbonylContact C-O 3.31Å; L75-H106 VanDerWaalsContact C-O 3.3Å; L75-H106 VanDerWaalsContact CB-C 3.49Å; L75-H106 WeakPolarHBondContact CB-O 3.49Å; L75-F107 HydrophobicContact CB-CD1 4.23Å; L75-F107 HydrophobicContact CD1-CD1 4.32Å; L75-F107 HydrophobicContact CD1-CE1 4.16Å; L75-F107 HydrophobicContact CD1-CE2 4.48Å; L75-F107 HydrophobicContact CD1-CZ 4.25Å; L75-F107 HydrophobicContact CD2-CD1 4.42Å; L75-F107 HydrophobicContact CD2-CE1 3.92Å; L75-F107 HydrophobicContact CD2-CZ 4.48Å; L75-F107 HydrophobicContact CG-CE1 4.44Å; L75-N150 WeakPolarHBondContact CA-OD1 3.47Å; L75-N150 HydrophobicContact CD2-CB 3.86Å; L75-Y152 HydrophobicContact CD2-CE1 4.22Å
76	G	98.5	Very high	95.6	Very high	8 Å²	8	35.3 Å²	35.3	8%	0.082	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	39.3	178.2	0	0	0	0	0	114.3	Y148 L149 N150	G76-Y148 VanDerWaalsContact O-CD1 3.3Å; G76-Y148 WeakPolarHBondContact O-CD1 3.33Å; G76-L149 PolarHBondContact N-O 3.2Å; G76-N150 PolarHBondContact N-OD1 2.86Å
77	V	98.8	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121	176.5	-177.7	0	0	0	0	110.1	L56 Y79 A104 Y148 L149 W232	L56-V77 HydrophobicContact CD1-CB 4.47Å; L56-V77 HydrophobicContact CD1-CG1 3.63Å; L56-V77 HydrophobicContact CD1-CG2 3.98Å; L56-V77 HydrophobicContact CD2-CG1 4.45Å; V77-Y79 PolarHBondContact O-N 3.32Å; V77-A104 HydrophobicContact CG2-CB 3.94Å; V77-Y148 CarbonylContact O-C 3.5Å; V77-Y148 VanDerWaalsContact O-CA 3.31Å; V77-Y148 WeakPolarHBondContact O-CA 3.38Å; V77-L149 HydrophobicContact CB-CD1 3.98Å; V77-L149 WeakPolarHBondContact CB-O 3.35Å; V77-L149 HydrophobicContact CG1-CD1 4.34Å; V77-L149 PolarHBondContact N-O 2.84Å; V77-L149 PolarHBondContact O-N 3.26Å; V77-W232 HydrophobicContact CG1-CH2 3.65Å; V77-W232 HydrophobicContact CG1-CZ2 3.53Å
78	P	98.6	Very high	97.4	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.058	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126	-179.9	29.5	-34.3	0	0	0	110.8	P95 W98 Y148 W232	P78-P95 HydrophobicContact CB-CB 4.4Å; P78-W98 HydrophobicContact CG-CH2 4.12Å; P78-W98 HydrophobicContact CG-CZ3 3.8Å; P78-Y148 HydrophobicContact CB-CD1 4.02Å; P78-Y148 HydrophobicContact CB-CE1 3.69Å; P78-Y148 HydrophobicContact CG-CE1 4.32Å; P78-W232 PolarHBondContact O-NE1 2.88Å
79	Y	98.8	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.			trans	-106.4	-8.2	175.8	69.9	-103.2	0	0	0	113.6	V77 P95 L147 L149 N201 D225 Q228 A229	V77-Y79 PolarHBondContact O-N 3.32Å; Y79-P95 WeakPolarHBondContact O-CD 3.45Å; Y79-L147 WeakPolarHBondContact CD1-O 3.31Å; Y79-L147 HydrophobicContact CE1-CB 4.22Å; Y79-L147 HydrophobicContact CE2-CB 4.15Å; Y79-L147 PolarHBondContact N-O 2.8Å; Y79-L149 HydrophobicContact CD1-CB 4Å; Y79-L149 HydrophobicContact CD1-CD2 3.87Å; Y79-L149 HydrophobicContact CD1-CG 3.97Å; Y79-L149 HydrophobicContact CG-CD2 4.06Å; Y79-N201 WeakPolarHBondContact CE1-O 3.26Å; Y79-N201 PolarHBondContact OH-O 3.24Å; Y79-D225 WeakPolarHBondContact CE2-O 3.3Å; Y79-Q228 HydrophobicContact CD2-CG 4.2Å; Y79-Q228 PolarHBondContact O-NE2 3.42Å; Y79-A229 HydrophobicContact CD1-CB 4.08Å; Y79-A229 VanDerWaalsContact CD2-CA 3.5Å; Y79-A229 HydrophobicContact CD2-CB 3.67Å; Y79-A229 HydrophobicContact CE1-CB 4.12Å; Y79-A229 HydrophobicContact CE2-CB 3.76Å; Y79-A229 HydrophobicContact CG-CB 3.86Å
80	A	98.8	Very high	98	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.025	16%	0.156	C	C	.	.	S	Bend	trans	-146.9	169.9	177.6	0	0	0	0	0	111	P92 E93 L147 Q228	A80-P92 HydrophobicContact CB-CB 4.01Å; A80-E93 CarbonylContact C-O 3.6Å; A80-E93 WeakPolarHBondContact CA-O 3.49Å; A80-E93 WeakPolarHBondContact CB-O 3.4Å; A80-L147 HydrophobicContact CB-CB 3.9Å; A80-L147 HydrophobicContact CB-CD1 3.62Å; A80-L147 HydrophobicContact CB-CG 4.42Å; A80-Q228 HydrophobicContact CB-CG 3.95Å
81	A	98.6	Very high	98.2	Very high	7 Å²	7	28.7 Å²	28.7	6%	0.058	16%	0.164	C	C	.	.			trans	-77	151.1	169.4	0	0	0	0	0	111.4	E93	A81-E93 HydrophobicContact CB-CB 4.2Å; A81-E93 PolarHBondContact N-O 2.82Å
82	P	98.5	Very high	98.3	Very high	50 Å²	50	29.7 Å²	29.7	33%	0.325	17%	0.17	S	C	.	.			trans	-56.8	124.9	179.8	-25.2	33.4	0	0	0	112.7	V84 D145	P82-V84 HydrophobicContact CB-CG1 4.2Å; P82-V84 HydrophobicContact CB-CG2 4.13Å; P82-V84 PolarHBondContact O-N 3.17Å; P82-D145 HydrophobicContact CB-CB 3.9Å; P82-D145 HydrophobicContact CG-CB 4.25Å; P82-D145 WeakPolarHBondContact CG-OD1 3.49Å
83	P	98.1	Very high	98.3	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.039	19%	0.188	C	C	.	.			trans	-81.5	44.6	-176	34.7	-38	0	0	0	112.8	K87 R88 E144 L147 R203	P83-K87 CarbonylContact O-C 3.57Å; P83-R88 WeakPolarHBondContact O-CA 3.26Å; P83-R88 PolarHBondContact O-N 2.75Å; P83-E144 VanDerWaalsContact CD-O 3.28Å; P83-E144 WeakPolarHBondContact CD-O 3.49Å; P83-E144 VanDerWaalsContact CG-O 3.29Å; P83-E144 WeakPolarHBondContact CG-O 3.18Å; P83-L147 HydrophobicContact CB-CD1 4.22Å; P83-L147 HydrophobicContact CG-CD1 3.84Å; P83-L147 HydrophobicContact CG-CD2 4.47Å; P83-L147 HydrophobicContact CG-CG 3.96Å; P83-R203 HydrophobicContact CG-CG 4.28Å
84	V	97.9	Very high	98.3	Very high	63 Å²	63	36.2 Å²	36.2	38%	0.382	21%	0.206	S	C	.	.			trans	-98.8	153.7	-171.8	-60.2	0	0	0	0	113.1	P82 E86 K87 E144	P82-V84 HydrophobicContact CB-CG1 4.2Å; P82-V84 HydrophobicContact CB-CG2 4.13Å; P82-V84 PolarHBondContact O-N 3.17Å; V84-E86 PolarHBondContact O-N 3.3Å; V84-K87 WeakPolarHBondContact O-CB 3.33Å; V84-K87 PolarHBondContact O-N 3.04Å; V84-K87 VanDerWaalsContact O-N 3.14Å; V84-E144 HydrophobicContact CG1-CB 3.72Å
85	G	96.1	Very high	98.2	Very high	35 Å²	35	36.2 Å²	36.2	36%	0.361	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	61.6	-125.2	178.3	0	0	0	0	0	111.7	K87 R88	G85-K87 PolarHBondContact O-N 2.87Å; G85-K87 VanDerWaalsContact O-N 3.11Å; G85-R88 VanDerWaalsContact O-CB 3.28Å; G85-R88 WeakPolarHBondContact O-CB 3.46Å; G85-R88 PolarHBondContact O-N 3.43Å
86	E	96.8	Very high	98.1	Very high	137 Å²	137	40.4 Å²	40.4	64%	0.64	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-60.3	-19.8	177.5	-50.5	-47.2	133.6	0	0	113.7	V84 R88 M90	V84-E86 PolarHBondContact O-N 3.3Å; E86-R88 VanDerWaalsContact C-N 3.31Å; E86-M90 VanDerWaalsContact O-CG 3.27Å; E86-M90 WeakPolarHBondContact O-CG 3.12Å
87	K	97.9	Very high	98	Very high	61 Å²	61	44.2 Å²	44.2	27%	0.265	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-81.4	-7.1	174.4	-61.3	-172.7	173.1	-163.2	0	113.6	P83 V84 G85 M90 E93	P83-K87 CarbonylContact O-C 3.57Å; V84-K87 WeakPolarHBondContact O-CB 3.33Å; V84-K87 PolarHBondContact O-N 3.04Å; V84-K87 VanDerWaalsContact O-N 3.14Å; G85-K87 PolarHBondContact O-N 2.87Å; G85-K87 VanDerWaalsContact O-N 3.11Å; K87-M90 WeakPolarHBondContact O-CB 3.27Å; K87-M90 PolarHBondContact O-N 3.42Å; K87-E93 WeakPolarHBondContact CE-OE1 3.27Å; K87-E93 IonicContact NZ-OE1 3.7Å; K87-E93 PolarHBondContact NZ-OE1 2.96Å; K87-E93 IonicContact NZ-OE2 3.75Å; K87-E93 PolarHBondContact NZ-OE2 3.39Å
88	R	98.6	Very high	97.9	Very high	13 Å²	13	46.6 Å²	46.6	5%	0.049	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	135.7	171	-164.5	-166.2	-70	158.8	-0.5	109	P83 G85 E86 M90 E144 L207 L317 R318 K320	P83-R88 WeakPolarHBondContact O-CA 3.26Å; P83-R88 PolarHBondContact O-N 2.75Å; G85-R88 VanDerWaalsContact O-CB 3.28Å; G85-R88 WeakPolarHBondContact O-CB 3.46Å; G85-R88 PolarHBondContact O-N 3.43Å; E86-R88 VanDerWaalsContact C-N 3.31Å; R88-M90 VanDerWaalsContact C-N 3.25Å; R88-M90 PolarHBondContact O-N 3.28Å; R88-E144 IonicContact CZ-OE1 3.06Å; R88-E144 IonicContact CZ-OE2 2.73Å; R88-E144 VanDerWaalsContact CZ-OE2 3.23Å; R88-E144 IonicContact NE-OE2 3.44Å; R88-E144 PolarHBondContact NE-OE2 2.79Å; R88-E144 IonicContact NH2-OE1 3.12Å; R88-E144 PolarHBondContact NH2-OE1 3.04Å; R88-E144 IonicContact NH2-OE2 3.77Å; R88-E144 PolarHBondContact NH2-OE2 2.64Å; R88-L207 HydrophobicContact CG-CD2 4.01Å; R88-L317 PolarHBondContact NH1-O 2.96Å; R88-R318 PolarHBondContact NH1-O 3.26Å; R88-R318 VanDerWaalsContact NH1-O 3.09Å; R88-R318 PolarHBondContact O-NE 2.81Å; R88-K320 PolarHBondContact NH1-O 3.04Å; R88-K320 PolarHBondContact NH2-O 2.97Å
89	F	98.5	Very high	97.8	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	33	-172	-39.5	-60.7	0	0	0	113.7	V206 L207 L210 Y221 V314 L317 R318 L325	F89-V206 HydrophobicContact CE1-CG1 4.22Å; F89-V206 WeakPolarHBondContact CE1-O 3.38Å; F89-V206 HydrophobicContact CZ-CG1 4.42Å; F89-L207 HydrophobicContact CE1-CD2 4.4Å; F89-L210 HydrophobicContact CD1-CB 4.02Å; F89-L210 HydrophobicContact CD1-CD2 4.21Å; F89-L210 HydrophobicContact CE1-CB 3.9Å; F89-L210 HydrophobicContact CE1-CD1 4.16Å; F89-L210 HydrophobicContact CE1-CD2 4.38Å; F89-L210 HydrophobicContact CE1-CG 4.37Å; F89-L210 HydrophobicContact CG-CD2 4.42Å; F89-L210 HydrophobicContact CZ-CD1 4.25Å; F89-Y221 VanDerWaalsContact C-CZ 3.41Å; F89-Y221 HydrophobicContact CB-CE2 3.84Å; F89-Y221 HydrophobicContact CD1-CE2 4.19Å; F89-Y221 WeakPolarHBondContact O-CE1 3.35Å; F89-Y221 PolarHBondContact O-OH 3.04Å; F89-V314 HydrophobicContact CB-CG1 4.42Å; F89-V314 HydrophobicContact CD2-CG1 4.01Å; F89-L317 HydrophobicContact CE2-CB 3.85Å; F89-L317 HydrophobicContact CZ-CB 4.36Å; F89-R318 HydrophobicContact CD2-CG 3.98Å; F89-R318 HydrophobicContact CE2-CG 4.34Å; F89-L325 HydrophobicContact CZ-CD1 4.12Å
90	M	98.4	Very high	97.7	Very high	84 Å²	84	54.5 Å²	54.5	41%	0.414	34%	0.336	S	S	.	.	S	Bend	trans	-124.3	157.9	171.1	-61	-61.6	-71.6	0	0	110.7	E86 K87 R88 R203 R318	E86-M90 VanDerWaalsContact O-CG 3.27Å; E86-M90 WeakPolarHBondContact O-CG 3.12Å; K87-M90 WeakPolarHBondContact O-CB 3.27Å; K87-M90 PolarHBondContact O-N 3.42Å; R88-M90 VanDerWaalsContact C-N 3.25Å; R88-M90 PolarHBondContact O-N 3.28Å; M90-R203 PolarHBondContact O-NH1 2.95Å; M90-R203 PolarHBondContact O-NH2 2.6Å; M90-R203 VanDerWaalsContact O-NH2 3.09Å; M90-R318 PolarHBondContact SD-NH2 3.4Å
91	P	98.7	Very high	97.6	Very high	72 Å²	72	57.9 Å²	57.9	47%	0.468	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-52.2	148.5	166	-25	34.9	0	0	0	111.9	L224	P91-L224 HydrophobicContact CB-CD1 4.08Å; P91-L224 HydrophobicContact CG-CD1 4.06Å
92	P	98.6	Very high	97.6	Very high	21 Å²	21	60.8 Å²	60.8	14%	0.136	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-67.9	147.3	174.6	31.7	-35.3	0	0	0	111.1	A80 L147 L224 D225 Q228	A80-P92 HydrophobicContact CB-CB 4.01Å; P92-L147 HydrophobicContact CB-CD1 4.09Å; P92-L224 HydrophobicContact CG-CB 4.33Å; P92-L224 WeakPolarHBondContact CG-O 3.17Å; P92-D225 WeakPolarHBondContact CB-OD1 3.41Å; P92-Q228 HydrophobicContact CB-CB 4.25Å; P92-Q228 HydrophobicContact CB-CG 4.18Å; P92-Q228 HydrophobicContact CG-CB 3.61Å; P92-Q228 HydrophobicContact CG-CG 4.04Å
93	E	98.3	Very high	97.6	Very high	99 Å²	99	62.8 Å²	62.8	46%	0.463	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-100.6	156	168.1	-76.8	172.4	-135.6	0	0	110.3	A80 A81 K87	A80-E93 CarbonylContact C-O 3.6Å; A80-E93 WeakPolarHBondContact CA-O 3.49Å; A80-E93 WeakPolarHBondContact CB-O 3.4Å; A81-E93 HydrophobicContact CB-CB 4.2Å; A81-E93 PolarHBondContact N-O 2.82Å; K87-E93 WeakPolarHBondContact CE-OE1 3.27Å; K87-E93 IonicContact NZ-OE1 3.7Å; K87-E93 PolarHBondContact NZ-OE1 2.96Å; K87-E93 IonicContact NZ-OE2 3.75Å; K87-E93 PolarHBondContact NZ-OE2 3.39Å
94	P	97.8	Very high	97.6	Very high	73 Å²	73	62.5 Å²	62.5	47%	0.474	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-55.4	152.5	170.5	-26.4	35.8	0	0	0	113.4	Y53	Y53-P94 HydrophobicContact CE1-CB 4.47Å
95	P	97.4	Very high	97.6	Very high	8 Å²	8	60.8 Å²	60.8	5%	0.052	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-73.2	145.1	-176.1	29.1	-30.5	0	0	0	111.4	Y53 P78 Y79 S97	Y53-P95 HydrophobicContact CD1-CG 3.82Å; Y53-P95 WeakPolarHBondContact CD1-O 3.26Å; Y53-P95 HydrophobicContact CD2-CG 4.05Å; Y53-P95 HydrophobicContact CE1-CG 3.76Å; Y53-P95 VanDerWaalsContact CE1-O 3.27Å; Y53-P95 WeakPolarHBondContact CE1-O 3.44Å; Y53-P95 HydrophobicContact CE2-CG 3.98Å; Y53-P95 HydrophobicContact CG-CG 3.96Å; P78-P95 HydrophobicContact CB-CB 4.4Å; Y79-P95 WeakPolarHBondContact O-CD 3.45Å; P95-S97 PolarHBondContact O-N 2.96Å
96	S	96.2	Very high	97.6	Very high	98 Å²	98	66 Å²	66	69%	0.685	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-65.3	130.1	173.5	-59.1	0	0	0	0	111.4
97	S	97.3	Very high	97.7	Very high	89 Å²	89	63.5 Å²	63.5	62%	0.622	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-60	147.4	172.6	-49.5	0	0	0	0	112.3	Y53 P95	Y53-S97 CarbonylContact O-C 3.49Å; Y53-S97 WeakPolarHBondContact O-CA 3.31Å; Y53-S97 VanDerWaalsContact O-CB 3.3Å; Y53-S97 WeakPolarHBondContact O-CB 3.44Å; P95-S97 PolarHBondContact O-N 2.96Å
98	W	96.8	Very high	97.7	Very high	49 Å²	49	61.3 Å²	61.3	19%	0.186	36%	0.356	C	S	.	.			trans	-125.2	146.9	-179.2	59.7	86.7	0	0	0	113.1	Y53 K55 L56 P78 K102	Y53-W98 PolarHBondContact O-N 3.47Å; K55-W98 PolarHBondContact O-NE1 3.2Å; L56-W98 HydrophobicContact CD2-CH2 4.13Å; L56-W98 HydrophobicContact CD2-CZ2 3.51Å; L56-W98 HydrophobicContact CG-CZ2 3.91Å; P78-W98 HydrophobicContact CG-CH2 4.12Å; P78-W98 HydrophobicContact CG-CZ3 3.8Å; W98-K102 HydrophobicContact CG-CB 4.47Å
99	S	95.7	Very high	97.7	Very high	119 Å²	119	62.3 Å²	62.3	83%	0.832	36%	0.363	S	S	*	.	S	Bend	trans	-86	155.8	172.2	61.1	0	0	0	0	111.6
100	G	96.5	Very high	97.7	Very high	56 Å²	56	62.3 Å²	62.3	58%	0.577	36%	0.364	S	S	*	.	S	Bend	trans	77.3	-138.4	-179.3	0	0	0	0	0	113.2
101	I	97.9	Very high	97.7	Very high	74 Å²	74	58.5 Å²	58.5	38%	0.379	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.9	-179.5	-55.3	172	0	0	0	108	T48 K55 R57	T48-I101 HydrophobicContact CG2-CD1 4.39Å; T48-I101 HydrophobicContact CG2-CG2 4.39Å; K55-I101 HydrophobicContact CB-CB 4.33Å; K55-I101 HydrophobicContact CB-CG1 3.92Å; K55-I101 HydrophobicContact CB-CG2 4.33Å; K55-I101 HydrophobicContact CD-CG1 4.35Å; K55-I101 WeakPolarHBondContact O-CA 3.38Å; R57-I101 HydrophobicContact CB-CG2 3.76Å
102	K	97.9	Very high	97.7	Very high	69 Å²	69	55.5 Å²	55.5	30%	0.3	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.2	171.6	-178.3	170.9	-179.9	174.6	0	108.9	K55 L56 R57 W98	K55-K102 PolarHBondContact O-N 3Å; L56-K102 CarbonylContact C-O 3.55Å; L56-K102 WeakPolarHBondContact CA-O 3.36Å; L56-K102 HydrophobicContact CD2-CB 4.26Å; R57-K102 PolarHBondContact N-O 3.15Å; W98-K102 HydrophobicContact CG-CB 4.47Å
103	N	98.1	Very high	97.5	Very high	91 Å²	91	54.8 Å²	54.8	49%	0.487	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.6	171.6	-68.1	-25.1	0	0	0	109.1	R57	R57-N103 PolarHBondContact NH1-OD1 3.19Å
104	A	98.3	Very high	97.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	31%	0.306	C	S	.	.			trans	-129.5	59.5	175.9	0	0	0	0	0	108.4	L56 R57 Y74 L75 V77	L56-A104 HydrophobicContact CD2-CB 4.26Å; R57-A104 CarbonylContact O-C 3.54Å; R57-A104 PolarHBondContact O-N 2.83Å; Y74-A104 CarbonylContact C-O 3.59Å; Y74-A104 VanDerWaalsContact CA-O 3.32Å; Y74-A104 WeakPolarHBondContact CA-O 3.42Å; L75-A104 PolarHBondContact N-O 3.16Å; L75-A104 CarbonylContact O-C 3.53Å; L75-A104 WeakPolarHBondContact O-CA 3.4Å; L75-A104 VanDerWaalsContact O-CB 3.29Å; L75-A104 WeakPolarHBondContact O-CB 3.46Å; V77-A104 HydrophobicContact CG2-CB 3.94Å
105	T	97.6	Very high	96.3	Very high	27 Å²	27	48.6 Å²	48.6	17%	0.166	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-119.1	-0.7	-169.5	53	0	0	0	0	114	R57 G58 V59	R57-T105 WeakPolarHBondContact O-CG2 3.3Å; G58-T105 WeakPolarHBondContact O-CG2 3.24Å; V59-T105 HydrophobicContact CB-CG2 4.09Å; V59-T105 HydrophobicContact CG1-CG2 4.35Å
106	H	97.1	Very high	94.9	Very high	145 Å²	145	55.5 Å²	55.5	67%	0.671	32%	0.318	S	S	*	.	S	Bend	trans	-144.8	153.5	-179.7	-58.4	75.1	0	0	0	107.2	L75	L75-H106 CarbonylContact C-O 3.31Å; L75-H106 VanDerWaalsContact C-O 3.3Å; L75-H106 VanDerWaalsContact CB-C 3.49Å; L75-H106 WeakPolarHBondContact CB-O 3.49Å
107	F	98.5	Very high	93.3	Very high	84 Å²	84	53.8 Å²	53.8	37%	0.368	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-60.5	150	172.2	-64.2	-62.9	0	0	0	111.5	L75 N150 N182	L75-F107 HydrophobicContact CB-CD1 4.23Å; L75-F107 HydrophobicContact CD1-CD1 4.32Å; L75-F107 HydrophobicContact CD1-CE1 4.16Å; L75-F107 HydrophobicContact CD1-CE2 4.48Å; L75-F107 HydrophobicContact CD1-CZ 4.25Å; L75-F107 HydrophobicContact CD2-CD1 4.42Å; L75-F107 HydrophobicContact CD2-CE1 3.92Å; L75-F107 HydrophobicContact CD2-CZ 4.48Å; L75-F107 HydrophobicContact CG-CE1 4.44Å; F107-N150 WeakPolarHBondContact CD1-OD1 3.46Å; F107-N150 HydrophobicContact CE1-CB 4.43Å; F107-N182 HydrophobicContact CD1-CB 3.79Å; F107-N182 VanDerWaalsContact CD1-CG 3.47Å; F107-N182 VanDerWaalsContact CD1-OD1 3.32Å; F107-N182 WeakPolarHBondContact CD1-OD1 3.32Å; F107-N182 HydrophobicContact CD2-CB 4.26Å; F107-N182 HydrophobicContact CE1-CB 3.96Å; F107-N182 HydrophobicContact CE2-CB 4.4Å; F107-N182 HydrophobicContact CG-CB 3.95Å; F107-N182 HydrophobicContact CZ-CB 4.26Å; F107-N182 WeakPolarHBondContact CZ-O 3.45Å
108	A	98.2	Very high	91.5	Very high	15 Å²	15	53.1 Å²	53.1	12%	0.124	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-88.8	163.4	167.5	0	0	0	0	0	110.3	Y148 N182	A108-Y148 HydrophobicContact CB-CD1 3.76Å; A108-Y148 HydrophobicContact CB-CD2 3.42Å; A108-Y148 VanDerWaalsContact CB-CD2 3.42Å; A108-Y148 HydrophobicContact CB-CE1 4.18Å; A108-Y148 HydrophobicContact CB-CE2 3.91Å; A108-Y148 HydrophobicContact CB-CG 3.37Å; A108-N182 PolarHBondContact O-ND2 3Å
109	P	98.4	Very high	89.9	Confident	33 Å²	33	51.9 Å²	51.9	21%	0.214	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-53.2	145.8	176.9	-26	34.4	0	0	0	112.7	D141 H143	P109-D141 WeakPolarHBondContact CA-O 3.4Å; P109-H143 HydrophobicContact CB-CB 3.78Å; P109-H143 HydrophobicContact CG-CB 4.28Å
110	V	98.3	Very high	89	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-82.3	162.9	176.9	-53	0	0	0	0	111.1	Y138 I139 D141 Q142 H143 T180	V110-Y138 WeakPolarHBondContact CG1-O 3.39Å; V110-I139 HydrophobicContact CG2-CB 3.94Å; V110-I139 HydrophobicContact CG2-CG2 4.18Å; V110-D141 PolarHBondContact N-O 2.89Å; V110-Q142 HydrophobicContact CG2-CB 4.45Å; V110-Q142 HydrophobicContact CG2-CG 3.84Å; V110-Q142 WeakPolarHBondContact O-CA 3.23Å; V110-H143 PolarHBondContact O-N 2.85Å; V110-T180 HydrophobicContact CG1-CG2 3.94Å; V110-T180 WeakPolarHBondContact CG1-OG1 3.43Å
111	C	98.4	Very high	88.2	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.027	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-67.7	144.9	175.5	-60.6	0	0	0	0	111.3	Q113 C146 Y202 V204	C111-Q113 WeakPolarHBondContact O-CG 3.23Å; C111-Q113 PolarHBondContact O-N 2.99Å; C111-Q113 PolarHBondContact O-NE2 3.44Å; C111-C146 VanDerWaalsContact CA-CB 3.48Å; C111-C146 WeakPolarHBondContact CA-SG 3.44Å; C111-C146 HydrophobicContact CB-CB 3.81Å; C111-C146 WeakPolarHBondContact CB-SG 3.37Å; C111-C146 WeakPolarHBondContact SG-CB 3.35Å; C111-C146 CovalentContact SG-SG 2.03Å; C111-C146 PolarHBondContact SG-SG 3.44Å; C111-Y202 VanDerWaalsContact SG-C 3.55Å; C111-Y202 PolarHBondContact SG-O 3.41Å; C111-V204 HydrophobicContact CB-CG2 3.96Å
112	P	97.8	Very high	87.6	Confident	9 Å²	9	48 Å²	48	6%	0.058	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-62.1	126.5	-173.3	-23.9	35.5	0	0	0	112.9	H143 E144 L207 V326	P112-H143 WeakPolarHBondContact CD-O 3.16Å; P112-E144 HydrophobicContact CG-CG 3.99Å; P112-L207 HydrophobicContact CB-CD1 3.89Å; P112-L207 HydrophobicContact CG-CD1 3.73Å; P112-V326 HydrophobicContact CB-CG2 4.28Å
113	Q	94.7	Very high	87	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.023	24%	0.243	C	C	.	.			trans	-155.5	152.2	-170.7	61.4	-168.4	-94.2	0	0	111.5	C111 I139 Q142 E178 G179 V204	C111-Q113 WeakPolarHBondContact O-CG 3.23Å; C111-Q113 PolarHBondContact O-N 2.99Å; C111-Q113 PolarHBondContact O-NE2 3.44Å; Q113-I139 HydrophobicContact CG-CB 4.44Å; Q113-I139 HydrophobicContact CG-CD1 4.12Å; Q113-Q142 PolarHBondContact O-NE2 2.83Å; Q113-Q142 PolarHBondContact O-OE1 2.85Å; Q113-Q142 VanDerWaalsContact O-OE1 3.12Å; Q113-E178 HydrophobicContact CB-CB 4.18Å; Q113-G179 PolarHBondContact NE2-O 2.78Å; Q113-G179 PolarHBondContact OE1-O 3.01Å; Q113-V204 HydrophobicContact CB-CG2 4.08Å
114	N	89.3	Confident	86.6	Confident	30 Å²	30	40.9 Å²	40.9	16%	0.16	22%	0.22	C	C	.	.			trans	-133.9	109.7	-178.1	177.7	20.3	0	0	0	112.1	H116 N117 V326	N114-H116 WeakPolarHBondContact OD1-CB 3.36Å; N114-H116 PolarHBondContact OD1-N 3.19Å; N114-N117 PolarHBondContact ND2-ND2 2.84Å; N114-N117 PolarHBondContact ND2-OD1 3.49Å; N114-V326 HydrophobicContact CB-CG1 4Å
115	I	82.9	Confident	86.3	Confident	13 Å²	13	41.2 Å²	41.2	7%	0.067	22%	0.222	C	C	.	.	S	Bend	trans	-96	4.7	177.1	67.2	172.6	0	0	0	113.8	V119 F128 L132 V135 I139 E178	I115-V119 HydrophobicContact CB-CG2 4.08Å; I115-F128 HydrophobicContact CG2-CE1 4.49Å; I115-F128 HydrophobicContact CG2-CZ 4.41Å; I115-L132 HydrophobicContact CD1-CD2 4.24Å; I115-V135 HydrophobicContact CD1-CG1 3.84Å; I115-I139 HydrophobicContact CB-CD1 4.47Å; I115-I139 HydrophobicContact CD1-CD1 3.66Å; I115-I139 HydrophobicContact CG1-CD1 3.84Å; I115-I139 HydrophobicContact CG2-CD1 3.86Å; I115-E178 HydrophobicContact CG2-CB 3.85Å; I115-E178 HydrophobicContact CG2-CG 3.93Å
116	H	68.1	Low	86	Confident	152 Å²	152	40.1 Å²	40.1	70%	0.704	22%	0.215	S	C	*	.	S	Bend	trans	-90.3	-14.6	177.4	-55.4	-49.5	0	0	0	113.1	N114	N114-H116 WeakPolarHBondContact OD1-CB 3.36Å; N114-H116 PolarHBondContact OD1-N 3.19Å
117	N	62	Low	85.6	Confident	63 Å²	63	34.7 Å²	34.7	34%	0.337	19%	0.189	S	C	.	.	S	Bend	trans	-79.9	174.5	164.9	-69.5	3.9	0	0	0	109.4	N114 V119 E327	N114-N117 PolarHBondContact ND2-ND2 2.84Å; N114-N117 PolarHBondContact ND2-OD1 3.49Å; N117-V119 PolarHBondContact O-N 3.48Å; N117-E327 PolarHBondContact ND2-O 2.94Å; N117-E327 VanDerWaalsContact ND2-O 3.11Å
118	A	59.8	Low	85.3	Confident	74 Å²	74	30.9 Å²	30.9	61%	0.612	17%	0.172	S	C	*	.			trans	-64.7	97.1	-179.4	0	0	0	0	0	112.2
119	V	62.5	Low	84.8	Confident	24 Å²	24	30.6 Å²	30.6	15%	0.145	17%	0.169	C	C	.	.			trans	-66.9	139.1	173.2	-179.6	0	0	0	0	109.4	I115 N117 E121 M124	I115-V119 HydrophobicContact CB-CG2 4.08Å; N117-V119 PolarHBondContact O-N 3.48Å; V119-E121 PolarHBondContact O-N 2.66Å; V119-M124 HydrophobicContact CG1-CE 4.23Å; V119-M124 HydrophobicContact CG1-CG 3.73Å; V119-M124 HydrophobicContact CG1-SD 4.3Å
120	P	76.4	Confident	84.2	Confident	43 Å²	43	30.9 Å²	30.9	28%	0.279	17%	0.167	S	C	.	.			trans	-69.7	69	173	-20.3	34.5	0	0	0	112.7	I122 M123 M124	P120-I122 PolarHBondContact O-N 2.97Å; P120-M123 HydrophobicContact CB-CB 4.44Å; P120-M123 HydrophobicContact CB-CG 4.42Å; P120-M123 HydrophobicContact CB-SD 4.01Å; P120-M123 WeakPolarHBondContact O-CB 3.17Å; P120-M123 PolarHBondContact O-N 2.86Å; P120-M124 WeakPolarHBondContact O-CG 3.32Å
121	E	80.8	Confident	83.6	Confident	86 Å²	86	31.7 Å²	31.7	40%	0.402	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-50.8	-30.6	-172.7	-69.1	-172.4	-118.3	0	0	114	V119 M123 M124 T129 R377	V119-E121 PolarHBondContact O-N 2.66Å; E121-M123 PolarHBondContact O-N 2.83Å; E121-M124 PolarHBondContact O-N 2.92Å; E121-T129 HydrophobicContact CB-CG2 4.25Å; E121-T129 HydrophobicContact CG-CG2 3.99Å; E121-R377 IonicContact OE2-CZ 2.77Å; E121-R377 IonicContact OE2-NH1 2.83Å; E121-R377 PolarHBondContact OE2-NH1 3.02Å; E121-R377 IonicContact OE2-NH2 3.8Å; E121-R377 PolarHBondContact OE2-NH2 3.46Å
122	I	84.6	Confident	83.2	Confident	39 Å²	39	34.1 Å²	34.1	20%	0.2	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-67.1	-15.5	177.7	-162.7	155.4	0	0	0	115.3	P120 Y335 R377 F378 F443	P120-I122 PolarHBondContact O-N 2.97Å; I122-Y335 HydrophobicContact CD1-CE1 3.93Å; I122-R377 HydrophobicContact CB-CB 4.41Å; I122-R377 HydrophobicContact CG1-CB 4.38Å; I122-F378 HydrophobicContact CD1-CB 3.91Å; I122-F378 HydrophobicContact CD1-CD2 4.03Å; I122-F378 HydrophobicContact CD1-CG 4.48Å; I122-F443 HydrophobicContact CD1-CE1 3.85Å; I122-F443 HydrophobicContact CD1-CE2 4.43Å; I122-F443 HydrophobicContact CD1-CZ 3.79Å; I122-F443 HydrophobicContact CG1-CD1 4.4Å; I122-F443 HydrophobicContact CG1-CE1 3.52Å; I122-F443 HydrophobicContact CG1-CZ 3.78Å
123	M	85.1	Confident	82.7	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.039	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-103.5	-11.3	174.6	-67.8	173.8	52.1	0	0	113	P120 E121 I254 W286 V337 H488	P120-M123 HydrophobicContact CB-CB 4.44Å; P120-M123 HydrophobicContact CB-CG 4.42Å; P120-M123 HydrophobicContact CB-SD 4.01Å; P120-M123 WeakPolarHBondContact O-CB 3.17Å; P120-M123 PolarHBondContact O-N 2.86Å; E121-M123 PolarHBondContact O-N 2.83Å; M123-I254 HydrophobicContact CE-CD1 4.03Å; M123-I254 HydrophobicContact CE-CG1 4.19Å; M123-W286 HydrophobicContact CE-CB 3.58Å; M123-W286 HydrophobicContact CE-CD2 4.14Å; M123-W286 HydrophobicContact CE-CE3 4.46Å; M123-W286 HydrophobicContact CE-CG 3.78Å; M123-W286 HydrophobicContact CG-CD2 3.84Å; M123-W286 HydrophobicContact CG-CE3 3.39Å; M123-W286 HydrophobicContact CG-CG 4.46Å; M123-W286 HydrophobicContact CG-CH2 4.19Å; M123-W286 HydrophobicContact CG-CZ3 3.58Å; M123-W286 HydrophobicContact SD-CB 3.93Å; M123-W286 HydrophobicContact SD-CD2 4.11Å; M123-W286 HydrophobicContact SD-CE3 3.82Å; M123-W286 HydrophobicContact SD-CG 4.21Å; M123-V337 HydrophobicContact CE-CG1 3.77Å; M123-H488 PolarHBondContact O-CD2 2.66Å
124	M	89.7	Confident	82.6	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	-96.1	147.5	-165.8	-67.9	-66.4	-75.2	0	0	111.9	V119 P120 E121 I126 F128 T129 G174 S175 E178	V119-M124 HydrophobicContact CG1-CE 4.23Å; V119-M124 HydrophobicContact CG1-CG 3.73Å; V119-M124 HydrophobicContact CG1-SD 4.3Å; P120-M124 WeakPolarHBondContact O-CG 3.32Å; E121-M124 PolarHBondContact O-N 2.92Å; M124-I126 PolarHBondContact O-N 2.93Å; M124-F128 HydrophobicContact CE-CD1 3.37Å; M124-F128 HydrophobicContact CE-CD2 4.16Å; M124-F128 HydrophobicContact CE-CE1 3.28Å; M124-F128 HydrophobicContact CE-CE2 4.07Å; M124-F128 HydrophobicContact CE-CG 3.83Å; M124-F128 HydrophobicContact CE-CZ 3.64Å; M124-T129 HydrophobicContact CB-CG2 3.41Å; M124-T129 VanDerWaalsContact CB-CG2 3.41Å; M124-T129 HydrophobicContact CG-CG2 4.1Å; M124-G174 VanDerWaalsContact SD-CA 3.59Å; M124-S175 PolarHBondContact SD-N 2.77Å; M124-E178 HydrophobicContact CE-CG 3.85Å
125	P	91.6	Very high	82.7	Confident	7 Å²	7	41.1 Å²	41.1	5%	0.045	22%	0.22	C	C	.	.			trans	-56.2	138.7	171.6	-25.8	35.2	0	0	0	112	W127 F128 T129 H488	P125-W127 VanDerWaalsContact C-N 3.32Å; P125-W127 HydrophobicContact CB-CD2 4.13Å; P125-W127 HydrophobicContact CB-CG 4.34Å; P125-W127 HydrophobicContact CB-CZ2 3.84Å; P125-W127 HydrophobicContact CG-CZ2 4.07Å; P125-W127 PolarHBondContact O-N 3.15Å; P125-F128 HydrophobicContact CB-CB 4.29Å; P125-F128 WeakPolarHBondContact O-CB 3.44Å; P125-F128 PolarHBondContact O-N 2.8Å; P125-T129 PolarHBondContact O-N 3.35Å; P125-T129 PolarHBondContact O-OG1 3.42Å; P125-H488 WeakPolarHBondContact CA-O 3.46Å
126	I	91.2	Very high	83.1	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-37.2	-174.1	-62.7	-146.7	0	0	0	111.8	M124 F128 T129 F130 L376 A487 H488	M124-I126 PolarHBondContact O-N 2.93Å; I126-F128 PolarHBondContact O-N 2.91Å; I126-T129 PolarHBondContact O-N 3.5Å; I126-T129 PolarHBondContact O-OG1 3.05Å; I126-F130 HydrophobicContact CG2-CD2 3.37Å; I126-F130 HydrophobicContact CG2-CE2 3.22Å; I126-F130 HydrophobicContact CG2-CG 4.13Å; I126-F130 HydrophobicContact CG2-CZ 3.88Å; I126-F130 WeakPolarHBondContact O-CB 3.44Å; I126-F130 PolarHBondContact O-N 3.33Å; I126-L376 HydrophobicContact CD1-CB 3.95Å; I126-L376 HydrophobicContact CD1-CD2 3.53Å; I126-L376 HydrophobicContact CD1-CG 4.25Å; I126-A487 HydrophobicContact CD1-CB 3.5Å; I126-A487 HydrophobicContact CG1-CB 4.24Å; I126-H488 PolarHBondContact N-O 3.28Å
127	W	90.4	Very high	84.3	Confident	30 Å²	30	38.7 Å²	38.7	11%	0.114	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-24.4	174	58.4	-101.5	0	0	0	113.5	P125 N131 I184 G489 V492 L506 F507	P125-W127 VanDerWaalsContact C-N 3.32Å; P125-W127 HydrophobicContact CB-CD2 4.13Å; P125-W127 HydrophobicContact CB-CG 4.34Å; P125-W127 HydrophobicContact CB-CZ2 3.84Å; P125-W127 HydrophobicContact CG-CZ2 4.07Å; P125-W127 PolarHBondContact O-N 3.15Å; W127-N131 WeakPolarHBondContact O-CB 3.48Å; W127-N131 PolarHBondContact O-ND2 3.35Å; W127-I184 HydrophobicContact CH2-CD1 4.39Å; W127-G489 PolarHBondContact NE1-O 2.99Å; W127-V492 HydrophobicContact CZ2-CG1 4.34Å; W127-L506 HydrophobicContact CE3-CD1 4.04Å; W127-L506 HydrophobicContact CE3-CD2 4.33Å; W127-L506 HydrophobicContact CE3-CG 4.1Å; W127-L506 HydrophobicContact CZ3-CD1 4.18Å; W127-L506 HydrophobicContact CZ3-CD2 4.06Å; W127-L506 HydrophobicContact CZ3-CG 4.29Å; W127-F507 HydrophobicContact CB-CD1 3.95Å; W127-F507 HydrophobicContact CB-CE1 3.86Å; W127-F507 AromaticContact CD1-CE1 3.75Å; W127-F507 AromaticContact CD2-CE1 3.59Å; W127-F507 HydrophobicContact CD2-CE1 3.59Å; W127-F507 AromaticContact CD2-CZ 3.96Å; W127-F507 HydrophobicContact CD2-CZ 3.96Å; W127-F507 HydrophobicContact CE3-CE1 4.1Å; W127-F507 HydrophobicContact CE3-CZ 4.12Å; W127-F507 HydrophobicContact CG-CD1 4.08Å; W127-F507 AromaticContact CG-CE1 3.46Å; W127-F507 HydrophobicContact CG-CE1 3.46Å; W127-F507 VanDerWaalsContact CG-CE1 3.46Å; W127-F507 HydrophobicContact CG-CZ 4.3Å
128	F	91.4	Very high	85.8	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.022	22%	0.216	C	C	.	.	H	α-helix	trans	-77.9	-51.4	176.5	-172.9	-73.3	0	0	0	110.2	I115 M124 P125 I126 N131 L132 V135 E178 M183	I115-F128 HydrophobicContact CG2-CE1 4.49Å; I115-F128 HydrophobicContact CG2-CZ 4.41Å; M124-F128 HydrophobicContact CE-CD1 3.37Å; M124-F128 HydrophobicContact CE-CD2 4.16Å; M124-F128 HydrophobicContact CE-CE1 3.28Å; M124-F128 HydrophobicContact CE-CE2 4.07Å; M124-F128 HydrophobicContact CE-CG 3.83Å; M124-F128 HydrophobicContact CE-CZ 3.64Å; P125-F128 HydrophobicContact CB-CB 4.29Å; P125-F128 WeakPolarHBondContact O-CB 3.44Å; P125-F128 PolarHBondContact O-N 2.8Å; I126-F128 PolarHBondContact O-N 2.91Å; F128-N131 CarbonylContact O-C 3.56Å; F128-N131 PolarHBondContact O-N 3.07Å; F128-L132 HydrophobicContact CD1-CD2 3.99Å; F128-L132 HydrophobicContact CE1-CD2 3.93Å; F128-L132 PolarHBondContact O-N 3.03Å; F128-V135 HydrophobicContact CD1-CG1 4.24Å; F128-V135 HydrophobicContact CD1-CG2 4.26Å; F128-V135 HydrophobicContact CD2-CG1 4.22Å; F128-V135 HydrophobicContact CD2-CG2 4.03Å; F128-V135 HydrophobicContact CE1-CG1 3.69Å; F128-V135 HydrophobicContact CE2-CG1 3.68Å; F128-V135 HydrophobicContact CE2-CG2 4.32Å; F128-V135 HydrophobicContact CG-CG1 4.48Å; F128-V135 HydrophobicContact CG-CG2 4.01Å; F128-V135 HydrophobicContact CZ-CG1 3.4Å; F128-E178 HydrophobicContact CE1-CG 4.35Å; F128-E178 HydrophobicContact CZ-CG 3.89Å; F128-M183 HydrophobicContact CD2-SD 4.19Å; F128-M183 HydrophobicContact CE2-CE 3.98Å; F128-M183 HydrophobicContact CE2-SD 3.87Å
129	T	87.6	Confident	87.4	Confident	9 Å²	9	36.4 Å²	36.4	6%	0.055	19%	0.189	C	C	.	.	H	α-helix	trans	-75.5	-24.8	-173.7	51.4	0	0	0	0	114	E121 M124 P125 I126 L132 R377	E121-T129 HydrophobicContact CB-CG2 4.25Å; E121-T129 HydrophobicContact CG-CG2 3.99Å; M124-T129 HydrophobicContact CB-CG2 3.41Å; M124-T129 VanDerWaalsContact CB-CG2 3.41Å; M124-T129 HydrophobicContact CG-CG2 4.1Å; P125-T129 PolarHBondContact O-N 3.35Å; P125-T129 PolarHBondContact O-OG1 3.42Å; I126-T129 PolarHBondContact O-N 3.5Å; I126-T129 PolarHBondContact O-OG1 3.05Å; T129-L132 WeakPolarHBondContact O-CG 3.11Å; T129-R377 PolarHBondContact OG1-NH2 2.97Å
130	F	85.6	Confident	88.8	Confident	39 Å²	39	42.4 Å²	42.4	17%	0.171	22%	0.215	C	C	.	.	H	α-helix	trans	-79	-26.2	170.5	-71.2	-15.8	0	0	0	113.3	I126 M479 K480	I126-F130 HydrophobicContact CG2-CD2 3.37Å; I126-F130 HydrophobicContact CG2-CE2 3.22Å; I126-F130 HydrophobicContact CG2-CG 4.13Å; I126-F130 HydrophobicContact CG2-CZ 3.88Å; I126-F130 WeakPolarHBondContact O-CB 3.44Å; I126-F130 PolarHBondContact O-N 3.33Å; F130-M479 HydrophobicContact CB-CB 4.22Å; F130-M479 HydrophobicContact CB-CE 3.95Å; F130-M479 HydrophobicContact CB-SD 3.98Å; F130-M479 HydrophobicContact CD2-CB 3.58Å; F130-M479 HydrophobicContact CE2-CB 4.05Å; F130-M479 WeakPolarHBondContact CE2-O 3.39Å; F130-M479 HydrophobicContact CG-CB 3.98Å; F130-M479 WeakPolarHBondContact CZ-O 3.45Å; F130-M479 WeakPolarHBondContact O-CE 3.49Å; F130-K480 HydrophobicContact CE2-CB 4.05Å; F130-K480 HydrophobicContact CE2-CG 4.23Å
131	N	86.4	Confident	89.8	Confident	18 Å²	18	45.1 Å²	45.1	10%	0.096	23%	0.228	C	C	.	.			trans	-111	37.4	-176.1	-57	-68.9	0	0	0	113	W127 F128 D133 I134 V135 L506 P508	W127-N131 WeakPolarHBondContact O-CB 3.48Å; W127-N131 PolarHBondContact O-ND2 3.35Å; F128-N131 CarbonylContact O-C 3.56Å; F128-N131 PolarHBondContact O-N 3.07Å; N131-D133 VanDerWaalsContact C-N 3.25Å; N131-D133 PolarHBondContact O-N 3.05Å; N131-D133 VanDerWaalsContact O-N 3.17Å; N131-I134 HydrophobicContact CB-CB 4.38Å; N131-I134 PolarHBondContact O-N 3.31Å; N131-V135 WeakPolarHBondContact O-CG2 3.49Å; N131-V135 PolarHBondContact O-N 2.97Å; N131-L506 PolarHBondContact ND2-O 2.68Å; N131-P508 WeakPolarHBondContact OD1-CG 3.45Å
132	L	88.6	Confident	90.6	Very high	55 Å²	55	44.4 Å²	44.4	29%	0.288	22%	0.224	S	C	.	.	H	α-helix	trans	-55.6	-34.1	-174.7	-72.6	172	0	0	0	114	I115 F128 T129 I134 V135 T136	I115-L132 HydrophobicContact CD1-CD2 4.24Å; F128-L132 HydrophobicContact CD1-CD2 3.99Å; F128-L132 HydrophobicContact CE1-CD2 3.93Å; F128-L132 PolarHBondContact O-N 3.03Å; T129-L132 WeakPolarHBondContact O-CG 3.11Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 2.9Å; L132-V135 PolarHBondContact O-N 3.45Å; L132-T136 WeakPolarHBondContact O-CB 3.29Å; L132-T136 PolarHBondContact O-N 3.27Å; L132-T136 PolarHBondContact O-OG1 3.15Å
133	D	89.1	Confident	91.2	Very high	141 Å²	141	47.6 Å²	47.6	75%	0.754	24%	0.238	S	C	*	.	H	α-helix	trans	-61.7	-40.6	174.3	-71.5	-28.3	0	0	0	112.1	N131 T136	N131-D133 VanDerWaalsContact C-N 3.25Å; N131-D133 PolarHBondContact O-N 3.05Å; N131-D133 VanDerWaalsContact O-N 3.17Å; D133-T136 WeakPolarHBondContact O-CB 3.04Å
134	I	91.7	Very high	91.8	Very high	50 Å²	50	48.4 Å²	48.4	26%	0.256	24%	0.242	S	C	.	.	H	α-helix	trans	-75.8	-43.8	178.4	-56.1	-56.7	0	0	0	110.4	N131 L132 T136 T137 Y138 D505 L506	N131-I134 HydrophobicContact CB-CB 4.38Å; N131-I134 PolarHBondContact O-N 3.31Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 2.9Å; I134-T136 PolarHBondContact O-N 3Å; I134-T137 WeakPolarHBondContact O-CB 3.44Å; I134-T137 PolarHBondContact O-N 2.99Å; I134-T137 PolarHBondContact O-OG1 3.32Å; I134-Y138 HydrophobicContact CG2-CE2 4.11Å; I134-Y138 WeakPolarHBondContact O-CD2 3.35Å; I134-D505 HydrophobicContact CD1-CB 4.2Å; I134-D505 HydrophobicContact CG1-CB 4.36Å; I134-D505 HydrophobicContact CG2-CB 3.92Å; I134-L506 HydrophobicContact CG2-CB 4.27Å; I134-L506 HydrophobicContact CG2-CD1 4.43Å
135	V	91.8	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-50.9	-43.7	171.2	165.3	0	0	0	0	110.8	I115 F128 N131 L132 T137 Y138 I139 M183 L506	I115-V135 HydrophobicContact CD1-CG1 3.84Å; F128-V135 HydrophobicContact CD1-CG1 4.24Å; F128-V135 HydrophobicContact CD1-CG2 4.26Å; F128-V135 HydrophobicContact CD2-CG1 4.22Å; F128-V135 HydrophobicContact CD2-CG2 4.03Å; F128-V135 HydrophobicContact CE1-CG1 3.69Å; F128-V135 HydrophobicContact CE2-CG1 3.68Å; F128-V135 HydrophobicContact CE2-CG2 4.32Å; F128-V135 HydrophobicContact CG-CG1 4.48Å; F128-V135 HydrophobicContact CG-CG2 4.01Å; F128-V135 HydrophobicContact CZ-CG1 3.4Å; N131-V135 WeakPolarHBondContact O-CG2 3.49Å; N131-V135 PolarHBondContact O-N 2.97Å; L132-V135 PolarHBondContact O-N 3.45Å; V135-T137 PolarHBondContact O-N 2.92Å; V135-Y138 PolarHBondContact O-N 3.26Å; V135-I139 PolarHBondContact O-N 3.36Å; V135-M183 HydrophobicContact CB-CE 4.24Å; V135-M183 HydrophobicContact CG1-CE 3.6Å; V135-M183 HydrophobicContact CG2-CE 4.48Å; V135-L506 HydrophobicContact CG2-CD1 3.83Å
136	T	91.1	Very high	92.6	Very high	44 Å²	44	49.7 Å²	49.7	27%	0.27	25%	0.248	S	C	.	.	H	α-helix	trans	-55.2	-37.5	176.5	-58	0	0	0	0	111.9	L132 D133 I134 Y138 I139 Q140	L132-T136 WeakPolarHBondContact O-CB 3.29Å; L132-T136 PolarHBondContact O-N 3.27Å; L132-T136 PolarHBondContact O-OG1 3.15Å; D133-T136 WeakPolarHBondContact O-CB 3.04Å; I134-T136 PolarHBondContact O-N 3Å; T136-Y138 VanDerWaalsContact C-N 3.29Å; T136-Y138 PolarHBondContact O-N 2.89Å; T136-I139 CarbonylContact O-C 3.46Å; T136-I139 PolarHBondContact O-N 3.48Å; T136-Q140 PolarHBondContact O-N 3.06Å
137	T	93.2	Very high	93	Very high	71 Å²	71	49.5 Å²	49.5	44%	0.436	25%	0.247	S	C	.	.	H	α-helix	trans	-66.1	-28.2	178.5	73.8	0	0	0	0	113.6	I134 V135 Q140	I134-T137 WeakPolarHBondContact O-CB 3.44Å; I134-T137 PolarHBondContact O-N 2.99Å; I134-T137 PolarHBondContact O-OG1 3.32Å; V135-T137 PolarHBondContact O-N 2.92Å; T137-Q140 PolarHBondContact O-NE2 2.73Å
138	Y	93.6	Very high	93.4	Very high	81 Å²	81	49.2 Å²	49.2	32%	0.318	25%	0.246	S	C	.	.	H	α-helix	trans	-79.2	-21.2	175.8	-74.4	-90.4	0	0	0	113.1	V110 I134 V135 T136 N182 M183 L506	V110-Y138 WeakPolarHBondContact CG1-O 3.39Å; I134-Y138 HydrophobicContact CG2-CE2 4.11Å; I134-Y138 WeakPolarHBondContact O-CD2 3.35Å; V135-Y138 PolarHBondContact O-N 3.26Å; T136-Y138 VanDerWaalsContact C-N 3.29Å; T136-Y138 PolarHBondContact O-N 2.89Å; Y138-N182 WeakPolarHBondContact CD1-O 3.43Å; Y138-N182 WeakPolarHBondContact CE1-O 3.33Å; Y138-M183 HydrophobicContact CD1-CB 4.5Å; Y138-M183 HydrophobicContact CD1-CG 4Å; Y138-M183 HydrophobicContact CD2-CG 4.14Å; Y138-M183 HydrophobicContact CG-CG 3.71Å; Y138-L506 HydrophobicContact CE2-CD2 4.47Å
139	I	93.2	Very high	93.7	Very high	7 Å²	7	49 Å²	49	4%	0.036	25%	0.245	C	C	.	.	S	Bend	trans	-116.4	13.7	-175.2	68.7	162.7	0	0	0	114.1	V110 Q113 I115 V135 T136 Q142 T180 M183	V110-I139 HydrophobicContact CG2-CB 3.94Å; V110-I139 HydrophobicContact CG2-CG2 4.18Å; Q113-I139 HydrophobicContact CG-CB 4.44Å; Q113-I139 HydrophobicContact CG-CD1 4.12Å; I115-I139 HydrophobicContact CB-CD1 4.47Å; I115-I139 HydrophobicContact CD1-CD1 3.66Å; I115-I139 HydrophobicContact CG1-CD1 3.84Å; I115-I139 HydrophobicContact CG2-CD1 3.86Å; V135-I139 PolarHBondContact O-N 3.36Å; T136-I139 CarbonylContact O-C 3.46Å; T136-I139 PolarHBondContact O-N 3.48Å; I139-Q142 WeakPolarHBondContact O-CG 3.05Å; I139-Q142 PolarHBondContact O-NE2 2.99Å; I139-T180 HydrophobicContact CG2-CG2 3.97Å; I139-M183 HydrophobicContact CG2-CE 3.56Å
140	Q	92.5	Very high	94.3	Very high	151 Å²	151	48.5 Å²	48.5	71%	0.706	24%	0.242	S	C	*	.	S	Bend	trans	-71.2	-29.4	-179.7	68.7	-173.6	-61.2	0	0	113.5	T136 T137	T136-Q140 PolarHBondContact O-N 3.06Å; T137-Q140 PolarHBondContact O-NE2 2.73Å
141	D	96.3	Very high	94.9	Very high	100 Å²	100	46.7 Å²	46.7	54%	0.535	23%	0.234	S	C	.	.	S	Bend	trans	-101.4	100.9	178	-173.5	16.1	0	0	0	109.1	P109 V110	P109-D141 WeakPolarHBondContact CA-O 3.4Å; V110-D141 PolarHBondContact N-O 2.89Å
142	Q	97.5	Very high	95.5	Very high	71 Å²	71	46 Å²	46	33%	0.332	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-119.9	136.2	-173.2	-52.5	-168.5	2.6	0	0	111.6	V110 Q113 I139	V110-Q142 HydrophobicContact CG2-CB 4.45Å; V110-Q142 HydrophobicContact CG2-CG 3.84Å; V110-Q142 WeakPolarHBondContact O-CA 3.23Å; Q113-Q142 PolarHBondContact O-NE2 2.83Å; Q113-Q142 PolarHBondContact O-OE1 2.85Å; Q113-Q142 VanDerWaalsContact O-OE1 3.12Å; I139-Q142 WeakPolarHBondContact O-CG 3.05Å; I139-Q142 PolarHBondContact O-NE2 2.99Å
143	H	98	Very high	96	Very high	105 Å²	105	44 Å²	44	49%	0.486	22%	0.221	S	C	.	.			trans	-153.8	153.3	175.3	-163.3	-113.1	0	0	0	111.6	P109 V110 P112 D145 C146	P109-H143 HydrophobicContact CB-CB 3.78Å; P109-H143 HydrophobicContact CG-CB 4.28Å; V110-H143 PolarHBondContact O-N 2.85Å; P112-H143 WeakPolarHBondContact CD-O 3.16Å; H143-D145 VanDerWaalsContact C-N 3.25Å; H143-D145 VanDerWaalsContact ND1-CB 3.32Å; H143-D145 WeakPolarHBondContact ND1-CB 3.37Å; H143-D145 PolarHBondContact ND1-N 2.96Å; H143-D145 VanDerWaalsContact ND1-N 3.18Å; H143-D145 PolarHBondContact O-N 3.31Å; H143-C146 WeakPolarHBondContact O-CB 3.46Å
144	E	98.4	Very high	96.3	Very high	26 Å²	26	37.6 Å²	37.6	12%	0.121	19%	0.187	C	C	.	.	S	Bend	trans	-68.7	-25.1	175.9	-75	175.7	-115	0	0	112.6	P83 V84 R88 P112 C146 L207 S322	P83-E144 VanDerWaalsContact CD-O 3.28Å; P83-E144 WeakPolarHBondContact CD-O 3.49Å; P83-E144 VanDerWaalsContact CG-O 3.29Å; P83-E144 WeakPolarHBondContact CG-O 3.18Å; V84-E144 HydrophobicContact CG1-CB 3.72Å; R88-E144 IonicContact CZ-OE1 3.06Å; R88-E144 IonicContact CZ-OE2 2.73Å; R88-E144 VanDerWaalsContact CZ-OE2 3.23Å; R88-E144 IonicContact NE-OE2 3.44Å; R88-E144 PolarHBondContact NE-OE2 2.79Å; R88-E144 IonicContact NH2-OE1 3.12Å; R88-E144 PolarHBondContact NH2-OE1 3.04Å; R88-E144 IonicContact NH2-OE2 3.77Å; R88-E144 PolarHBondContact NH2-OE2 2.64Å; P112-E144 HydrophobicContact CG-CG 3.99Å; E144-C146 VanDerWaalsContact C-N 3.33Å; E144-C146 PolarHBondContact O-N 2.88Å; E144-C146 VanDerWaalsContact O-N 3.09Å; E144-L207 HydrophobicContact CG-CD1 4.21Å; E144-S322 WeakPolarHBondContact CG-OG 3.43Å; E144-S322 WeakPolarHBondContact OE1-CB 3.14Å; E144-S322 PolarHBondContact OE1-OG 3.42Å
145	D	98.4	Very high	96.2	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	19%	0.185	C	C	.	.			trans	-75.7	87.3	160.6	-174.6	22.2	0	0	0	109.5	P82 H143 Y148	P82-D145 HydrophobicContact CB-CB 3.9Å; P82-D145 HydrophobicContact CG-CB 4.25Å; P82-D145 WeakPolarHBondContact CG-OD1 3.49Å; H143-D145 VanDerWaalsContact C-N 3.25Å; H143-D145 VanDerWaalsContact ND1-CB 3.32Å; H143-D145 WeakPolarHBondContact ND1-CB 3.37Å; H143-D145 PolarHBondContact ND1-N 2.96Å; H143-D145 VanDerWaalsContact ND1-N 3.18Å; H143-D145 PolarHBondContact O-N 3.31Å; D145-Y148 WeakPolarHBondContact OD1-CE2 3.49Å; D145-Y148 PolarHBondContact OD1-OH 2.87Å; D145-Y148 PolarHBondContact OD2-OH 3.45Å
146	C	98.7	Very high	95.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.			trans	-130.2	5.5	-178	64.2	0	0	0	0	114.5	C111 H143 E144 Y148 N201	C111-C146 VanDerWaalsContact CA-CB 3.48Å; C111-C146 WeakPolarHBondContact CA-SG 3.44Å; C111-C146 HydrophobicContact CB-CB 3.81Å; C111-C146 WeakPolarHBondContact CB-SG 3.37Å; C111-C146 WeakPolarHBondContact SG-CB 3.35Å; C111-C146 CovalentContact SG-SG 2.03Å; C111-C146 PolarHBondContact SG-SG 3.44Å; H143-C146 WeakPolarHBondContact O-CB 3.46Å; E144-C146 VanDerWaalsContact C-N 3.33Å; E144-C146 PolarHBondContact O-N 2.88Å; E144-C146 VanDerWaalsContact O-N 3.09Å; C146-Y148 VanDerWaalsContact C-CD2 3.45Å; C146-Y148 PolarHBondContact O-N 2.83Å; C146-N201 WeakPolarHBondContact O-CB 3.4Å
147	L	98.9	Very high	94.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.			trans	-80.4	67.7	-174.6	-56.5	-171.6	0	0	0	112.1	Y79 A80 P83 P92 R203 D225	Y79-L147 WeakPolarHBondContact CD1-O 3.31Å; Y79-L147 HydrophobicContact CE1-CB 4.22Å; Y79-L147 HydrophobicContact CE2-CB 4.15Å; Y79-L147 PolarHBondContact N-O 2.8Å; A80-L147 HydrophobicContact CB-CB 3.9Å; A80-L147 HydrophobicContact CB-CD1 3.62Å; A80-L147 HydrophobicContact CB-CG 4.42Å; P83-L147 HydrophobicContact CB-CD1 4.22Å; P83-L147 HydrophobicContact CG-CD1 3.84Å; P83-L147 HydrophobicContact CG-CD2 4.47Å; P83-L147 HydrophobicContact CG-CG 3.96Å; P92-L147 HydrophobicContact CB-CD1 4.09Å; L147-R203 HydrophobicContact CD2-CG 4.15Å; L147-D225 HydrophobicContact CD2-CB 4.26Å; L147-D225 WeakPolarHBondContact CD2-OD2 3.42Å
148	Y	98.9	Very high	92.4	Very high	24 Å²	24	45.5 Å²	45.5	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148	-174.2	-66.5	-82.9	0	0	0	111.7	G76 V77 P78 A108 D145 C146 N201	G76-Y148 VanDerWaalsContact O-CD1 3.3Å; G76-Y148 WeakPolarHBondContact O-CD1 3.33Å; V77-Y148 CarbonylContact O-C 3.5Å; V77-Y148 VanDerWaalsContact O-CA 3.31Å; V77-Y148 WeakPolarHBondContact O-CA 3.38Å; P78-Y148 HydrophobicContact CB-CD1 4.02Å; P78-Y148 HydrophobicContact CB-CE1 3.69Å; P78-Y148 HydrophobicContact CG-CE1 4.32Å; A108-Y148 HydrophobicContact CB-CD1 3.76Å; A108-Y148 HydrophobicContact CB-CD2 3.42Å; A108-Y148 VanDerWaalsContact CB-CD2 3.42Å; A108-Y148 HydrophobicContact CB-CE1 4.18Å; A108-Y148 HydrophobicContact CB-CE2 3.91Å; A108-Y148 HydrophobicContact CB-CG 3.37Å; D145-Y148 WeakPolarHBondContact OD1-CE2 3.49Å; D145-Y148 PolarHBondContact OD1-OH 2.87Å; D145-Y148 PolarHBondContact OD2-OH 3.45Å; C146-Y148 VanDerWaalsContact C-CD2 3.45Å; C146-Y148 PolarHBondContact O-N 2.83Å; Y148-N201 PolarHBondContact O-N 3.11Å
149	L	98.9	Very high	90.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.4	172.3	61.8	78.2	0	0	0	111.8	G76 V77 Y79 I151 I198 T199 L200 A229 W232 I233	G76-L149 PolarHBondContact N-O 3.2Å; V77-L149 HydrophobicContact CB-CD1 3.98Å; V77-L149 WeakPolarHBondContact CB-O 3.35Å; V77-L149 HydrophobicContact CG1-CD1 4.34Å; V77-L149 PolarHBondContact N-O 2.84Å; V77-L149 PolarHBondContact O-N 3.26Å; Y79-L149 HydrophobicContact CD1-CB 4Å; Y79-L149 HydrophobicContact CD1-CD2 3.87Å; Y79-L149 HydrophobicContact CD1-CG 3.97Å; Y79-L149 HydrophobicContact CG-CD2 4.06Å; L149-I151 HydrophobicContact CD1-CD1 3.81Å; L149-I151 HydrophobicContact CD1-CG1 3.51Å; L149-I198 HydrophobicContact CB-CG2 4.23Å; L149-I198 HydrophobicContact CD1-CG2 4.16Å; L149-I198 HydrophobicContact CD2-CG2 4.45Å; L149-T199 CarbonylContact C-O 3.57Å; L149-T199 WeakPolarHBondContact CA-O 3.35Å; L149-T199 WeakPolarHBondContact CB-O 3.15Å; L149-L200 HydrophobicContact CB-CB 3.84Å; L149-A229 HydrophobicContact CD2-CB 4.35Å; L149-W232 HydrophobicContact CD1-CE3 4.4Å; L149-W232 HydrophobicContact CD1-CZ3 4.02Å; L149-W232 HydrophobicContact CD2-CE3 3.94Å; L149-W232 HydrophobicContact CD2-CZ3 4.37Å; L149-I233 HydrophobicContact CD2-CD1 4.15Å; L149-I233 HydrophobicContact CD2-CG1 3.99Å
150	N	98.9	Very high	88.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.2	-175.8	-53.7	-54.4	0	0	0	108.5	Y74 L75 G76 F107 Y152 N182 I198 T199	Y74-N150 CarbonylContact O-C 3.54Å; Y74-N150 WeakPolarHBondContact O-CA 3.45Å; L75-N150 WeakPolarHBondContact CA-OD1 3.47Å; L75-N150 HydrophobicContact CD2-CB 3.86Å; G76-N150 PolarHBondContact N-OD1 2.86Å; F107-N150 WeakPolarHBondContact CD1-OD1 3.46Å; F107-N150 HydrophobicContact CE1-CB 4.43Å; N150-Y152 HydrophobicContact CB-CE2 3.86Å; N150-N182 PolarHBondContact ND2-OD1 2.73Å; N150-I198 CarbonylContact O-C 3.53Å; N150-I198 VanDerWaalsContact O-CA 3.25Å; N150-I198 WeakPolarHBondContact O-CA 3.38Å; N150-I198 WeakPolarHBondContact O-CG2 3.36Å; N150-T199 PolarHBondContact N-O 2.98Å; N150-T199 PolarHBondContact ND2-OG1 2.94Å; N150-T199 PolarHBondContact O-N 2.83Å
151	I	98.9	Very high	87	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.7	-175.6	-48.3	173.5	0	0	0	109.5	Q73 Y74 L149 V153 I196 I198 W232 I237 F240	Q73-I151 CarbonylContact C-O 3.57Å; Q73-I151 WeakPolarHBondContact CA-O 3.36Å; Y74-I151 PolarHBondContact N-O 3.41Å; Y74-I151 PolarHBondContact O-N 3.2Å; L149-I151 HydrophobicContact CD1-CD1 3.81Å; L149-I151 HydrophobicContact CD1-CG1 3.51Å; I151-V153 HydrophobicContact CG2-CG2 3.79Å; I151-I196 HydrophobicContact CG2-CG2 3.57Å; I151-I198 HydrophobicContact CG1-CG1 4.48Å; I151-I198 HydrophobicContact CG2-CG1 4.3Å; I151-W232 HydrophobicContact CD1-CH2 3.98Å; I151-W232 HydrophobicContact CD1-CZ3 3.9Å; I151-I237 HydrophobicContact CD1-CD1 4.48Å; I151-I237 HydrophobicContact CG2-CD1 4.17Å; I151-F240 HydrophobicContact CD1-CD1 4.2Å; I151-F240 HydrophobicContact CD1-CD2 4.26Å; I151-F240 HydrophobicContact CD1-CE1 3.74Å; I151-F240 HydrophobicContact CD1-CE2 3.8Å; I151-F240 HydrophobicContact CD1-CG 4.44Å; I151-F240 HydrophobicContact CD1-CZ 3.51Å; I151-F240 HydrophobicContact CG2-CD1 4.36Å
152	Y	98.8	Very high	85.3	Confident	3 Å²	3	57.3 Å²	57.3	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	101.7	-178.8	-60	-93	0	0	0	108.9	V71 Q73 L75 N150 D185 S187 I196 V197 T199	V71-Y152 HydrophobicContact CG1-CD1 4.47Å; Q73-Y152 HydrophobicContact CG-CD1 3.9Å; Q73-Y152 HydrophobicContact CG-CE1 4.13Å; L75-Y152 HydrophobicContact CD2-CE1 4.22Å; N150-Y152 HydrophobicContact CB-CE2 3.86Å; Y152-D185 WeakPolarHBondContact CE1-OD1 3.18Å; Y152-S187 VanDerWaalsContact CD1-OG 3.24Å; Y152-S187 WeakPolarHBondContact CD1-OG 3.08Å; Y152-I196 WeakPolarHBondContact O-CA 3.45Å; Y152-V197 PolarHBondContact N-O 2.98Å; Y152-V197 PolarHBondContact O-N 3.05Å; Y152-V197 VanDerWaalsContact O-N 3.11Å; Y152-T199 HydrophobicContact CE2-CG2 4.23Å
153	V	98.3	Very high	84.4	Confident	15 Å²	15	55.7 Å²	55.7	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.7	-174.9	-172.8	0	0	0	0	110.1	V71 D72 Y74 I151 I196 F240	V71-V153 CarbonylContact C-O 3.58Å; V71-V153 WeakPolarHBondContact CA-O 3.09Å; V71-V153 WeakPolarHBondContact CG1-O 3.4Å; D72-V153 HydrophobicContact CB-CB 4.29Å; D72-V153 PolarHBondContact N-O 3.47Å; D72-V153 PolarHBondContact O-N 2.95Å; Y74-V153 HydrophobicContact CD2-CG2 4.34Å; Y74-V153 HydrophobicContact CE2-CG2 4.14Å; I151-V153 HydrophobicContact CG2-CG2 3.79Å; V153-I196 HydrophobicContact CG1-CD1 4.26Å; V153-I196 HydrophobicContact CG1-CG1 4.29Å; V153-I196 HydrophobicContact CG2-CD1 4.33Å; V153-I196 HydrophobicContact CG2-CG1 4.5Å; V153-I196 HydrophobicContact CG2-CG2 4.28Å; V153-F240 HydrophobicContact CG2-CB 4.11Å; V153-F240 HydrophobicContact CG2-CD1 4.24Å
154	P	95.9	Very high	84.1	Confident	6 Å²	6	53 Å²	53	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.9	177.3	29.9	-32.7	0	0	0	110.1	K165 A190 V195	P154-K165 HydrophobicContact CG-CD 3.75Å; P154-A190 WeakPolarHBondContact CB-O 3.37Å; P154-V195 VanDerWaalsContact CD-O 3.27Å; P154-V195 WeakPolarHBondContact CD-O 3.46Å; P154-V195 WeakPolarHBondContact CG-O 3.15Å
155	T	90.8	Very high	84	Confident	35 Å²	35	52.4 Å²	52.4	22%	0.215	28%	0.277	C	S	.	.			trans	-90	-2.7	-173.4	66.5	0	0	0	0	114.3	R60 P70 D72	R60-T155 HydrophobicContact CG-CG2 4.45Å; R60-T155 VanDerWaalsContact CZ-CG2 3.43Å; P70-T155 WeakPolarHBondContact CG-OG1 3.34Å; P70-T155 WeakPolarHBondContact O-CB 3.44Å; P70-T155 VanDerWaalsContact O-CG2 3.23Å; P70-T155 WeakPolarHBondContact O-CG2 3.36Å; P70-T155 PolarHBondContact O-N 2.88Å; P70-T155 PolarHBondContact O-OG1 3.47Å; D72-T155 HydrophobicContact CB-CG2 4.24Å
156	E	74.3	Confident	83.9	Confident	111 Å²	111	50.8 Å²	50.8	52%	0.519	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-87.8	131.1	173.5	-65	-171.2	-177.5	0	0	110.8	G69 K165 N194	G69-E156 VanDerWaalsContact CA-OE1 3.23Å; G69-E156 WeakPolarHBondContact CA-OE1 3.21Å; G69-E156 PolarHBondContact N-OE1 2.86Å; E156-K165 PolarHBondContact O-NZ 3.23Å; E156-N194 PolarHBondContact O-OD1 2.83Å
157	D	63.1	Low	84	Confident	116 Å²	116	50.8 Å²	50.8	62%	0.62	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-91	121.5	162.6	-67.6	-38.4	0	0	0	108.1	I159 K165	D157-I159 PolarHBondContact O-N 2.86Å; D157-K165 IonicContact OD1-NZ 3.47Å; D157-K165 PolarHBondContact OD1-NZ 2.88Å
158	D	58	Low	84	Confident	69 Å²	69	50.8 Å²	50.8	37%	0.369	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-65.9	124	170.1	-174.2	-16.8	0	0	0	107.4	R160 D161	D158-R160 PolarHBondContact O-N 2.88Å; D158-R160 WeakPolarHBondContact OD1-CB 3.33Å; D158-R160 PolarHBondContact OD1-N 3.47Å; D158-D161 HydrophobicContact CB-CB 4.47Å; D158-D161 CarbonylContact O-C 3.51Å; D158-D161 VanDerWaalsContact O-C 3.22Å; D158-D161 PolarHBondContact O-N 2.97Å
159	I	54.4	Low	84	Confident	170 Å²	170	49.7 Å²	49.7	87%	0.872	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-15.9	177.4	-57.2	171.9	0	0	0	111.2	D157	D157-I159 PolarHBondContact O-N 2.86Å
160	R	53.3	Low	84	Confident	233 Å²	233	49.8 Å²	49.8	88%	0.879	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-20	176.1	-55.2	176.6	177.9	-165.7	-0.5	114.8	D158	D158-R160 PolarHBondContact O-N 2.88Å; D158-R160 WeakPolarHBondContact OD1-CB 3.33Å; D158-R160 PolarHBondContact OD1-N 3.47Å
161	D	58.2	Low	84	Confident	67 Å²	67	49.8 Å²	49.8	36%	0.358	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-141.9	87.6	178.9	-170.4	2.3	0	0	0	110.5	D158 G163	D158-D161 HydrophobicContact CB-CB 4.47Å; D158-D161 CarbonylContact O-C 3.51Å; D158-D161 VanDerWaalsContact O-C 3.22Å; D158-D161 PolarHBondContact O-N 2.97Å; D161-G163 PolarHBondContact O-N 2.56Å; D161-G163 WeakPolarHBondContact OD1-CA 3.33Å; D161-G163 PolarHBondContact OD1-N 2.87Å
162	T	61.5	Low	83.9	Confident	117 Å²	117	50.2 Å²	50.2	72%	0.718	27%	0.266	S	S	*	.			trans	-87.5	22.1	170.4	68.8	0	0	0	0	111.8
163	G	78	Confident	83.4	Confident	37 Å²	37	50.7 Å²	50.7	38%	0.381	27%	0.272	S	S	.	.	S	Bend	trans	-80.8	175.8	178.3	0	0	0	0	0	113.2	D161 K165	D161-G163 PolarHBondContact O-N 2.56Å; D161-G163 WeakPolarHBondContact OD1-CA 3.33Å; D161-G163 PolarHBondContact OD1-N 2.87Å; G163-K165 PolarHBondContact O-N 2.9Å
164	A	91.8	Very high	82.8	Confident	47 Å²	47	50 Å²	50	39%	0.388	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-65.6	125	169.7	0	0	0	0	0	109.5	G241 D243 R246	A164-G241 CarbonylContact C-O 3.22Å; A164-G241 WeakPolarHBondContact CA-O 3.42Å; A164-D243 HydrophobicContact CB-CB 3.83Å; A164-R246 PolarHBondContact O-NH2 3.47Å
165	K	95.4	Very high	82.3	Confident	14 Å²	14	49.9 Å²	49.9	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	146	-169	-55.7	-178.6	-168.1	-69.5	0	111.3	P154 E156 D157 G163 N194 I196 G241 G242 D243	P154-K165 HydrophobicContact CG-CD 3.75Å; E156-K165 PolarHBondContact O-NZ 3.23Å; D157-K165 IonicContact OD1-NZ 3.47Å; D157-K165 PolarHBondContact OD1-NZ 2.88Å; G163-K165 PolarHBondContact O-N 2.9Å; K165-N194 WeakPolarHBondContact CD-OD1 3.45Å; K165-N194 PolarHBondContact NZ-OD1 3.35Å; K165-I196 HydrophobicContact CB-CG1 4.29Å; K165-G241 PolarHBondContact N-O 3.24Å; K165-G242 CarbonylContact O-C 3.54Å; K165-G242 VanDerWaalsContact O-CA 3.31Å; K165-G242 WeakPolarHBondContact O-CA 3.49Å; K165-D243 PolarHBondContact O-N 3.34Å
166	P	97.9	Very high	82.4	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	155.1	171.5	-13.6	24.5	0	0	0	111.7	V195 I196 R246 K531	P166-V195 HydrophobicContact CB-CG1 4.06Å; P166-V195 HydrophobicContact CG-CG1 4.07Å; P166-I196 PolarHBondContact O-N 3.23Å; P166-R246 HydrophobicContact CB-CB 4.3Å; P166-K531 HydrophobicContact CB-CG 4.49Å; P166-K531 HydrophobicContact CG-CB 4.24Å; P166-K531 HydrophobicContact CG-CG 3.55Å
167	V	98.9	Very high	83.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.2	-174.7	-173.6	0	0	0	0	109.6	V169 I196 I198 I233 I237 R246 I247 T248	V167-V169 HydrophobicContact CG1-CG2 4.02Å; V167-I196 CarbonylContact C-O 3.59Å; V167-I196 WeakPolarHBondContact CA-O 3.38Å; V167-I198 HydrophobicContact CG1-CD1 3.66Å; V167-I198 HydrophobicContact CG1-CG1 4.16Å; V167-I233 HydrophobicContact CG1-CG2 4.17Å; V167-I237 HydrophobicContact CG1-CG1 4.13Å; V167-I237 HydrophobicContact CG2-CG1 3.76Å; V167-I237 HydrophobicContact CG2-CG2 4.03Å; V167-R246 PolarHBondContact N-O 3.14Å; V167-I247 HydrophobicContact CB-CG1 4.07Å; V167-I247 HydrophobicContact CG1-CG1 4.47Å; V167-I247 HydrophobicContact CG2-CG1 4.48Å; V167-I247 WeakPolarHBondContact O-CA 3.43Å; V167-T248 PolarHBondContact O-N 3.48Å
168	M	98.9	Very high	84.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.1	177.1	-66	-169.8	70	0	0	109.9	V195 I196 V197 I198 T248 F250 I276 W526 T527 A530	M168-V195 HydrophobicContact CG-CG2 4.34Å; M168-V195 HydrophobicContact SD-CG2 4.06Å; M168-I196 PolarHBondContact N-O 2.6Å; M168-V197 CarbonylContact O-C 2.98Å; M168-V197 WeakPolarHBondContact O-CA 3.3Å; M168-I198 PolarHBondContact O-N 3.31Å; M168-T248 CarbonylContact C-O 3.45Å; M168-T248 WeakPolarHBondContact CA-O 3.23Å; M168-F250 HydrophobicContact CB-CD1 4.24Å; M168-F250 HydrophobicContact CB-CE1 3.72Å; M168-F250 HydrophobicContact CB-CZ 4.44Å; M168-F250 HydrophobicContact CE-CD1 4.26Å; M168-F250 HydrophobicContact CE-CE1 4.2Å; M168-F250 HydrophobicContact CE-CE2 4.43Å; M168-F250 HydrophobicContact CE-CG 4.44Å; M168-F250 HydrophobicContact CE-CZ 4.28Å; M168-I276 HydrophobicContact CE-CD1 3.96Å; M168-W526 HydrophobicContact CE-CB 4.31Å; M168-T527 HydrophobicContact SD-CG2 4.01Å; M168-A530 HydrophobicContact CE-CB 4.34Å; M168-A530 HydrophobicContact CG-CB 3.63Å; M168-A530 HydrophobicContact SD-CB 3.73Å
169	V	98.9	Very high	86.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	110.2	-174.1	-173.7	0	0	0	0	109.7	V167 I198 L200 L230 I233 I247 T248 V249 F250	V167-V169 HydrophobicContact CG1-CG2 4.02Å; V169-I198 HydrophobicContact CG2-CB 4.42Å; V169-I198 HydrophobicContact CG2-CD1 4.38Å; V169-L200 HydrophobicContact CG1-CD2 3.79Å; V169-L230 HydrophobicContact CB-CD2 4.33Å; V169-L230 HydrophobicContact CG1-CD2 4.08Å; V169-L230 HydrophobicContact CG2-CD2 4.28Å; V169-I233 HydrophobicContact CG1-CD1 3.81Å; V169-I233 HydrophobicContact CG2-CD1 3.89Å; V169-I233 HydrophobicContact CG2-CG2 4.41Å; V169-I247 HydrophobicContact CG2-CG2 3.89Å; V169-T248 PolarHBondContact N-O 2.99Å; V169-V249 WeakPolarHBondContact O-CA 3.27Å; V169-F250 WeakPolarHBondContact O-CD1 3.42Å; V169-F250 PolarHBondContact O-N 3.07Å
170	Y	98.9	Very high	88.5	Confident	3 Å²	3	29.4 Å²	29.4	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.8	-179	-172.1	-111.7	0	0	0	112.2	H172 I184 I198 T199 F250 F496	Y170-H172 HydrophobicContact CE1-CB 4.03Å; Y170-I184 HydrophobicContact CD1-CB 4.44Å; Y170-I184 HydrophobicContact CD1-CG1 4.36Å; Y170-I184 HydrophobicContact CD1-CG2 4.29Å; Y170-I184 HydrophobicContact CE1-CB 4.38Å; Y170-I184 HydrophobicContact CE1-CG1 3.81Å; Y170-I184 HydrophobicContact CE1-CG2 4.38Å; Y170-I198 PolarHBondContact N-O 3.35Å; Y170-T199 HydrophobicContact CD1-CG2 4.49Å; Y170-F250 CarbonylContact C-O 3.55Å; Y170-F250 VanDerWaalsContact CA-O 3.3Å; Y170-F250 WeakPolarHBondContact CA-O 3.5Å; Y170-F250 HydrophobicContact CD2-CD1 4.28Å; Y170-F250 AromaticContact CD2-CD2 3.73Å; Y170-F250 HydrophobicContact CD2-CD2 3.73Å; Y170-F250 HydrophobicContact CD2-CE1 4.18Å; Y170-F250 AromaticContact CD2-CE2 3.65Å; Y170-F250 HydrophobicContact CD2-CE2 3.65Å; Y170-F250 HydrophobicContact CD2-CG 4.05Å; Y170-F250 AromaticContact CD2-CZ 3.88Å; Y170-F250 HydrophobicContact CD2-CZ 3.88Å; Y170-F250 WeakPolarHBondContact CD2-O 3.4Å; Y170-F250 HydrophobicContact CE2-CD2 4.32Å; Y170-F250 HydrophobicContact CE2-CE2 4.34Å; Y170-F250 HydrophobicContact CG-CE1 4.41Å; Y170-F250 HydrophobicContact CG-CE2 4.43Å; Y170-F250 HydrophobicContact CG-CZ 4.24Å; Y170-F496 HydrophobicContact CD1-CZ 4.15Å; Y170-F496 HydrophobicContact CD2-CE2 4.03Å; Y170-F496 AromaticContact CD2-CZ 3.59Å; Y170-F496 HydrophobicContact CD2-CZ 3.59Å; Y170-F496 HydrophobicContact CE1-CE2 4.49Å; Y170-F496 HydrophobicContact CE1-CZ 4.43Å; Y170-F496 AromaticContact CE2-CE2 3.84Å; Y170-F496 HydrophobicContact CE2-CE2 3.84Å; Y170-F496 AromaticContact CE2-CZ 3.9Å; Y170-F496 HydrophobicContact CE2-CZ 3.9Å; Y170-F496 HydrophobicContact CG-CE2 4.42Å; Y170-F496 AromaticContact CG-CZ 3.71Å; Y170-F496 HydrophobicContact CG-CZ 3.71Å
171	I	98.8	Very high	90.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.1	168.3	-54.9	-176.6	0	0	0	107.5	L200 Y202 Q226 V249 F250 G251 C258 V259 L262	I171-L200 HydrophobicContact CG1-CD2 4.43Å; I171-Y202 HydrophobicContact CG2-CD1 4.32Å; I171-Y202 HydrophobicContact CG2-CE1 3.77Å; I171-Q226 HydrophobicContact CD1-CB 4.27Å; I171-Q226 HydrophobicContact CD1-CG 4.15Å; I171-Q226 HydrophobicContact CG2-CG 4.41Å; I171-V249 HydrophobicContact CD1-CG1 3.64Å; I171-V249 HydrophobicContact CG1-CG1 3.95Å; I171-F250 PolarHBondContact N-O 3.42Å; I171-G251 VanDerWaalsContact O-CA 3.29Å; I171-G251 WeakPolarHBondContact O-CA 3.34Å; I171-C258 HydrophobicContact CD1-CB 4.48Å; I171-C258 HydrophobicContact CG2-CB 3.85Å; I171-V259 HydrophobicContact CD1-CG2 4.3Å; I171-L262 HydrophobicContact CD1-CD1 3.41Å; I171-L262 VanDerWaalsContact CD1-CD1 3.41Å
172	H	97.4	Very high	92.5	Very high	8 Å²	8	15.5 Å²	15.5	4%	0.037	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-70.9	152.7	-177.9	66.4	80.8	0	0	0	112.3	Y170 G181 L200 Y202 G255	Y170-H172 HydrophobicContact CE1-CB 4.03Å; H172-G181 PolarHBondContact CD2-N 3.03Å; H172-L200 PolarHBondContact CD2-O 3.05Å; H172-Y202 AromaticContact CD2-CE1 3.79Å; H172-Y202 AromaticContact CE1-CE1 3.49Å; H172-Y202 VanDerWaalsContact CE1-CE1 3.49Å; H172-Y202 WeakPolarHBondContact CE1-CE1 3.48Å; H172-Y202 AromaticContact CE1-CZ 3.8Å; H172-Y202 AromaticContact ND1-CE1 3.97Å; H172-Y202 AromaticContact NE2-CD1 3.69Å; H172-Y202 AromaticContact NE2-CE1 3.39Å; H172-Y202 WeakPolarHBondContact NE2-CE1 3.34Å; H172-Y202 PolarHBondContact O-OH 2.98Å; H172-G255 WeakPolarHBondContact O-CA 3.21Å
173	G	87.6	Confident	94.2	Very high	13 Å²	13	10.4 Å²	10.4	13%	0.134	7%	0.073	C	C	.	.			trans	-83.3	-165.1	167.2	0	0	0	0	0	113.3	S252	G173-S252 WeakPolarHBondContact CA-O 3.33Å
174	G	85.8	Confident	95.1	Very high	2 Å²	2	8.9 Å²	8.9	2%	0.021	6%	0.056	C	C	.	.	S	Bend	trans	143.1	-157.7	-166.5	0	0	0	0	0	107.9	M124 I254	M124-G174 VanDerWaalsContact SD-CA 3.59Å; G174-I254 VanDerWaalsContact O-CB 3.26Å; G174-I254 WeakPolarHBondContact O-CB 3.3Å; G174-I254 WeakPolarHBondContact O-CG1 3.3Å
175	S	85.7	Confident	95.3	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.021	5%	0.053	C	C	.	.	S	Bend	trans	-108.4	25.1	168.3	69.4	0	0	0	0	112.2	M124 M177 E178	M124-S175 PolarHBondContact SD-N 2.77Å; S175-M177 PolarHBondContact O-N 2.81Å; S175-M177 WeakPolarHBondContact OG-CB 3.3Å; S175-E178 WeakPolarHBondContact CA-OE1 3.41Å; S175-E178 WeakPolarHBondContact CB-OE1 3.29Å; S175-E178 PolarHBondContact N-OE1 3.12Å; S175-E178 PolarHBondContact OG-OE1 2.94Å; S175-E178 PolarHBondContact OG-OE2 2.72Å
176	Y	94.3	Very high	95.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	64.6	-16.8	-156	-59	-75	0	0	0	115.2	V204 G205 F209 I254 W286 A287 V337 P341	Y176-V204 CarbonylContact O-C 3.54Å; Y176-V204 WeakPolarHBondContact O-CA 3.12Å; Y176-V204 VanDerWaalsContact O-CB 3.27Å; Y176-V204 WeakPolarHBondContact O-CB 3.3Å; Y176-G205 PolarHBondContact O-N 3.23Å; Y176-F209 HydrophobicContact CD1-CE1 4.39Å; Y176-F209 AromaticContact CD1-CE2 3.96Å; Y176-F209 HydrophobicContact CD1-CE2 3.96Å; Y176-F209 AromaticContact CD1-CZ 3.77Å; Y176-F209 HydrophobicContact CD1-CZ 3.77Å; Y176-F209 HydrophobicContact CE1-CZ 4.4Å; Y176-F209 HydrophobicContact CG-CE2 4.34Å; Y176-I254 HydrophobicContact CD1-CG2 3.37Å; Y176-I254 HydrophobicContact CD2-CD1 4.18Å; Y176-I254 HydrophobicContact CD2-CG2 3.89Å; Y176-I254 HydrophobicContact CE1-CG2 3.35Å; Y176-I254 HydrophobicContact CE2-CD1 3.72Å; Y176-I254 HydrophobicContact CE2-CG1 4.44Å; Y176-I254 HydrophobicContact CE2-CG2 3.9Å; Y176-I254 HydrophobicContact CG-CG2 3.65Å; Y176-W286 WeakPolarHBondContact CE2-O 3.33Å; Y176-A287 WeakPolarHBondContact CE2-O 3.48Å; Y176-A287 PolarHBondContact OH-O 3.35Å; Y176-V337 HydrophobicContact CD2-CG1 4.12Å; Y176-V337 HydrophobicContact CD2-CG2 4.4Å; Y176-P341 HydrophobicContact CD1-CG 4.37Å; Y176-P341 HydrophobicContact CE1-CG 3.59Å; Y176-P341 VanDerWaalsContact CE2-CD 3.46Å; Y176-P341 HydrophobicContact CE2-CG 4.34Å; Y176-P341 WeakPolarHBondContact OH-CG 3.31Å
177	M	93.1	Very high	95.5	Very high	59 Å²	59	8.8 Å²	8.8	29%	0.291	5%	0.05	S	C	.	.	S	Bend	trans	-84.9	-26.9	-175.9	-61.9	-66.2	-65	0	0	114.2	S175 G205 F339	S175-M177 PolarHBondContact O-N 2.81Å; S175-M177 WeakPolarHBondContact OG-CB 3.3Å; M177-G205 VanDerWaalsContact SD-CA 3.51Å; M177-F339 HydrophobicContact CE-CD2 4.3Å; M177-F339 HydrophobicContact SD-CB 4Å; M177-F339 HydrophobicContact SD-CD2 4.13Å
178	E	92.4	Very high	95.4	Very high	6 Å²	6	8.9 Å²	8.9	3%	0.028	5%	0.051	C	C	.	.	S	Bend	trans	-142.9	174.8	-176.4	64.6	-71.3	102.4	0	0	112.3	Q113 I115 M124 F128 S175	Q113-E178 HydrophobicContact CB-CB 4.18Å; I115-E178 HydrophobicContact CG2-CB 3.85Å; I115-E178 HydrophobicContact CG2-CG 3.93Å; M124-E178 HydrophobicContact CE-CG 3.85Å; F128-E178 HydrophobicContact CE1-CG 4.35Å; F128-E178 HydrophobicContact CZ-CG 3.89Å; S175-E178 WeakPolarHBondContact CA-OE1 3.41Å; S175-E178 WeakPolarHBondContact CB-OE1 3.29Å; S175-E178 PolarHBondContact N-OE1 3.12Å; S175-E178 PolarHBondContact OG-OE1 2.94Å; S175-E178 PolarHBondContact OG-OE2 2.72Å
179	G	94.3	Very high	95.4	Very high	4 Å²	4	8.9 Å²	8.9	4%	0.041	5%	0.051	C	C	.	.			trans	119.2	167.2	-178.8	0	0	0	0	0	113.2	Q113	Q113-G179 PolarHBondContact NE2-O 2.78Å; Q113-G179 PolarHBondContact OE1-O 3.01Å
180	T	97.8	Very high	95.4	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.012	5%	0.051	C	C	.	.			trans	-160.6	146.2	172.4	170.6	0	0	0	0	110.6	V110 I139 N182 M183 N201	V110-T180 HydrophobicContact CG1-CG2 3.94Å; V110-T180 WeakPolarHBondContact CG1-OG1 3.43Å; I139-T180 HydrophobicContact CG2-CG2 3.97Å; T180-N182 HydrophobicContact CG2-CB 4.1Å; T180-N182 PolarHBondContact O-N 3.42Å; T180-N182 VanDerWaalsContact OG1-CB 3.29Å; T180-N182 WeakPolarHBondContact OG1-CB 3.24Å; T180-N182 PolarHBondContact OG1-N 3.43Å; T180-N182 PolarHBondContact OG1-ND2 2.83Å; T180-M183 HydrophobicContact CG2-CE 3.71Å; T180-M183 HydrophobicContact CG2-CG 3.77Å; T180-M183 HydrophobicContact CG2-SD 3.85Å; T180-M183 PolarHBondContact O-N 3Å; T180-N201 WeakPolarHBondContact CA-OD1 3.41Å; T180-N201 WeakPolarHBondContact CB-OD1 3.3Å; T180-N201 PolarHBondContact OG1-OD1 2.79Å
181	G	97.7	Very high	95.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-64.5	-15.7	169.2	0	0	0	0	0	113.5	H172 M183 I184 T199 N201	H172-G181 PolarHBondContact CD2-N 3.03Å; G181-M183 VanDerWaalsContact C-N 3.27Å; G181-M183 PolarHBondContact O-N 3.01Å; G181-I184 PolarHBondContact O-N 2.91Å; G181-T199 VanDerWaalsContact O-CB 3.3Å; G181-T199 WeakPolarHBondContact O-CB 3.09Å; G181-T199 PolarHBondContact O-OG1 3.25Å; G181-N201 PolarHBondContact N-OD1 3.48Å
182	N	97.8	Very high	95.1	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.043	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-70.2	-20.1	-179.9	-58.9	-9.9	0	0	0	113	F107 A108 Y138 N150 T180 I184 N201	F107-N182 HydrophobicContact CD1-CB 3.79Å; F107-N182 VanDerWaalsContact CD1-CG 3.47Å; F107-N182 VanDerWaalsContact CD1-OD1 3.32Å; F107-N182 WeakPolarHBondContact CD1-OD1 3.32Å; F107-N182 HydrophobicContact CD2-CB 4.26Å; F107-N182 HydrophobicContact CE1-CB 3.96Å; F107-N182 HydrophobicContact CE2-CB 4.4Å; F107-N182 HydrophobicContact CG-CB 3.95Å; F107-N182 HydrophobicContact CZ-CB 4.26Å; F107-N182 WeakPolarHBondContact CZ-O 3.45Å; A108-N182 PolarHBondContact O-ND2 3Å; Y138-N182 WeakPolarHBondContact CD1-O 3.43Å; Y138-N182 WeakPolarHBondContact CE1-O 3.33Å; N150-N182 PolarHBondContact ND2-OD1 2.73Å; T180-N182 HydrophobicContact CG2-CB 4.1Å; T180-N182 PolarHBondContact O-N 3.42Å; T180-N182 VanDerWaalsContact OG1-CB 3.29Å; T180-N182 WeakPolarHBondContact OG1-CB 3.24Å; T180-N182 PolarHBondContact OG1-N 3.43Å; T180-N182 PolarHBondContact OG1-ND2 2.83Å; N182-I184 VanDerWaalsContact C-N 3.26Å; N182-I184 PolarHBondContact O-N 2.82Å; N182-N201 PolarHBondContact OD1-ND2 2.85Å
183	M	96.1	Very high	95.1	Very high	9 Å²	9	11.2 Å²	11.2	4%	0.044	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-72.1	-16.2	178	-78.2	163.1	-175.2	0	0	113.9	F128 V135 Y138 I139 T180 G181 L506	F128-M183 HydrophobicContact CD2-SD 4.19Å; F128-M183 HydrophobicContact CE2-CE 3.98Å; F128-M183 HydrophobicContact CE2-SD 3.87Å; V135-M183 HydrophobicContact CB-CE 4.24Å; V135-M183 HydrophobicContact CG1-CE 3.6Å; V135-M183 HydrophobicContact CG2-CE 4.48Å; Y138-M183 HydrophobicContact CD1-CB 4.5Å; Y138-M183 HydrophobicContact CD1-CG 4Å; Y138-M183 HydrophobicContact CD2-CG 4.14Å; Y138-M183 HydrophobicContact CG-CG 3.71Å; I139-M183 HydrophobicContact CG2-CE 3.56Å; T180-M183 HydrophobicContact CG2-CE 3.71Å; T180-M183 HydrophobicContact CG2-CG 3.77Å; T180-M183 HydrophobicContact CG2-SD 3.85Å; T180-M183 PolarHBondContact O-N 3Å; G181-M183 VanDerWaalsContact C-N 3.27Å; G181-M183 PolarHBondContact O-N 3.01Å; M183-L506 HydrophobicContact CB-CD2 3.92Å; M183-L506 HydrophobicContact CG-CD2 4.32Å; M183-L506 VanDerWaalsContact O-CD2 3.27Å; M183-L506 WeakPolarHBondContact O-CD2 3.46Å
184	I	96.4	Very high	95.5	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.026	6%	0.064	C	C	.	.	S	Bend	trans	-117.2	110.8	-169.2	-61.5	-60.1	0	0	0	109.3	W127 Y170 G181 N182 G186 T199 V492 F496 F507	W127-I184 HydrophobicContact CH2-CD1 4.39Å; Y170-I184 HydrophobicContact CD1-CB 4.44Å; Y170-I184 HydrophobicContact CD1-CG1 4.36Å; Y170-I184 HydrophobicContact CD1-CG2 4.29Å; Y170-I184 HydrophobicContact CE1-CB 4.38Å; Y170-I184 HydrophobicContact CE1-CG1 3.81Å; Y170-I184 HydrophobicContact CE1-CG2 4.38Å; G181-I184 PolarHBondContact O-N 2.91Å; N182-I184 VanDerWaalsContact C-N 3.26Å; N182-I184 PolarHBondContact O-N 2.82Å; I184-G186 PolarHBondContact O-N 3.3Å; I184-T199 HydrophobicContact CB-CG2 4.39Å; I184-T199 HydrophobicContact CG2-CG2 4.36Å; I184-V492 HydrophobicContact CD1-CG1 4.05Å; I184-F496 HydrophobicContact CG2-CD1 3.43Å; I184-F496 VanDerWaalsContact CG2-CD1 3.43Å; I184-F496 HydrophobicContact CG2-CD2 3.73Å; I184-F496 HydrophobicContact CG2-CE1 3.32Å; I184-F496 HydrophobicContact CG2-CE2 3.62Å; I184-F496 HydrophobicContact CG2-CG 3.64Å; I184-F496 HydrophobicContact CG2-CZ 3.43Å; I184-F496 VanDerWaalsContact CG2-CZ 3.43Å; I184-F507 HydrophobicContact CD1-CE2 4.5Å; I184-F507 HydrophobicContact CD1-CZ 4.21Å
185	D	97.4	Very high	96	Very high	61 Å²	61	12.1 Å²	12.1	33%	0.326	6%	0.063	S	C	.	.			trans	-80.7	109.5	176	-170.6	-7.2	0	0	0	110.7	Y152 S187	Y152-D185 WeakPolarHBondContact CE1-OD1 3.18Å; D185-S187 PolarHBondContact O-N 2.85Å; D185-S187 WeakPolarHBondContact OD1-CB 3.3Å; D185-S187 PolarHBondContact OD1-N 3.24Å; D185-S187 PolarHBondContact OD1-OG 3.31Å
186	G	98.3	Very high	96.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.			trans	-71.2	-8.6	176.4	0	0	0	0	0	114.8	I184 V188 L189 A190	I184-G186 PolarHBondContact O-N 3.3Å; G186-V188 PolarHBondContact O-N 2.91Å; G186-L189 PolarHBondContact O-N 2.8Å; G186-A190 VanDerWaalsContact O-CB 3.29Å; G186-A190 WeakPolarHBondContact O-CB 3.2Å; G186-A190 PolarHBondContact O-N 3.42Å
187	S	98.3	Very high	96.9	Very high	1 Å²	1	12 Å²	12	1%	0.007	6%	0.062	C	C	.	.	H	α-helix	trans	-62	-43.1	-167.4	-56.4	0	0	0	0	114.1	V71 Q73 Y152 D185 A190 S191	V71-S187 WeakPolarHBondContact CG2-O 3.37Å; Q73-S187 PolarHBondContact NE2-OG 2.92Å; Y152-S187 VanDerWaalsContact CD1-OG 3.24Å; Y152-S187 WeakPolarHBondContact CD1-OG 3.08Å; D185-S187 PolarHBondContact O-N 2.85Å; D185-S187 WeakPolarHBondContact OD1-CB 3.3Å; D185-S187 PolarHBondContact OD1-N 3.24Å; D185-S187 PolarHBondContact OD1-OG 3.31Å; S187-A190 PolarHBondContact O-N 3.16Å; S187-S191 VanDerWaalsContact O-CB 3.3Å; S187-S191 WeakPolarHBondContact O-CB 3.33Å; S187-S191 PolarHBondContact O-N 2.91Å
188	V	98.1	Very high	97.2	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.018	5%	0.048	C	C	.	.	H	α-helix	trans	-69	-45.3	-178.6	-179.1	0	0	0	0	110.7	L63 L68 G186 A190 S191 Y192 M500 I501 M523	L63-V188 HydrophobicContact CD2-CG2 4.08Å; L68-V188 HydrophobicContact CD1-CG1 3.86Å; G186-V188 PolarHBondContact O-N 2.91Å; V188-A190 VanDerWaalsContact C-N 3.34Å; V188-A190 PolarHBondContact O-N 2.99Å; V188-S191 PolarHBondContact O-N 2.78Å; V188-Y192 WeakPolarHBondContact O-CB 3.34Å; V188-Y192 PolarHBondContact O-N 2.79Å; V188-M500 HydrophobicContact CG1-CB 4.3Å; V188-M500 HydrophobicContact CG1-SD 4.23Å; V188-I501 HydrophobicContact CG2-CD1 4.42Å; V188-I501 HydrophobicContact CG2-CG2 3.66Å; V188-M523 HydrophobicContact CG1-CE 4.25Å; V188-M523 HydrophobicContact CG1-SD 4.44Å
189	L	98.5	Very high	97.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62	-40	175.7	175.9	61.3	0	0	0	111.9	G186 G193 V197 F250 F496 M523 T527	G186-L189 PolarHBondContact O-N 2.8Å; L189-G193 WeakPolarHBondContact O-CA 3.31Å; L189-G193 PolarHBondContact O-N 2.87Å; L189-V197 HydrophobicContact CB-CG2 4.05Å; L189-V197 HydrophobicContact CD2-CG1 4.48Å; L189-V197 HydrophobicContact CD2-CG2 3.86Å; L189-V197 HydrophobicContact CG-CG2 3.72Å; L189-F250 HydrophobicContact CD2-CE2 4.33Å; L189-F250 HydrophobicContact CD2-CZ 3.91Å; L189-F496 HydrophobicContact CB-CD1 4.49Å; L189-F496 HydrophobicContact CD2-CD1 4.11Å; L189-F496 HydrophobicContact CD2-CE1 3.96Å; L189-M523 HydrophobicContact CB-SD 4.2Å; L189-M523 HydrophobicContact CD1-CB 4.15Å; L189-M523 HydrophobicContact CD1-CG 3.87Å; L189-M523 HydrophobicContact CD1-SD 3.99Å; L189-T527 HydrophobicContact CD1-CG2 3.56Å
190	A	98.2	Very high	97.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63	-51.4	176.1	0	0	0	0	0	111.9	P154 G186 S187 V188 N194 V195 V197	P154-A190 WeakPolarHBondContact CB-O 3.37Å; G186-A190 VanDerWaalsContact O-CB 3.29Å; G186-A190 WeakPolarHBondContact O-CB 3.2Å; G186-A190 PolarHBondContact O-N 3.42Å; S187-A190 PolarHBondContact O-N 3.16Å; V188-A190 VanDerWaalsContact C-N 3.34Å; V188-A190 PolarHBondContact O-N 2.99Å; A190-N194 WeakPolarHBondContact O-CA 3.3Å; A190-N194 PolarHBondContact O-N 2.55Å; A190-V195 VanDerWaalsContact CA-O 3.23Å; A190-V195 WeakPolarHBondContact CA-O 3.23Å; A190-V195 WeakPolarHBondContact CB-O 3.43Å; A190-V195 PolarHBondContact O-N 2.95Å; A190-V197 HydrophobicContact CB-CB 4.3Å; A190-V197 HydrophobicContact CB-CG2 3.88Å
191	S	96.8	Very high	97.7	Very high	16 Å²	16	8.7 Å²	8.7	11%	0.112	5%	0.045	C	C	.	.	H	α-helix	trans	-64.8	-52.1	-179.4	-175.7	0	0	0	0	112.2	G69 S187 V188 G193	G69-S191 PolarHBondContact N-OG 2.99Å; G69-S191 PolarHBondContact O-OG 2.84Å; S187-S191 VanDerWaalsContact O-CB 3.3Å; S187-S191 WeakPolarHBondContact O-CB 3.33Å; S187-S191 PolarHBondContact O-N 2.91Å; V188-S191 PolarHBondContact O-N 2.78Å; S191-G193 VanDerWaalsContact C-N 3.35Å; S191-G193 PolarHBondContact O-N 3.06Å
192	Y	96	Very high	97.8	Very high	43 Å²	43	8.8 Å²	8.8	17%	0.169	5%	0.045	C	C	.	.	H	α-helix	trans	-61.4	-42.7	177	-177.5	-84.8	0	0	0	112.2	L68 V188 M500 A520 M523 T524 I546	L68-Y192 HydrophobicContact CD2-CD2 4.42Å; V188-Y192 WeakPolarHBondContact O-CB 3.34Å; V188-Y192 PolarHBondContact O-N 2.79Å; Y192-M500 HydrophobicContact CD2-CE 3.72Å; Y192-M500 HydrophobicContact CD2-SD 3.85Å; Y192-M500 HydrophobicContact CE2-CE 3.66Å; Y192-M500 HydrophobicContact CE2-SD 4.35Å; Y192-A520 HydrophobicContact CE2-CB 4.07Å; Y192-A520 PolarHBondContact OH-O 3.29Å; Y192-A520 VanDerWaalsContact OH-O 3.05Å; Y192-M523 HydrophobicContact CD1-CB 3.59Å; Y192-M523 HydrophobicContact CD1-CE 3.92Å; Y192-M523 HydrophobicContact CD1-SD 4.33Å; Y192-M523 HydrophobicContact CD2-CE 3.9Å; Y192-M523 HydrophobicContact CE1-CB 3.76Å; Y192-M523 HydrophobicContact CE1-CE 4.48Å; Y192-M523 HydrophobicContact CE2-CE 4.46Å; Y192-M523 HydrophobicContact CG-CB 4.44Å; Y192-M523 HydrophobicContact CG-CE 3.62Å; Y192-M523 HydrophobicContact CG-SD 4.33Å; Y192-T524 PolarHBondContact OH-OG1 2.73Å; Y192-I546 HydrophobicContact CD2-CD1 3.65Å; Y192-I546 HydrophobicContact CD2-CG1 4.41Å; Y192-I546 HydrophobicContact CE2-CD1 3.88Å; Y192-I546 HydrophobicContact CE2-CG1 4.24Å; Y192-I546 HydrophobicContact CE2-CG2 3.94Å
193	G	95.9	Very high	97.8	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-77.5	-23.7	-174.6	0	0	0	0	0	114.7	L189 S191 V195 K531	L189-G193 WeakPolarHBondContact O-CA 3.31Å; L189-G193 PolarHBondContact O-N 2.87Å; S191-G193 VanDerWaalsContact C-N 3.35Å; S191-G193 PolarHBondContact O-N 3.06Å; G193-V195 VanDerWaalsContact C-N 3.27Å; G193-K531 WeakPolarHBondContact O-CE 3.41Å; G193-K531 PolarHBondContact O-NZ 3.05Å
194	N	95.8	Very high	97.9	Very high	33 Å²	33	8.5 Å²	8.5	18%	0.176	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	51.9	-158.5	-173.8	24.7	0	0	0	111.1	E156 K165 A190	E156-N194 PolarHBondContact O-OD1 2.83Å; K165-N194 WeakPolarHBondContact CD-OD1 3.45Å; K165-N194 PolarHBondContact NZ-OD1 3.35Å; A190-N194 WeakPolarHBondContact O-CA 3.3Å; A190-N194 PolarHBondContact O-N 2.55Å
195	V	97.8	Very high	97.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-130.9	153.3	175.9	-62.4	0	0	0	0	109	P154 P166 M168 A190 G193 V197 T527	P154-V195 VanDerWaalsContact CD-O 3.27Å; P154-V195 WeakPolarHBondContact CD-O 3.46Å; P154-V195 WeakPolarHBondContact CG-O 3.15Å; P166-V195 HydrophobicContact CB-CG1 4.06Å; P166-V195 HydrophobicContact CG-CG1 4.07Å; M168-V195 HydrophobicContact CG-CG2 4.34Å; M168-V195 HydrophobicContact SD-CG2 4.06Å; A190-V195 VanDerWaalsContact CA-O 3.23Å; A190-V195 WeakPolarHBondContact CA-O 3.23Å; A190-V195 WeakPolarHBondContact CB-O 3.43Å; A190-V195 PolarHBondContact O-N 2.95Å; G193-V195 VanDerWaalsContact C-N 3.27Å; V195-V197 HydrophobicContact CG2-CG2 4.08Å; V195-T527 HydrophobicContact CG1-CG2 4.33Å; V195-T527 HydrophobicContact CG2-CG2 4.04Å
196	I	98.8	Very high	97.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.1	168.4	-59.1	-178.5	0	0	0	107.9	I151 Y152 V153 K165 P166 V167 M168 I198 I237 F240	I151-I196 HydrophobicContact CG2-CG2 3.57Å; Y152-I196 WeakPolarHBondContact O-CA 3.45Å; V153-I196 HydrophobicContact CG1-CD1 4.26Å; V153-I196 HydrophobicContact CG1-CG1 4.29Å; V153-I196 HydrophobicContact CG2-CD1 4.33Å; V153-I196 HydrophobicContact CG2-CG1 4.5Å; V153-I196 HydrophobicContact CG2-CG2 4.28Å; K165-I196 HydrophobicContact CB-CG1 4.29Å; P166-I196 PolarHBondContact O-N 3.23Å; V167-I196 CarbonylContact C-O 3.59Å; V167-I196 WeakPolarHBondContact CA-O 3.38Å; M168-I196 PolarHBondContact N-O 2.6Å; I196-I198 HydrophobicContact CG2-CG1 4.22Å; I196-I237 HydrophobicContact CD1-CD1 4.44Å; I196-I237 HydrophobicContact CD1-CG1 4.36Å; I196-I237 HydrophobicContact CG2-CD1 4.15Å; I196-F240 HydrophobicContact CD1-CB 4.14Å; I196-F240 WeakPolarHBondContact CD1-O 3.36Å
197	V	98.9	Very high	97.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.8	172.4	-178.3	0	0	0	0	108.9	Y152 M168 L189 A190 V195 F496	Y152-V197 PolarHBondContact N-O 2.98Å; Y152-V197 PolarHBondContact O-N 3.05Å; Y152-V197 VanDerWaalsContact O-N 3.11Å; M168-V197 CarbonylContact O-C 2.98Å; M168-V197 WeakPolarHBondContact O-CA 3.3Å; L189-V197 HydrophobicContact CB-CG2 4.05Å; L189-V197 HydrophobicContact CD2-CG1 4.48Å; L189-V197 HydrophobicContact CD2-CG2 3.86Å; L189-V197 HydrophobicContact CG-CG2 3.72Å; A190-V197 HydrophobicContact CB-CB 4.3Å; A190-V197 HydrophobicContact CB-CG2 3.88Å; V195-V197 HydrophobicContact CG2-CG2 4.08Å; V197-F496 HydrophobicContact CG1-CE1 4.44Å
198	I	98.9	Very high	97.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.3	176	-53.7	-177.4	0	0	0	108.4	L149 N150 I151 V167 M168 V169 Y170 I196 I233 I237	L149-I198 HydrophobicContact CB-CG2 4.23Å; L149-I198 HydrophobicContact CD1-CG2 4.16Å; L149-I198 HydrophobicContact CD2-CG2 4.45Å; N150-I198 CarbonylContact O-C 3.53Å; N150-I198 VanDerWaalsContact O-CA 3.25Å; N150-I198 WeakPolarHBondContact O-CA 3.38Å; N150-I198 WeakPolarHBondContact O-CG2 3.36Å; I151-I198 HydrophobicContact CG1-CG1 4.48Å; I151-I198 HydrophobicContact CG2-CG1 4.3Å; V167-I198 HydrophobicContact CG1-CD1 3.66Å; V167-I198 HydrophobicContact CG1-CG1 4.16Å; M168-I198 PolarHBondContact O-N 3.31Å; V169-I198 HydrophobicContact CG2-CB 4.42Å; V169-I198 HydrophobicContact CG2-CD1 4.38Å; Y170-I198 PolarHBondContact N-O 3.35Å; I196-I198 HydrophobicContact CG2-CG1 4.22Å; I198-I233 HydrophobicContact CD1-CB 4.45Å; I198-I233 HydrophobicContact CD1-CD1 3.88Å; I198-I233 HydrophobicContact CD1-CG1 3.79Å; I198-I233 HydrophobicContact CD1-CG2 3.78Å; I198-I233 HydrophobicContact CG2-CD1 4.08Å; I198-I237 HydrophobicContact CD1-CD1 3.67Å; I198-I237 HydrophobicContact CD1-CG1 4.32Å
199	T	98.9	Very high	98	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.9	164.4	73.7	0	0	0	0	109.1	L149 N150 Y152 Y170 G181 I184	L149-T199 CarbonylContact C-O 3.57Å; L149-T199 WeakPolarHBondContact CA-O 3.35Å; L149-T199 WeakPolarHBondContact CB-O 3.15Å; N150-T199 PolarHBondContact N-O 2.98Å; N150-T199 PolarHBondContact ND2-OG1 2.94Å; N150-T199 PolarHBondContact O-N 2.83Å; Y152-T199 HydrophobicContact CE2-CG2 4.23Å; Y170-T199 HydrophobicContact CD1-CG2 4.49Å; G181-T199 VanDerWaalsContact O-CB 3.3Å; G181-T199 WeakPolarHBondContact O-CB 3.09Å; G181-T199 PolarHBondContact O-OG1 3.25Å; I184-T199 HydrophobicContact CB-CG2 4.39Å; I184-T199 HydrophobicContact CG2-CG2 4.36Å
200	L	98.6	Very high	98	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.4	-177.2	68.7	94	0	0	0	112	L149 V169 I171 H172 Y202 Q226 A229	L149-L200 HydrophobicContact CB-CB 3.84Å; V169-L200 HydrophobicContact CG1-CD2 3.79Å; I171-L200 HydrophobicContact CG1-CD2 4.43Å; H172-L200 PolarHBondContact CD2-O 3.05Å; L200-Y202 HydrophobicContact CD1-CD1 3.91Å; L200-Q226 HydrophobicContact CD1-CG 4.12Å; L200-A229 HydrophobicContact CD2-CB 3.95Å
201	N	98.8	Very high	98	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.011	3%	0.03	C	C	.	.			trans	-102.9	136.1	167.2	-65.5	-38.7	0	0	0	109.1	Y79 C146 Y148 T180 G181 N182	Y79-N201 WeakPolarHBondContact CE1-O 3.26Å; Y79-N201 PolarHBondContact OH-O 3.24Å; C146-N201 WeakPolarHBondContact O-CB 3.4Å; Y148-N201 PolarHBondContact O-N 3.11Å; T180-N201 WeakPolarHBondContact CA-OD1 3.41Å; T180-N201 WeakPolarHBondContact CB-OD1 3.3Å; T180-N201 PolarHBondContact OG1-OD1 2.79Å; G181-N201 PolarHBondContact N-OD1 3.48Å; N182-N201 PolarHBondContact OD1-ND2 2.85Å
202	Y	98.8	Very high	98.1	Very high	1 Å²	1	5.4 Å²	5.4	0%	0.004	3%	0.027	C	C	.	.			trans	-128.1	157.9	174.3	62	-88	0	0	0	109.2	C111 I171 H172 L200 V204 F209 Q226	C111-Y202 VanDerWaalsContact SG-C 3.55Å; C111-Y202 PolarHBondContact SG-O 3.41Å; I171-Y202 HydrophobicContact CG2-CD1 4.32Å; I171-Y202 HydrophobicContact CG2-CE1 3.77Å; H172-Y202 AromaticContact CD2-CE1 3.79Å; H172-Y202 AromaticContact CE1-CE1 3.49Å; H172-Y202 VanDerWaalsContact CE1-CE1 3.49Å; H172-Y202 WeakPolarHBondContact CE1-CE1 3.48Å; H172-Y202 AromaticContact CE1-CZ 3.8Å; H172-Y202 AromaticContact ND1-CE1 3.97Å; H172-Y202 AromaticContact NE2-CD1 3.69Å; H172-Y202 AromaticContact NE2-CE1 3.39Å; H172-Y202 WeakPolarHBondContact NE2-CE1 3.34Å; H172-Y202 PolarHBondContact O-OH 2.98Å; L200-Y202 HydrophobicContact CD1-CD1 3.91Å; Y202-V204 HydrophobicContact CE2-CG1 4.26Å; Y202-V204 PolarHBondContact O-N 2.83Å; Y202-F209 HydrophobicContact CD2-CZ 4.43Å; Y202-F209 HydrophobicContact CE2-CE2 4.24Å; Y202-F209 HydrophobicContact CE2-CZ 4.08Å; Y202-Q226 HydrophobicContact CD1-CG 4.02Å; Y202-Q226 HydrophobicContact CG-CG 3.94Å
203	R	98.8	Very high	98.1	Very high	9 Å²	9	6 Å²	6	3%	0.034	5%	0.046	C	C	.	.			trans	-60.7	128.9	179.6	-77.3	170.7	-77.8	177.3	-4.8	111	P83 M90 L147 G208 G222 D225	P83-R203 HydrophobicContact CG-CG 4.28Å; M90-R203 PolarHBondContact O-NH1 2.95Å; M90-R203 PolarHBondContact O-NH2 2.6Å; M90-R203 VanDerWaalsContact O-NH2 3.09Å; L147-R203 HydrophobicContact CD2-CG 4.15Å; R203-G208 VanDerWaalsContact CB-CA 3.48Å; R203-G208 WeakPolarHBondContact O-CA 3.49Å; R203-G222 WeakPolarHBondContact O-CA 3.26Å; R203-D225 WeakPolarHBondContact CB-OD2 3.42Å; R203-D225 VanDerWaalsContact CG-OD2 3.26Å; R203-D225 WeakPolarHBondContact CG-OD2 3.37Å; R203-D225 IonicContact CZ-OD1 2.7Å; R203-D225 IonicContact CZ-OD2 3.45Å; R203-D225 PolarHBondContact N-OD2 3.22Å; R203-D225 IonicContact NE-OD1 3.77Å; R203-D225 PolarHBondContact NE-OD1 3.33Å; R203-D225 IonicContact NE-OD2 3.51Å; R203-D225 PolarHBondContact NE-OD2 2.94Å; R203-D225 IonicContact NH2-OD1 2.79Å; R203-D225 PolarHBondContact NH2-OD1 3.13Å; R203-D225 IonicContact NH2-OD2 3.05Å
204	V	97.8	Very high	98.2	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.012	6%	0.06	C	C	.	.			trans	-104	161.4	179.4	-69.2	0	0	0	0	112.1	C111 Q113 Y176 Y202 L207 G208	C111-V204 HydrophobicContact CB-CG2 3.96Å; Q113-V204 HydrophobicContact CB-CG2 4.08Å; Y176-V204 CarbonylContact O-C 3.54Å; Y176-V204 WeakPolarHBondContact O-CA 3.12Å; Y176-V204 VanDerWaalsContact O-CB 3.27Å; Y176-V204 WeakPolarHBondContact O-CB 3.3Å; Y202-V204 HydrophobicContact CE2-CG1 4.26Å; Y202-V204 PolarHBondContact O-N 2.83Å; V204-L207 PolarHBondContact O-N 2.91Å; V204-G208 PolarHBondContact O-N 2.84Å; V204-G208 VanDerWaalsContact O-N 3.16Å
205	G	96	Very high	98.3	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	49.6	-134.1	174.7	0	0	0	0	0	113.9	Y176 M177 L207 G208 F209	Y176-G205 PolarHBondContact O-N 3.23Å; M177-G205 VanDerWaalsContact SD-CA 3.51Å; G205-L207 PolarHBondContact O-N 3Å; G205-G208 PolarHBondContact O-N 2.99Å; G205-G208 VanDerWaalsContact O-N 3.13Å; G205-F209 WeakPolarHBondContact O-CB 3.03Å; G205-F209 PolarHBondContact O-N 2.87Å
206	V	97.9	Very high	98.3	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.024	9%	0.093	C	C	.	.	H	α-helix	trans	-49.2	-45	178.8	176.6	0	0	0	0	112.2	F89 G208 L210 L299 L325 F339	F89-V206 HydrophobicContact CE1-CG1 4.22Å; F89-V206 WeakPolarHBondContact CE1-O 3.38Å; F89-V206 HydrophobicContact CZ-CG1 4.42Å; V206-G208 VanDerWaalsContact C-N 3.33Å; V206-G208 PolarHBondContact O-N 3.14Å; V206-L210 HydrophobicContact CG1-CB 4.37Å; V206-L210 HydrophobicContact CG1-CD1 3.95Å; V206-L210 WeakPolarHBondContact O-CB 3.14Å; V206-L210 PolarHBondContact O-N 3.12Å; V206-L210 VanDerWaalsContact O-N 3.12Å; V206-L299 HydrophobicContact CB-CD2 4.37Å; V206-L299 HydrophobicContact CG1-CD2 3.51Å; V206-L299 HydrophobicContact CG2-CD2 3.88Å; V206-L325 HydrophobicContact CG1-CB 4.22Å; V206-F339 HydrophobicContact CG2-CD2 3.82Å; V206-F339 HydrophobicContact CG2-CE1 4.49Å; V206-F339 HydrophobicContact CG2-CE2 3.7Å; V206-F339 HydrophobicContact CG2-CG 4.28Å; V206-F339 HydrophobicContact CG2-CZ 4.07Å
207	L	98.6	Very high	98.2	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-73.1	-27	-173.4	-60.3	173	0	0	0	112.5	R88 F89 P112 E144 V204 G205 L325 V326	R88-L207 HydrophobicContact CG-CD2 4.01Å; F89-L207 HydrophobicContact CE1-CD2 4.4Å; P112-L207 HydrophobicContact CB-CD1 3.89Å; P112-L207 HydrophobicContact CG-CD1 3.73Å; E144-L207 HydrophobicContact CG-CD1 4.21Å; V204-L207 PolarHBondContact O-N 2.91Å; G205-L207 PolarHBondContact O-N 3Å; L207-L325 HydrophobicContact CD2-CD1 4.23Å; L207-V326 HydrophobicContact CD1-CG2 4.31Å; L207-V326 HydrophobicContact CG-CG2 4.5Å
208	G	98.4	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-91.2	-28.5	177.4	0	0	0	0	0	115	R203 V204 G205 V206 Y221 G222	R203-G208 VanDerWaalsContact CB-CA 3.48Å; R203-G208 WeakPolarHBondContact O-CA 3.49Å; V204-G208 PolarHBondContact O-N 2.84Å; V204-G208 VanDerWaalsContact O-N 3.16Å; G205-G208 PolarHBondContact O-N 2.99Å; G205-G208 VanDerWaalsContact O-N 3.13Å; V206-G208 VanDerWaalsContact C-N 3.33Å; V206-G208 PolarHBondContact O-N 3.14Å; G208-Y221 CarbonylContact O-C 3.5Å; G208-Y221 WeakPolarHBondContact O-CA 3.32Å; G208-Y221 VanDerWaalsContact O-CB 3.31Å; G208-Y221 WeakPolarHBondContact O-CB 3.2Å; G208-Y221 WeakPolarHBondContact O-CD2 3.46Å; G208-Y221 PolarHBondContact O-N 3.11Å; G208-G222 PolarHBondContact O-N 2.93Å
209	F	98.7	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-140	9.7	-160.7	-58.4	-74.8	0	0	0	115.4	Y176 Y202 G205 S211 L223 F339 G340 P341	Y176-F209 HydrophobicContact CD1-CE1 4.39Å; Y176-F209 AromaticContact CD1-CE2 3.96Å; Y176-F209 HydrophobicContact CD1-CE2 3.96Å; Y176-F209 AromaticContact CD1-CZ 3.77Å; Y176-F209 HydrophobicContact CD1-CZ 3.77Å; Y176-F209 HydrophobicContact CE1-CZ 4.4Å; Y176-F209 HydrophobicContact CG-CE2 4.34Å; Y202-F209 HydrophobicContact CD2-CZ 4.43Å; Y202-F209 HydrophobicContact CE2-CE2 4.24Å; Y202-F209 HydrophobicContact CE2-CZ 4.08Å; G205-F209 WeakPolarHBondContact O-CB 3.03Å; G205-F209 PolarHBondContact O-N 2.87Å; F209-S211 PolarHBondContact O-N 3.41Å; F209-L223 HydrophobicContact CE1-CG 4.4Å; F209-F339 HydrophobicContact CB-CB 4.13Å; F209-G340 VanDerWaalsContact CD1-C 3.41Å; F209-P341 HydrophobicContact CD1-CG 4.35Å; F209-P341 HydrophobicContact CE1-CG 3.93Å
210	L	98.6	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.			trans	-62.1	126.1	170.4	-179.4	144.3	0	0	0	110.8	F89 V206 A217 G219 Y221 T296 L299 L317	F89-L210 HydrophobicContact CD1-CB 4.02Å; F89-L210 HydrophobicContact CD1-CD2 4.21Å; F89-L210 HydrophobicContact CE1-CB 3.9Å; F89-L210 HydrophobicContact CE1-CD1 4.16Å; F89-L210 HydrophobicContact CE1-CD2 4.38Å; F89-L210 HydrophobicContact CE1-CG 4.37Å; F89-L210 HydrophobicContact CG-CD2 4.42Å; F89-L210 HydrophobicContact CZ-CD1 4.25Å; V206-L210 HydrophobicContact CG1-CB 4.37Å; V206-L210 HydrophobicContact CG1-CD1 3.95Å; V206-L210 WeakPolarHBondContact O-CB 3.14Å; V206-L210 PolarHBondContact O-N 3.12Å; V206-L210 VanDerWaalsContact O-N 3.12Å; L210-A217 HydrophobicContact CD2-CB 3.78Å; L210-G219 WeakPolarHBondContact O-CA 3.39Å; L210-Y221 VanDerWaalsContact O-CE2 3.28Å; L210-Y221 WeakPolarHBondContact O-CE2 3.43Å; L210-T296 HydrophobicContact CD1-CG2 4.09Å; L210-T296 HydrophobicContact CD2-CG2 4.03Å; L210-T296 HydrophobicContact CG-CG2 3.91Å; L210-L299 HydrophobicContact CD1-CD2 3.75Å; L210-L317 HydrophobicContact CD1-CD1 3.94Å
211	S	98.7	Very high	98.2	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	11%	0.108	C	C	.	.			trans	-135.5	138.7	176.2	173.1	0	0	0	0	111.3	F209 G213 A217 K218 T296	F209-S211 PolarHBondContact O-N 3.41Å; S211-G213 PolarHBondContact OG-N 3.4Å; S211-A217 CarbonylContact C-O 3.59Å; S211-A217 VanDerWaalsContact CA-O 3.24Å; S211-A217 WeakPolarHBondContact CA-O 3.11Å; S211-A217 PolarHBondContact OG-O 3.31Å; S211-K218 WeakPolarHBondContact CB-O 3.25Å; S211-K218 PolarHBondContact OG-O 3.01Å; S211-T296 VanDerWaalsContact O-CB 3.31Å; S211-T296 WeakPolarHBondContact O-CB 3.33Å; S211-T296 PolarHBondContact O-OG1 3.48Å
212	T	98.4	Very high	98.2	Very high	6 Å²	6	18.5 Å²	18.5	4%	0.037	11%	0.108	C	C	.	.			trans	-87.3	-7.7	173.7	45.1	0	0	0	0	113.1	D214 A216 A217 V293 T296 T310 M313 V314	T212-D214 VanDerWaalsContact CB-OD1 3.3Å; T212-D214 WeakPolarHBondContact CB-OD1 3.42Å; T212-D214 PolarHBondContact O-N 3.19Å; T212-D214 PolarHBondContact OG1-OD1 2.79Å; T212-A216 HydrophobicContact CG2-CB 4.43Å; T212-A217 HydrophobicContact CG2-CB 4.19Å; T212-A217 PolarHBondContact N-O 3.38Å; T212-A217 PolarHBondContact OG1-N 2.87Å; T212-A217 PolarHBondContact OG1-O 3.37Å; T212-A217 VanDerWaalsContact OG1-O 3.14Å; T212-V293 WeakPolarHBondContact O-CG2 3.49Å; T212-T296 HydrophobicContact CG2-CG2 4.15Å; T212-T310 HydrophobicContact CG2-CG2 4.13Å; T212-M313 HydrophobicContact CG2-CE 3.59Å; T212-V314 HydrophobicContact CG2-CG2 3.74Å
213	G	97.3	Very high	98.2	Very high	56 Å²	56	18.5 Å²	18.5	58%	0.577	11%	0.108	S	C	*	.	S	Bend	trans	70.6	15.5	-169	0	0	0	0	0	113.6	S211	S211-G213 PolarHBondContact OG-N 3.4Å
214	D	97.6	Very high	98.2	Very high	58 Å²	58	19.3 Å²	19.3	31%	0.31	11%	0.113	S	C	.	.	S	Bend	trans	-146.1	-166.1	177.3	68.3	23.1	0	0	0	110.8	T212 A216 T310	T212-D214 VanDerWaalsContact CB-OD1 3.3Å; T212-D214 WeakPolarHBondContact CB-OD1 3.42Å; T212-D214 PolarHBondContact O-N 3.19Å; T212-D214 PolarHBondContact OG1-OD1 2.79Å; D214-A216 VanDerWaalsContact C-N 3.34Å; D214-A216 PolarHBondContact O-N 2.97Å; D214-A216 VanDerWaalsContact OD1-CB 3.32Å; D214-A216 WeakPolarHBondContact OD1-CB 3.15Å; D214-A216 PolarHBondContact OD1-N 2.74Å; D214-T310 VanDerWaalsContact OD2-CB 3.28Å; D214-T310 WeakPolarHBondContact OD2-CB 3.47Å; D214-T310 VanDerWaalsContact OD2-CG2 3.3Å; D214-T310 WeakPolarHBondContact OD2-CG2 3.14Å; D214-T310 PolarHBondContact OD2-OG1 3.06Å
215	Q	97.5	Very high	98.3	Very high	150 Å²	150	19.2 Å²	19.2	70%	0.701	11%	0.112	S	C	*	.	S	Bend	trans	-78.6	-8.3	-175.5	-57.8	-58.2	-62.5	0	0	114.7	K218	Q215-K218 VanDerWaalsContact OE1-CE 3.23Å
216	A	97.7	Very high	98.4	Very high	19 Å²	19	19.1 Å²	19.1	16%	0.157	11%	0.11	C	C	.	.	S	Bend	trans	-71.3	-38.7	-179.3	0	0	0	0	0	112.3	T212 D214 T310 V314	T212-A216 HydrophobicContact CG2-CB 4.43Å; D214-A216 VanDerWaalsContact C-N 3.34Å; D214-A216 PolarHBondContact O-N 2.97Å; D214-A216 VanDerWaalsContact OD1-CB 3.32Å; D214-A216 WeakPolarHBondContact OD1-CB 3.15Å; D214-A216 PolarHBondContact OD1-N 2.74Å; A216-T310 VanDerWaalsContact CB-C 3.48Å; A216-T310 WeakPolarHBondContact CB-O 3.43Å; A216-V314 HydrophobicContact CB-CG2 4.17Å
217	A	98.3	Very high	98.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	11%	0.11	C	C	.	.			trans	-148.3	102.6	167.2	0	0	0	0	0	109.2	L210 S211 T212 G219 Y221 V314	L210-A217 HydrophobicContact CD2-CB 3.78Å; S211-A217 CarbonylContact C-O 3.59Å; S211-A217 VanDerWaalsContact CA-O 3.24Å; S211-A217 WeakPolarHBondContact CA-O 3.11Å; S211-A217 PolarHBondContact OG-O 3.31Å; T212-A217 HydrophobicContact CG2-CB 4.19Å; T212-A217 PolarHBondContact N-O 3.38Å; T212-A217 PolarHBondContact OG1-N 2.87Å; T212-A217 PolarHBondContact OG1-O 3.37Å; T212-A217 VanDerWaalsContact OG1-O 3.14Å; A217-G219 VanDerWaalsContact C-N 3.35Å; A217-G219 PolarHBondContact O-N 3.01Å; A217-Y221 VanDerWaalsContact CA-OH 3.22Å; A217-Y221 WeakPolarHBondContact CA-OH 3.43Å; A217-Y221 VanDerWaalsContact CB-OH 3.3Å; A217-Y221 WeakPolarHBondContact CB-OH 3.35Å; A217-V314 HydrophobicContact CB-CG1 4.38Å; A217-V314 HydrophobicContact CB-CG2 3.7Å
218	K	98.3	Very high	98.5	Very high	65 Å²	65	19.8 Å²	19.8	28%	0.283	11%	0.113	S	C	.	.			trans	-61.4	-39.9	180	-69.9	-166.5	178.6	-162.4	0	113.1	S211 Q215 Y221 V342 D346	S211-K218 WeakPolarHBondContact CB-O 3.25Å; S211-K218 PolarHBondContact OG-O 3.01Å; Q215-K218 VanDerWaalsContact OE1-CE 3.23Å; K218-Y221 PolarHBondContact N-OH 3.46Å; K218-V342 WeakPolarHBondContact O-CG2 3.42Å; K218-D346 IonicContact NZ-OD2 3.09Å; K218-D346 PolarHBondContact NZ-OD2 2.91Å
219	G	98.4	Very high	98.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	11%	0.113	C	C	.	.			trans	104.1	-158	-167.9	0	0	0	0	0	112.6	L210 A217 Y221	L210-G219 WeakPolarHBondContact O-CA 3.39Å; A217-G219 VanDerWaalsContact C-N 3.35Å; A217-G219 PolarHBondContact O-N 3.01Å; G219-Y221 PolarHBondContact N-OH 2.9Å; G219-Y221 WeakPolarHBondContact O-CD1 3.49Å; G219-Y221 VanDerWaalsContact O-CE1 3.3Å; G219-Y221 WeakPolarHBondContact O-CE1 3.36Å; G219-Y221 PolarHBondContact O-N 3.2Å
220	N	98.8	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.			trans	55.2	13.7	173.1	-65.4	-24.2	0	0	0	117.3	G222 L223 L224 P341 V342 D344 V347	N220-G222 VanDerWaalsContact C-N 3.26Å; N220-G222 PolarHBondContact O-N 2.76Å; N220-L223 PolarHBondContact O-N 3.19Å; N220-L224 PolarHBondContact O-N 3.13Å; N220-P341 WeakPolarHBondContact OD1-CA 3.33Å; N220-V342 PolarHBondContact ND2-O 3.43Å; N220-V342 PolarHBondContact OD1-N 2.94Å; N220-V342 PolarHBondContact OD1-O 3.27Å; N220-D344 PolarHBondContact ND2-OD2 3.06Å; N220-V347 HydrophobicContact CB-CB 4.07Å; N220-V347 HydrophobicContact CB-CG1 4.22Å; N220-V347 HydrophobicContact CB-CG2 4.16Å
221	Y	98.9	Very high	98.5	Very high	6 Å²	6	24.3 Å²	24.3	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-35.9	-179.9	-42.2	-63.2	0	0	0	112.9	F89 G208 L210 A217 K218 G219 L224 D225	F89-Y221 VanDerWaalsContact C-CZ 3.41Å; F89-Y221 HydrophobicContact CB-CE2 3.84Å; F89-Y221 HydrophobicContact CD1-CE2 4.19Å; F89-Y221 WeakPolarHBondContact O-CE1 3.35Å; F89-Y221 PolarHBondContact O-OH 3.04Å; G208-Y221 CarbonylContact O-C 3.5Å; G208-Y221 WeakPolarHBondContact O-CA 3.32Å; G208-Y221 VanDerWaalsContact O-CB 3.31Å; G208-Y221 WeakPolarHBondContact O-CB 3.2Å; G208-Y221 WeakPolarHBondContact O-CD2 3.46Å; G208-Y221 PolarHBondContact O-N 3.11Å; L210-Y221 VanDerWaalsContact O-CE2 3.28Å; L210-Y221 WeakPolarHBondContact O-CE2 3.43Å; A217-Y221 VanDerWaalsContact CA-OH 3.22Å; A217-Y221 WeakPolarHBondContact CA-OH 3.43Å; A217-Y221 VanDerWaalsContact CB-OH 3.3Å; A217-Y221 WeakPolarHBondContact CB-OH 3.35Å; K218-Y221 PolarHBondContact N-OH 3.46Å; G219-Y221 PolarHBondContact N-OH 2.9Å; G219-Y221 WeakPolarHBondContact O-CD1 3.49Å; G219-Y221 VanDerWaalsContact O-CE1 3.3Å; G219-Y221 WeakPolarHBondContact O-CE1 3.36Å; G219-Y221 PolarHBondContact O-N 3.2Å; Y221-L224 PolarHBondContact O-N 3.36Å; Y221-D225 WeakPolarHBondContact O-CB 3.14Å; Y221-D225 PolarHBondContact O-N 3.29Å
222	G	98.8	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.9	-30.6	174.5	0	0	0	0	0	114.1	R203 G208 N220 Q226	R203-G222 WeakPolarHBondContact O-CA 3.26Å; G208-G222 PolarHBondContact O-N 2.93Å; N220-G222 VanDerWaalsContact C-N 3.26Å; N220-G222 PolarHBondContact O-N 2.76Å; G222-Q226 VanDerWaalsContact O-CG 3.3Å; G222-Q226 WeakPolarHBondContact O-CG 3.37Å; G222-Q226 PolarHBondContact O-N 2.79Å
223	L	98.9	Very high	98.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-76.2	-40.2	170.9	-64.3	-178.9	0	0	0	110.9	F209 N220 D225 Q226 I227 C258 L261 P341 V347 I348	F209-L223 HydrophobicContact CE1-CG 4.4Å; N220-L223 PolarHBondContact O-N 3.19Å; L223-D225 VanDerWaalsContact C-N 3.27Å; L223-D225 PolarHBondContact O-N 3.5Å; L223-Q226 WeakPolarHBondContact O-CB 3.47Å; L223-Q226 PolarHBondContact O-N 3.23Å; L223-Q226 VanDerWaalsContact O-N 3.11Å; L223-I227 WeakPolarHBondContact O-CG1 3.3Å; L223-I227 PolarHBondContact O-N 3.33Å; L223-C258 HydrophobicContact CD2-CB 4.35Å; L223-L261 HydrophobicContact CD1-CB 4.43Å; L223-P341 HydrophobicContact CD1-CB 4.02Å; L223-P341 HydrophobicContact CD1-CG 4.09Å; L223-P341 HydrophobicContact CD2-CG 4.41Å; L223-P341 HydrophobicContact CG-CG 4.32Å; L223-V347 HydrophobicContact CB-CG1 4.25Å; L223-V347 HydrophobicContact CD1-CG1 4.34Å; L223-I348 HydrophobicContact CD1-CD1 4.17Å; L223-I348 HydrophobicContact CD1-CG1 4.2Å
224	L	98.9	Very high	98.5	Very high	26 Å²	26	23 Å²	23	14%	0.136	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-33.6	175.2	-71.1	167	0	0	0	112.3	P91 P92 N220 Y221 I227 Q228 V347	P91-L224 HydrophobicContact CB-CD1 4.08Å; P91-L224 HydrophobicContact CG-CD1 4.06Å; P92-L224 HydrophobicContact CG-CB 4.33Å; P92-L224 WeakPolarHBondContact CG-O 3.17Å; N220-L224 PolarHBondContact O-N 3.13Å; Y221-L224 PolarHBondContact O-N 3.36Å; L224-I227 HydrophobicContact CD2-CD1 4.36Å; L224-I227 PolarHBondContact O-N 2.89Å; L224-Q228 WeakPolarHBondContact O-CB 3.12Å; L224-Q228 PolarHBondContact O-N 2.92Å; L224-V347 HydrophobicContact CD1-CG2 4.1Å; L224-V347 HydrophobicContact CD2-CG2 3.7Å; L224-V347 HydrophobicContact CG-CG2 3.89Å
225	D	98.9	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-46.6	170	-73.3	-15.2	0	0	0	111.5	Y79 P92 L147 R203 Y221 L223 I227 Q228 A229	Y79-D225 WeakPolarHBondContact CE2-O 3.3Å; P92-D225 WeakPolarHBondContact CB-OD1 3.41Å; L147-D225 HydrophobicContact CD2-CB 4.26Å; L147-D225 WeakPolarHBondContact CD2-OD2 3.42Å; R203-D225 WeakPolarHBondContact CB-OD2 3.42Å; R203-D225 VanDerWaalsContact CG-OD2 3.26Å; R203-D225 WeakPolarHBondContact CG-OD2 3.37Å; R203-D225 IonicContact CZ-OD1 2.7Å; R203-D225 IonicContact CZ-OD2 3.45Å; R203-D225 PolarHBondContact N-OD2 3.22Å; R203-D225 IonicContact NE-OD1 3.77Å; R203-D225 PolarHBondContact NE-OD1 3.33Å; R203-D225 IonicContact NE-OD2 3.51Å; R203-D225 PolarHBondContact NE-OD2 2.94Å; R203-D225 IonicContact NH2-OD1 2.79Å; R203-D225 PolarHBondContact NH2-OD1 3.13Å; R203-D225 IonicContact NH2-OD2 3.05Å; Y221-D225 WeakPolarHBondContact O-CB 3.14Å; Y221-D225 PolarHBondContact O-N 3.29Å; L223-D225 VanDerWaalsContact C-N 3.27Å; L223-D225 PolarHBondContact O-N 3.5Å; D225-I227 PolarHBondContact O-N 2.95Å; D225-Q228 PolarHBondContact O-N 2.74Å; D225-A229 WeakPolarHBondContact O-CB 3.49Å; D225-A229 PolarHBondContact O-N 3.4Å
226	Q	98.9	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-42.3	175.4	-63.9	162.2	12.1	0	0	111.4	I171 L200 Y202 G222 L223 A229 L230 C258 L262	I171-Q226 HydrophobicContact CD1-CB 4.27Å; I171-Q226 HydrophobicContact CD1-CG 4.15Å; I171-Q226 HydrophobicContact CG2-CG 4.41Å; L200-Q226 HydrophobicContact CD1-CG 4.12Å; Y202-Q226 HydrophobicContact CD1-CG 4.02Å; Y202-Q226 HydrophobicContact CG-CG 3.94Å; G222-Q226 VanDerWaalsContact O-CG 3.3Å; G222-Q226 WeakPolarHBondContact O-CG 3.37Å; G222-Q226 PolarHBondContact O-N 2.79Å; L223-Q226 WeakPolarHBondContact O-CB 3.47Å; L223-Q226 PolarHBondContact O-N 3.23Å; L223-Q226 VanDerWaalsContact O-N 3.11Å; Q226-A229 WeakPolarHBondContact O-CB 3.32Å; Q226-A229 PolarHBondContact O-N 3.05Å; Q226-L230 VanDerWaalsContact O-CG 3.3Å; Q226-L230 WeakPolarHBondContact O-CG 3.42Å; Q226-L230 PolarHBondContact O-N 2.62Å; Q226-C258 PolarHBondContact NE2-SG 3.41Å; Q226-C258 VanDerWaalsContact NE2-SG 3.43Å; Q226-L262 HydrophobicContact CB-CD1 4.18Å
227	I	98.9	Very high	98.6	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-43.6	175	-70	159.2	0	0	0	111.2	L223 L224 D225 L230 R231 L262 H267 L271 V347	L223-I227 WeakPolarHBondContact O-CG1 3.3Å; L223-I227 PolarHBondContact O-N 3.33Å; L224-I227 HydrophobicContact CD2-CD1 4.36Å; L224-I227 PolarHBondContact O-N 2.89Å; D225-I227 PolarHBondContact O-N 2.95Å; I227-L230 PolarHBondContact O-N 2.96Å; I227-R231 WeakPolarHBondContact O-CG 3.15Å; I227-R231 PolarHBondContact O-N 3.32Å; I227-L262 HydrophobicContact CD1-CD2 3.95Å; I227-L262 HydrophobicContact CG1-CD2 3.52Å; I227-H267 HydrophobicContact CD1-CB 3.84Å; I227-H267 HydrophobicContact CG2-CB 4.36Å; I227-L271 HydrophobicContact CG2-CD1 3.98Å; I227-V347 HydrophobicContact CD1-CG1 4.21Å
228	Q	98.9	Very high	98.6	Very high	20 Å²	20	18.7 Å²	18.7	9%	0.093	10%	0.101	C	C	.	.	H	α-helix	trans	-68.4	-34.3	177.2	176.5	51.1	38.6	0	0	112.1	Y79 A80 P92 L224 D225 W232	Y79-Q228 HydrophobicContact CD2-CG 4.2Å; Y79-Q228 PolarHBondContact O-NE2 3.42Å; A80-Q228 HydrophobicContact CB-CG 3.95Å; P92-Q228 HydrophobicContact CB-CB 4.25Å; P92-Q228 HydrophobicContact CB-CG 4.18Å; P92-Q228 HydrophobicContact CG-CB 3.61Å; P92-Q228 HydrophobicContact CG-CG 4.04Å; L224-Q228 WeakPolarHBondContact O-CB 3.12Å; L224-Q228 PolarHBondContact O-N 2.92Å; D225-Q228 PolarHBondContact O-N 2.74Å; Q228-W232 WeakPolarHBondContact O-CB 3.36Å; Q228-W232 PolarHBondContact O-N 2.81Å
229	A	98.9	Very high	98.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-45.2	169.3	0	0	0	0	0	111.3	Y79 L149 L200 D225 Q226 R231 W232 I233	Y79-A229 HydrophobicContact CD1-CB 4.08Å; Y79-A229 VanDerWaalsContact CD2-CA 3.5Å; Y79-A229 HydrophobicContact CD2-CB 3.67Å; Y79-A229 HydrophobicContact CE1-CB 4.12Å; Y79-A229 HydrophobicContact CE2-CB 3.76Å; Y79-A229 HydrophobicContact CG-CB 3.86Å; L149-A229 HydrophobicContact CD2-CB 4.35Å; L200-A229 HydrophobicContact CD2-CB 3.95Å; D225-A229 WeakPolarHBondContact O-CB 3.49Å; D225-A229 PolarHBondContact O-N 3.4Å; Q226-A229 WeakPolarHBondContact O-CB 3.32Å; Q226-A229 PolarHBondContact O-N 3.05Å; A229-R231 PolarHBondContact O-N 2.64Å; A229-W232 PolarHBondContact O-N 2.83Å; A229-I233 WeakPolarHBondContact O-CB 3.2Å; A229-I233 WeakPolarHBondContact O-CD1 3.3Å; A229-I233 WeakPolarHBondContact O-CG1 3.38Å; A229-I233 PolarHBondContact O-N 2.88Å
230	L	98.9	Very high	98.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-64.1	-38.3	177.7	-69.8	166.1	0	0	0	112.6	V169 Q226 I227 I233 S234 I247 V249 L262 L271 F272	V169-L230 HydrophobicContact CB-CD2 4.33Å; V169-L230 HydrophobicContact CG1-CD2 4.08Å; V169-L230 HydrophobicContact CG2-CD2 4.28Å; Q226-L230 VanDerWaalsContact O-CG 3.3Å; Q226-L230 WeakPolarHBondContact O-CG 3.42Å; Q226-L230 PolarHBondContact O-N 2.62Å; I227-L230 PolarHBondContact O-N 2.96Å; L230-I233 PolarHBondContact O-N 3.03Å; L230-S234 WeakPolarHBondContact O-CB 3.49Å; L230-S234 PolarHBondContact O-N 3.43Å; L230-I247 HydrophobicContact CD2-CG2 4.33Å; L230-V249 HydrophobicContact CD1-CG2 4.25Å; L230-V249 HydrophobicContact CD2-CG2 3.66Å; L230-L262 HydrophobicContact CD1-CD1 4.15Å; L230-L271 HydrophobicContact CB-CB 4.07Å; L230-L271 HydrophobicContact CB-CD1 4.12Å; L230-F272 HydrophobicContact CD1-CD1 4Å; L230-F272 HydrophobicContact CD1-CE1 4.28Å
231	R	98.8	Very high	98.3	Very high	94 Å²	94	22.6 Å²	22.6	36%	0.355	13%	0.128	S	C	.	.	H	α-helix	trans	-59	-52.6	170.3	-72.3	168.5	-172.4	-94.6	-7.8	111.1	I227 A229 I233 S234 E235 H267 L271	I227-R231 WeakPolarHBondContact O-CG 3.15Å; I227-R231 PolarHBondContact O-N 3.32Å; A229-R231 PolarHBondContact O-N 2.64Å; R231-I233 VanDerWaalsContact C-N 3.29Å; R231-I233 PolarHBondContact O-N 2.9Å; R231-S234 PolarHBondContact O-N 3.11Å; R231-E235 WeakPolarHBondContact O-CB 3.46Å; R231-E235 WeakPolarHBondContact O-CG 3.29Å; R231-E235 PolarHBondContact O-N 3.38Å; R231-H267 PolarHBondContact NH2-O 2.88Å; R231-L271 HydrophobicContact CG-CD1 3.65Å; R231-L271 HydrophobicContact CG-CD2 3.65Å; R231-L271 HydrophobicContact CG-CG 4.33Å
232	W	98.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.2	-41.9	176.9	-173.1	101.6	0	0	0	112.1	T51 Y53 V77 P78 L149 I151 Q228 A229 E235 N236 F240	T51-W232 HydrophobicContact CG2-CH2 4.26Å; T51-W232 HydrophobicContact CG2-CZ2 4.03Å; Y53-W232 AromaticContact CD2-CD1 3.93Å; Y53-W232 AromaticContact CD2-NE1 3.45Å; Y53-W232 AromaticContact CE2-CD1 3.42Å; Y53-W232 VanDerWaalsContact CE2-CD1 3.42Å; Y53-W232 HydrophobicContact CE2-CG 4.49Å; Y53-W232 AromaticContact CE2-NE1 3.47Å; V77-W232 HydrophobicContact CG1-CH2 3.65Å; V77-W232 HydrophobicContact CG1-CZ2 3.53Å; P78-W232 PolarHBondContact O-NE1 2.88Å; L149-W232 HydrophobicContact CD1-CE3 4.4Å; L149-W232 HydrophobicContact CD1-CZ3 4.02Å; L149-W232 HydrophobicContact CD2-CE3 3.94Å; L149-W232 HydrophobicContact CD2-CZ3 4.37Å; I151-W232 HydrophobicContact CD1-CH2 3.98Å; I151-W232 HydrophobicContact CD1-CZ3 3.9Å; Q228-W232 WeakPolarHBondContact O-CB 3.36Å; Q228-W232 PolarHBondContact O-N 2.81Å; A229-W232 PolarHBondContact O-N 2.83Å; W232-E235 PolarHBondContact O-N 2.93Å; W232-N236 HydrophobicContact CD2-CB 4.24Å; W232-N236 HydrophobicContact CE3-CB 4.13Å; W232-N236 HydrophobicContact CH2-CB 4.01Å; W232-N236 HydrophobicContact CZ2-CB 4.15Å; W232-N236 HydrophobicContact CZ3-CB 4Å; W232-N236 VanDerWaalsContact O-CB 3.26Å; W232-N236 WeakPolarHBondContact O-CB 3.29Å; W232-N236 PolarHBondContact O-N 3.17Å; W232-N236 PolarHBondContact O-ND2 3.07Å; W232-F240 AromaticContact CH2-CE2 3.98Å; W232-F240 HydrophobicContact CH2-CE2 3.98Å; W232-F240 HydrophobicContact CH2-CZ 4.23Å; W232-F240 HydrophobicContact CZ3-CE2 4.49Å
233	I	98.8	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-51.4	178.4	-68.8	161	0	0	0	110	L149 V167 V169 I198 A229 L230 R231 E235 N236 I237 I247	L149-I233 HydrophobicContact CD2-CD1 4.15Å; L149-I233 HydrophobicContact CD2-CG1 3.99Å; V167-I233 HydrophobicContact CG1-CG2 4.17Å; V169-I233 HydrophobicContact CG1-CD1 3.81Å; V169-I233 HydrophobicContact CG2-CD1 3.89Å; V169-I233 HydrophobicContact CG2-CG2 4.41Å; I198-I233 HydrophobicContact CD1-CB 4.45Å; I198-I233 HydrophobicContact CD1-CD1 3.88Å; I198-I233 HydrophobicContact CD1-CG1 3.79Å; I198-I233 HydrophobicContact CD1-CG2 3.78Å; I198-I233 HydrophobicContact CG2-CD1 4.08Å; A229-I233 WeakPolarHBondContact O-CB 3.2Å; A229-I233 WeakPolarHBondContact O-CD1 3.3Å; A229-I233 WeakPolarHBondContact O-CG1 3.38Å; A229-I233 PolarHBondContact O-N 2.88Å; L230-I233 PolarHBondContact O-N 3.03Å; R231-I233 VanDerWaalsContact C-N 3.29Å; R231-I233 PolarHBondContact O-N 2.9Å; I233-E235 VanDerWaalsContact C-N 3.25Å; I233-E235 PolarHBondContact O-N 3.33Å; I233-N236 PolarHBondContact O-N 3.49Å; I233-N236 VanDerWaalsContact O-N 3.16Å; I233-I237 HydrophobicContact CG2-CB 4.07Å; I233-I237 HydrophobicContact CG2-CG1 4.38Å; I233-I237 HydrophobicContact CG2-CG2 4.3Å; I233-I237 WeakPolarHBondContact O-CB 3.49Å; I233-I237 VanDerWaalsContact O-CG2 3.26Å; I233-I237 WeakPolarHBondContact O-CG2 3.12Å; I233-I237 PolarHBondContact O-N 3.3Å; I233-I247 HydrophobicContact CG2-CD1 3.92Å; I233-I247 HydrophobicContact CG2-CG1 4.39Å
234	S	97.6	Very high	98.1	Very high	37 Å²	37	25.5 Å²	25.5	26%	0.259	15%	0.147	S	C	.	.	H	α-helix	trans	-57.3	-39.3	177.8	-169.4	0	0	0	0	112.3	L230 R231 S244	L230-S234 WeakPolarHBondContact O-CB 3.49Å; L230-S234 PolarHBondContact O-N 3.43Å; R231-S234 PolarHBondContact O-N 3.11Å; S234-S244 WeakPolarHBondContact O-CB 3.27Å
235	E	98	Very high	98	Very high	86 Å²	86	29.3 Å²	29.3	40%	0.402	17%	0.167	S	C	.	.	H	α-helix	trans	-72.8	-25	178	-77	174.3	-173.7	0	0	115.5	Q52 Y53 R231 W232 I233	Q52-E235 PolarHBondContact NE2-O 3.25Å; Y53-E235 PolarHBondContact OH-OE2 3.48Å; R231-E235 WeakPolarHBondContact O-CB 3.46Å; R231-E235 WeakPolarHBondContact O-CG 3.29Å; R231-E235 PolarHBondContact O-N 3.38Å; W232-E235 PolarHBondContact O-N 2.93Å; I233-E235 VanDerWaalsContact C-N 3.25Å; I233-E235 PolarHBondContact O-N 3.33Å
236	N	98.6	Very high	97.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-127.3	-17.7	-166.6	-66.2	-90.2	0	0	0	115.3	T51 Q52 W232 I233 G238 F239 F240	T51-N236 WeakPolarHBondContact CB-OD1 3.48Å; Q52-N236 WeakPolarHBondContact CG-OD1 3.07Å; Q52-N236 PolarHBondContact N-OD1 2.93Å; W232-N236 HydrophobicContact CD2-CB 4.24Å; W232-N236 HydrophobicContact CE3-CB 4.13Å; W232-N236 HydrophobicContact CH2-CB 4.01Å; W232-N236 HydrophobicContact CZ2-CB 4.15Å; W232-N236 HydrophobicContact CZ3-CB 4Å; W232-N236 VanDerWaalsContact O-CB 3.26Å; W232-N236 WeakPolarHBondContact O-CB 3.29Å; W232-N236 PolarHBondContact O-N 3.17Å; W232-N236 PolarHBondContact O-ND2 3.07Å; I233-N236 PolarHBondContact O-N 3.49Å; I233-N236 VanDerWaalsContact O-N 3.16Å; N236-G238 PolarHBondContact O-N 2.88Å; N236-F239 HydrophobicContact CB-CD2 4.28Å; N236-F239 WeakPolarHBondContact O-CB 3.34Å; N236-F239 VanDerWaalsContact O-CD2 3.26Å; N236-F239 WeakPolarHBondContact O-CD2 3.32Å; N236-F239 PolarHBondContact O-N 2.8Å; N236-F240 WeakPolarHBondContact O-CD2 3.26Å
237	I	98.3	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-68.4	-23.1	-169.8	-155.8	60.4	0	0	0	113.5	I151 V167 I196 I198 I233 F239 F240 G241 G242	I151-I237 HydrophobicContact CD1-CD1 4.48Å; I151-I237 HydrophobicContact CG2-CD1 4.17Å; V167-I237 HydrophobicContact CG1-CG1 4.13Å; V167-I237 HydrophobicContact CG2-CG1 3.76Å; V167-I237 HydrophobicContact CG2-CG2 4.03Å; I196-I237 HydrophobicContact CD1-CD1 4.44Å; I196-I237 HydrophobicContact CD1-CG1 4.36Å; I196-I237 HydrophobicContact CG2-CD1 4.15Å; I198-I237 HydrophobicContact CD1-CD1 3.67Å; I198-I237 HydrophobicContact CD1-CG1 4.32Å; I233-I237 HydrophobicContact CG2-CB 4.07Å; I233-I237 HydrophobicContact CG2-CG1 4.38Å; I233-I237 HydrophobicContact CG2-CG2 4.3Å; I233-I237 WeakPolarHBondContact O-CB 3.49Å; I233-I237 VanDerWaalsContact O-CG2 3.26Å; I233-I237 WeakPolarHBondContact O-CG2 3.12Å; I233-I237 PolarHBondContact O-N 3.3Å; I237-F239 PolarHBondContact O-N 2.7Å; I237-F240 HydrophobicContact CD1-CB 4.19Å; I237-F240 HydrophobicContact CD1-CD2 4.08Å; I237-F240 HydrophobicContact CD1-CG 4.33Å; I237-F240 WeakPolarHBondContact O-CA 3.29Å; I237-F240 WeakPolarHBondContact O-CB 3.48Å; I237-F240 PolarHBondContact O-N 2.89Å; I237-G241 PolarHBondContact O-N 2.84Å; I237-G242 PolarHBondContact O-N 2.84Å
238	G	97.4	Very high	97.9	Very high	51 Å²	51	31.7 Å²	31.7	53%	0.526	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-57	-30.5	170	0	0	0	0	0	114	N236 F240 G241 G242	N236-G238 PolarHBondContact O-N 2.88Å; G238-F240 PolarHBondContact O-N 3.37Å; G238-G241 PolarHBondContact O-N 2.87Å; G238-G241 VanDerWaalsContact O-N 3.12Å; G238-G242 VanDerWaalsContact CA-O 3.31Å; G238-G242 WeakPolarHBondContact CA-O 3.21Å
239	F	97.3	Very high	97.9	Very high	100 Å²	100	30.7 Å²	30.7	44%	0.439	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-72	-15.2	175.7	-57.3	-63	0	0	0	113.6	V49 N50 Q52 N236 I237	V49-F239 HydrophobicContact CG1-CB 3.8Å; V49-F239 WeakPolarHBondContact CG1-O 3.45Å; N50-F239 WeakPolarHBondContact O-CB 3.44Å; N50-F239 WeakPolarHBondContact O-CD1 3.41Å; N50-F239 WeakPolarHBondContact O-CD2 3.27Å; N50-F239 WeakPolarHBondContact O-CG 3.2Å; Q52-F239 HydrophobicContact CG-CE2 3.88Å; Q52-F239 HydrophobicContact CG-CZ 4.39Å; N236-F239 HydrophobicContact CB-CD2 4.28Å; N236-F239 WeakPolarHBondContact O-CB 3.34Å; N236-F239 VanDerWaalsContact O-CD2 3.26Å; N236-F239 WeakPolarHBondContact O-CD2 3.32Å; N236-F239 PolarHBondContact O-N 2.8Å; I237-F239 PolarHBondContact O-N 2.7Å
240	F	97.1	Very high	97.9	Very high	14 Å²	14	30.7 Å²	30.7	6%	0.061	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-100.4	4.9	173.5	-58.4	-96.9	0	0	0	112.1	V49 T51 L56 Y74 I151 V153 I196 W232 N236 I237 G238	V49-F240 HydrophobicContact CB-CD1 4.31Å; V49-F240 HydrophobicContact CB-CE1 4.06Å; V49-F240 HydrophobicContact CB-CZ 4.44Å; V49-F240 HydrophobicContact CG1-CD1 3.98Å; V49-F240 HydrophobicContact CG1-CD2 4.13Å; V49-F240 HydrophobicContact CG1-CE1 3.77Å; V49-F240 HydrophobicContact CG1-CE2 3.94Å; V49-F240 HydrophobicContact CG1-CG 4.16Å; V49-F240 HydrophobicContact CG1-CZ 3.77Å; V49-F240 HydrophobicContact CG2-CD1 4.11Å; V49-F240 HydrophobicContact CG2-CE1 4.31Å; T51-F240 HydrophobicContact CG2-CE2 4.05Å; T51-F240 HydrophobicContact CG2-CZ 4.06Å; L56-F240 HydrophobicContact CD1-CZ 3.93Å; Y74-F240 AromaticContact CD1-CE1 3.93Å; Y74-F240 HydrophobicContact CD1-CE1 3.93Å; Y74-F240 AromaticContact CD2-CD1 3.9Å; Y74-F240 HydrophobicContact CD2-CD1 3.9Å; Y74-F240 AromaticContact CD2-CE1 3.76Å; Y74-F240 HydrophobicContact CD2-CE1 3.76Å; Y74-F240 HydrophobicContact CE1-CE1 4.09Å; Y74-F240 AromaticContact CE2-CD1 3.81Å; Y74-F240 HydrophobicContact CE2-CD1 3.81Å; Y74-F240 AromaticContact CE2-CE1 3.95Å; Y74-F240 HydrophobicContact CE2-CE1 3.95Å; Y74-F240 HydrophobicContact CG-CD1 4.37Å; Y74-F240 AromaticContact CG-CE1 3.75Å; Y74-F240 HydrophobicContact CG-CE1 3.75Å; I151-F240 HydrophobicContact CD1-CD1 4.2Å; I151-F240 HydrophobicContact CD1-CD2 4.26Å; I151-F240 HydrophobicContact CD1-CE1 3.74Å; I151-F240 HydrophobicContact CD1-CE2 3.8Å; I151-F240 HydrophobicContact CD1-CG 4.44Å; I151-F240 HydrophobicContact CD1-CZ 3.51Å; I151-F240 HydrophobicContact CG2-CD1 4.36Å; V153-F240 HydrophobicContact CG2-CB 4.11Å; V153-F240 HydrophobicContact CG2-CD1 4.24Å; I196-F240 HydrophobicContact CD1-CB 4.14Å; I196-F240 WeakPolarHBondContact CD1-O 3.36Å; W232-F240 AromaticContact CH2-CE2 3.98Å; W232-F240 HydrophobicContact CH2-CE2 3.98Å; W232-F240 HydrophobicContact CH2-CZ 4.23Å; W232-F240 HydrophobicContact CZ3-CE2 4.49Å; N236-F240 WeakPolarHBondContact O-CD2 3.26Å; I237-F240 HydrophobicContact CD1-CB 4.19Å; I237-F240 HydrophobicContact CD1-CD2 4.08Å; I237-F240 HydrophobicContact CD1-CG 4.33Å; I237-F240 WeakPolarHBondContact O-CA 3.29Å; I237-F240 WeakPolarHBondContact O-CB 3.48Å; I237-F240 PolarHBondContact O-N 2.89Å; G238-F240 PolarHBondContact O-N 3.37Å
241	G	95.6	Very high	97.9	Very high	34 Å²	34	30.7 Å²	30.7	35%	0.351	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	17.4	-175.7	0	0	0	0	0	114.6	A164 K165 I237 G238	A164-G241 CarbonylContact C-O 3.22Å; A164-G241 WeakPolarHBondContact CA-O 3.42Å; K165-G241 PolarHBondContact N-O 3.24Å; I237-G241 PolarHBondContact O-N 2.84Å; G238-G241 PolarHBondContact O-N 2.87Å; G238-G241 VanDerWaalsContact O-N 3.12Å
242	G	97.3	Very high	97.9	Very high	3 Å²	3	26.3 Å²	26.3	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	156.3	176.6	0	0	0	0	0	114.2	K165 I237 G238	K165-G242 CarbonylContact O-C 3.54Å; K165-G242 VanDerWaalsContact O-CA 3.31Å; K165-G242 WeakPolarHBondContact O-CA 3.49Å; I237-G242 PolarHBondContact O-N 2.84Å; G238-G242 VanDerWaalsContact CA-O 3.31Å; G238-G242 WeakPolarHBondContact CA-O 3.21Å
243	D	97.4	Very high	97.8	Very high	30 Å²	30	26.5 Å²	26.5	16%	0.16	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.5	179.2	-176.7	2.6	0	0	0	111.1	A164 K165 N245 R246	A164-D243 HydrophobicContact CB-CB 3.83Å; K165-D243 PolarHBondContact O-N 3.34Å; D243-N245 PolarHBondContact O-N 2.84Å; D243-N245 WeakPolarHBondContact OD1-CB 3.36Å; D243-N245 PolarHBondContact OD1-N 3.31Å; D243-N245 PolarHBondContact OD1-ND2 3.3Å; D243-R246 HydrophobicContact CB-CB 4.24Å; D243-R246 CarbonylContact O-C 3.57Å; D243-R246 PolarHBondContact O-N 3.09Å; D243-R246 WeakPolarHBondContact OD2-CG 3.41Å; D243-R246 IonicContact OD2-CZ 3.73Å; D243-R246 IonicContact OD2-NE 2.81Å; D243-R246 PolarHBondContact OD2-NE 3.11Å; D243-R246 IonicContact OD2-NH2 3.86Å
244	S	96.9	Very high	97.6	Very high	34 Å²	34	26.7 Å²	26.7	24%	0.238	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-20.1	177.6	47.8	0	0	0	0	113.4	S234 R246 I247 H273	S234-S244 WeakPolarHBondContact O-CB 3.27Å; S244-R246 VanDerWaalsContact C-N 3.25Å; S244-R246 PolarHBondContact O-N 2.93Å; S244-I247 WeakPolarHBondContact O-CD1 3.46Å; S244-H273 PolarHBondContact O-CE1 2.79Å
245	N	96.8	Very high	97.7	Very high	107 Å²	107	25 Å²	25	57%	0.572	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	-0.8	175	-43.2	-88.2	0	0	0	112.5	D243 H273	D243-N245 PolarHBondContact O-N 2.84Å; D243-N245 WeakPolarHBondContact OD1-CB 3.36Å; D243-N245 PolarHBondContact OD1-N 3.31Å; D243-N245 PolarHBondContact OD1-ND2 3.3Å; N245-H273 PolarHBondContact O-CD2 3.45Å
246	R	97.3	Very high	97.7	Very high	53 Å²	53	20.9 Å²	20.9	20%	0.2	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	40.8	178	-64.6	-167.5	-67.5	163.9	-0.3	112.1	A164 P166 V167 D243 S244 K531	A164-R246 PolarHBondContact O-NH2 3.47Å; P166-R246 HydrophobicContact CB-CB 4.3Å; V167-R246 PolarHBondContact N-O 3.14Å; D243-R246 HydrophobicContact CB-CB 4.24Å; D243-R246 CarbonylContact O-C 3.57Å; D243-R246 PolarHBondContact O-N 3.09Å; D243-R246 WeakPolarHBondContact OD2-CG 3.41Å; D243-R246 IonicContact OD2-CZ 3.73Å; D243-R246 IonicContact OD2-NE 2.81Å; D243-R246 PolarHBondContact OD2-NE 3.11Å; D243-R246 IonicContact OD2-NH2 3.86Å; S244-R246 VanDerWaalsContact C-N 3.25Å; S244-R246 PolarHBondContact O-N 2.93Å; R246-K531 PolarHBondContact NH1-O 2.87Å
247	I	98.8	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.1	168.4	-62.2	167.4	0	0	0	109.6	V167 V169 L230 I233 S244 V249 L271 F272 H273	V167-I247 HydrophobicContact CB-CG1 4.07Å; V167-I247 HydrophobicContact CG1-CG1 4.47Å; V167-I247 HydrophobicContact CG2-CG1 4.48Å; V167-I247 WeakPolarHBondContact O-CA 3.43Å; V169-I247 HydrophobicContact CG2-CG2 3.89Å; L230-I247 HydrophobicContact CD2-CG2 4.33Å; I233-I247 HydrophobicContact CG2-CD1 3.92Å; I233-I247 HydrophobicContact CG2-CG1 4.39Å; S244-I247 WeakPolarHBondContact O-CD1 3.46Å; I247-V249 HydrophobicContact CG2-CG2 4.45Å; I247-L271 WeakPolarHBondContact CD1-O 3.37Å; I247-F272 HydrophobicContact CB-CB 4.15Å; I247-F272 HydrophobicContact CG2-CB 3.68Å; I247-H273 PolarHBondContact O-N 2.9Å
248	T	98.9	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.2	173	-59.7	0	0	0	0	108.6	V167 M168 V169 R274 I276 A530	V167-T248 PolarHBondContact O-N 3.48Å; M168-T248 CarbonylContact C-O 3.45Å; M168-T248 WeakPolarHBondContact CA-O 3.23Å; V169-T248 PolarHBondContact N-O 2.99Å; T248-R274 WeakPolarHBondContact CA-O 3.32Å; T248-R274 HydrophobicContact CG2-CB 3.86Å; T248-I276 HydrophobicContact CG2-CD1 4.14Å; T248-I276 HydrophobicContact CG2-CG1 3.98Å; T248-A530 HydrophobicContact CG2-CB 4.31Å; T248-A530 WeakPolarHBondContact OG1-CA 3.21Å
249	V	98.9	Very high	97.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.1	176.8	-168.2	0	0	0	0	108.8	V169 I171 L230 I247 V259 F272 R274 A275 I276	V169-V249 WeakPolarHBondContact O-CA 3.27Å; I171-V249 HydrophobicContact CD1-CG1 3.64Å; I171-V249 HydrophobicContact CG1-CG1 3.95Å; L230-V249 HydrophobicContact CD1-CG2 4.25Å; L230-V249 HydrophobicContact CD2-CG2 3.66Å; I247-V249 HydrophobicContact CG2-CG2 4.45Å; V249-V259 HydrophobicContact CB-CG1 4.42Å; V249-V259 HydrophobicContact CG1-CG1 4.45Å; V249-V259 HydrophobicContact CG1-CG2 3.82Å; V249-F272 HydrophobicContact CB-CD2 4.39Å; V249-F272 HydrophobicContact CB-CG 4.49Å; V249-F272 HydrophobicContact CG2-CB 3.6Å; V249-F272 HydrophobicContact CG2-CD1 3.72Å; V249-F272 HydrophobicContact CG2-CD2 3.77Å; V249-F272 HydrophobicContact CG2-CE1 4.25Å; V249-F272 HydrophobicContact CG2-CE2 4.32Å; V249-F272 HydrophobicContact CG2-CG 3.43Å; V249-F272 VanDerWaalsContact CG2-CG 3.43Å; V249-R274 PolarHBondContact N-O 3.49Å; V249-A275 CarbonylContact O-C 3.58Å; V249-A275 WeakPolarHBondContact O-CA 3.45Å; V249-I276 PolarHBondContact O-N 3.46Å
250	F	98.9	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.2	178.7	72.4	-59.9	0	0	0	112.6	M168 V169 Y170 I171 L189 I276 V495 F496	M168-F250 HydrophobicContact CB-CD1 4.24Å; M168-F250 HydrophobicContact CB-CE1 3.72Å; M168-F250 HydrophobicContact CB-CZ 4.44Å; M168-F250 HydrophobicContact CE-CD1 4.26Å; M168-F250 HydrophobicContact CE-CE1 4.2Å; M168-F250 HydrophobicContact CE-CE2 4.43Å; M168-F250 HydrophobicContact CE-CG 4.44Å; M168-F250 HydrophobicContact CE-CZ 4.28Å; V169-F250 WeakPolarHBondContact O-CD1 3.42Å; V169-F250 PolarHBondContact O-N 3.07Å; Y170-F250 CarbonylContact C-O 3.55Å; Y170-F250 VanDerWaalsContact CA-O 3.3Å; Y170-F250 WeakPolarHBondContact CA-O 3.5Å; Y170-F250 HydrophobicContact CD2-CD1 4.28Å; Y170-F250 AromaticContact CD2-CD2 3.73Å; Y170-F250 HydrophobicContact CD2-CD2 3.73Å; Y170-F250 HydrophobicContact CD2-CE1 4.18Å; Y170-F250 AromaticContact CD2-CE2 3.65Å; Y170-F250 HydrophobicContact CD2-CE2 3.65Å; Y170-F250 HydrophobicContact CD2-CG 4.05Å; Y170-F250 AromaticContact CD2-CZ 3.88Å; Y170-F250 HydrophobicContact CD2-CZ 3.88Å; Y170-F250 WeakPolarHBondContact CD2-O 3.4Å; Y170-F250 HydrophobicContact CE2-CD2 4.32Å; Y170-F250 HydrophobicContact CE2-CE2 4.34Å; Y170-F250 HydrophobicContact CG-CE1 4.41Å; Y170-F250 HydrophobicContact CG-CE2 4.43Å; Y170-F250 HydrophobicContact CG-CZ 4.24Å; I171-F250 PolarHBondContact N-O 3.42Å; L189-F250 HydrophobicContact CD2-CE2 4.33Å; L189-F250 HydrophobicContact CD2-CZ 3.91Å; F250-I276 VanDerWaalsContact CA-O 3.27Å; F250-I276 WeakPolarHBondContact CA-O 3.37Å; F250-I276 HydrophobicContact CB-CB 3.68Å; F250-I276 HydrophobicContact CB-CD1 4.43Å; F250-I276 HydrophobicContact CB-CG1 4.26Å; F250-V495 HydrophobicContact CD2-CG1 4.42Å; F250-V495 HydrophobicContact CE2-CG1 3.88Å; F250-F496 HydrophobicContact CE2-CE1 4.07Å; F250-F496 HydrophobicContact CE2-CE2 4.02Å; F250-F496 AromaticContact CE2-CZ 3.39Å; F250-F496 HydrophobicContact CE2-CZ 3.39Å; F250-F496 AromaticContact CZ-CE1 3.78Å; F250-F496 HydrophobicContact CZ-CE1 3.78Å; F250-F496 AromaticContact CZ-CZ 3.48Å; F250-F496 HydrophobicContact CZ-CZ 3.48Å; F250-F496 VanDerWaalsContact CZ-CZ 3.48Å
251	G	98.7	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	166.4	-179.8	0	0	0	0	0	111.4	I171 A256 I276 Q278	I171-G251 VanDerWaalsContact O-CA 3.29Å; I171-G251 WeakPolarHBondContact O-CA 3.34Å; G251-A256 WeakPolarHBondContact O-CB 3.49Å; G251-I276 PolarHBondContact N-O 3.32Å; G251-Q278 VanDerWaalsContact O-CB 3.28Å; G251-Q278 WeakPolarHBondContact O-CB 3.43Å; G251-Q278 PolarHBondContact O-N 3.08Å; G251-Q278 VanDerWaalsContact O-N 3.11Å
252	S	98.1	Very high	98.1	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.014	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.9	176.3	176	0	0	0	0	110.9	G173 I254 G255 Q278 E491	G173-S252 WeakPolarHBondContact CA-O 3.33Å; S252-I254 PolarHBondContact O-N 3.32Å; S252-G255 WeakPolarHBondContact O-CA 3.26Å; S252-G255 PolarHBondContact O-N 3.25Å; S252-Q278 CarbonylContact C-O 3.58Å; S252-Q278 VanDerWaalsContact CA-O 3.32Å; S252-Q278 WeakPolarHBondContact CA-O 3.48Å; S252-E491 PolarHBondContact OG-OE1 2.93Å; S252-E491 VanDerWaalsContact OG-OE1 3.12Å
253	G	96.6	Very high	98.1	Very high	5 Å²	5	11.4 Å²	11.4	5%	0.052	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-127.6	179.7	0	0	0	0	0	111.5	G255 A256 S257 Q278 S279 H488	G253-G255 PolarHBondContact O-N 2.89Å; G253-G255 VanDerWaalsContact O-N 3.17Å; G253-A256 WeakPolarHBondContact O-CA 3.44Å; G253-A256 VanDerWaalsContact O-CB 3.26Å; G253-A256 WeakPolarHBondContact O-CB 3.18Å; G253-A256 PolarHBondContact O-N 2.9Å; G253-S257 PolarHBondContact O-N 2.03Å; G253-Q278 PolarHBondContact N-O 2.84Å; G253-S279 WeakPolarHBondContact CA-O 3.4Å; G253-H488 WeakPolarHBondContact CA-NE2 3.49Å
254	I	96.1	Very high	98.1	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-57.4	-26.9	171.6	-70.6	-54.4	0	0	0	113.3	M123 G174 Y176 S252 A256 S257 C258	M123-I254 HydrophobicContact CE-CD1 4.03Å; M123-I254 HydrophobicContact CE-CG1 4.19Å; G174-I254 VanDerWaalsContact O-CB 3.26Å; G174-I254 WeakPolarHBondContact O-CB 3.3Å; G174-I254 WeakPolarHBondContact O-CG1 3.3Å; Y176-I254 HydrophobicContact CD1-CG2 3.37Å; Y176-I254 HydrophobicContact CD2-CD1 4.18Å; Y176-I254 HydrophobicContact CD2-CG2 3.89Å; Y176-I254 HydrophobicContact CE1-CG2 3.35Å; Y176-I254 HydrophobicContact CE2-CD1 3.72Å; Y176-I254 HydrophobicContact CE2-CG1 4.44Å; Y176-I254 HydrophobicContact CE2-CG2 3.9Å; Y176-I254 HydrophobicContact CG-CG2 3.65Å; S252-I254 PolarHBondContact O-N 3.32Å; I254-A256 VanDerWaalsContact C-N 3.29Å; I254-A256 PolarHBondContact O-N 3.07Å; I254-S257 WeakPolarHBondContact O-CB 3.31Å; I254-S257 PolarHBondContact O-N 3.19Å; I254-C258 PolarHBondContact O-N 3.35Å; I254-C258 PolarHBondContact O-SG 3.45Å
255	G	98.3	Very high	98.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.7	-36	171.8	0	0	0	0	0	111.7	H172 S252 G253 C258 V259	H172-G255 WeakPolarHBondContact O-CA 3.21Å; S252-G255 WeakPolarHBondContact O-CA 3.26Å; S252-G255 PolarHBondContact O-N 3.25Å; G253-G255 PolarHBondContact O-N 2.89Å; G253-G255 VanDerWaalsContact O-N 3.17Å; G255-C258 WeakPolarHBondContact O-CB 3.33Å; G255-C258 PolarHBondContact O-N 3.46Å; G255-V259 WeakPolarHBondContact O-CG2 3.4Å; G255-V259 PolarHBondContact O-N 3.49Å
256	A	98.6	Very high	98.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-72.9	-36	173.7	0	0	0	0	0	112.3	G251 G253 I254 C258 V259 S260 I277 Q278	G251-A256 WeakPolarHBondContact O-CB 3.49Å; G253-A256 WeakPolarHBondContact O-CA 3.44Å; G253-A256 VanDerWaalsContact O-CB 3.26Å; G253-A256 WeakPolarHBondContact O-CB 3.18Å; G253-A256 PolarHBondContact O-N 2.9Å; I254-A256 VanDerWaalsContact C-N 3.29Å; I254-A256 PolarHBondContact O-N 3.07Å; A256-C258 VanDerWaalsContact C-N 3.31Å; A256-C258 PolarHBondContact O-N 3.16Å; A256-V259 PolarHBondContact O-N 3.33Å; A256-S260 WeakPolarHBondContact O-CB 3.49Å; A256-S260 PolarHBondContact O-N 3.42Å; A256-I277 HydrophobicContact CB-CG2 3.8Å; A256-Q278 WeakPolarHBondContact CB-O 3.39Å
257	S	98.6	Very high	98.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-59.3	-41.4	168.5	-63.5	0	0	0	0	111.6	G253 I254 S260 L261 S281	G253-S257 PolarHBondContact O-N 2.03Å; I254-S257 WeakPolarHBondContact O-CB 3.31Å; I254-S257 PolarHBondContact O-N 3.19Å; S257-S260 PolarHBondContact O-N 3.49Å; S257-L261 WeakPolarHBondContact O-CB 3.28Å; S257-L261 VanDerWaalsContact O-CG 3.31Å; S257-L261 WeakPolarHBondContact O-CG 3.31Å; S257-L261 PolarHBondContact O-N 2.75Å; S257-S281 WeakPolarHBondContact CB-O 3.48Å; S257-S281 PolarHBondContact OG-O 2.96Å
258	C	98.8	Very high	98	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.7	-49.3	171.2	-65.6	0	0	0	0	111.6	I171 L223 Q226 I254 G255 A256 S260 L261 L262	I171-C258 HydrophobicContact CD1-CB 4.48Å; I171-C258 HydrophobicContact CG2-CB 3.85Å; L223-C258 HydrophobicContact CD2-CB 4.35Å; Q226-C258 PolarHBondContact NE2-SG 3.41Å; Q226-C258 VanDerWaalsContact NE2-SG 3.43Å; I254-C258 PolarHBondContact O-N 3.35Å; I254-C258 PolarHBondContact O-SG 3.45Å; G255-C258 WeakPolarHBondContact O-CB 3.33Å; G255-C258 PolarHBondContact O-N 3.46Å; A256-C258 VanDerWaalsContact C-N 3.31Å; A256-C258 PolarHBondContact O-N 3.16Å; C258-S260 VanDerWaalsContact C-N 3.32Å; C258-S260 PolarHBondContact O-N 3.06Å; C258-L261 PolarHBondContact O-N 2.85Å; C258-L262 WeakPolarHBondContact O-CB 3.06Å; C258-L262 VanDerWaalsContact O-CG 3.27Å; C258-L262 WeakPolarHBondContact O-CG 3.36Å; C258-L262 PolarHBondContact O-N 3.29Å
259	V	98.8	Very high	97.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.7	-44.5	176.7	-179.2	0	0	0	0	111.7	I171 V249 G255 A256 L261 L262 T263 A275 I277	I171-V259 HydrophobicContact CD1-CG2 4.3Å; V249-V259 HydrophobicContact CB-CG1 4.42Å; V249-V259 HydrophobicContact CG1-CG1 4.45Å; V249-V259 HydrophobicContact CG1-CG2 3.82Å; G255-V259 WeakPolarHBondContact O-CG2 3.4Å; G255-V259 PolarHBondContact O-N 3.49Å; A256-V259 PolarHBondContact O-N 3.33Å; V259-L261 PolarHBondContact O-N 3.31Å; V259-L262 PolarHBondContact O-N 3Å; V259-T263 PolarHBondContact O-N 3.44Å; V259-A275 HydrophobicContact CG1-CB 3.58Å; V259-I277 HydrophobicContact CB-CG1 4.37Å; V259-I277 HydrophobicContact CG1-CG1 3.98Å
260	S	98.6	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-41.7	178.1	-169.2	0	0	0	0	112.3	A256 S257 C258 T263 L264 A282	A256-S260 WeakPolarHBondContact O-CB 3.49Å; A256-S260 PolarHBondContact O-N 3.42Å; S257-S260 PolarHBondContact O-N 3.49Å; C258-S260 VanDerWaalsContact C-N 3.32Å; C258-S260 PolarHBondContact O-N 3.06Å; S260-T263 PolarHBondContact O-N 3.25Å; S260-T263 PolarHBondContact O-OG1 3.38Å; S260-L264 WeakPolarHBondContact O-CG 3.28Å; S260-A282 WeakPolarHBondContact OG-CB 3.37Å; S260-A282 PolarHBondContact OG-N 2.72Å
261	L	98.8	Very high	97.5	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-68.9	-37.7	176	-71.9	166.1	0	0	0	111.8	L223 S257 C258 V259 T263 L264 S265 A282 V288 P341 I348 P352	L223-L261 HydrophobicContact CD1-CB 4.43Å; S257-L261 WeakPolarHBondContact O-CB 3.28Å; S257-L261 VanDerWaalsContact O-CG 3.31Å; S257-L261 WeakPolarHBondContact O-CG 3.31Å; S257-L261 PolarHBondContact O-N 2.75Å; C258-L261 PolarHBondContact O-N 2.85Å; V259-L261 PolarHBondContact O-N 3.31Å; L261-T263 VanDerWaalsContact C-N 3.31Å; L261-T263 PolarHBondContact O-N 3Å; L261-L264 PolarHBondContact O-N 2.87Å; L261-S265 PolarHBondContact O-N 2.62Å; L261-A282 HydrophobicContact CD2-CB 3.71Å; L261-A282 HydrophobicContact CG-CB 3.87Å; L261-V288 HydrophobicContact CD2-CG2 4.16Å; L261-P341 HydrophobicContact CD1-CB 3.67Å; L261-P341 HydrophobicContact CD1-CG 3.59Å; L261-I348 HydrophobicContact CB-CD1 4.02Å; L261-I348 HydrophobicContact CD2-CD1 3.87Å; L261-I348 HydrophobicContact CD2-CG1 4.49Å; L261-P352 HydrophobicContact CD2-CG 3.91Å
262	L	98.7	Very high	97.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-35.1	174.2	-71.8	173.3	0	0	0	112.2	I171 Q226 I227 L230 C258 V259 L264 S265 S268 F272	I171-L262 HydrophobicContact CD1-CD1 3.41Å; I171-L262 VanDerWaalsContact CD1-CD1 3.41Å; Q226-L262 HydrophobicContact CB-CD1 4.18Å; I227-L262 HydrophobicContact CD1-CD2 3.95Å; I227-L262 HydrophobicContact CG1-CD2 3.52Å; L230-L262 HydrophobicContact CD1-CD1 4.15Å; C258-L262 WeakPolarHBondContact O-CB 3.06Å; C258-L262 VanDerWaalsContact O-CG 3.27Å; C258-L262 WeakPolarHBondContact O-CG 3.36Å; C258-L262 PolarHBondContact O-N 3.29Å; V259-L262 PolarHBondContact O-N 3Å; L262-L264 PolarHBondContact O-N 3.42Å; L262-S265 PolarHBondContact O-N 3.24Å; L262-S268 WeakPolarHBondContact O-CB 3.31Å; L262-S268 PolarHBondContact O-OG 3Å; L262-F272 HydrophobicContact CB-CE1 4.18Å; L262-F272 HydrophobicContact CB-CZ 4.21Å
263	T	98.2	Very high	97.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-16.4	173.6	54.7	0	0	0	0	114.1	V259 S260 L261 F272 A275 F361 Y364	V259-T263 PolarHBondContact O-N 3.44Å; S260-T263 PolarHBondContact O-N 3.25Å; S260-T263 PolarHBondContact O-OG1 3.38Å; L261-T263 VanDerWaalsContact C-N 3.31Å; L261-T263 PolarHBondContact O-N 3Å; T263-F272 HydrophobicContact CG2-CE2 3.77Å; T263-F272 HydrophobicContact CG2-CZ 3.8Å; T263-A275 HydrophobicContact CG2-CB 3.95Å; T263-F361 VanDerWaalsContact O-CA 3.29Å; T263-F361 WeakPolarHBondContact O-CA 3.18Å; T263-F361 WeakPolarHBondContact O-CB 3Å; T263-Y364 HydrophobicContact CG2-CD2 3.66Å; T263-Y364 HydrophobicContact CG2-CE2 3.95Å; T263-Y364 HydrophobicContact CG2-CG 4.16Å; T263-Y364 WeakPolarHBondContact O-CE2 3.35Å
264	L	97.8	Very high	97.6	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	1.9	178.4	-59.5	167.6	0	0	0	112.9	S260 L261 L262 A282 P352 L355 M356 F361	S260-L264 WeakPolarHBondContact O-CG 3.28Å; L261-L264 PolarHBondContact O-N 2.87Å; L262-L264 PolarHBondContact O-N 3.42Å; L264-A282 HydrophobicContact CD1-CB 4.16Å; L264-P352 HydrophobicContact CD1-CB 3.88Å; L264-L355 HydrophobicContact CB-CB 4.33Å; L264-L355 HydrophobicContact CB-CD1 4.09Å; L264-L355 HydrophobicContact CD1-CB 4.47Å; L264-L355 HydrophobicContact CD2-CB 3.9Å; L264-L355 HydrophobicContact CG-CB 4.44Å; L264-M356 HydrophobicContact CD1-CE 3.88Å; L264-M356 HydrophobicContact CD1-CG 4.1Å; L264-M356 HydrophobicContact CD2-CG 3.74Å; L264-F361 HydrophobicContact CD2-CB 3.78Å; L264-F361 HydrophobicContact CD2-CD1 4.41Å; L264-F361 HydrophobicContact CD2-CD2 4.23Å; L264-F361 HydrophobicContact CD2-CG 3.91Å
265	S	97.6	Very high	97.7	Very high	4 Å²	4	21 Å²	21	3%	0.028	11%	0.113	C	C	.	.			trans	-102.9	122.1	-177.8	-168.8	0	0	0	0	111.6	L261 L262 H267 S268 V347	L261-S265 PolarHBondContact O-N 2.62Å; L262-S265 PolarHBondContact O-N 3.24Å; S265-H267 PolarHBondContact O-N 3.18Å; S265-H267 VanDerWaalsContact O-N 3.13Å; S265-S268 VanDerWaalsContact O-CB 3.26Å; S265-S268 WeakPolarHBondContact O-CB 3.28Å; S265-S268 PolarHBondContact O-N 3.46Å; S265-V347 WeakPolarHBondContact CB-O 3.29Å; S265-V347 PolarHBondContact OG-O 3.09Å
266	H	95.9	Very high	97.7	Very high	89 Å²	89	21 Å²	21	41%	0.412	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-59.2	-24.1	174.6	78.1	-90.9	0	0	0	112.7	S268 E269 D346	H266-S268 PolarHBondContact O-N 3Å; H266-E269 PolarHBondContact O-N 2.89Å; H266-D346 PolarHBondContact CE1-O 2.84Å; H266-D346 PolarHBondContact ND1-O 3.41Å
267	H	96.8	Very high	97.7	Very high	46 Å²	46	21 Å²	21	21%	0.213	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-67.6	-13.7	174	-72	-88.4	0	0	0	114	I227 R231 S265 D346	I227-H267 HydrophobicContact CD1-CB 3.84Å; I227-H267 HydrophobicContact CG2-CB 4.36Å; R231-H267 PolarHBondContact NH2-O 2.88Å; S265-H267 PolarHBondContact O-N 3.18Å; S265-H267 VanDerWaalsContact O-N 3.13Å; H267-D346 IonicContact CD2-OD1 3.82Å; H267-D346 IonicContact CE1-OD1 2.71Å; H267-D346 IonicContact NE2-OD1 3.33Å; H267-D346 PolarHBondContact NE2-OD1 3.15Å
268	S	96.2	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-90.8	-13.4	178.1	-62.1	0	0	0	0	114.6	L262 S265 H266 G270 L271	L262-S268 WeakPolarHBondContact O-CB 3.31Å; L262-S268 PolarHBondContact O-OG 3Å; S265-S268 VanDerWaalsContact O-CB 3.26Å; S265-S268 WeakPolarHBondContact O-CB 3.28Å; S265-S268 PolarHBondContact O-N 3.46Å; H266-S268 PolarHBondContact O-N 3Å; S268-G270 PolarHBondContact O-N 3.06Å; S268-L271 VanDerWaalsContact O-CB 3.3Å; S268-L271 WeakPolarHBondContact O-CB 3.42Å; S268-L271 WeakPolarHBondContact O-CG 3.31Å; S268-L271 PolarHBondContact O-N 3.32Å
269	E	94.2	Very high	97.7	Very high	120 Å²	120	21 Å²	21	56%	0.561	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	130.3	-170.4	-75.3	178.9	-136.7	0	0	112.8	H266 L271	H266-E269 PolarHBondContact O-N 2.89Å; E269-L271 PolarHBondContact O-N 3.04Å; E269-L271 VanDerWaalsContact O-N 3.15Å
270	G	94.3	Very high	97.6	Very high	57 Å²	57	21.1 Å²	21.1	59%	0.588	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	0	179.9	0	0	0	0	0	115.7	S268	S268-G270 PolarHBondContact O-N 3.06Å
271	L	97.8	Very high	97.6	Very high	17 Å²	17	21.1 Å²	21.1	9%	0.089	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-26.4	176.8	-54.6	-175.2	0	0	0	113	I227 L230 R231 I247 S268 E269	I227-L271 HydrophobicContact CG2-CD1 3.98Å; L230-L271 HydrophobicContact CB-CB 4.07Å; L230-L271 HydrophobicContact CB-CD1 4.12Å; R231-L271 HydrophobicContact CG-CD1 3.65Å; R231-L271 HydrophobicContact CG-CD2 3.65Å; R231-L271 HydrophobicContact CG-CG 4.33Å; I247-L271 WeakPolarHBondContact CD1-O 3.37Å; S268-L271 VanDerWaalsContact O-CB 3.3Å; S268-L271 WeakPolarHBondContact O-CB 3.42Å; S268-L271 WeakPolarHBondContact O-CG 3.31Å; S268-L271 PolarHBondContact O-N 3.32Å; E269-L271 PolarHBondContact O-N 3.04Å; E269-L271 VanDerWaalsContact O-N 3.15Å
272	F	98.4	Very high	97.5	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.018	11%	0.114	C	C	.	.			trans	-148.1	169	173.5	67.4	-89.7	0	0	0	111.4	L230 I247 V249 L262 T263 R274 Y364	L230-F272 HydrophobicContact CD1-CD1 4Å; L230-F272 HydrophobicContact CD1-CE1 4.28Å; I247-F272 HydrophobicContact CB-CB 4.15Å; I247-F272 HydrophobicContact CG2-CB 3.68Å; V249-F272 HydrophobicContact CB-CD2 4.39Å; V249-F272 HydrophobicContact CB-CG 4.49Å; V249-F272 HydrophobicContact CG2-CB 3.6Å; V249-F272 HydrophobicContact CG2-CD1 3.72Å; V249-F272 HydrophobicContact CG2-CD2 3.77Å; V249-F272 HydrophobicContact CG2-CE1 4.25Å; V249-F272 HydrophobicContact CG2-CE2 4.32Å; V249-F272 HydrophobicContact CG2-CG 3.43Å; V249-F272 VanDerWaalsContact CG2-CG 3.43Å; L262-F272 HydrophobicContact CB-CE1 4.18Å; L262-F272 HydrophobicContact CB-CZ 4.21Å; T263-F272 HydrophobicContact CG2-CE2 3.77Å; T263-F272 HydrophobicContact CG2-CZ 3.8Å; F272-R274 WeakPolarHBondContact CD2-O 3.36Å; F272-Y364 AromaticContact CD2-CD1 3.86Å; F272-Y364 HydrophobicContact CD2-CD1 3.86Å; F272-Y364 AromaticContact CD2-CE1 3.84Å; F272-Y364 HydrophobicContact CD2-CE1 3.84Å; F272-Y364 AromaticContact CE2-CD1 3.68Å; F272-Y364 HydrophobicContact CE2-CD1 3.68Å; F272-Y364 AromaticContact CE2-CE1 3.61Å; F272-Y364 HydrophobicContact CE2-CE1 3.61Å; F272-Y364 HydrophobicContact CE2-CG 4.23Å; F272-Y364 HydrophobicContact CG-CE1 4.4Å; F272-Y364 HydrophobicContact CZ-CD1 4.48Å; F272-Y364 HydrophobicContact CZ-CE1 4Å; F272-Y364 WeakPolarHBondContact O-CE1 3.33Å
273	H	97.9	Very high	97.5	Very high	64 Å²	64	23.1 Å²	23.1	30%	0.296	13%	0.125	S	C	.	.	S	Bend	trans	-124.4	-17.5	-168.9	-62	69.4	0	0	0	112.9	S244 N245 I247 D365	S244-H273 PolarHBondContact O-CE1 2.79Å; N245-H273 PolarHBondContact O-CD2 3.45Å; I247-H273 PolarHBondContact O-N 2.9Å; H273-D365 PolarHBondContact O-N 3.16Å
274	R	98.6	Very high	97.4	Very high	31 Å²	31	23.3 Å²	23.3	12%	0.117	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.8	-175.8	-49.1	-170.1	162.7	82.2	29.8	112.1	T248 V249 F272 D365 F529 A530	T248-R274 WeakPolarHBondContact CA-O 3.32Å; T248-R274 HydrophobicContact CG2-CB 3.86Å; V249-R274 PolarHBondContact N-O 3.49Å; F272-R274 WeakPolarHBondContact CD2-O 3.36Å; R274-D365 CarbonylContact C-O 3.6Å; R274-D365 VanDerWaalsContact CA-O 3.23Å; R274-D365 WeakPolarHBondContact CA-O 3.37Å; R274-D365 HydrophobicContact CB-CB 4.33Å; R274-D365 HydrophobicContact CG-CB 3.92Å; R274-D365 IonicContact CZ-OD2 3.27Å; R274-D365 VanDerWaalsContact CZ-OD2 3.27Å; R274-D365 IonicContact NE-OD2 2.73Å; R274-D365 PolarHBondContact NE-OD2 3.21Å; R274-D365 IonicContact NH2-OD2 2.91Å; R274-D365 PolarHBondContact NH2-OD2 2.98Å; R274-F529 HydrophobicContact CB-CE1 3.91Å; R274-F529 HydrophobicContact CB-CZ 4.3Å; R274-F529 WeakPolarHBondContact CD-O 3.37Å; R274-F529 PolarHBondContact NE-O 2.79Å; R274-A530 PolarHBondContact NH1-O 3.15Å
275	A	98.8	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.7	173	0	0	0	0	0	111.6	V249 V259 T263 I277 D365 I366 M367 F529	V249-A275 CarbonylContact O-C 3.58Å; V249-A275 WeakPolarHBondContact O-CA 3.45Å; V259-A275 HydrophobicContact CG1-CB 3.58Å; T263-A275 HydrophobicContact CG2-CB 3.95Å; A275-I277 HydrophobicContact CB-CD1 4.32Å; A275-I277 HydrophobicContact CB-CG1 4.15Å; A275-D365 PolarHBondContact N-O 3.21Å; A275-I366 HydrophobicContact CB-CG1 4.21Å; A275-I366 WeakPolarHBondContact O-CA 3.06Å; A275-M367 PolarHBondContact O-N 3.16Å; A275-F529 WeakPolarHBondContact O-CE1 3.31Å
276	I	98.9	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.5	162.1	-44.8	176	0	0	0	109.1	M168 T248 V249 F250 G251 Q278 M367 W526 F529	M168-I276 HydrophobicContact CE-CD1 3.96Å; T248-I276 HydrophobicContact CG2-CD1 4.14Å; T248-I276 HydrophobicContact CG2-CG1 3.98Å; V249-I276 PolarHBondContact O-N 3.46Å; F250-I276 VanDerWaalsContact CA-O 3.27Å; F250-I276 WeakPolarHBondContact CA-O 3.37Å; F250-I276 HydrophobicContact CB-CB 3.68Å; F250-I276 HydrophobicContact CB-CD1 4.43Å; F250-I276 HydrophobicContact CB-CG1 4.26Å; G251-I276 PolarHBondContact N-O 3.32Å; I276-Q278 HydrophobicContact CG2-CG 4.16Å; I276-M367 CarbonylContact C-O 3.52Å; I276-M367 VanDerWaalsContact CA-O 3.27Å; I276-M367 WeakPolarHBondContact CA-O 3.29Å; I276-M367 HydrophobicContact CB-CB 4.48Å; I276-M367 HydrophobicContact CD1-SD 4.37Å; I276-M367 HydrophobicContact CG1-CB 4.25Å; I276-M367 HydrophobicContact CG1-SD 4.47Å; I276-M367 HydrophobicContact CG2-CB 4.07Å; I276-M367 HydrophobicContact CG2-CG 3.99Å; I276-M367 HydrophobicContact CG2-SD 3.77Å; I276-W526 HydrophobicContact CD1-CB 4.38Å; I276-W526 HydrophobicContact CD1-CG 4Å; I276-W526 HydrophobicContact CG2-CZ2 4.45Å; I276-F529 HydrophobicContact CD1-CD1 3.88Å; I276-F529 HydrophobicContact CD1-CE1 4.46Å; I276-F529 HydrophobicContact CG1-CD1 3.69Å; I276-F529 HydrophobicContact CG1-CE1 3.75Å
277	I	98.9	Very high	97.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	93.8	-169.6	-56.6	177	0	0	0	108.1	A256 V259 A275 G280 I366 M367 L368 G369	A256-I277 HydrophobicContact CB-CG2 3.8Å; V259-I277 HydrophobicContact CB-CG1 4.37Å; V259-I277 HydrophobicContact CG1-CG1 3.98Å; A275-I277 HydrophobicContact CB-CD1 4.32Å; A275-I277 HydrophobicContact CB-CG1 4.15Å; I277-G280 WeakPolarHBondContact CG2-O 3.36Å; I277-I366 HydrophobicContact CD1-CG2 3.99Å; I277-I366 HydrophobicContact CG1-CG2 4.46Å; I277-M367 PolarHBondContact N-O 2.64Å; I277-L368 HydrophobicContact CB-CB 3.9Å; I277-L368 VanDerWaalsContact O-CA 3.28Å; I277-L368 WeakPolarHBondContact O-CA 3.37Å; I277-L368 WeakPolarHBondContact O-CB 3.44Å; I277-G369 PolarHBondContact O-N 3.47Å
278	Q	98.8	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.8	-176	-54.5	169.6	-158	0	0	110.9	G251 S252 G253 A256 I276 G280 Y469 E491 W526	G251-Q278 VanDerWaalsContact O-CB 3.28Å; G251-Q278 WeakPolarHBondContact O-CB 3.43Å; G251-Q278 PolarHBondContact O-N 3.08Å; G251-Q278 VanDerWaalsContact O-N 3.11Å; S252-Q278 CarbonylContact C-O 3.58Å; S252-Q278 VanDerWaalsContact CA-O 3.32Å; S252-Q278 WeakPolarHBondContact CA-O 3.48Å; G253-Q278 PolarHBondContact N-O 2.84Å; A256-Q278 WeakPolarHBondContact CB-O 3.39Å; I276-Q278 HydrophobicContact CG2-CG 4.16Å; Q278-G280 VanDerWaalsContact C-N 3.34Å; Q278-G280 PolarHBondContact O-N 2.81Å; Q278-Y469 WeakPolarHBondContact CA-OH 3.35Å; Q278-Y469 WeakPolarHBondContact CB-OH 3.33Å; Q278-Y469 WeakPolarHBondContact CG-OH 3.44Å; Q278-E491 PolarHBondContact NE2-OE1 2.84Å; Q278-W526 HydrophobicContact CG-CZ2 4.33Å
279	S	98.1	Very high	97.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	53.1	46.3	171.1	-63	0	0	0	0	113.8	G253 G369 E374 W448 H488	G253-S279 WeakPolarHBondContact CA-O 3.4Å; S279-G369 PolarHBondContact N-O 3.19Å; S279-E374 WeakPolarHBondContact CB-OE1 3.49Å; S279-E374 PolarHBondContact OG-OE1 3.4Å; S279-W448 VanDerWaalsContact C-CD1 3.47Å; S279-W448 PolarHBondContact O-NE1 2.96Å; S279-W448 VanDerWaalsContact O-NE1 3.1Å; S279-H488 PolarHBondContact O-CE1 3.09Å
280	G	96.9	Very high	97.4	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	10%	0.101	C	C	.	.			trans	-172.5	169.8	176.5	0	0	0	0	0	112.6	I277 Q278	I277-G280 WeakPolarHBondContact CG2-O 3.36Å; Q278-G280 VanDerWaalsContact C-N 3.34Å; Q278-G280 PolarHBondContact O-N 2.81Å
281	S	97.1	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.095	C	C	.	.			trans	-157.2	164.7	176.8	174.3	0	0	0	0	109.3	S257 L283 A287 T455	S257-S281 WeakPolarHBondContact CB-O 3.48Å; S257-S281 PolarHBondContact OG-O 2.96Å; S281-L283 PolarHBondContact O-N 3.06Å; S281-L283 PolarHBondContact OG-N 2.95Å; S281-L283 VanDerWaalsContact OG-N 3.08Å; S281-A287 WeakPolarHBondContact O-CB 3.21Å; S281-T455 PolarHBondContact OG-OG1 2.85Å
282	A	97.9	Very high	97.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	10%	0.096	C	C	.	.	S	Bend	trans	-70.5	-13.9	165.2	0	0	0	0	0	113.3	S260 L261 L264 A287 P352 M356	S260-A282 WeakPolarHBondContact OG-CB 3.37Å; S260-A282 PolarHBondContact OG-N 2.72Å; L261-A282 HydrophobicContact CD2-CB 3.71Å; L261-A282 HydrophobicContact CG-CB 3.87Å; L264-A282 HydrophobicContact CD1-CB 4.16Å; A282-A287 WeakPolarHBondContact O-CB 3.27Å; A282-P352 HydrophobicContact CB-CB 3.7Å; A282-P352 HydrophobicContact CB-CG 4.2Å; A282-M356 HydrophobicContact CB-CE 4.05Å
283	L	97.8	Very high	97.5	Very high	44 Å²	44	23 Å²	23	23%	0.23	11%	0.112	C	C	.	.	S	Bend	trans	-92.1	-13	-173.9	-53	177.4	0	0	0	114.6	S281 P352 E353 M356 P451 V454	S281-L283 PolarHBondContact O-N 3.06Å; S281-L283 PolarHBondContact OG-N 2.95Å; S281-L283 VanDerWaalsContact OG-N 3.08Å; L283-P352 HydrophobicContact CD2-CB 4.12Å; L283-E353 HydrophobicContact CD2-CB 3.83Å; L283-E353 HydrophobicContact CD2-CG 4.47Å; L283-M356 HydrophobicContact CD1-CE 4.39Å; L283-M356 HydrophobicContact CD1-SD 3.97Å; L283-M356 HydrophobicContact CD2-CE 4.2Å; L283-M356 HydrophobicContact CD2-SD 4.25Å; L283-M356 HydrophobicContact CG-CE 4.04Å; L283-M356 HydrophobicContact CG-SD 4.2Å; L283-P451 HydrophobicContact CB-CB 4.17Å; L283-V454 HydrophobicContact CD1-CB 3.96Å; L283-V454 HydrophobicContact CD1-CG1 3.6Å
284	S	96.2	Very high	97.5	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.035	12%	0.119	C	C	.	.	S	Bend	trans	-65.9	146.9	178.4	-55.1	0	0	0	0	111.5	W286 A287 Q447	S284-W286 PolarHBondContact O-N 2.85Å; S284-A287 VanDerWaalsContact O-CB 3.25Å; S284-A287 WeakPolarHBondContact O-CB 3.37Å; S284-A287 PolarHBondContact O-N 3.24Å; S284-Q447 PolarHBondContact OG-O 2.62Å
285	S	95.1	Very high	97.5	Very high	23 Å²	23	23.6 Å²	23.6	16%	0.161	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.1	-176.6	65.2	0	0	0	0	116	Y335 H336 Q447	S285-Y335 CarbonylContact C-O 3.52Å; S285-Y335 WeakPolarHBondContact CB-O 3.31Å; S285-Y335 PolarHBondContact OG-O 3.13Å; S285-H336 PolarHBondContact O-CD2 3.3Å; S285-Q447 PolarHBondContact OG-NE2 3.36Å
286	W	94.8	Very high	97.4	Very high	7 Å²	7	23.7 Å²	23.7	3%	0.027	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-1.1	178.3	49.1	50.5	0	0	0	114.5	M123 Y176 S284 Y335 V337 F443 Q447 W448	M123-W286 HydrophobicContact CE-CB 3.58Å; M123-W286 HydrophobicContact CE-CD2 4.14Å; M123-W286 HydrophobicContact CE-CE3 4.46Å; M123-W286 HydrophobicContact CE-CG 3.78Å; M123-W286 HydrophobicContact CG-CD2 3.84Å; M123-W286 HydrophobicContact CG-CE3 3.39Å; M123-W286 HydrophobicContact CG-CG 4.46Å; M123-W286 HydrophobicContact CG-CH2 4.19Å; M123-W286 HydrophobicContact CG-CZ3 3.58Å; M123-W286 HydrophobicContact SD-CB 3.93Å; M123-W286 HydrophobicContact SD-CD2 4.11Å; M123-W286 HydrophobicContact SD-CE3 3.82Å; M123-W286 HydrophobicContact SD-CG 4.21Å; Y176-W286 WeakPolarHBondContact CE2-O 3.33Å; S284-W286 PolarHBondContact O-N 2.85Å; W286-Y335 PolarHBondContact N-O 3.21Å; W286-V337 HydrophobicContact CB-CG1 4.08Å; W286-V337 WeakPolarHBondContact O-CG1 3.46Å; W286-V337 WeakPolarHBondContact O-CG2 3.44Å; W286-F443 HydrophobicContact CH2-CE1 4.03Å; W286-F443 HydrophobicContact CH2-CZ 4.11Å; W286-F443 HydrophobicContact CZ3-CE1 4.21Å; W286-F443 AromaticContact CZ3-CZ 3.86Å; W286-F443 HydrophobicContact CZ3-CZ 3.86Å; W286-Q447 HydrophobicContact CH2-CB 3.56Å; W286-Q447 HydrophobicContact CH2-CG 3.62Å; W286-Q447 HydrophobicContact CZ2-CB 3.65Å; W286-Q447 HydrophobicContact CZ2-CG 4.17Å; W286-Q447 HydrophobicContact CZ3-CB 4.34Å; W286-Q447 HydrophobicContact CZ3-CG 3.94Å; W286-W448 AromaticContact CH2-CH2 3.61Å; W286-W448 HydrophobicContact CH2-CH2 3.61Å; W286-W448 AromaticContact CH2-CZ2 3.75Å; W286-W448 HydrophobicContact CH2-CZ2 3.75Å; W286-W448 HydrophobicContact CH2-CZ3 4Å; W286-W448 HydrophobicContact CZ2-CD2 4.25Å; W286-W448 AromaticContact CZ2-CE2 3.77Å; W286-W448 AromaticContact CZ2-CH2 3.97Å; W286-W448 HydrophobicContact CZ2-CH2 3.97Å; W286-W448 AromaticContact CZ2-CZ2 3.63Å; W286-W448 HydrophobicContact CZ2-CZ2 3.63Å; W286-W448 HydrophobicContact CZ2-CZ3 4.38Å
287	A	96.8	Very high	97.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-34	-177.2	0	0	0	0	0	112.5	Y176 S281 A282 S284	Y176-A287 WeakPolarHBondContact CE2-O 3.48Å; Y176-A287 PolarHBondContact OH-O 3.35Å; S281-A287 WeakPolarHBondContact O-CB 3.21Å; A282-A287 WeakPolarHBondContact O-CB 3.27Å; S284-A287 VanDerWaalsContact O-CB 3.25Å; S284-A287 WeakPolarHBondContact O-CB 3.37Å; S284-A287 PolarHBondContact O-N 3.24Å
288	V	97.9	Very high	97.3	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	15%	0.153	C	C	.	.	S	Bend	trans	-129.1	143.2	-176.9	176	0	0	0	0	110.6	L261 Y290 P341 I343 P352	L261-V288 HydrophobicContact CD2-CG2 4.16Å; V288-Y290 HydrophobicContact CB-CE2 3.84Å; V288-Y290 HydrophobicContact CG1-CD1 4.36Å; V288-Y290 HydrophobicContact CG1-CD2 4.36Å; V288-Y290 HydrophobicContact CG1-CE1 3.97Å; V288-Y290 HydrophobicContact CG1-CE2 3.97Å; V288-P341 CarbonylContact C-O 3.51Å; V288-P341 WeakPolarHBondContact CA-O 3.43Å; V288-I343 HydrophobicContact CG1-CG1 4.32Å; V288-P352 HydrophobicContact CG2-CG 3.92Å
289	N	97.7	Very high	97.2	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.037	15%	0.153	C	C	.	.			trans	-95.5	102	174.6	-179.5	7.3	0	0	0	110.6	Q291 P292 V337 A338 P341 V342	N289-Q291 VanDerWaalsContact C-N 3.27Å; N289-Q291 PolarHBondContact O-N 2.92Å; N289-Q291 PolarHBondContact OD1-N 2.91Å; N289-P292 WeakPolarHBondContact O-CD 3.44Å; N289-V337 HydrophobicContact CB-CG2 4.23Å; N289-A338 PolarHBondContact ND2-O 3.49Å; N289-P341 PolarHBondContact N-O 2.66Å; N289-V342 HydrophobicContact CB-CG1 4.14Å
290	Y	96.8	Very high	97.2	Very high	123 Å²	123	32.4 Å²	32.4	48%	0.482	15%	0.153	S	C	.	.	S	Bend	trans	-81.7	2.2	176.2	-59.4	-84.6	0	0	0	114	V288 I343 D351	V288-Y290 HydrophobicContact CB-CE2 3.84Å; V288-Y290 HydrophobicContact CG1-CD1 4.36Å; V288-Y290 HydrophobicContact CG1-CD2 4.36Å; V288-Y290 HydrophobicContact CG1-CE1 3.97Å; V288-Y290 HydrophobicContact CG1-CE2 3.97Å; Y290-I343 HydrophobicContact CD1-CD1 4.3Å; Y290-I343 HydrophobicContact CE1-CD1 3.75Å; Y290-D351 PolarHBondContact OH-OD2 3.07Å
291	Q	97.3	Very high	97.3	Very high	98 Å²	98	38.2 Å²	38.2	46%	0.458	18%	0.179	S	C	.	.			trans	-133.5	44.7	-178.5	-60.5	-171.4	-10.2	0	0	114.3	N289 V293 K294 Y295	N289-Q291 VanDerWaalsContact C-N 3.27Å; N289-Q291 PolarHBondContact O-N 2.92Å; N289-Q291 PolarHBondContact OD1-N 2.91Å; Q291-V293 PolarHBondContact O-N 2.98Å; Q291-K294 HydrophobicContact CB-CB 4.32Å; Q291-K294 HydrophobicContact CB-CD 4.09Å; Q291-K294 WeakPolarHBondContact O-CB 3.18Å; Q291-K294 PolarHBondContact O-N 2.93Å; Q291-Y295 HydrophobicContact CB-CD2 4.47Å; Q291-Y295 HydrophobicContact CB-CE2 3.96Å; Q291-Y295 VanDerWaalsContact O-CD2 3.26Å; Q291-Y295 WeakPolarHBondContact O-CD2 3.5Å
292	P	97.7	Very high	97.3	Very high	17 Å²	17	42.9 Å²	42.9	11%	0.11	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-41.6	-173.1	24.3	-33.4	0	0	0	113.3	N289 K294 Y295 T296 V342	N289-P292 WeakPolarHBondContact O-CD 3.44Å; P292-K294 PolarHBondContact O-N 2.84Å; P292-K294 VanDerWaalsContact O-N 3.13Å; P292-Y295 PolarHBondContact O-N 2.82Å; P292-T296 WeakPolarHBondContact O-CB 3.46Å; P292-T296 PolarHBondContact O-N 3.32Å; P292-T296 PolarHBondContact O-OG1 3.06Å; P292-T296 VanDerWaalsContact O-OG1 3.13Å; P292-V342 HydrophobicContact CB-CG1 3.84Å; P292-V342 HydrophobicContact CG-CG1 3.88Å
293	V	97.9	Very high	97.3	Very high	59 Å²	59	43.3 Å²	43.3	36%	0.358	20%	0.202	S	C	.	.	H	α-helix	trans	-55	-35.6	-179.6	-162.9	0	0	0	0	112.4	T212 Q291 R297	T212-V293 WeakPolarHBondContact O-CG2 3.49Å; Q291-V293 PolarHBondContact O-N 2.98Å; V293-R297 WeakPolarHBondContact O-CB 3.43Å; V293-R297 VanDerWaalsContact O-CG 3.29Å; V293-R297 WeakPolarHBondContact O-CG 3.24Å; V293-R297 PolarHBondContact O-N 2.93Å; V293-R297 VanDerWaalsContact O-N 3.16Å
294	K	97.6	Very high	97.3	Very high	101 Å²	101	44.3 Å²	44.3	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-68.2	-52.3	179.2	170.3	-163.3	176.4	-164.9	0	111	Q291 P292 R297 L298	Q291-K294 HydrophobicContact CB-CB 4.32Å; Q291-K294 HydrophobicContact CB-CD 4.09Å; Q291-K294 WeakPolarHBondContact O-CB 3.18Å; Q291-K294 PolarHBondContact O-N 2.93Å; P292-K294 PolarHBondContact O-N 2.84Å; P292-K294 VanDerWaalsContact O-N 3.13Å; K294-R297 PolarHBondContact O-N 2.87Å; K294-L298 PolarHBondContact O-N 3.28Å
295	Y	97.7	Very high	97.4	Very high	6 Å²	6	44.2 Å²	44.2	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-72.9	-37.4	-176.2	-57.7	-61.5	0	0	0	112.2	Q291 P292 R297 L298 L299 I330 P332 A333 A338	Q291-Y295 HydrophobicContact CB-CD2 4.47Å; Q291-Y295 HydrophobicContact CB-CE2 3.96Å; Q291-Y295 VanDerWaalsContact O-CD2 3.26Å; Q291-Y295 WeakPolarHBondContact O-CD2 3.5Å; P292-Y295 PolarHBondContact O-N 2.82Å; Y295-R297 PolarHBondContact O-N 3.28Å; Y295-L298 PolarHBondContact O-N 2.87Å; Y295-L299 WeakPolarHBondContact O-CB 3.39Å; Y295-L299 PolarHBondContact O-N 3.38Å; Y295-I330 HydrophobicContact CD1-CG2 4.07Å; Y295-P332 HydrophobicContact CE1-CB 4.45Å; Y295-A333 PolarHBondContact OH-N 3.33Å; Y295-A338 WeakPolarHBondContact CB-O 3.23Å; Y295-A338 HydrophobicContact CD1-CB 4.04Å; Y295-A338 HydrophobicContact CD2-CB 4.27Å; Y295-A338 WeakPolarHBondContact CD2-O 3.4Å; Y295-A338 HydrophobicContact CE1-CB 4.44Å; Y295-A338 HydrophobicContact CG-CB 3.96Å
296	T	98.3	Very high	97.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-42.6	172.4	-64.3	0	0	0	0	112.1	L210 S211 T212 P292 A300 M313	L210-T296 HydrophobicContact CD1-CG2 4.09Å; L210-T296 HydrophobicContact CD2-CG2 4.03Å; L210-T296 HydrophobicContact CG-CG2 3.91Å; S211-T296 VanDerWaalsContact O-CB 3.31Å; S211-T296 WeakPolarHBondContact O-CB 3.33Å; S211-T296 PolarHBondContact O-OG1 3.48Å; T212-T296 HydrophobicContact CG2-CG2 4.15Å; P292-T296 WeakPolarHBondContact O-CB 3.46Å; P292-T296 PolarHBondContact O-N 3.32Å; P292-T296 PolarHBondContact O-OG1 3.06Å; P292-T296 VanDerWaalsContact O-OG1 3.13Å; T296-A300 WeakPolarHBondContact O-CB 3.47Å; T296-A300 PolarHBondContact O-N 3.22Å; T296-M313 HydrophobicContact CG2-CE 3.87Å
297	R	97.5	Very high	97.2	Very high	118 Å²	118	50 Å²	50	45%	0.445	25%	0.254	S	S	.	.	H	α-helix	trans	-68.5	-39.7	175.1	-77.3	-179.3	174.8	-170.1	-1.4	112.9	V293 K294 Y295 L299 A300 E301 M313	V293-R297 WeakPolarHBondContact O-CB 3.43Å; V293-R297 VanDerWaalsContact O-CG 3.29Å; V293-R297 WeakPolarHBondContact O-CG 3.24Å; V293-R297 PolarHBondContact O-N 2.93Å; V293-R297 VanDerWaalsContact O-N 3.16Å; K294-R297 PolarHBondContact O-N 2.87Å; Y295-R297 PolarHBondContact O-N 3.28Å; R297-L299 VanDerWaalsContact C-N 3.34Å; R297-L299 PolarHBondContact O-N 3.39Å; R297-A300 PolarHBondContact O-N 2.93Å; R297-E301 PolarHBondContact O-N 2.9Å; R297-M313 HydrophobicContact CG-SD 4.47Å
298	L	97.2	Very high	97	Very high	67 Å²	67	57.8 Å²	57.8	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176.3	-175.9	61.9	0	0	0	111.9	K294 Y295 E301 K302 I330	K294-L298 PolarHBondContact O-N 3.28Å; Y295-L298 PolarHBondContact O-N 2.87Å; L298-E301 PolarHBondContact O-N 2.94Å; L298-K302 PolarHBondContact O-N 3.35Å; L298-K302 VanDerWaalsContact O-N 3.08Å; L298-I330 HydrophobicContact CB-CD1 4.42Å; L298-I330 HydrophobicContact CD2-CD1 4.23Å; L298-I330 HydrophobicContact CD2-CG2 4.39Å; L298-I330 HydrophobicContact CG-CD1 3.93Å
299	L	97.9	Very high	97	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-48.9	171.4	176.2	70.6	0	0	0	111.4	V206 L210 Y295 R297 E301 K302 V303 L325 Q328 I330 F339	V206-L299 HydrophobicContact CB-CD2 4.37Å; V206-L299 HydrophobicContact CG1-CD2 3.51Å; V206-L299 HydrophobicContact CG2-CD2 3.88Å; L210-L299 HydrophobicContact CD1-CD2 3.75Å; Y295-L299 WeakPolarHBondContact O-CB 3.39Å; Y295-L299 PolarHBondContact O-N 3.38Å; R297-L299 VanDerWaalsContact C-N 3.34Å; R297-L299 PolarHBondContact O-N 3.39Å; L299-E301 PolarHBondContact O-N 3.23Å; L299-K302 PolarHBondContact O-N 3.04Å; L299-K302 VanDerWaalsContact O-N 3.14Å; L299-V303 HydrophobicContact CD1-CG1 4.41Å; L299-V303 PolarHBondContact O-N 2.99Å; L299-L325 HydrophobicContact CD2-CD2 4.44Å; L299-Q328 HydrophobicContact CD1-CB 3.73Å; L299-Q328 HydrophobicContact CD1-CG 3.69Å; L299-I330 HydrophobicContact CB-CD1 4.17Å; L299-I330 HydrophobicContact CB-CG1 4.41Å; L299-I330 HydrophobicContact CD1-CD1 4.49Å; L299-I330 HydrophobicContact CD1-CG1 4.3Å; L299-F339 HydrophobicContact CB-CZ 4.09Å; L299-F339 HydrophobicContact CD2-CE1 4.49Å; L299-F339 HydrophobicContact CD2-CZ 4.02Å
300	A	98.2	Very high	97	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-35.5	178.5	0	0	0	0	0	112.1	T296 R297 G304 C305 N306 M313	T296-A300 WeakPolarHBondContact O-CB 3.47Å; T296-A300 PolarHBondContact O-N 3.22Å; R297-A300 PolarHBondContact O-N 2.93Å; A300-G304 PolarHBondContact O-N 2.88Å; A300-G304 VanDerWaalsContact O-N 3.1Å; A300-C305 HydrophobicContact CB-CB 4.28Å; A300-C305 CarbonylContact O-C 3.57Å; A300-C305 WeakPolarHBondContact O-CA 3.48Å; A300-C305 PolarHBondContact O-N 3.26Å; A300-N306 PolarHBondContact O-N 2.93Å; A300-N306 VanDerWaalsContact O-N 3.11Å; A300-M313 HydrophobicContact CB-CG 3.86Å; A300-M313 HydrophobicContact CB-SD 3.52Å; A300-M313 VanDerWaalsContact CB-SD 3.52Å
301	E	97.6	Very high	97.1	Very high	123 Å²	123	59.4 Å²	59.4	58%	0.575	32%	0.318	S	S	*	.	H	α-helix	trans	-63.8	-52.1	171.3	-171.4	175	-179.9	0	0	111.8	R297 L298 L299 V303 G304 N306	R297-E301 PolarHBondContact O-N 2.9Å; L298-E301 PolarHBondContact O-N 2.94Å; L299-E301 PolarHBondContact O-N 3.23Å; E301-V303 VanDerWaalsContact C-N 3.27Å; E301-V303 PolarHBondContact O-N 2.76Å; E301-G304 PolarHBondContact O-N 3.46Å; E301-G304 VanDerWaalsContact O-N 3.07Å; E301-N306 HydrophobicContact CB-CB 4.26Å
302	K	97.5	Very high	97.1	Very high	98 Å²	98	59.7 Å²	59.7	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-58.9	-33.7	-179.5	-74.5	-162.7	174.6	-169.3	0	113.9	L298 L299 D329 I330	L298-K302 PolarHBondContact O-N 3.35Å; L298-K302 VanDerWaalsContact O-N 3.08Å; L299-K302 PolarHBondContact O-N 3.04Å; L299-K302 VanDerWaalsContact O-N 3.14Å; K302-D329 PolarHBondContact NZ-O 2.89Å; K302-D329 IonicContact NZ-OD2 3.8Å; K302-I330 HydrophobicContact CD-CD1 4Å
303	V	98	Very high	97.1	Very high	10 Å²	10	59 Å²	59	6%	0.061	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	4.2	177.6	-50.9	0	0	0	0	114.3	L299 E301 C305 L317 K320 E324 L325 Q328	L299-V303 HydrophobicContact CD1-CG1 4.41Å; L299-V303 PolarHBondContact O-N 2.99Å; E301-V303 VanDerWaalsContact C-N 3.27Å; E301-V303 PolarHBondContact O-N 2.76Å; V303-C305 HydrophobicContact CG2-CB 4.14Å; V303-L317 HydrophobicContact CG2-CD2 3.63Å; V303-K320 HydrophobicContact CG2-CG 4.27Å; V303-K320 WeakPolarHBondContact O-CE 3.46Å; V303-K320 PolarHBondContact O-NZ 3.11Å; V303-E324 HydrophobicContact CG1-CG 4.38Å; V303-L325 HydrophobicContact CG1-CD2 4.36Å; V303-L325 HydrophobicContact CG2-CD2 4.29Å; V303-Q328 HydrophobicContact CG1-CG 3.84Å
304	G	97.8	Very high	97.2	Very high	66 Å²	66	56.2 Å²	56.2	68%	0.68	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	27.1	177.4	0	0	0	0	0	115.2	A300 E301	A300-G304 PolarHBondContact O-N 2.88Å; A300-G304 VanDerWaalsContact O-N 3.1Å; E301-G304 PolarHBondContact O-N 3.46Å; E301-G304 VanDerWaalsContact O-N 3.07Å
305	C	98	Very high	97.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.014	29%	0.294	C	S	.	.			trans	-105.4	11.2	173.1	-71.2	0	0	0	0	113.7	A300 V303 V307 M313 C316 L317 K320	A300-C305 HydrophobicContact CB-CB 4.28Å; A300-C305 CarbonylContact O-C 3.57Å; A300-C305 WeakPolarHBondContact O-CA 3.48Å; A300-C305 PolarHBondContact O-N 3.26Å; V303-C305 HydrophobicContact CG2-CB 4.14Å; C305-V307 PolarHBondContact O-N 3.43Å; C305-M313 WeakPolarHBondContact O-CG 3.22Å; C305-C316 WeakPolarHBondContact CA-SG 3.46Å; C305-C316 HydrophobicContact CB-CB 3.59Å; C305-C316 WeakPolarHBondContact CB-SG 3.44Å; C305-C316 WeakPolarHBondContact SG-CB 3.33Å; C305-C316 CovalentContact SG-SG 2.04Å; C305-C316 PolarHBondContact SG-SG 3.29Å; C305-L317 HydrophobicContact CB-CD2 4.11Å; C305-L317 HydrophobicContact CB-CG 4.15Å; C305-K320 VanDerWaalsContact SG-CE 3.52Å
306	N	92.6	Very high	97.2	Very high	85 Å²	85	55.7 Å²	55.7	46%	0.455	31%	0.306	S	S	.	.			trans	-70.3	88.7	-179.6	-174.8	11	0	0	0	111.9	A300 E301	A300-N306 PolarHBondContact O-N 2.93Å; A300-N306 VanDerWaalsContact O-N 3.11Å; E301-N306 HydrophobicContact CB-CB 4.26Å
307	V	94.2	Very high	97.2	Very high	66 Å²	66	55.6 Å²	55.6	40%	0.4	31%	0.306	S	S	.	.			trans	-118.5	158.6	172.3	-64.4	0	0	0	0	110	C305 D312 M313	C305-V307 PolarHBondContact O-N 3.43Å; V307-D312 HydrophobicContact CG2-CB 3.8Å; V307-M313 HydrophobicContact CG2-CB 3.76Å
308	L	92.6	Very high	97.3	Very high	164 Å²	164	51.8 Å²	51.8	86%	0.859	29%	0.291	S	S	*	.	S	Bend	trans	-76.3	-30.4	-172.4	-66.7	177.1	0	0	0	113.9
309	D	97.5	Very high	97.3	Very high	79 Å²	79	55.9 Å²	55.9	42%	0.422	31%	0.306	S	S	.	.	S	Bend	trans	-82.1	129.4	173.9	-173.5	-80.6	0	0	0	110.2	S311 D312 M313	D309-S311 VanDerWaalsContact C-N 3.35Å; D309-S311 VanDerWaalsContact OD1-CA 3.31Å; D309-S311 WeakPolarHBondContact OD1-CA 3.31Å; D309-S311 WeakPolarHBondContact OD1-CB 3.28Å; D309-S311 PolarHBondContact OD1-N 3.13Å; D309-S311 PolarHBondContact OD1-OG 2.77Å; D309-D312 HydrophobicContact CB-CB 4.2Å; D309-D312 PolarHBondContact OD1-N 3.16Å; D309-M313 WeakPolarHBondContact O-CB 3.39Å; D309-M313 PolarHBondContact O-N 3.18Å
310	T	97.5	Very high	97.3	Very high	23 Å²	23	58 Å²	58	14%	0.141	32%	0.315	C	S	.	.	H	α-helix	trans	-74.4	-25.3	-175.4	43	0	0	0	0	112.9	T212 D214 A216 M313 V314	T212-T310 HydrophobicContact CG2-CG2 4.13Å; D214-T310 VanDerWaalsContact OD2-CB 3.28Å; D214-T310 WeakPolarHBondContact OD2-CB 3.47Å; D214-T310 VanDerWaalsContact OD2-CG2 3.3Å; D214-T310 WeakPolarHBondContact OD2-CG2 3.14Å; D214-T310 PolarHBondContact OD2-OG1 3.06Å; A216-T310 VanDerWaalsContact CB-C 3.48Å; A216-T310 WeakPolarHBondContact CB-O 3.43Å; T310-M313 HydrophobicContact CG2-CE 4.16Å; T310-V314 VanDerWaalsContact O-CG2 3.26Å; T310-V314 WeakPolarHBondContact O-CG2 3.28Å; T310-V314 PolarHBondContact O-N 3.45Å
311	S	97.8	Very high	97.3	Very high	65 Å²	65	60.8 Å²	60.8	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-72.3	-49.9	174.3	-46.1	0	0	0	0	110.3	D309 M313 V314 D315	D309-S311 VanDerWaalsContact C-N 3.35Å; D309-S311 VanDerWaalsContact OD1-CA 3.31Å; D309-S311 WeakPolarHBondContact OD1-CA 3.31Å; D309-S311 WeakPolarHBondContact OD1-CB 3.28Å; D309-S311 PolarHBondContact OD1-N 3.13Å; D309-S311 PolarHBondContact OD1-OG 2.77Å; S311-M313 PolarHBondContact O-N 2.73Å; S311-V314 PolarHBondContact O-N 2.97Å; S311-D315 WeakPolarHBondContact O-CB 3.27Å; S311-D315 PolarHBondContact O-N 3.33Å
312	D	98.1	Very high	97.3	Very high	104 Å²	104	56 Å²	56	56%	0.556	32%	0.315	S	S	*	.	H	α-helix	trans	-58.5	-37.2	174.8	-78.8	-26.3	0	0	0	111.6	V307 D309 C316	V307-D312 HydrophobicContact CG2-CB 3.8Å; D309-D312 HydrophobicContact CB-CB 4.2Å; D309-D312 PolarHBondContact OD1-N 3.16Å; D312-C316 WeakPolarHBondContact O-CB 3.15Å; D312-C316 PolarHBondContact O-N 2.77Å
313	M	98.5	Very high	97.2	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-49.6	175.9	-179.6	174.9	67.4	0	0	111.9	T212 T296 R297 A300 C305 V307 D309 T310 S311 D315 C316 L317	T212-M313 HydrophobicContact CG2-CE 3.59Å; T296-M313 HydrophobicContact CG2-CE 3.87Å; R297-M313 HydrophobicContact CG-SD 4.47Å; A300-M313 HydrophobicContact CB-CG 3.86Å; A300-M313 HydrophobicContact CB-SD 3.52Å; A300-M313 VanDerWaalsContact CB-SD 3.52Å; C305-M313 WeakPolarHBondContact O-CG 3.22Å; V307-M313 HydrophobicContact CG2-CB 3.76Å; D309-M313 WeakPolarHBondContact O-CB 3.39Å; D309-M313 PolarHBondContact O-N 3.18Å; T310-M313 HydrophobicContact CG2-CE 4.16Å; S311-M313 PolarHBondContact O-N 2.73Å; M313-D315 VanDerWaalsContact C-N 3.32Å; M313-D315 PolarHBondContact O-N 2.92Å; M313-C316 WeakPolarHBondContact O-CB 3.3Å; M313-C316 PolarHBondContact O-N 3.28Å; M313-L317 HydrophobicContact CG-CD1 4.05Å; M313-L317 VanDerWaalsContact O-CG 3.29Å; M313-L317 WeakPolarHBondContact O-CG 3.43Å; M313-L317 PolarHBondContact O-N 3.09Å
314	V	98.4	Very high	97.1	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-39.1	178.1	173.5	0	0	0	0	110.7	F89 T212 A216 A217 T310 S311 C316 L317 R318	F89-V314 HydrophobicContact CB-CG1 4.42Å; F89-V314 HydrophobicContact CD2-CG1 4.01Å; T212-V314 HydrophobicContact CG2-CG2 3.74Å; A216-V314 HydrophobicContact CB-CG2 4.17Å; A217-V314 HydrophobicContact CB-CG1 4.38Å; A217-V314 HydrophobicContact CB-CG2 3.7Å; T310-V314 VanDerWaalsContact O-CG2 3.26Å; T310-V314 WeakPolarHBondContact O-CG2 3.28Å; T310-V314 PolarHBondContact O-N 3.45Å; S311-V314 PolarHBondContact O-N 2.97Å; V314-C316 VanDerWaalsContact C-N 3.31Å; V314-C316 PolarHBondContact O-N 2.77Å; V314-L317 CarbonylContact O-C 3.58Å; V314-L317 PolarHBondContact O-N 3.34Å; V314-L317 VanDerWaalsContact O-N 3.12Å; V314-R318 WeakPolarHBondContact O-CG 3.34Å; V314-R318 PolarHBondContact O-N 2.88Å
315	D	98.2	Very high	97.1	Very high	56 Å²	56	58.9 Å²	58.9	30%	0.299	30%	0.304	S	S	.	.	H	α-helix	trans	-67.2	-28.3	175	-94.8	19.6	0	0	0	113.4	S311 M313 R318 K319	S311-D315 WeakPolarHBondContact O-CB 3.27Å; S311-D315 PolarHBondContact O-N 3.33Å; M313-D315 VanDerWaalsContact C-N 3.32Å; M313-D315 PolarHBondContact O-N 2.92Å; D315-R318 IonicContact OD1-CZ 2.72Å; D315-R318 IonicContact OD1-NH1 2.6Å; D315-R318 PolarHBondContact OD1-NH1 2.86Å; D315-K319 WeakPolarHBondContact O-CD 3.2Å; D315-K319 VanDerWaalsContact O-CG 3.28Å; D315-K319 WeakPolarHBondContact O-CG 3.3Å; D315-K319 PolarHBondContact O-NZ 3.2Å
316	C	98.4	Very high	96.9	Very high	39 Å²	39	59.7 Å²	59.7	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-70.2	-43.7	167.8	-177.6	0	0	0	0	111.1	C305 D312 M313 V314 R318 K319	C305-C316 WeakPolarHBondContact CA-SG 3.46Å; C305-C316 HydrophobicContact CB-CB 3.59Å; C305-C316 WeakPolarHBondContact CB-SG 3.44Å; C305-C316 WeakPolarHBondContact SG-CB 3.33Å; C305-C316 CovalentContact SG-SG 2.04Å; C305-C316 PolarHBondContact SG-SG 3.29Å; D312-C316 WeakPolarHBondContact O-CB 3.15Å; D312-C316 PolarHBondContact O-N 2.77Å; M313-C316 WeakPolarHBondContact O-CB 3.3Å; M313-C316 PolarHBondContact O-N 3.28Å; V314-C316 VanDerWaalsContact C-N 3.31Å; V314-C316 PolarHBondContact O-N 2.77Å; C316-R318 PolarHBondContact O-N 3.08Å; C316-K319 WeakPolarHBondContact O-CB 3.42Å; C316-K319 PolarHBondContact O-N 2.9Å; C316-K319 VanDerWaalsContact O-N 3.08Å
317	L	98.5	Very high	96.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-34.2	178.9	-67.4	165.1	0	0	0	112.9	R88 F89 L210 V303 C305 M313 V314 K319 K320 L325	R88-L317 PolarHBondContact NH1-O 2.96Å; F89-L317 HydrophobicContact CE2-CB 3.85Å; F89-L317 HydrophobicContact CZ-CB 4.36Å; L210-L317 HydrophobicContact CD1-CD1 3.94Å; V303-L317 HydrophobicContact CG2-CD2 3.63Å; C305-L317 HydrophobicContact CB-CD2 4.11Å; C305-L317 HydrophobicContact CB-CG 4.15Å; M313-L317 HydrophobicContact CG-CD1 4.05Å; M313-L317 VanDerWaalsContact O-CG 3.29Å; M313-L317 WeakPolarHBondContact O-CG 3.43Å; M313-L317 PolarHBondContact O-N 3.09Å; V314-L317 CarbonylContact O-C 3.58Å; V314-L317 PolarHBondContact O-N 3.34Å; V314-L317 VanDerWaalsContact O-N 3.12Å; L317-K319 PolarHBondContact O-N 3.33Å; L317-K320 PolarHBondContact O-N 3.01Å; L317-L325 HydrophobicContact CD2-CD2 3.7Å
318	R	98.4	Very high	96.9	Very high	38 Å²	38	58.9 Å²	58.9	14%	0.143	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-31.5	170.6	-75.7	-179.9	178.9	121.3	4.5	112.7	R88 F89 M90 V314 D315 C316	R88-R318 PolarHBondContact NH1-O 3.26Å; R88-R318 VanDerWaalsContact NH1-O 3.09Å; R88-R318 PolarHBondContact O-NE 2.81Å; F89-R318 HydrophobicContact CD2-CG 3.98Å; F89-R318 HydrophobicContact CE2-CG 4.34Å; M90-R318 PolarHBondContact SD-NH2 3.4Å; V314-R318 WeakPolarHBondContact O-CG 3.34Å; V314-R318 PolarHBondContact O-N 2.88Å; D315-R318 IonicContact OD1-CZ 2.72Å; D315-R318 IonicContact OD1-NH1 2.6Å; D315-R318 PolarHBondContact OD1-NH1 2.86Å; C316-R318 PolarHBondContact O-N 3.08Å
319	K	97.8	Very high	96.8	Very high	153 Å²	153	54.5 Å²	54.5	67%	0.665	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-8	-178.1	-63.9	169.9	-174.8	89.5	0	113.7	D315 C316 L317	D315-K319 WeakPolarHBondContact O-CD 3.2Å; D315-K319 VanDerWaalsContact O-CG 3.28Å; D315-K319 WeakPolarHBondContact O-CG 3.3Å; D315-K319 PolarHBondContact O-NZ 3.2Å; C316-K319 WeakPolarHBondContact O-CB 3.42Å; C316-K319 PolarHBondContact O-N 2.9Å; C316-K319 VanDerWaalsContact O-N 3.08Å; L317-K319 PolarHBondContact O-N 3.33Å
320	K	98.3	Very high	96.6	Very high	45 Å²	45	51.5 Å²	51.5	20%	0.196	26%	0.259	C	S	.	.	S	Bend	trans	-77.2	159.7	174	-60.6	-50.2	-157.6	146.4	0	112.3	R88 V303 C305 L317 E324 L325	R88-K320 PolarHBondContact NH1-O 3.04Å; R88-K320 PolarHBondContact NH2-O 2.97Å; V303-K320 HydrophobicContact CG2-CG 4.27Å; V303-K320 WeakPolarHBondContact O-CE 3.46Å; V303-K320 PolarHBondContact O-NZ 3.11Å; C305-K320 VanDerWaalsContact SG-CE 3.52Å; L317-K320 PolarHBondContact O-N 3.01Å; K320-E324 WeakPolarHBondContact CD-OE1 3.28Å; K320-E324 WeakPolarHBondContact CE-OE1 3.26Å; K320-E324 IonicContact NZ-OE1 3.84Å; K320-E324 PolarHBondContact NZ-OE1 3.08Å; K320-L325 HydrophobicContact CB-CD1 4.29Å; K320-L325 HydrophobicContact CB-CD2 3.94Å; K320-L325 HydrophobicContact CB-CG 3.92Å; K320-L325 HydrophobicContact CG-CD2 4.14Å
321	S	98.1	Very high	96.2	Very high	58 Å²	58	55.1 Å²	55.1	41%	0.406	28%	0.275	S	S	.	.			trans	-73.9	147	166.1	70.5	0	0	0	0	110.5	R323 E324 L325	S321-R323 PolarHBondContact O-N 2.92Å; S321-E324 PolarHBondContact N-OE2 3.1Å; S321-E324 PolarHBondContact O-N 3.22Å; S321-E324 WeakPolarHBondContact OG-CB 3.29Å; S321-E324 PolarHBondContact OG-N 2.88Å; S321-E324 VanDerWaalsContact OG-N 3.11Å; S321-L325 PolarHBondContact O-N 2.82Å
322	S	96.6	Very high	95.8	Very high	22 Å²	22	53.9 Å²	53.9	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-54.8	-42.2	173.1	25.8	0	0	0	0	112	E144 E324 L325 V326	E144-S322 WeakPolarHBondContact CG-OG 3.43Å; E144-S322 WeakPolarHBondContact OE1-CB 3.14Å; E144-S322 PolarHBondContact OE1-OG 3.42Å; S322-E324 PolarHBondContact O-N 3.45Å; S322-L325 PolarHBondContact O-N 2.9Å; S322-V326 WeakPolarHBondContact O-CB 3.34Å; S322-V326 WeakPolarHBondContact O-CG2 3.47Å; S322-V326 PolarHBondContact O-N 3.37Å
323	R	95.1	Very high	95.5	Very high	167 Å²	167	50.8 Å²	50.8	63%	0.63	25%	0.254	S	S	*	.	H	α-helix	trans	-55.2	-50.7	174.3	179.8	171.5	-173	134.8	12.9	112.4	S321 L325 V326 E327	S321-R323 PolarHBondContact O-N 2.92Å; R323-L325 PolarHBondContact O-N 3.33Å; R323-V326 PolarHBondContact O-N 3.02Å; R323-E327 HydrophobicContact CG-CG 4Å; R323-E327 WeakPolarHBondContact CG-OE2 3.32Å; R323-E327 IonicContact CZ-OE1 2.72Å; R323-E327 IonicContact CZ-OE2 3Å; R323-E327 IonicContact NE-OE1 3.72Å; R323-E327 PolarHBondContact NE-OE1 2.83Å; R323-E327 IonicContact NE-OE2 3.67Å; R323-E327 PolarHBondContact NE-OE2 3.04Å; R323-E327 IonicContact NH2-OE1 2.73Å; R323-E327 PolarHBondContact NH2-OE1 3.23Å; R323-E327 IonicContact NH2-OE2 3.91Å; R323-E327 WeakPolarHBondContact O-CB 3.39Å; R323-E327 WeakPolarHBondContact O-CG 3.37Å; R323-E327 PolarHBondContact O-N 2.62Å
324	E	96.7	Very high	95	Very high	66 Å²	66	56.1 Å²	56.1	31%	0.308	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-26.6	179.1	-179.2	-174.9	179.3	0	0	113.4	V303 K320 S321 S322 Q328	V303-E324 HydrophobicContact CG1-CG 4.38Å; K320-E324 WeakPolarHBondContact CD-OE1 3.28Å; K320-E324 WeakPolarHBondContact CE-OE1 3.26Å; K320-E324 IonicContact NZ-OE1 3.84Å; K320-E324 PolarHBondContact NZ-OE1 3.08Å; S321-E324 PolarHBondContact N-OE2 3.1Å; S321-E324 PolarHBondContact O-N 3.22Å; S321-E324 WeakPolarHBondContact OG-CB 3.29Å; S321-E324 PolarHBondContact OG-N 2.88Å; S321-E324 VanDerWaalsContact OG-N 3.11Å; S322-E324 PolarHBondContact O-N 3.45Å; E324-Q328 VanDerWaalsContact O-CG 3.26Å; E324-Q328 WeakPolarHBondContact O-CG 3.5Å; E324-Q328 PolarHBondContact O-NE2 3.18Å
325	L	97.1	Very high	94.7	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-81.9	-41.5	173.9	-64.6	173.6	0	0	0	112.6	F89 V206 L207 L299 V303 L317 K320 S321 S322 R323	F89-L325 HydrophobicContact CZ-CD1 4.12Å; V206-L325 HydrophobicContact CG1-CB 4.22Å; L207-L325 HydrophobicContact CD2-CD1 4.23Å; L299-L325 HydrophobicContact CD2-CD2 4.44Å; V303-L325 HydrophobicContact CG1-CD2 4.36Å; V303-L325 HydrophobicContact CG2-CD2 4.29Å; L317-L325 HydrophobicContact CD2-CD2 3.7Å; K320-L325 HydrophobicContact CB-CD1 4.29Å; K320-L325 HydrophobicContact CB-CD2 3.94Å; K320-L325 HydrophobicContact CB-CG 3.92Å; K320-L325 HydrophobicContact CG-CD2 4.14Å; S321-L325 PolarHBondContact O-N 2.82Å; S322-L325 PolarHBondContact O-N 2.9Å; R323-L325 PolarHBondContact O-N 3.33Å
326	V	94.7	Very high	94.5	Very high	19 Å²	19	56.4 Å²	56.4	12%	0.115	27%	0.273	C	S	.	.	H	α-helix	trans	-82.9	-27.4	-172.1	169	0	0	0	0	113.1	P112 N114 L207 S322 R323 Q328	P112-V326 HydrophobicContact CB-CG2 4.28Å; N114-V326 HydrophobicContact CB-CG1 4Å; L207-V326 HydrophobicContact CD1-CG2 4.31Å; L207-V326 HydrophobicContact CG-CG2 4.5Å; S322-V326 WeakPolarHBondContact O-CB 3.34Å; S322-V326 WeakPolarHBondContact O-CG2 3.47Å; S322-V326 PolarHBondContact O-N 3.37Å; R323-V326 PolarHBondContact O-N 3.02Å; V326-Q328 PolarHBondContact O-N 3.38Å
327	E	93.3	Very high	94.2	Very high	83 Å²	83	55 Å²	55	39%	0.388	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.7	175.4	-69.7	-174	130.7	0	0	113.4	N117 R323 D329	N117-E327 PolarHBondContact ND2-O 2.94Å; N117-E327 VanDerWaalsContact ND2-O 3.11Å; R323-E327 HydrophobicContact CG-CG 4Å; R323-E327 WeakPolarHBondContact CG-OE2 3.32Å; R323-E327 IonicContact CZ-OE1 2.72Å; R323-E327 IonicContact CZ-OE2 3Å; R323-E327 IonicContact NE-OE1 3.72Å; R323-E327 PolarHBondContact NE-OE1 2.83Å; R323-E327 IonicContact NE-OE2 3.67Å; R323-E327 PolarHBondContact NE-OE2 3.04Å; R323-E327 IonicContact NH2-OE1 2.73Å; R323-E327 PolarHBondContact NH2-OE1 3.23Å; R323-E327 IonicContact NH2-OE2 3.91Å; R323-E327 WeakPolarHBondContact O-CB 3.39Å; R323-E327 WeakPolarHBondContact O-CG 3.37Å; R323-E327 PolarHBondContact O-N 2.62Å; E327-D329 PolarHBondContact O-N 3.12Å
328	Q	94.1	Very high	94	Very high	51 Å²	51	55.3 Å²	55.3	24%	0.238	27%	0.266	C	S	.	.	S	Bend	trans	-73.3	121	-178.7	-58	-56.9	-31.8	0	0	112.3	L299 V303 E324 V326 I330	L299-Q328 HydrophobicContact CD1-CB 3.73Å; L299-Q328 HydrophobicContact CD1-CG 3.69Å; V303-Q328 HydrophobicContact CG1-CG 3.84Å; E324-Q328 VanDerWaalsContact O-CG 3.26Å; E324-Q328 WeakPolarHBondContact O-CG 3.5Å; E324-Q328 PolarHBondContact O-NE2 3.18Å; V326-Q328 PolarHBondContact O-N 3.38Å; Q328-I330 HydrophobicContact CB-CD1 4.44Å; Q328-I330 HydrophobicContact CB-CG1 4.14Å; Q328-I330 PolarHBondContact O-N 3Å
329	D	90.7	Very high	94	Very high	72 Å²	72	53.6 Å²	53.6	39%	0.385	26%	0.259	S	S	.	.			trans	-67.1	98.7	170.8	172.5	51.6	0	0	0	111	K302 E327 Q331	K302-D329 PolarHBondContact NZ-O 2.89Å; K302-D329 IonicContact NZ-OD2 3.8Å; E327-D329 PolarHBondContact O-N 3.12Å; D329-Q331 WeakPolarHBondContact OD1-CG 3.43Å; D329-Q331 PolarHBondContact OD1-NE2 2.83Å
330	I	91.7	Very high	93.9	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.082	23%	0.228	C	C	.	.			trans	-118.4	85.8	178.6	-56.7	-66	0	0	0	108.5	Y295 L298 L299 K302 Q328 A338 F339	Y295-I330 HydrophobicContact CD1-CG2 4.07Å; L298-I330 HydrophobicContact CB-CD1 4.42Å; L298-I330 HydrophobicContact CD2-CD1 4.23Å; L298-I330 HydrophobicContact CD2-CG2 4.39Å; L298-I330 HydrophobicContact CG-CD1 3.93Å; L299-I330 HydrophobicContact CB-CD1 4.17Å; L299-I330 HydrophobicContact CB-CG1 4.41Å; L299-I330 HydrophobicContact CD1-CD1 4.49Å; L299-I330 HydrophobicContact CD1-CG1 4.3Å; K302-I330 HydrophobicContact CD-CD1 4Å; Q328-I330 HydrophobicContact CB-CD1 4.44Å; Q328-I330 HydrophobicContact CB-CG1 4.14Å; Q328-I330 PolarHBondContact O-N 3Å; I330-A338 HydrophobicContact CG2-CB 4.03Å; I330-F339 HydrophobicContact CB-CE2 3.97Å; I330-F339 HydrophobicContact CG1-CE2 4.15Å; I330-F339 HydrophobicContact CG2-CE2 3.77Å; I330-F339 HydrophobicContact CG2-CZ 4.2Å
331	Q	89.2	Confident	93.9	Very high	99 Å²	99	44.1 Å²	44.1	46%	0.463	22%	0.219	S	C	.	.			trans	-73.6	126.3	-178.4	-65.6	-59.5	-37.4	0	0	111.9	D329	D329-Q331 WeakPolarHBondContact OD1-CG 3.43Å; D329-Q331 PolarHBondContact OD1-NE2 2.83Å
332	P	90.6	Very high	94	Very high	39 Å²	39	41.5 Å²	41.5	25%	0.253	20%	0.2	S	C	.	.			trans	-76.2	177.8	172.6	32.1	-34	0	0	0	112.1	Y295 H336 A338	Y295-P332 HydrophobicContact CE1-CB 4.45Å; P332-H336 WeakPolarHBondContact CB-O 3.44Å; P332-H336 WeakPolarHBondContact CG-O 3.37Å; P332-A338 HydrophobicContact CB-CB 4.04Å; P332-A338 HydrophobicContact CG-CB 4.47Å
333	A	90.4	Very high	94.1	Very high	40 Å²	40	43.6 Å²	43.6	33%	0.331	21%	0.209	S	C	.	.	S	Bend	trans	-61.1	145.3	155.3	0	0	0	0	0	109.4	Y295 H336	Y295-A333 PolarHBondContact OH-N 3.33Å; A333-H336 HydrophobicContact CB-CB 4.36Å; A333-H336 WeakPolarHBondContact O-CB 3.44Å; A333-H336 PolarHBondContact O-N 3.12Å; A333-H336 VanDerWaalsContact O-N 3.1Å
334	R	89.5	Confident	94.2	Very high	115 Å²	115	37.1 Å²	37.1	43%	0.434	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	141.9	-179.5	-170.1	172.2	173.4	-175.2	-15.6	110.6	H336 D400	R334-H336 PolarHBondContact O-N 3.27Å; R334-H336 PolarHBondContact O-ND1 3.35Å; R334-D400 IonicContact CZ-OD1 2.69Å; R334-D400 IonicContact CZ-OD2 2.78Å; R334-D400 IonicContact NH1-OD1 3.84Å; R334-D400 PolarHBondContact NH1-OD1 2.94Å; R334-D400 IonicContact NH1-OD2 3.68Å; R334-D400 PolarHBondContact NH1-OD2 2.88Å; R334-D400 IonicContact NH2-OD2 3.71Å; R334-D400 PolarHBondContact NH2-OD2 3.2Å
335	Y	92	Very high	94.2	Very high	8 Å²	8	36.7 Å²	36.7	3%	0.031	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	13.5	-174	-39.8	-61.4	0	0	0	115.8	I122 S285 W286 F378 F401 L405 F443	I122-Y335 HydrophobicContact CD1-CE1 3.93Å; S285-Y335 CarbonylContact C-O 3.52Å; S285-Y335 WeakPolarHBondContact CB-O 3.31Å; S285-Y335 PolarHBondContact OG-O 3.13Å; W286-Y335 PolarHBondContact N-O 3.21Å; Y335-F378 WeakPolarHBondContact OH-CE2 3.32Å; Y335-F401 HydrophobicContact CE2-CD2 4.32Å; Y335-L405 HydrophobicContact CD2-CD1 4.26Å; Y335-L405 HydrophobicContact CD2-CD2 4.2Å; Y335-L405 HydrophobicContact CD2-CG 3.87Å; Y335-L405 HydrophobicContact CG-CD2 4.44Å; Y335-F443 AromaticContact CD1-CE2 3.56Å; Y335-F443 HydrophobicContact CD1-CE2 3.56Å; Y335-F443 AromaticContact CD1-CZ 3.53Å; Y335-F443 HydrophobicContact CD1-CZ 3.53Å; Y335-F443 HydrophobicContact CE1-CD2 4.4Å; Y335-F443 AromaticContact CE1-CE2 3.26Å; Y335-F443 HydrophobicContact CE1-CE2 3.26Å; Y335-F443 AromaticContact CE1-CZ 3.46Å; Y335-F443 HydrophobicContact CE1-CZ 3.46Å; Y335-F443 VanDerWaalsContact CE1-CZ 3.46Å; Y335-F443 HydrophobicContact CG-CE2 4.31Å; Y335-F443 AromaticContact CZ-CE2 3.79Å
336	H	92.9	Very high	94.2	Very high	54 Å²	54	38.9 Å²	38.9	25%	0.25	21%	0.212	C	C	.	.	S	Bend	trans	-125.3	167.9	174.4	-58.2	81.8	0	0	0	110.2	S285 P332 A333 R334	S285-H336 PolarHBondContact O-CD2 3.3Å; P332-H336 WeakPolarHBondContact CB-O 3.44Å; P332-H336 WeakPolarHBondContact CG-O 3.37Å; A333-H336 HydrophobicContact CB-CB 4.36Å; A333-H336 WeakPolarHBondContact O-CB 3.44Å; A333-H336 PolarHBondContact O-N 3.12Å; A333-H336 VanDerWaalsContact O-N 3.1Å; R334-H336 PolarHBondContact O-N 3.27Å; R334-H336 PolarHBondContact O-ND1 3.35Å
337	V	93.1	Very high	94.4	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.048	21%	0.207	C	C	.	.			trans	-110.1	144.6	-179.1	-69.1	0	0	0	0	112.6	M123 Y176 W286 N289	M123-V337 HydrophobicContact CE-CG1 3.77Å; Y176-V337 HydrophobicContact CD2-CG1 4.12Å; Y176-V337 HydrophobicContact CD2-CG2 4.4Å; W286-V337 HydrophobicContact CB-CG1 4.08Å; W286-V337 WeakPolarHBondContact O-CG1 3.46Å; W286-V337 WeakPolarHBondContact O-CG2 3.44Å; N289-V337 HydrophobicContact CB-CG2 4.23Å
338	A	94.2	Very high	94.6	Very high	7 Å²	7	34.2 Å²	34.2	6%	0.058	19%	0.189	C	C	.	.	S	Bend	trans	-86.1	-38	179.5	0	0	0	0	0	112.7	N289 Y295 I330 P332	N289-A338 PolarHBondContact ND2-O 3.49Å; Y295-A338 WeakPolarHBondContact CB-O 3.23Å; Y295-A338 HydrophobicContact CD1-CB 4.04Å; Y295-A338 HydrophobicContact CD2-CB 4.27Å; Y295-A338 WeakPolarHBondContact CD2-O 3.4Å; Y295-A338 HydrophobicContact CE1-CB 4.44Å; Y295-A338 HydrophobicContact CG-CB 3.96Å; I330-A338 HydrophobicContact CG2-CB 4.03Å; P332-A338 HydrophobicContact CB-CB 4.04Å; P332-A338 HydrophobicContact CG-CB 4.47Å
339	F	97.1	Very high	94.8	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	20%	0.195	C	C	.	.	S	Bend	trans	-134.8	106.9	174.5	-59.4	-74.1	0	0	0	108.2	M177 V206 F209 L299 I330	M177-F339 HydrophobicContact CE-CD2 4.3Å; M177-F339 HydrophobicContact SD-CB 4Å; M177-F339 HydrophobicContact SD-CD2 4.13Å; V206-F339 HydrophobicContact CG2-CD2 3.82Å; V206-F339 HydrophobicContact CG2-CE1 4.49Å; V206-F339 HydrophobicContact CG2-CE2 3.7Å; V206-F339 HydrophobicContact CG2-CG 4.28Å; V206-F339 HydrophobicContact CG2-CZ 4.07Å; F209-F339 HydrophobicContact CB-CB 4.13Å; L299-F339 HydrophobicContact CB-CZ 4.09Å; L299-F339 HydrophobicContact CD2-CE1 4.49Å; L299-F339 HydrophobicContact CD2-CZ 4.02Å; I330-F339 HydrophobicContact CB-CE2 3.97Å; I330-F339 HydrophobicContact CG1-CE2 4.15Å; I330-F339 HydrophobicContact CG2-CE2 3.77Å; I330-F339 HydrophobicContact CG2-CZ 4.2Å
340	G	97.2	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-161	-176.3	178.8	0	0	0	0	0	108.8	F209	F209-G340 VanDerWaalsContact CD1-C 3.41Å
341	P	98.6	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.			trans	-49.7	146.2	179.3	-31	38.5	0	0	0	113.6	Y176 F209 N220 L223 L261 V288 N289	Y176-P341 HydrophobicContact CD1-CG 4.37Å; Y176-P341 HydrophobicContact CE1-CG 3.59Å; Y176-P341 VanDerWaalsContact CE2-CD 3.46Å; Y176-P341 HydrophobicContact CE2-CG 4.34Å; Y176-P341 WeakPolarHBondContact OH-CG 3.31Å; F209-P341 HydrophobicContact CD1-CG 4.35Å; F209-P341 HydrophobicContact CE1-CG 3.93Å; N220-P341 WeakPolarHBondContact OD1-CA 3.33Å; L223-P341 HydrophobicContact CD1-CB 4.02Å; L223-P341 HydrophobicContact CD1-CG 4.09Å; L223-P341 HydrophobicContact CD2-CG 4.41Å; L223-P341 HydrophobicContact CG-CG 4.32Å; L261-P341 HydrophobicContact CD1-CB 3.67Å; L261-P341 HydrophobicContact CD1-CG 3.59Å; V288-P341 CarbonylContact C-O 3.51Å; V288-P341 WeakPolarHBondContact CA-O 3.43Å; N289-P341 PolarHBondContact N-O 2.66Å
342	V	98.7	Very high	95.8	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	18%	0.179	C	C	.	.			trans	-129.6	151.1	-179.5	-65.9	0	0	0	0	109.8	K218 N220 N289 P292 D344	K218-V342 WeakPolarHBondContact O-CG2 3.42Å; N220-V342 PolarHBondContact ND2-O 3.43Å; N220-V342 PolarHBondContact OD1-N 2.94Å; N220-V342 PolarHBondContact OD1-O 3.27Å; N289-V342 HydrophobicContact CB-CG1 4.14Å; P292-V342 HydrophobicContact CB-CG1 3.84Å; P292-V342 HydrophobicContact CG-CG1 3.88Å; V342-D344 HydrophobicContact CG2-CB 4.3Å; V342-D344 PolarHBondContact O-N 2.81Å
343	I	98.6	Very high	96.1	Very high	66 Å²	66	34 Å²	34	34%	0.338	19%	0.19	S	C	.	.			trans	-74.3	105.9	165.6	-56.6	166.3	0	0	0	106.5	V288 Y290 I348 D351	V288-I343 HydrophobicContact CG1-CG1 4.32Å; Y290-I343 HydrophobicContact CD1-CD1 4.3Å; Y290-I343 HydrophobicContact CE1-CD1 3.75Å; I343-I348 HydrophobicContact CG1-CG2 4.19Å; I343-D351 HydrophobicContact CD1-CB 4.17Å
344	D	97.7	Very high	96.4	Very high	31 Å²	31	35.5 Å²	35.5	17%	0.166	19%	0.192	C	C	.	.			trans	-107.6	-4.1	-176	63.5	-3.5	0	0	0	113.4	N220 V342 D346 V347 I348	N220-D344 PolarHBondContact ND2-OD2 3.06Å; V342-D344 HydrophobicContact CG2-CB 4.3Å; V342-D344 PolarHBondContact O-N 2.81Å; D344-D346 VanDerWaalsContact C-N 3.27Å; D344-D346 PolarHBondContact OD1-N 3.45Å; D344-V347 PolarHBondContact OD1-N 3.15Å; D344-V347 WeakPolarHBondContact OD2-CB 3.39Å; D344-V347 WeakPolarHBondContact OD2-CG2 3.49Å; D344-V347 PolarHBondContact OD2-N 3Å; D344-I348 PolarHBondContact N-O 3.32Å; D344-I348 PolarHBondContact OD1-N 2.92Å
345	G	97.4	Very high	96.7	Very high	57 Å²	57	30.3 Å²	30.3	59%	0.588	17%	0.173	S	C	*	.	S	Bend	trans	73	18	-175.8	0	0	0	0	0	113.5	I348	G345-I348 PolarHBondContact N-O 3.23Å; G345-I348 VanDerWaalsContact N-O 3.16Å
346	D	96.9	Very high	96.9	Very high	47 Å²	47	29.9 Å²	29.9	25%	0.251	17%	0.171	S	C	.	.	S	Bend	trans	-145.3	-75	-171.9	-171.4	-11.1	0	0	0	111.1	K218 H266 H267 D344	K218-D346 IonicContact NZ-OD2 3.09Å; K218-D346 PolarHBondContact NZ-OD2 2.91Å; H266-D346 PolarHBondContact CE1-O 2.84Å; H266-D346 PolarHBondContact ND1-O 3.41Å; H267-D346 IonicContact CD2-OD1 3.82Å; H267-D346 IonicContact CE1-OD1 2.71Å; H267-D346 IonicContact NE2-OD1 3.33Å; H267-D346 PolarHBondContact NE2-OD1 3.15Å; D344-D346 VanDerWaalsContact C-N 3.27Å; D344-D346 PolarHBondContact OD1-N 3.45Å
347	V	97.8	Very high	96.9	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	18%	0.181	C	C	.	.	S	Bend	trans	-71.7	-41.5	175	-175.2	0	0	0	0	110.3	N220 L223 L224 I227 S265 D344	N220-V347 HydrophobicContact CB-CB 4.07Å; N220-V347 HydrophobicContact CB-CG1 4.22Å; N220-V347 HydrophobicContact CB-CG2 4.16Å; L223-V347 HydrophobicContact CB-CG1 4.25Å; L223-V347 HydrophobicContact CD1-CG1 4.34Å; L224-V347 HydrophobicContact CD1-CG2 4.1Å; L224-V347 HydrophobicContact CD2-CG2 3.7Å; L224-V347 HydrophobicContact CG-CG2 3.89Å; I227-V347 HydrophobicContact CD1-CG1 4.21Å; S265-V347 WeakPolarHBondContact CB-O 3.29Å; S265-V347 PolarHBondContact OG-O 3.09Å; D344-V347 PolarHBondContact OD1-N 3.15Å; D344-V347 WeakPolarHBondContact OD2-CB 3.39Å; D344-V347 WeakPolarHBondContact OD2-CG2 3.49Å; D344-V347 PolarHBondContact OD2-N 3Å
348	I	98.4	Very high	96.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-122.2	98	172.2	-56	-61.2	0	0	0	106.5	L223 L261 I343 D344 G345 D350 L355	L223-I348 HydrophobicContact CD1-CD1 4.17Å; L223-I348 HydrophobicContact CD1-CG1 4.2Å; L261-I348 HydrophobicContact CB-CD1 4.02Å; L261-I348 HydrophobicContact CD2-CD1 3.87Å; L261-I348 HydrophobicContact CD2-CG1 4.49Å; I343-I348 HydrophobicContact CG1-CG2 4.19Å; D344-I348 PolarHBondContact N-O 3.32Å; D344-I348 PolarHBondContact OD1-N 2.92Å; G345-I348 PolarHBondContact N-O 3.23Å; G345-I348 VanDerWaalsContact N-O 3.16Å; I348-D350 WeakPolarHBondContact CG2-O 3.27Å; I348-D350 PolarHBondContact O-N 3.46Å; I348-L355 HydrophobicContact CG2-CD1 4.38Å
349	P	97.4	Very high	96.8	Very high	55 Å²	55	37.5 Å²	37.5	36%	0.357	21%	0.208	S	C	.	.			trans	-67.2	-35	-168.9	-25.9	35.8	0	0	0	115.5	L355	P349-L355 HydrophobicContact CB-CD2 4.37Å
350	D	98.2	Very high	96.4	Very high	71 Å²	71	41.9 Å²	41.9	38%	0.38	23%	0.228	S	C	.	.	S	Bend	trans	-150.4	-173.7	-177.3	-152.8	-18.5	0	0	0	109.3	I348 I354 L355	I348-D350 WeakPolarHBondContact CG2-O 3.27Å; I348-D350 PolarHBondContact O-N 3.46Å; D350-I354 HydrophobicContact CB-CG2 4.49Å; D350-L355 HydrophobicContact CB-CD2 4.03Å; D350-L355 HydrophobicContact CB-CG 4.29Å; D350-L355 WeakPolarHBondContact O-CD1 3.42Å
351	D	97.9	Very high	96.1	Very high	41 Å²	41	41.9 Å²	41.9	22%	0.219	23%	0.228	C	C	.	.			trans	-57.7	134.5	175.6	-166.2	-72	0	0	0	112.3	Y290 I343 E353 I354 L355	Y290-D351 PolarHBondContact OH-OD2 3.07Å; I343-D351 HydrophobicContact CD1-CB 4.17Å; D351-E353 PolarHBondContact O-N 2.99Å; D351-E353 VanDerWaalsContact O-N 3.16Å; D351-E353 PolarHBondContact OD1-N 3.02Å; D351-I354 HydrophobicContact CB-CB 4.3Å; D351-I354 HydrophobicContact CB-CD1 3.91Å; D351-I354 HydrophobicContact CB-CG1 4.06Å; D351-I354 WeakPolarHBondContact O-CB 3.41Å; D351-I354 PolarHBondContact O-N 2.98Å; D351-L355 WeakPolarHBondContact O-CG 3.48Å; D351-L355 PolarHBondContact O-N 3.09Å
352	P	97.8	Very high	95.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-55.4	-30.4	179.3	-27.4	35.7	0	0	0	115.5	L261 L264 A282 L283 V288 M356	L261-P352 HydrophobicContact CD2-CG 3.91Å; L264-P352 HydrophobicContact CD1-CB 3.88Å; A282-P352 HydrophobicContact CB-CB 3.7Å; A282-P352 HydrophobicContact CB-CG 4.2Å; L283-P352 HydrophobicContact CD2-CB 4.12Å; V288-P352 HydrophobicContact CG2-CG 3.92Å; P352-M356 VanDerWaalsContact O-CG 3.31Å; P352-M356 WeakPolarHBondContact O-CG 3.49Å; P352-M356 PolarHBondContact O-N 2.97Å
353	E	95.3	Very high	94.9	Very high	105 Å²	105	49.8 Å²	49.8	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-66.8	-44.9	174.6	-168.8	171.6	-160.7	0	0	110.6	L283 D351 L355 M356 E357	L283-E353 HydrophobicContact CD2-CB 3.83Å; L283-E353 HydrophobicContact CD2-CG 4.47Å; D351-E353 PolarHBondContact O-N 2.99Å; D351-E353 VanDerWaalsContact O-N 3.16Å; D351-E353 PolarHBondContact OD1-N 3.02Å; E353-L355 PolarHBondContact O-N 3.09Å; E353-M356 PolarHBondContact O-N 2.88Å; E353-E357 WeakPolarHBondContact O-CG 3.25Å; E353-E357 PolarHBondContact O-N 2.82Å
354	I	96.8	Very high	94.8	Very high	71 Å²	71	47.3 Å²	47.3	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-43.6	177.8	-64.5	176.6	0	0	0	110.8	D350 D351 E357 Q358	D350-I354 HydrophobicContact CB-CG2 4.49Å; D351-I354 HydrophobicContact CB-CB 4.3Å; D351-I354 HydrophobicContact CB-CD1 3.91Å; D351-I354 HydrophobicContact CB-CG1 4.06Å; D351-I354 WeakPolarHBondContact O-CB 3.41Å; D351-I354 PolarHBondContact O-N 2.98Å; I354-E357 PolarHBondContact O-N 3.32Å; I354-Q358 WeakPolarHBondContact O-CB 3.45Å; I354-Q358 VanDerWaalsContact O-CG 3.27Å; I354-Q358 WeakPolarHBondContact O-CG 3.49Å; I354-Q358 PolarHBondContact O-N 3.32Å
355	L	96.3	Very high	94.9	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-35.9	177.6	-61.9	174.5	0	0	0	112.4	L264 I348 P349 D350 D351 E353 G359 E360	L264-L355 HydrophobicContact CB-CB 4.33Å; L264-L355 HydrophobicContact CB-CD1 4.09Å; L264-L355 HydrophobicContact CD1-CB 4.47Å; L264-L355 HydrophobicContact CD2-CB 3.9Å; L264-L355 HydrophobicContact CG-CB 4.44Å; I348-L355 HydrophobicContact CG2-CD1 4.38Å; P349-L355 HydrophobicContact CB-CD2 4.37Å; D350-L355 HydrophobicContact CB-CD2 4.03Å; D350-L355 HydrophobicContact CB-CG 4.29Å; D350-L355 WeakPolarHBondContact O-CD1 3.42Å; D351-L355 WeakPolarHBondContact O-CG 3.48Å; D351-L355 PolarHBondContact O-N 3.09Å; E353-L355 PolarHBondContact O-N 3.09Å; L355-G359 PolarHBondContact O-N 2.94Å; L355-G359 VanDerWaalsContact O-N 3.08Å; L355-E360 HydrophobicContact CD2-CG 4.34Å; L355-E360 PolarHBondContact O-N 3.5Å
356	M	95.9	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-35.7	173.7	-72.6	-171.7	-162.7	0	0	112.9	L264 A282 L283 P352 E353 G359 F361 T455 L458	L264-M356 HydrophobicContact CD1-CE 3.88Å; L264-M356 HydrophobicContact CD1-CG 4.1Å; L264-M356 HydrophobicContact CD2-CG 3.74Å; A282-M356 HydrophobicContact CB-CE 4.05Å; L283-M356 HydrophobicContact CD1-CE 4.39Å; L283-M356 HydrophobicContact CD1-SD 3.97Å; L283-M356 HydrophobicContact CD2-CE 4.2Å; L283-M356 HydrophobicContact CD2-SD 4.25Å; L283-M356 HydrophobicContact CG-CE 4.04Å; L283-M356 HydrophobicContact CG-SD 4.2Å; P352-M356 VanDerWaalsContact O-CG 3.31Å; P352-M356 WeakPolarHBondContact O-CG 3.49Å; P352-M356 PolarHBondContact O-N 2.97Å; E353-M356 PolarHBondContact O-N 2.88Å; M356-G359 PolarHBondContact O-N 3.39Å; M356-F361 HydrophobicContact CB-CE1 3.98Å; M356-F361 HydrophobicContact CB-CE2 4.28Å; M356-F361 HydrophobicContact CB-CZ 3.74Å; M356-F361 HydrophobicContact CE-CE2 4.38Å; M356-F361 HydrophobicContact CG-CD2 4.1Å; M356-F361 HydrophobicContact CG-CE1 4.11Å; M356-F361 HydrophobicContact CG-CE2 3.61Å; M356-F361 HydrophobicContact CG-CZ 3.61Å; M356-F361 WeakPolarHBondContact O-CE1 3.48Å; M356-F361 HydrophobicContact SD-CE2 3.77Å; M356-F361 HydrophobicContact SD-CZ 4.03Å; M356-T455 HydrophobicContact CE-CG2 3.95Å; M356-T455 HydrophobicContact SD-CG2 4.05Å; M356-L458 HydrophobicContact CB-CB 4.24Å; M356-L458 HydrophobicContact CB-CD1 3.59Å; M356-L458 HydrophobicContact CB-CG 4.47Å; M356-L458 HydrophobicContact SD-CD1 4.25Å
357	E	94.6	Very high	95	Very high	100 Å²	100	42.3 Å²	42.3	47%	0.467	22%	0.217	S	C	.	.	H	α-helix	trans	-66	-41.5	174.1	-72.1	-130.3	108.8	0	0	112.1	E353 I354 G359 L458 R461 Y462	E353-E357 WeakPolarHBondContact O-CG 3.25Å; E353-E357 PolarHBondContact O-N 2.82Å; I354-E357 PolarHBondContact O-N 3.32Å; E357-G359 VanDerWaalsContact C-N 3.33Å; E357-L458 HydrophobicContact CG-CD2 4.06Å; E357-R461 IonicContact OE1-NH1 2.79Å; E357-R461 PolarHBondContact OE1-NH1 2.8Å; E357-Y462 PolarHBondContact O-OH 3.21Å
358	Q	93.1	Very high	95.1	Very high	117 Å²	117	42.2 Å²	42.2	55%	0.547	22%	0.216	S	C	.	.	H	α-helix	trans	-66.2	-32.9	176.2	-71.4	174.8	20.1	0	0	112.7	I354	I354-Q358 WeakPolarHBondContact O-CB 3.45Å; I354-Q358 VanDerWaalsContact O-CG 3.27Å; I354-Q358 WeakPolarHBondContact O-CG 3.49Å; I354-Q358 PolarHBondContact O-N 3.32Å
359	G	91.9	Very high	95.1	Very high	11 Å²	11	42.2 Å²	42.2	11%	0.113	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.5	22	171.8	0	0	0	0	0	115.5	L355 M356 E357 F361 L362	L355-G359 PolarHBondContact O-N 2.94Å; L355-G359 VanDerWaalsContact O-N 3.08Å; M356-G359 PolarHBondContact O-N 3.39Å; E357-G359 VanDerWaalsContact C-N 3.33Å; G359-F361 PolarHBondContact O-N 2.94Å; G359-L362 WeakPolarHBondContact O-CB 3.4Å; G359-L362 WeakPolarHBondContact O-CD1 3.46Å; G359-L362 WeakPolarHBondContact O-CG 3.46Å; G359-L362 PolarHBondContact O-N 2.99Å; G359-L362 VanDerWaalsContact O-N 3.11Å
360	E	88.8	Confident	95.2	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.439	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-56.9	-36	-178.8	-60.3	-55.9	122.2	0	0	112.7	L355 L362	L355-E360 HydrophobicContact CD2-CG 4.34Å; L355-E360 PolarHBondContact O-N 3.5Å; E360-L362 VanDerWaalsContact C-N 3.34Å; E360-L362 PolarHBondContact O-N 3.16Å
361	F	89.9	Confident	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-78.8	3.6	178.4	70.7	-20.4	0	0	0	116.9	T263 L264 M356 G359 N363 Y364 I366 T455 L458 H459	T263-F361 VanDerWaalsContact O-CA 3.29Å; T263-F361 WeakPolarHBondContact O-CA 3.18Å; T263-F361 WeakPolarHBondContact O-CB 3Å; L264-F361 HydrophobicContact CD2-CB 3.78Å; L264-F361 HydrophobicContact CD2-CD1 4.41Å; L264-F361 HydrophobicContact CD2-CD2 4.23Å; L264-F361 HydrophobicContact CD2-CG 3.91Å; M356-F361 HydrophobicContact CB-CE1 3.98Å; M356-F361 HydrophobicContact CB-CE2 4.28Å; M356-F361 HydrophobicContact CB-CZ 3.74Å; M356-F361 HydrophobicContact CE-CE2 4.38Å; M356-F361 HydrophobicContact CG-CD2 4.1Å; M356-F361 HydrophobicContact CG-CE1 4.11Å; M356-F361 HydrophobicContact CG-CE2 3.61Å; M356-F361 HydrophobicContact CG-CZ 3.61Å; M356-F361 WeakPolarHBondContact O-CE1 3.48Å; M356-F361 HydrophobicContact SD-CE2 3.77Å; M356-F361 HydrophobicContact SD-CZ 4.03Å; G359-F361 PolarHBondContact O-N 2.94Å; F361-N363 PolarHBondContact O-N 3.49Å; F361-N363 VanDerWaalsContact O-N 3.13Å; F361-Y364 VanDerWaalsContact O-CD2 3.29Å; F361-Y364 WeakPolarHBondContact O-CD2 3.08Å; F361-I366 HydrophobicContact CD2-CD1 4.18Å; F361-T455 HydrophobicContact CE2-CG2 4.2Å; F361-L458 HydrophobicContact CE1-CB 4.47Å; F361-L458 HydrophobicContact CZ-CB 3.86Å; F361-H459 HydrophobicContact CE1-CB 4.31Å; F361-H459 HydrophobicContact CE2-CB 3.82Å; F361-H459 HydrophobicContact CZ-CB 3.69Å; F361-H459 PolarHBondContact O-NE2 3.4Å
362	L	85.4	Confident	95.2	Very high	38 Å²	38	35.5 Å²	35.5	20%	0.199	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-73.4	-6.6	-170.5	-66.3	173.5	0	0	0	115.4	G359 E360 Y364 H459 Y462 S464	G359-L362 WeakPolarHBondContact O-CB 3.4Å; G359-L362 WeakPolarHBondContact O-CD1 3.46Å; G359-L362 WeakPolarHBondContact O-CG 3.46Å; G359-L362 PolarHBondContact O-N 2.99Å; G359-L362 VanDerWaalsContact O-N 3.11Å; E360-L362 VanDerWaalsContact C-N 3.34Å; E360-L362 PolarHBondContact O-N 3.16Å; L362-Y364 VanDerWaalsContact C-N 3.3Å; L362-Y364 PolarHBondContact O-N 2.92Å; L362-H459 WeakPolarHBondContact CD2-O 2.96Å; L362-Y462 HydrophobicContact CD1-CD1 4.26Å; L362-Y462 HydrophobicContact CD1-CD2 3.51Å; L362-Y462 HydrophobicContact CD1-CE2 4.12Å; L362-Y462 HydrophobicContact CD1-CG 3.53Å; L362-Y462 HydrophobicContact CD2-CD2 3.78Å; L362-Y462 HydrophobicContact CD2-CG 4.24Å; L362-Y462 HydrophobicContact CG-CD2 4.22Å; L362-S464 PolarHBondContact O-OG 2.82Å
363	N	87.6	Confident	95.1	Very high	132 Å²	132	35.6 Å²	35.6	71%	0.706	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-78.6	-5.3	-177.5	-69.4	-51.4	0	0	0	114.7	F361	F361-N363 PolarHBondContact O-N 3.49Å; F361-N363 VanDerWaalsContact O-N 3.13Å
364	Y	96.6	Very high	95.2	Very high	13 Å²	13	30.8 Å²	30.8	5%	0.051	16%	0.155	C	C	.	.	S	Bend	trans	-109.8	151.7	-171.7	-51.6	-73.4	0	0	0	112.5	T263 F272 F361 L362 H459	T263-Y364 HydrophobicContact CG2-CD2 3.66Å; T263-Y364 HydrophobicContact CG2-CE2 3.95Å; T263-Y364 HydrophobicContact CG2-CG 4.16Å; T263-Y364 WeakPolarHBondContact O-CE2 3.35Å; F272-Y364 AromaticContact CD2-CD1 3.86Å; F272-Y364 HydrophobicContact CD2-CD1 3.86Å; F272-Y364 AromaticContact CD2-CE1 3.84Å; F272-Y364 HydrophobicContact CD2-CE1 3.84Å; F272-Y364 AromaticContact CE2-CD1 3.68Å; F272-Y364 HydrophobicContact CE2-CD1 3.68Å; F272-Y364 AromaticContact CE2-CE1 3.61Å; F272-Y364 HydrophobicContact CE2-CE1 3.61Å; F272-Y364 HydrophobicContact CE2-CG 4.23Å; F272-Y364 HydrophobicContact CG-CE1 4.4Å; F272-Y364 HydrophobicContact CZ-CD1 4.48Å; F272-Y364 HydrophobicContact CZ-CE1 4Å; F272-Y364 WeakPolarHBondContact O-CE1 3.33Å; F361-Y364 VanDerWaalsContact O-CD2 3.29Å; F361-Y364 WeakPolarHBondContact O-CD2 3.08Å; L362-Y364 VanDerWaalsContact C-N 3.3Å; L362-Y364 PolarHBondContact O-N 2.92Å; Y364-H459 PolarHBondContact O-CE1 3.19Å; Y364-H459 VanDerWaalsContact O-CE1 3.23Å; Y364-H459 PolarHBondContact O-NE2 2.94Å
365	D	98.3	Very high	95.1	Very high	30 Å²	30	27.4 Å²	27.4	16%	0.16	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.5	156.6	-57.8	-55.5	0	0	0	107.8	H273 R274 A275 P465 F529 G533	H273-D365 PolarHBondContact O-N 3.16Å; R274-D365 CarbonylContact C-O 3.6Å; R274-D365 VanDerWaalsContact CA-O 3.23Å; R274-D365 WeakPolarHBondContact CA-O 3.37Å; R274-D365 HydrophobicContact CB-CB 4.33Å; R274-D365 HydrophobicContact CG-CB 3.92Å; R274-D365 IonicContact CZ-OD2 3.27Å; R274-D365 VanDerWaalsContact CZ-OD2 3.27Å; R274-D365 IonicContact NE-OD2 2.73Å; R274-D365 PolarHBondContact NE-OD2 3.21Å; R274-D365 IonicContact NH2-OD2 2.91Å; R274-D365 PolarHBondContact NH2-OD2 2.98Å; A275-D365 PolarHBondContact N-O 3.21Å; D365-P465 HydrophobicContact CB-CB 4.45Å; D365-P465 WeakPolarHBondContact OD1-CB 3.27Å; D365-P465 WeakPolarHBondContact OD1-CG 3.36Å; D365-F529 HydrophobicContact CB-CE2 3.82Å; D365-F529 HydrophobicContact CB-CZ 3.68Å; D365-F529 WeakPolarHBondContact O-CZ 2.97Å; D365-G533 VanDerWaalsContact OD2-CA 3.3Å; D365-G533 WeakPolarHBondContact OD2-CA 2.95Å
366	I	98.7	Very high	95	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.2	178.2	-56.2	-170.5	0	0	0	112.3	A275 I277 F361 L368 H459 P465 T466 Y467	A275-I366 HydrophobicContact CB-CG1 4.21Å; A275-I366 WeakPolarHBondContact O-CA 3.06Å; I277-I366 HydrophobicContact CD1-CG2 3.99Å; I277-I366 HydrophobicContact CG1-CG2 4.46Å; F361-I366 HydrophobicContact CD2-CD1 4.18Å; I366-L368 HydrophobicContact CG2-CB 4.4Å; I366-L368 HydrophobicContact CG2-CD2 4.29Å; I366-H459 VanDerWaalsContact CD1-CD2 3.5Å; I366-H459 WeakPolarHBondContact CD1-CD2 3.42Å; I366-H459 VanDerWaalsContact CG1-CE1 3.49Å; I366-H459 WeakPolarHBondContact CG1-CE1 3.47Å; I366-P465 PolarHBondContact N-O 3.18Å; I366-T466 CarbonylContact O-C 3.57Å; I366-T466 VanDerWaalsContact O-CA 3.29Å; I366-T466 WeakPolarHBondContact O-CA 3.41Å; I366-Y467 PolarHBondContact O-N 2.8Å
367	M	98.9	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135	161.6	177.4	-171.3	-68.6	0	0	108.3	A275 I276 I277 Y467 W526 F529 P535 W558	A275-M367 PolarHBondContact O-N 3.16Å; I276-M367 CarbonylContact C-O 3.52Å; I276-M367 VanDerWaalsContact CA-O 3.27Å; I276-M367 WeakPolarHBondContact CA-O 3.29Å; I276-M367 HydrophobicContact CB-CB 4.48Å; I276-M367 HydrophobicContact CD1-SD 4.37Å; I276-M367 HydrophobicContact CG1-CB 4.25Å; I276-M367 HydrophobicContact CG1-SD 4.47Å; I276-M367 HydrophobicContact CG2-CB 4.07Å; I276-M367 HydrophobicContact CG2-CG 3.99Å; I276-M367 HydrophobicContact CG2-SD 3.77Å; I277-M367 PolarHBondContact N-O 2.64Å; M367-Y467 WeakPolarHBondContact CA-O 3.37Å; M367-W526 HydrophobicContact SD-CD2 4.01Å; M367-W526 HydrophobicContact SD-CE3 3.93Å; M367-W526 HydrophobicContact SD-CH2 4.24Å; M367-W526 HydrophobicContact SD-CZ2 4.31Å; M367-W526 HydrophobicContact SD-CZ3 4.05Å; M367-F529 HydrophobicContact CB-CD1 4.13Å; M367-F529 HydrophobicContact CB-CD2 4.49Å; M367-F529 HydrophobicContact CB-CE1 3.85Å; M367-F529 HydrophobicContact CB-CE2 4.23Å; M367-F529 HydrophobicContact CB-CG 4.43Å; M367-F529 HydrophobicContact CB-CZ 3.89Å; M367-F529 HydrophobicContact CE-CB 3.6Å; M367-F529 HydrophobicContact CE-CD1 4.2Å; M367-F529 HydrophobicContact CE-CD2 4.14Å; M367-F529 HydrophobicContact CE-CG 3.73Å; M367-P535 HydrophobicContact CE-CB 3.74Å; M367-P535 HydrophobicContact CE-CG 4.27Å; M367-W558 HydrophobicContact CE-CE3 4.39Å; M367-W558 HydrophobicContact CE-CH2 3.64Å; M367-W558 HydrophobicContact CE-CZ2 4.45Å; M367-W558 HydrophobicContact CE-CZ3 3.6Å; M367-W558 HydrophobicContact CG-CH2 3.71Å; M367-W558 HydrophobicContact CG-CZ2 4.06Å; M367-W558 HydrophobicContact SD-CH2 3.51Å; M367-W558 VanDerWaalsContact SD-CH2 3.51Å; M367-W558 HydrophobicContact SD-CZ2 4.43Å; M367-W558 HydrophobicContact SD-CZ3 3.96Å
368	L	98.8	Very high	94.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	162.9	177.1	75	178.4	0	0	0	112.2	I277 I366 S452 T455 A456 T466 Y467 F468 Y469	I277-L368 HydrophobicContact CB-CB 3.9Å; I277-L368 VanDerWaalsContact O-CA 3.28Å; I277-L368 WeakPolarHBondContact O-CA 3.37Å; I277-L368 WeakPolarHBondContact O-CB 3.44Å; I366-L368 HydrophobicContact CG2-CB 4.4Å; I366-L368 HydrophobicContact CG2-CD2 4.29Å; L368-S452 WeakPolarHBondContact CD1-O 3.2Å; L368-T455 HydrophobicContact CD1-CG2 3.84Å; L368-A456 HydrophobicContact CD1-CB 4.11Å; L368-A456 HydrophobicContact CD2-CB 3.98Å; L368-A456 HydrophobicContact CG-CB 4.41Å; L368-T466 HydrophobicContact CD2-CG2 3.84Å; L368-Y467 PolarHBondContact N-O 2.73Å; L368-F468 HydrophobicContact CD2-CD2 3.88Å; L368-F468 HydrophobicContact CG-CD2 3.88Å; L368-F468 HydrophobicContact CG-CE2 4.08Å; L368-F468 CarbonylContact O-C 3.57Å; L368-F468 VanDerWaalsContact O-CA 3.24Å; L368-F468 WeakPolarHBondContact O-CA 3.45Å; L368-Y469 VanDerWaalsContact O-CD1 3.31Å; L368-Y469 WeakPolarHBondContact O-CD1 3.21Å; L368-Y469 PolarHBondContact O-N 2.83Å
369	G	98.7	Very high	94.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	178.5	179.7	0	0	0	0	0	113.4	I277 S279 Y469	I277-G369 PolarHBondContact O-N 3.47Å; S279-G369 PolarHBondContact N-O 3.19Å; G369-Y469 WeakPolarHBondContact CA-O 3.3Å
370	V	98.8	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.2	-170.3	-64.7	0	0	0	0	111.3	E374 W448 V449 S452 Y469 A470 F471 Y581	V370-E374 WeakPolarHBondContact CA-OE1 3.41Å; V370-W448 HydrophobicContact CG1-CB 4.04Å; V370-V449 HydrophobicContact CG2-CG2 4.18Å; V370-S452 WeakPolarHBondContact CG1-OG 3.48Å; V370-Y469 PolarHBondContact N-O 2.71Å; V370-A470 CarbonylContact O-C 3.44Å; V370-A470 VanDerWaalsContact O-CA 3.29Å; V370-A470 WeakPolarHBondContact O-CA 3.46Å; V370-F471 PolarHBondContact O-N 3.09Å; V370-Y581 HydrophobicContact CG2-CD1 4.39Å; V370-Y581 HydrophobicContact CG2-CE1 3.55Å
371	N	98.7	Very high	94.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	156.2	176.2	-57.6	-15.8	0	0	0	110.2	G373 E374 F471 A486 A487 E491	N371-G373 VanDerWaalsContact C-N 3.28Å; N371-G373 PolarHBondContact O-N 3.45Å; N371-E374 HydrophobicContact CB-CG 4.4Å; N371-E374 PolarHBondContact N-OE1 3.08Å; N371-F471 HydrophobicContact CB-CB 4.45Å; N371-F471 WeakPolarHBondContact OD1-CB 3.3Å; N371-A486 HydrophobicContact CB-CB 4.4Å; N371-A487 PolarHBondContact ND2-O 2.91Å; N371-E491 PolarHBondContact ND2-OE2 2.71Å
372	Q	97.6	Very high	94.2	Very high	26 Å²	26	26.5 Å²	26.5	12%	0.121	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.7	-171.5	-175.4	-171.3	-14.7	0	0	114.8	F471 Y472 D485 A486	Q372-F471 WeakPolarHBondContact CB-O 3.28Å; Q372-F471 PolarHBondContact N-O 3.15Å; Q372-Y472 HydrophobicContact CB-CD1 4.11Å; Q372-Y472 HydrophobicContact CB-CE1 4.34Å; Q372-Y472 HydrophobicContact CB-CG 4.3Å; Q372-Y472 HydrophobicContact CG-CD1 3.65Å; Q372-Y472 HydrophobicContact CG-CE1 3.61Å; Q372-Y472 HydrophobicContact CG-CG 4.34Å; Q372-D485 HydrophobicContact CB-CB 4.25Å; Q372-D485 HydrophobicContact CG-CB 3.98Å; Q372-D485 PolarHBondContact NE2-OD1 3.16Å; Q372-A486 HydrophobicContact CB-CB 4.35Å; Q372-A486 PolarHBondContact N-O 3.17Å
373	G	96.4	Very high	94.6	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.031	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.9	49.7	-172.3	0	0	0	0	0	112.4	N371 G375 L376 A486 A487	N371-G373 VanDerWaalsContact C-N 3.28Å; N371-G373 PolarHBondContact O-N 3.45Å; G373-G375 PolarHBondContact O-N 2.91Å; G373-G375 VanDerWaalsContact O-N 3.14Å; G373-L376 PolarHBondContact O-N 3.45Å; G373-A486 CarbonylContact C-O 3.54Å; G373-A486 WeakPolarHBondContact CA-O 3.37Å; G373-A486 PolarHBondContact N-O 3.35Å; G373-A487 WeakPolarHBondContact O-CA 3.47Å
374	E	97.4	Very high	94.9	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.019	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.3	-49.9	176.4	-57.1	-80.2	-170.1	0	0	112.3	S279 V370 N371 L376 T444 W448 H488	S279-E374 WeakPolarHBondContact CB-OE1 3.49Å; S279-E374 PolarHBondContact OG-OE1 3.4Å; V370-E374 WeakPolarHBondContact CA-OE1 3.41Å; N371-E374 HydrophobicContact CB-CG 4.4Å; N371-E374 PolarHBondContact N-OE1 3.08Å; E374-L376 PolarHBondContact O-N 3.5Å; E374-T444 HydrophobicContact CB-CG2 3.95Å; E374-T444 HydrophobicContact CG-CG2 3.84Å; E374-T444 PolarHBondContact N-OG1 2.77Å; E374-W448 HydrophobicContact CB-CD2 3.45Å; E374-W448 VanDerWaalsContact CB-CD2 3.45Å; E374-W448 HydrophobicContact CB-CE3 3.34Å; E374-W448 HydrophobicContact CB-CG 4.05Å; E374-W448 HydrophobicContact CB-CH2 3.93Å; E374-W448 HydrophobicContact CB-CZ2 4.05Å; E374-W448 HydrophobicContact CB-CZ3 3.59Å; E374-W448 HydrophobicContact CG-CB 3.96Å; E374-W448 HydrophobicContact CG-CD2 3.73Å; E374-W448 HydrophobicContact CG-CE3 4.02Å; E374-W448 HydrophobicContact CG-CG 3.74Å; E374-H488 VanDerWaalsContact OE2-CA 3.26Å; E374-H488 WeakPolarHBondContact OE2-CA 3.27Å; E374-H488 IonicContact OE2-CE1 3.86Å; E374-H488 IonicContact OE2-CG 3.12Å; E374-H488 IonicContact OE2-ND1 2.83Å; E374-H488 PolarHBondContact OE2-ND1 2.57Å
375	G	94.9	Very high	94.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	28.6	-173.8	0	0	0	0	0	116.6	G373 R377 F378 T444	G373-G375 PolarHBondContact O-N 2.91Å; G373-G375 VanDerWaalsContact O-N 3.14Å; G375-R377 VanDerWaalsContact C-N 3.26Å; G375-R377 PolarHBondContact O-N 3.14Å; G375-F378 VanDerWaalsContact O-CB 3.3Å; G375-F378 WeakPolarHBondContact O-CB 3.42Å; G375-F378 PolarHBondContact O-N 2.61Å; G375-T444 PolarHBondContact N-OG1 3.19Å
376	L	94.3	Very high	94.3	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-54.3	-43.1	-179.8	-174.4	65.4	0	0	0	112.4	I126 G373 E374 F378 V379 K480 W483 A487	I126-L376 HydrophobicContact CD1-CB 3.95Å; I126-L376 HydrophobicContact CD1-CD2 3.53Å; I126-L376 HydrophobicContact CD1-CG 4.25Å; G373-L376 PolarHBondContact O-N 3.45Å; E374-L376 PolarHBondContact O-N 3.5Å; L376-F378 PolarHBondContact O-N 3.05Å; L376-V379 WeakPolarHBondContact O-CG2 3.25Å; L376-V379 PolarHBondContact O-N 2.79Å; L376-K480 HydrophobicContact CD2-CG 4.06Å; L376-W483 HydrophobicContact CD1-CE3 4.25Å; L376-W483 HydrophobicContact CD1-CH2 3.37Å; L376-W483 HydrophobicContact CD1-CZ2 4.44Å; L376-W483 HydrophobicContact CD1-CZ3 3.24Å; L376-A487 HydrophobicContact CB-CB 3.92Å; L376-A487 HydrophobicContact CD2-CB 4.08Å
377	R	91.7	Very high	94	Very high	34 Å²	34	38.4 Å²	38.4	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-68.4	-10.6	179.8	-67.7	-58.8	-155.8	132.9	16.7	114.4	E121 I122 T129 G375 E380	E121-R377 IonicContact OE2-CZ 2.77Å; E121-R377 IonicContact OE2-NH1 2.83Å; E121-R377 PolarHBondContact OE2-NH1 3.02Å; E121-R377 IonicContact OE2-NH2 3.8Å; E121-R377 PolarHBondContact OE2-NH2 3.46Å; I122-R377 HydrophobicContact CB-CB 4.41Å; I122-R377 HydrophobicContact CG1-CB 4.38Å; T129-R377 PolarHBondContact OG1-NH2 2.97Å; G375-R377 VanDerWaalsContact C-N 3.26Å; G375-R377 PolarHBondContact O-N 3.14Å; R377-E380 WeakPolarHBondContact CD-OE2 3.43Å; R377-E380 IonicContact CZ-OE2 3.23Å; R377-E380 IonicContact NE-OE2 2.88Å; R377-E380 IonicContact NH1-OE1 3.45Å; R377-E380 IonicContact NH1-OE2 3.1Å; R377-E380 PolarHBondContact NH1-OE2 2.99Å
378	F	92.5	Very high	93.8	Very high	14 Å²	14	38.5 Å²	38.5	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-72.7	-32	174.6	176.7	-118	0	0	0	112.8	I122 Y335 G375 L376 F401 L439 F443	I122-F378 HydrophobicContact CD1-CB 3.91Å; I122-F378 HydrophobicContact CD1-CD2 4.03Å; I122-F378 HydrophobicContact CD1-CG 4.48Å; Y335-F378 WeakPolarHBondContact OH-CE2 3.32Å; G375-F378 VanDerWaalsContact O-CB 3.3Å; G375-F378 WeakPolarHBondContact O-CB 3.42Å; G375-F378 PolarHBondContact O-N 2.61Å; L376-F378 PolarHBondContact O-N 3.05Å; F378-F401 HydrophobicContact CE2-CB 4.46Å; F378-F401 HydrophobicContact CZ-CB 4.22Å; F378-F401 HydrophobicContact CZ-CD2 4.5Å; F378-L439 HydrophobicContact CD1-CB 4.35Å; F378-L439 WeakPolarHBondContact CD1-O 3.05Å; F378-L439 HydrophobicContact CE1-CB 4.15Å; F378-L439 HydrophobicContact CE1-CD2 4.16Å; F378-F443 HydrophobicContact CB-CB 3.9Å; F378-F443 HydrophobicContact CB-CD1 3.73Å; F378-F443 HydrophobicContact CB-CD2 4.34Å; F378-F443 HydrophobicContact CB-CE1 4.38Å; F378-F443 HydrophobicContact CB-CG 3.71Å; F378-F443 HydrophobicContact CD1-CB 3.54Å; F378-F443 HydrophobicContact CD1-CD2 4.35Å; F378-F443 HydrophobicContact CD1-CG 4.02Å; F378-F443 HydrophobicContact CD2-CB 4.4Å; F378-F443 AromaticContact CD2-CD2 3.75Å; F378-F443 HydrophobicContact CD2-CD2 3.75Å; F378-F443 HydrophobicContact CD2-CE2 4.19Å; F378-F443 AromaticContact CD2-CG 3.99Å; F378-F443 HydrophobicContact CD2-CG 3.99Å; F378-F443 HydrophobicContact CE1-CB 4.1Å; F378-F443 HydrophobicContact CE2-CD2 4.08Å; F378-F443 HydrophobicContact CG-CB 3.7Å; F378-F443 HydrophobicContact CG-CD1 4.18Å; F378-F443 AromaticContact CG-CD2 3.9Å; F378-F443 HydrophobicContact CG-CD2 3.9Å; F378-F443 AromaticContact CG-CG 3.64Å; F378-F443 HydrophobicContact CG-CG 3.64Å; F378-F443 HydrophobicContact CZ-CD2 4.49Å
379	V	91.4	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-100.2	-17	-175.8	-57.9	0	0	0	0	114.2	L376 N381 V382 V383 R436 L439 V440 W483	L376-V379 WeakPolarHBondContact O-CG2 3.25Å; L376-V379 PolarHBondContact O-N 2.79Å; V379-N381 VanDerWaalsContact C-N 3.27Å; V379-N381 PolarHBondContact O-N 2.93Å; V379-N381 VanDerWaalsContact O-N 3.11Å; V379-V382 HydrophobicContact CB-CG2 4.34Å; V379-V382 CarbonylContact O-C 3.36Å; V379-V382 WeakPolarHBondContact O-CA 3.36Å; V379-V382 WeakPolarHBondContact O-CG2 3.44Å; V379-V382 PolarHBondContact O-N 2.96Å; V379-V383 HydrophobicContact CB-CG2 4.15Å; V379-V383 HydrophobicContact CG2-CG2 3.93Å; V379-V383 WeakPolarHBondContact O-CG2 3.41Å; V379-V383 PolarHBondContact O-N 3.32Å; V379-V383 VanDerWaalsContact O-N 3.14Å; V379-R436 HydrophobicContact CB-CG 4.41Å; V379-R436 HydrophobicContact CG2-CG 4.05Å; V379-L439 HydrophobicContact CG1-CB 3.46Å; V379-L439 VanDerWaalsContact CG1-CB 3.46Å; V379-L439 HydrophobicContact CG1-CD1 4.32Å; V379-V440 HydrophobicContact CB-CG2 4.24Å; V379-V440 HydrophobicContact CG1-CG2 3.69Å; V379-V440 HydrophobicContact CG2-CG2 3.47Å; V379-V440 VanDerWaalsContact CG2-CG2 3.47Å; V379-W483 HydrophobicContact CG2-CH2 3.91Å
380	E	84.3	Confident	93.7	Very high	63 Å²	63	40.2 Å²	40.2	29%	0.294	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-53.8	-38.9	-167.1	-169.3	172.1	-139.5	0	0	114.3	R377 V382	R377-E380 WeakPolarHBondContact CD-OE2 3.43Å; R377-E380 IonicContact CZ-OE2 3.23Å; R377-E380 IonicContact NE-OE2 2.88Å; R377-E380 IonicContact NH1-OE1 3.45Å; R377-E380 IonicContact NH1-OE2 3.1Å; R377-E380 PolarHBondContact NH1-OE2 2.99Å; E380-V382 VanDerWaalsContact C-N 3.29Å; E380-V382 PolarHBondContact O-N 3.25Å
381	N	86.1	Confident	93.5	Very high	159 Å²	159	41.8 Å²	41.8	85%	0.85	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-78.5	-4.2	178.2	-68.6	-48.9	0	0	0	114.9	V379	V379-N381 VanDerWaalsContact C-N 3.27Å; V379-N381 PolarHBondContact O-N 2.93Å; V379-N381 VanDerWaalsContact O-N 3.11Å
382	V	92.2	Very high	93.4	Very high	33 Å²	33	48.2 Å²	48.2	20%	0.2	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-122.4	6.2	177.8	-62.5	0	0	0	0	113.3	V379 E380 V389 D393	V379-V382 HydrophobicContact CB-CG2 4.34Å; V379-V382 CarbonylContact O-C 3.36Å; V379-V382 WeakPolarHBondContact O-CA 3.36Å; V379-V382 WeakPolarHBondContact O-CG2 3.44Å; V379-V382 PolarHBondContact O-N 2.96Å; E380-V382 VanDerWaalsContact C-N 3.29Å; E380-V382 PolarHBondContact O-N 3.25Å; V382-V389 HydrophobicContact CG2-CG1 4.22Å; V382-V389 HydrophobicContact CG2-CG2 4.33Å; V382-D393 HydrophobicContact CB-CB 4.09Å; V382-D393 HydrophobicContact CG1-CB 4.3Å
383	V	93.4	Very high	93.4	Very high	36 Å²	36	50 Å²	50	22%	0.218	28%	0.281	C	S	.	.			trans	-82.2	130.9	173.4	172.6	0	0	0	0	110.3	V379 G388 V389 R436 W483	V379-V383 HydrophobicContact CB-CG2 4.15Å; V379-V383 HydrophobicContact CG2-CG2 3.93Å; V379-V383 WeakPolarHBondContact O-CG2 3.41Å; V379-V383 PolarHBondContact O-N 3.32Å; V379-V383 VanDerWaalsContact O-N 3.14Å; V383-G388 CarbonylContact C-O 3.54Å; V383-G388 VanDerWaalsContact CA-O 3.26Å; V383-G388 WeakPolarHBondContact CA-O 3.46Å; V383-V389 HydrophobicContact CG2-CG2 3.96Å; V383-R436 HydrophobicContact CG2-CG 3.76Å; V383-W483 HydrophobicContact CG1-CZ2 4.22Å; V383-W483 HydrophobicContact CG2-CH2 4.34Å; V383-W483 HydrophobicContact CG2-CZ2 4.03Å
384	D	92.6	Very high	93.4	Very high	66 Å²	66	50.1 Å²	50.1	35%	0.353	28%	0.281	S	S	.	.			trans	-85	173.8	176.4	65.4	50.6	0	0	0	113	E386 D387 G388	D384-E386 PolarHBondContact O-N 2.73Å; D384-E386 VanDerWaalsContact O-N 3.16Å; D384-E386 WeakPolarHBondContact OD1-CA 3.43Å; D384-E386 PolarHBondContact OD1-N 2.83Å; D384-D387 PolarHBondContact O-N 3.26Å; D384-D387 VanDerWaalsContact O-N 3.11Å; D384-D387 PolarHBondContact OD1-N 2.7Å; D384-G388 PolarHBondContact N-O 2.75Å; D384-G388 WeakPolarHBondContact OD1-CA 3.36Å; D384-G388 PolarHBondContact OD1-N 3.05Å; D384-G388 VanDerWaalsContact OD2-CA 3.28Å; D384-G388 WeakPolarHBondContact OD2-CA 3.43Å
385	S	91.5	Very high	93.3	Very high	126 Å²	126	53.1 Å²	53.1	88%	0.881	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.2	-178.6	56.2	0	0	0	0	115.1
386	E	92	Very high	93.4	Very high	171 Å²	171	59.1 Å²	59.1	80%	0.799	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	19.7	173.1	-57.6	-169.2	164.3	0	0	111.2	D384 G388	D384-E386 PolarHBondContact O-N 2.73Å; D384-E386 VanDerWaalsContact O-N 3.16Å; D384-E386 WeakPolarHBondContact OD1-CA 3.43Å; D384-E386 PolarHBondContact OD1-N 2.83Å; E386-G388 PolarHBondContact O-N 3.29Å
387	D	92.4	Very high	93.4	Very high	64 Å²	64	59.2 Å²	59.2	34%	0.342	32%	0.324	S	S	.	.	S	Bend	trans	59.8	18.6	-174.1	-62.4	-41.1	0	0	0	113.8	D384 R436 W483	D384-D387 PolarHBondContact O-N 3.26Å; D384-D387 VanDerWaalsContact O-N 3.11Å; D384-D387 PolarHBondContact OD1-N 2.7Å; D387-R436 WeakPolarHBondContact O-CD 3.24Å; D387-R436 PolarHBondContact O-NH1 2.9Å; D387-W483 HydrophobicContact CB-CG 4.32Å; D387-W483 PolarHBondContact OD1-NE1 3.04Å; D387-W483 VanDerWaalsContact OD2-CD1 3.29Å
388	G	94.8	Very high	93.6	Very high	2 Å²	2	57.6 Å²	57.6	2%	0.021	32%	0.318	C	S	.	.			trans	-90	173.1	-180	0	0	0	0	0	114.4	V383 D384 E386 P432	V383-G388 CarbonylContact C-O 3.54Å; V383-G388 VanDerWaalsContact CA-O 3.26Å; V383-G388 WeakPolarHBondContact CA-O 3.46Å; D384-G388 PolarHBondContact N-O 2.75Å; D384-G388 WeakPolarHBondContact OD1-CA 3.36Å; D384-G388 PolarHBondContact OD1-N 3.05Å; D384-G388 VanDerWaalsContact OD2-CA 3.28Å; D384-G388 WeakPolarHBondContact OD2-CA 3.43Å; E386-G388 PolarHBondContact O-N 3.29Å; G388-P432 VanDerWaalsContact CA-CB 3.44Å
389	V	97.1	Very high	93.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.325	C	S	.	.			trans	-132.2	137.6	160.8	177.2	0	0	0	0	108.4	V382 V383 D393 P432 R435 R436 L439	V382-V389 HydrophobicContact CG2-CG1 4.22Å; V382-V389 HydrophobicContact CG2-CG2 4.33Å; V383-V389 HydrophobicContact CG2-CG2 3.96Å; V389-D393 HydrophobicContact CG1-CB 3.88Å; V389-P432 PolarHBondContact N-O 2.82Å; V389-R435 VanDerWaalsContact O-CZ 3.29Å; V389-R435 PolarHBondContact O-NE 3.42Å; V389-R435 PolarHBondContact O-NH2 2.78Å; V389-R436 HydrophobicContact CB-CB 4.33Å; V389-R436 HydrophobicContact CG2-CB 3.65Å; V389-R436 HydrophobicContact CG2-CG 3.73Å; V389-L439 HydrophobicContact CB-CD1 4.35Å; V389-L439 HydrophobicContact CG1-CD1 3.73Å; V389-L439 HydrophobicContact CG2-CD1 4.4Å
390	S	97.2	Very high	93.7	Very high	38 Å²	38	59.8 Å²	59.8	27%	0.266	33%	0.332	S	S	.	.			trans	-72.6	165.5	-179.3	99.1	0	0	0	0	112.7	N392 D393 F394 R435	S390-N392 VanDerWaalsContact C-N 3.3Å; S390-N392 PolarHBondContact OG-N 2.87Å; S390-D393 WeakPolarHBondContact CB-OD2 3.31Å; S390-D393 PolarHBondContact OG-N 2.87Å; S390-D393 PolarHBondContact OG-OD2 3.32Å; S390-F394 WeakPolarHBondContact O-CB 3.46Å; S390-F394 PolarHBondContact O-N 3.44Å; S390-F394 VanDerWaalsContact O-N 3.07Å; S390-R435 PolarHBondContact O-NE 3.06Å
391	G	95.9	Very high	94.1	Very high	33 Å²	33	56.8 Å²	56.8	34%	0.34	32%	0.318	S	S	.	.	H	α-helix	trans	-66.5	-32.5	174.2	0	0	0	0	0	113	D395	G391-D395 PolarHBondContact O-N 3.03Å; G391-D395 VanDerWaalsContact O-N 3.09Å
392	N	96.3	Very high	94.4	Very high	135 Å²	135	49.2 Å²	49.2	72%	0.722	28%	0.278	S	S	*	.	H	α-helix	trans	-72.2	-41.1	179	-64.2	-13.2	0	0	0	111	S390 D395 F396	S390-N392 VanDerWaalsContact C-N 3.3Å; S390-N392 PolarHBondContact OG-N 2.87Å; N392-D395 PolarHBondContact O-N 3.06Å; N392-F396 WeakPolarHBondContact O-CB 3.42Å; N392-F396 PolarHBondContact O-N 2.81Å
393	D	97	Very high	94.3	Very high	62 Å²	62	50 Å²	50	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-72.1	-35.2	-179.9	-54.4	-58.7	0	0	0	111	V382 V389 S390 F396 S397	V382-D393 HydrophobicContact CB-CB 4.09Å; V382-D393 HydrophobicContact CG1-CB 4.3Å; V389-D393 HydrophobicContact CG1-CB 3.88Å; S390-D393 WeakPolarHBondContact CB-OD2 3.31Å; S390-D393 PolarHBondContact OG-N 2.87Å; S390-D393 PolarHBondContact OG-OD2 3.32Å; D393-F396 PolarHBondContact O-N 2.88Å; D393-S397 VanDerWaalsContact O-CB 3.31Å; D393-S397 WeakPolarHBondContact O-CB 3.32Å; D393-S397 PolarHBondContact O-N 3.14Å; D393-S397 PolarHBondContact O-OG 3.44Å; D393-S397 VanDerWaalsContact O-OG 3.12Å
394	F	97	Very high	94.2	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-57.3	-53.2	167.7	-179.3	-83.5	0	0	0	111.7	S390 F396 S397 V398 K420 Y423 R435 L439	S390-F394 WeakPolarHBondContact O-CB 3.46Å; S390-F394 PolarHBondContact O-N 3.44Å; S390-F394 VanDerWaalsContact O-N 3.07Å; F394-F396 VanDerWaalsContact C-N 3.3Å; F394-F396 PolarHBondContact O-N 3.23Å; F394-S397 PolarHBondContact O-N 3.3Å; F394-V398 HydrophobicContact CD1-CG2 4.24Å; F394-V398 HydrophobicContact CE1-CG2 3.91Å; F394-V398 HydrophobicContact CZ-CG2 4.07Å; F394-V398 VanDerWaalsContact O-CG2 3.31Å; F394-V398 WeakPolarHBondContact O-CG2 3.45Å; F394-V398 PolarHBondContact O-N 2.85Å; F394-K420 HydrophobicContact CE1-CB 4.42Å; F394-K420 HydrophobicContact CE1-CG 4.38Å; F394-Y423 WeakPolarHBondContact CZ-O 3.49Å; F394-R435 HydrophobicContact CD2-CB 4.04Å; F394-R435 HydrophobicContact CD2-CG 4.23Å; F394-L439 HydrophobicContact CB-CD1 4.34Å; F394-L439 HydrophobicContact CD2-CD1 3.87Å; F394-L439 HydrophobicContact CD2-CD2 3.6Å; F394-L439 HydrophobicContact CD2-CG 3.51Å; F394-L439 HydrophobicContact CE2-CD2 3.82Å; F394-L439 HydrophobicContact CE2-CG 3.87Å; F394-L439 HydrophobicContact CG-CD1 4.5Å; F394-L439 HydrophobicContact CG-CD2 4.23Å; F394-L439 HydrophobicContact CG-CG 4.43Å
395	D	95.4	Very high	94	Very high	67 Å²	67	48.1 Å²	48.1	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-37.8	179.4	-96.1	9	0	0	0	112.2	G391 N392 S399 K420	G391-D395 PolarHBondContact O-N 3.03Å; G391-D395 VanDerWaalsContact O-N 3.09Å; N392-D395 PolarHBondContact O-N 3.06Å; D395-S399 WeakPolarHBondContact O-CB 3.4Å; D395-S399 PolarHBondContact O-N 2.98Å; D395-S399 PolarHBondContact O-OG 3.38Å; D395-K420 VanDerWaalsContact OD1-CD 3.22Å; D395-K420 WeakPolarHBondContact OD1-CD 3.24Å; D395-K420 WeakPolarHBondContact OD1-CE 3.36Å; D395-K420 IonicContact OD1-NZ 3.2Å; D395-K420 PolarHBondContact OD1-NZ 3.21Å; D395-K420 IonicContact OD2-NZ 2.66Å; D395-K420 PolarHBondContact OD2-NZ 3.17Å
396	F	95.6	Very high	93.6	Very high	127 Å²	127	44.2 Å²	44.2	56%	0.557	24%	0.238	S	C	*	.	H	α-helix	trans	-65.5	-53.2	175	178.9	-98.7	0	0	0	111.7	N392 D393 F394 V398 S399 D400	N392-F396 WeakPolarHBondContact O-CB 3.42Å; N392-F396 PolarHBondContact O-N 2.81Å; D393-F396 PolarHBondContact O-N 2.88Å; F394-F396 VanDerWaalsContact C-N 3.3Å; F394-F396 PolarHBondContact O-N 3.23Å; F396-V398 VanDerWaalsContact C-N 3.33Å; F396-V398 PolarHBondContact O-N 2.57Å; F396-S399 WeakPolarHBondContact O-CA 3.25Å; F396-S399 WeakPolarHBondContact O-CB 3.38Å; F396-S399 PolarHBondContact O-N 3.33Å; F396-D400 HydrophobicContact CE1-CB 4.34Å; F396-D400 HydrophobicContact CZ-CB 4.42Å; F396-D400 VanDerWaalsContact O-CB 3.28Å; F396-D400 WeakPolarHBondContact O-CB 3.33Å; F396-D400 PolarHBondContact O-N 3.17Å
397	S	96	Very high	92.9	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-39.7	179.9	-69.6	0	0	0	0	112.6	D393 F394 F401	D393-S397 VanDerWaalsContact O-CB 3.31Å; D393-S397 WeakPolarHBondContact O-CB 3.32Å; D393-S397 PolarHBondContact O-N 3.14Å; D393-S397 PolarHBondContact O-OG 3.44Å; D393-S397 VanDerWaalsContact O-OG 3.12Å; F394-S397 PolarHBondContact O-N 3.3Å; S397-F401 WeakPolarHBondContact O-CB 3.41Å; S397-F401 PolarHBondContact O-N 3.12Å
398	V	95.5	Very high	91.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-39.1	173.8	178	0	0	0	0	111.2	F394 F396 V402 R416 I419 K420 L439 L442	F394-V398 HydrophobicContact CD1-CG2 4.24Å; F394-V398 HydrophobicContact CE1-CG2 3.91Å; F394-V398 HydrophobicContact CZ-CG2 4.07Å; F394-V398 VanDerWaalsContact O-CG2 3.31Å; F394-V398 WeakPolarHBondContact O-CG2 3.45Å; F394-V398 PolarHBondContact O-N 2.85Å; F396-V398 VanDerWaalsContact C-N 3.33Å; F396-V398 PolarHBondContact O-N 2.57Å; V398-V402 WeakPolarHBondContact O-CG2 3.41Å; V398-V402 PolarHBondContact O-N 3.12Å; V398-R416 HydrophobicContact CG1-CG 4.41Å; V398-I419 HydrophobicContact CG1-CB 4.16Å; V398-I419 HydrophobicContact CG1-CG2 3.68Å; V398-K420 HydrophobicContact CB-CG 4.12Å; V398-K420 HydrophobicContact CG1-CG 3.7Å; V398-K420 HydrophobicContact CG2-CG 4.43Å; V398-L439 HydrophobicContact CG2-CD2 3.92Å; V398-L442 HydrophobicContact CG1-CD1 4.48Å; V398-L442 HydrophobicContact CG2-CD1 3.76Å
399	S	92.9	Very high	89.9	Confident	30 Å²	30	45 Å²	45	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-55.8	176.9	-57.2	0	0	0	0	111.4	D395 F396 F401 V402 D403 R416	D395-S399 WeakPolarHBondContact O-CB 3.4Å; D395-S399 PolarHBondContact O-N 2.98Å; D395-S399 PolarHBondContact O-OG 3.38Å; F396-S399 WeakPolarHBondContact O-CA 3.25Å; F396-S399 WeakPolarHBondContact O-CB 3.38Å; F396-S399 PolarHBondContact O-N 3.33Å; S399-F401 VanDerWaalsContact C-N 3.3Å; S399-F401 PolarHBondContact O-N 3.1Å; S399-V402 PolarHBondContact O-N 2.96Å; S399-V402 VanDerWaalsContact O-N 3.12Å; S399-D403 VanDerWaalsContact O-CB 3.3Å; S399-D403 WeakPolarHBondContact O-CB 3.38Å; S399-D403 PolarHBondContact O-N 3.47Å; S399-R416 WeakPolarHBondContact OG-CD 3.41Å
400	D	92.4	Very high	88	Confident	31 Å²	31	50.6 Å²	50.6	17%	0.166	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-36.8	179.8	166.6	67.4	0	0	0	113	R334 F396 S404	R334-D400 IonicContact CZ-OD1 2.69Å; R334-D400 IonicContact CZ-OD2 2.78Å; R334-D400 IonicContact NH1-OD1 3.84Å; R334-D400 PolarHBondContact NH1-OD1 2.94Å; R334-D400 IonicContact NH1-OD2 3.68Å; R334-D400 PolarHBondContact NH1-OD2 2.88Å; R334-D400 IonicContact NH2-OD2 3.71Å; R334-D400 PolarHBondContact NH2-OD2 3.2Å; F396-D400 HydrophobicContact CE1-CB 4.34Å; F396-D400 HydrophobicContact CZ-CB 4.42Å; F396-D400 VanDerWaalsContact O-CB 3.28Å; F396-D400 WeakPolarHBondContact O-CB 3.33Å; F396-D400 PolarHBondContact O-N 3.17Å; D400-S404 VanDerWaalsContact O-CB 3.29Å; D400-S404 WeakPolarHBondContact O-CB 3.46Å; D400-S404 PolarHBondContact O-N 3.41Å; D400-S404 PolarHBondContact O-OG 3.08Å
401	F	93.8	Very high	86.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-53	170.4	173.7	-92.2	0	0	0	112.4	Y335 F378 S397 S399 D403 S404 L405 L442 F443 H446 W589	Y335-F401 HydrophobicContact CE2-CD2 4.32Å; F378-F401 HydrophobicContact CE2-CB 4.46Å; F378-F401 HydrophobicContact CZ-CB 4.22Å; F378-F401 HydrophobicContact CZ-CD2 4.5Å; S397-F401 WeakPolarHBondContact O-CB 3.41Å; S397-F401 PolarHBondContact O-N 3.12Å; S399-F401 VanDerWaalsContact C-N 3.3Å; S399-F401 PolarHBondContact O-N 3.1Å; F401-D403 PolarHBondContact O-N 2.82Å; F401-S404 PolarHBondContact O-N 3.18Å; F401-L405 HydrophobicContact CD1-CD1 4.36Å; F401-L405 HydrophobicContact CD2-CD1 3.82Å; F401-L405 HydrophobicContact CE1-CD1 3.89Å; F401-L405 HydrophobicContact CE2-CD1 3.29Å; F401-L405 HydrophobicContact CG-CD1 4.32Å; F401-L405 HydrophobicContact CZ-CD1 3.33Å; F401-L405 PolarHBondContact O-N 2.78Å; F401-L442 HydrophobicContact CD1-CD2 3.81Å; F401-L442 HydrophobicContact CD2-CD2 3.95Å; F401-L442 HydrophobicContact CE1-CD2 3.77Å; F401-L442 HydrophobicContact CE2-CD2 3.88Å; F401-L442 HydrophobicContact CG-CD2 3.9Å; F401-L442 HydrophobicContact CZ-CD2 3.8Å; F401-F443 AromaticContact CD2-CD2 3.71Å; F401-F443 HydrophobicContact CD2-CD2 3.71Å; F401-F443 HydrophobicContact CD2-CE2 4.03Å; F401-F443 AromaticContact CE2-CD2 3.61Å; F401-F443 HydrophobicContact CE2-CD2 3.61Å; F401-F443 AromaticContact CE2-CE2 3.95Å; F401-F443 HydrophobicContact CE2-CE2 3.95Å; F401-H446 HydrophobicContact CE2-CB 4.43Å; F401-H446 HydrophobicContact CZ-CB 3.76Å; F401-H446 AromaticContact CZ-CG 3.62Å; F401-H446 AromaticContact CZ-ND1 3.87Å; F401-W589 AromaticContact CE1-CH2 3.79Å; F401-W589 HydrophobicContact CE1-CH2 3.79Å; F401-W589 HydrophobicContact CE1-CZ2 4.44Å; F401-W589 HydrophobicContact CE1-CZ3 4.46Å; F401-W589 HydrophobicContact CZ-CH2 4.34Å
402	V	91.9	Very high	85.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-43	179.6	172.9	0	0	0	0	111.3	V398 S399 S404 Y406 K412 L415 I419	V398-V402 WeakPolarHBondContact O-CG2 3.41Å; V398-V402 PolarHBondContact O-N 3.12Å; S399-V402 PolarHBondContact O-N 2.96Å; S399-V402 VanDerWaalsContact O-N 3.12Å; V402-S404 VanDerWaalsContact C-N 3.27Å; V402-S404 PolarHBondContact O-N 2.92Å; V402-Y406 HydrophobicContact CG1-CD2 4.3Å; V402-Y406 PolarHBondContact O-N 2.84Å; V402-K412 HydrophobicContact CG1-CG 4.11Å; V402-L415 HydrophobicContact CG1-CD2 4.32Å; V402-I419 HydrophobicContact CG2-CD1 3.4Å; V402-I419 VanDerWaalsContact CG2-CD1 3.4Å
403	D	89.8	Confident	84.4	Confident	49 Å²	49	47.3 Å²	47.3	26%	0.262	25%	0.25	S	C	.	.	H	α-helix	trans	-59.9	-35	177.1	-84.4	57.9	0	0	0	112.7	S399 F401 Y408 K412 R416	S399-D403 VanDerWaalsContact O-CB 3.3Å; S399-D403 WeakPolarHBondContact O-CB 3.38Å; S399-D403 PolarHBondContact O-N 3.47Å; F401-D403 PolarHBondContact O-N 2.82Å; D403-Y408 WeakPolarHBondContact OD2-CE2 3.31Å; D403-K412 VanDerWaalsContact CG-CE 3.42Å; D403-K412 WeakPolarHBondContact OD1-CE 3.32Å; D403-K412 IonicContact OD1-NZ 3.73Å; D403-K412 PolarHBondContact OD1-NZ 3.08Å; D403-K412 VanDerWaalsContact OD1-NZ 3.1Å; D403-K412 IonicContact OD2-NZ 3.88Å; D403-K412 PolarHBondContact OD2-NZ 3.17Å; D403-R416 IonicContact OD1-CZ 2.76Å; D403-R416 IonicContact OD1-NE 2.67Å; D403-R416 IonicContact OD1-NH2 2.69Å; D403-R416 PolarHBondContact OD1-NH2 3.27Å
404	S	90.5	Very high	83.9	Confident	31 Å²	31	47.9 Å²	47.9	22%	0.217	26%	0.256	C	S	.	.	H	α-helix	trans	-80.5	-34.7	-179.1	-63	0	0	0	0	114.6	D400 F401 V402	D400-S404 VanDerWaalsContact O-CB 3.29Å; D400-S404 WeakPolarHBondContact O-CB 3.46Å; D400-S404 PolarHBondContact O-N 3.41Å; D400-S404 PolarHBondContact O-OG 3.08Å; F401-S404 PolarHBondContact O-N 3.18Å; V402-S404 VanDerWaalsContact C-N 3.27Å; V402-S404 PolarHBondContact O-N 2.92Å
405	L	88.4	Confident	83.6	Confident	31 Å²	31	47.7 Å²	47.7	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-95.5	-45.6	-174.7	-74.8	164.3	0	0	0	113	Y335 F401	Y335-L405 HydrophobicContact CD2-CD1 4.26Å; Y335-L405 HydrophobicContact CD2-CD2 4.2Å; Y335-L405 HydrophobicContact CD2-CG 3.87Å; Y335-L405 HydrophobicContact CG-CD2 4.44Å; F401-L405 HydrophobicContact CD1-CD1 4.36Å; F401-L405 HydrophobicContact CD2-CD1 3.82Å; F401-L405 HydrophobicContact CE1-CD1 3.89Å; F401-L405 HydrophobicContact CE2-CD1 3.29Å; F401-L405 HydrophobicContact CG-CD1 4.32Å; F401-L405 HydrophobicContact CZ-CD1 3.33Å; F401-L405 PolarHBondContact O-N 2.78Å
406	Y	84.6	Confident	83.4	Confident	44 Å²	44	45.8 Å²	45.8	17%	0.173	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-5.6	-175.3	-60.5	-83	0	0	0	112.9	V402 P409 L415 H446 V593 Y597	V402-Y406 HydrophobicContact CG1-CD2 4.3Å; V402-Y406 PolarHBondContact O-N 2.84Å; Y406-P409 WeakPolarHBondContact O-CD 3.2Å; Y406-L415 HydrophobicContact CD1-CD2 4.15Å; Y406-L415 HydrophobicContact CD2-CD2 4.02Å; Y406-L415 HydrophobicContact CE2-CD2 4.38Å; Y406-L415 HydrophobicContact CG-CD2 3.88Å; Y406-H446 AromaticContact CZ-NE2 3.83Å; Y406-H446 PolarHBondContact OH-NE2 3.47Å; Y406-V593 HydrophobicContact CE1-CG1 3.88Å; Y406-V593 WeakPolarHBondContact OH-CG1 3.32Å; Y406-Y597 AromaticContact CD1-CD2 3.91Å; Y406-Y597 HydrophobicContact CD1-CD2 3.91Å; Y406-Y597 HydrophobicContact CD1-CE2 4.13Å
407	G	76.8	Confident	83.2	Confident	32 Å²	32	44.4 Å²	44.4	33%	0.33	24%	0.238	S	C	.	.			trans	72	-129.5	176.6	0	0	0	0	0	112.8	K412	G407-K412 WeakPolarHBondContact O-CE 3.45Å; G407-K412 PolarHBondContact O-NZ 3.49Å
408	Y	65.2	Low	83.2	Confident	193 Å²	193	45.8 Å²	45.8	76%	0.757	25%	0.246	S	C	*	.	S	Bend	trans	-131	72.5	178.3	-105.5	-82.7	0	0	0	111.5	D403 K412	D403-Y408 WeakPolarHBondContact OD2-CE2 3.31Å; Y408-K412 HydrophobicContact CD1-CD 3.95Å; Y408-K412 HydrophobicContact CE1-CD 4.1Å; Y408-K412 HydrophobicContact CG-CD 4.3Å
409	P	59.2	Low	83.1	Confident	28 Å²	28	45.8 Å²	45.8	18%	0.182	25%	0.246	C	C	.	.			trans	-79.9	151.3	172.8	34.4	-33.9	0	0	0	110.5	Y406 G411 K412 Y597	Y406-P409 WeakPolarHBondContact O-CD 3.2Å; P409-G411 PolarHBondContact O-N 3.27Å; P409-K412 HydrophobicContact CG-CB 4.13Å; P409-K412 WeakPolarHBondContact O-CB 3.3Å; P409-K412 PolarHBondContact O-N 3.12Å; P409-Y597 HydrophobicContact CB-CD2 4.37Å; P409-Y597 HydrophobicContact CB-CE2 3.95Å; P409-Y597 HydrophobicContact CG-CD2 4.16Å; P409-Y597 HydrophobicContact CG-CE2 3.88Å
410	D	56	Low	83.3	Confident	118 Å²	118	45.3 Å²	45.3	63%	0.631	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	131.8	160.6	-76.5	-59.1	0	0	0	108.8	H600	D410-H600 HydrophobicContact CB-CB 4.32Å; D410-H600 WeakPolarHBondContact O-CB 3.36Å; D410-H600 PolarHBondContact O-CD2 2.75Å
411	G	62.2	Low	83.5	Confident	22 Å²	22	49.3 Å²	49.3	23%	0.227	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-3	-174.1	0	0	0	0	0	116.3	P409 D413 T414 L415 H600	P409-G411 PolarHBondContact O-N 3.27Å; G411-D413 PolarHBondContact O-N 2.86Å; G411-T414 VanDerWaalsContact O-CB 3.29Å; G411-T414 WeakPolarHBondContact O-CB 3.17Å; G411-T414 PolarHBondContact O-N 2.83Å; G411-L415 PolarHBondContact O-N 2.78Å; G411-H600 VanDerWaalsContact CA-NE2 3.28Å; G411-H600 WeakPolarHBondContact CA-NE2 3.42Å
412	K	70.9	Confident	83.7	Confident	7 Å²	7	50.7 Å²	50.7	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-46.5	-38.4	178.8	-169.3	-179.3	-167.4	175.7	0	115.2	V402 D403 G407 Y408 P409 L415 R416	V402-K412 HydrophobicContact CG1-CG 4.11Å; D403-K412 VanDerWaalsContact CG-CE 3.42Å; D403-K412 WeakPolarHBondContact OD1-CE 3.32Å; D403-K412 IonicContact OD1-NZ 3.73Å; D403-K412 PolarHBondContact OD1-NZ 3.08Å; D403-K412 VanDerWaalsContact OD1-NZ 3.1Å; D403-K412 IonicContact OD2-NZ 3.88Å; D403-K412 PolarHBondContact OD2-NZ 3.17Å; G407-K412 WeakPolarHBondContact O-CE 3.45Å; G407-K412 PolarHBondContact O-NZ 3.49Å; Y408-K412 HydrophobicContact CD1-CD 3.95Å; Y408-K412 HydrophobicContact CE1-CD 4.1Å; Y408-K412 HydrophobicContact CG-CD 4.3Å; P409-K412 HydrophobicContact CG-CB 4.13Å; P409-K412 WeakPolarHBondContact O-CB 3.3Å; P409-K412 PolarHBondContact O-N 3.12Å; K412-L415 PolarHBondContact O-N 3.24Å; K412-R416 WeakPolarHBondContact O-CB 3.31Å; K412-R416 PolarHBondContact O-N 3.29Å
413	D	81.1	Confident	83.9	Confident	108 Å²	108	50.8 Å²	50.8	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-66.9	-37.7	-179.1	-60.9	-21	0	0	0	111.6	G411 R416 E417	G411-D413 PolarHBondContact O-N 2.86Å; D413-R416 PolarHBondContact O-N 3.46Å; D413-R416 IonicContact OD1-CZ 3.23Å; D413-R416 IonicContact OD1-NH1 3.83Å; D413-R416 PolarHBondContact OD1-NH1 3.27Å; D413-E417 WeakPolarHBondContact O-CB 3.49Å; D413-E417 WeakPolarHBondContact O-CG 3.34Å; D413-E417 PolarHBondContact O-N 2.61Å
414	T	87.6	Confident	84.3	Confident	74 Å²	74	49.7 Å²	49.7	45%	0.454	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-46	172.6	-49.9	0	0	0	0	111	G411 T418 L596	G411-T414 VanDerWaalsContact O-CB 3.29Å; G411-T414 WeakPolarHBondContact O-CB 3.17Å; G411-T414 PolarHBondContact O-N 2.83Å; T414-T418 VanDerWaalsContact O-CB 3.31Å; T414-T418 WeakPolarHBondContact O-CB 3.1Å; T414-T418 PolarHBondContact O-N 2.72Å; T414-T418 PolarHBondContact O-OG1 3.18Å; T414-L596 HydrophobicContact CG2-CD2 4.21Å
415	L	89.1	Confident	84.5	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-49.4	178.2	176.2	57.8	0	0	0	111.1	V402 Y406 G411 K412 T418 I419 V593 L596	V402-L415 HydrophobicContact CG1-CD2 4.32Å; Y406-L415 HydrophobicContact CD1-CD2 4.15Å; Y406-L415 HydrophobicContact CD2-CD2 4.02Å; Y406-L415 HydrophobicContact CE2-CD2 4.38Å; Y406-L415 HydrophobicContact CG-CD2 3.88Å; G411-L415 PolarHBondContact O-N 2.78Å; K412-L415 PolarHBondContact O-N 3.24Å; L415-T418 PolarHBondContact O-N 2.76Å; L415-I419 HydrophobicContact CD1-CD1 3.74Å; L415-I419 HydrophobicContact CD1-CG1 4.17Å; L415-I419 HydrophobicContact CG-CD1 3.86Å; L415-I419 WeakPolarHBondContact O-CG1 3.34Å; L415-I419 PolarHBondContact O-N 2.9Å; L415-V593 HydrophobicContact CD1-CB 4.18Å; L415-V593 HydrophobicContact CD1-CG1 3.69Å; L415-V593 HydrophobicContact CD1-CG2 3.77Å; L415-V593 HydrophobicContact CD2-CG1 4.46Å; L415-L596 HydrophobicContact CD1-CB 4.49Å; L415-L596 HydrophobicContact CD1-CD1 4.37Å
416	R	90.9	Very high	84.8	Confident	26 Å²	26	52 Å²	52	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-49.9	-179.1	-171	-169.6	-66.3	111.5	-7.1	112.4	V398 S399 D403 K412 D413 T418 I419 K420	V398-R416 HydrophobicContact CG1-CG 4.41Å; S399-R416 WeakPolarHBondContact OG-CD 3.41Å; D403-R416 IonicContact OD1-CZ 2.76Å; D403-R416 IonicContact OD1-NE 2.67Å; D403-R416 IonicContact OD1-NH2 2.69Å; D403-R416 PolarHBondContact OD1-NH2 3.27Å; K412-R416 WeakPolarHBondContact O-CB 3.31Å; K412-R416 PolarHBondContact O-N 3.29Å; D413-R416 PolarHBondContact O-N 3.46Å; D413-R416 IonicContact OD1-CZ 3.23Å; D413-R416 IonicContact OD1-NH1 3.83Å; D413-R416 PolarHBondContact OD1-NH1 3.27Å; R416-T418 VanDerWaalsContact C-N 3.3Å; R416-T418 PolarHBondContact O-N 3.21Å; R416-I419 PolarHBondContact O-N 2.91Å; R416-K420 WeakPolarHBondContact O-CG 3.39Å; R416-K420 PolarHBondContact O-N 2.96Å
417	E	93.3	Very high	85.3	Confident	99 Å²	99	53 Å²	53	46%	0.463	28%	0.278	S	S	.	.	H	α-helix	trans	-68.8	-29.8	179.5	-63.4	-56	125.4	0	0	111.9	D413 K420 F421	D413-E417 WeakPolarHBondContact O-CB 3.49Å; D413-E417 WeakPolarHBondContact O-CG 3.34Å; D413-E417 PolarHBondContact O-N 2.61Å; E417-K420 WeakPolarHBondContact OE1-CD 3.33Å; E417-K420 VanDerWaalsContact OE1-CE 3.24Å; E417-K420 WeakPolarHBondContact OE1-CE 3.5Å; E417-K420 IonicContact OE1-NZ 3.79Å; E417-K420 PolarHBondContact OE1-NZ 3.48Å; E417-K420 IonicContact OE2-NZ 2.96Å; E417-F421 VanDerWaalsContact O-CB 3.29Å; E417-F421 WeakPolarHBondContact O-CB 3.48Å; E417-F421 PolarHBondContact O-N 3.21Å
418	T	94.5	Very high	86.1	Confident	34 Å²	34	54.4 Å²	54.4	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-41.5	170.7	-53.6	0	0	0	0	111.7	T414 L415 R416 F421 M422 F588 L592 L596	T414-T418 VanDerWaalsContact O-CB 3.31Å; T414-T418 WeakPolarHBondContact O-CB 3.1Å; T414-T418 PolarHBondContact O-N 2.72Å; T414-T418 PolarHBondContact O-OG1 3.18Å; L415-T418 PolarHBondContact O-N 2.76Å; R416-T418 VanDerWaalsContact C-N 3.3Å; R416-T418 PolarHBondContact O-N 3.21Å; T418-F421 PolarHBondContact O-N 3.19Å; T418-M422 HydrophobicContact CG2-CG 4.34Å; T418-M422 WeakPolarHBondContact O-CB 3.46Å; T418-M422 VanDerWaalsContact O-CG 3.28Å; T418-M422 WeakPolarHBondContact O-CG 3.33Å; T418-M422 PolarHBondContact O-N 3.49Å; T418-F588 HydrophobicContact CG2-CE2 3.83Å; T418-F588 HydrophobicContact CG2-CZ 4.41Å; T418-L592 HydrophobicContact CG2-CD2 4.32Å; T418-L596 HydrophobicContact CG2-CD1 3.95Å
419	I	95.1	Very high	87.4	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-47.7	175.5	-67.5	162.5	0	0	0	110.2	V398 V402 L415 R416 F421 M422 Y423 L442 F588 W589	V398-I419 HydrophobicContact CG1-CB 4.16Å; V398-I419 HydrophobicContact CG1-CG2 3.68Å; V402-I419 HydrophobicContact CG2-CD1 3.4Å; V402-I419 VanDerWaalsContact CG2-CD1 3.4Å; L415-I419 HydrophobicContact CD1-CD1 3.74Å; L415-I419 HydrophobicContact CD1-CG1 4.17Å; L415-I419 HydrophobicContact CG-CD1 3.86Å; L415-I419 WeakPolarHBondContact O-CG1 3.34Å; L415-I419 PolarHBondContact O-N 2.9Å; R416-I419 PolarHBondContact O-N 2.91Å; I419-F421 VanDerWaalsContact C-N 3.31Å; I419-F421 PolarHBondContact O-N 3.11Å; I419-M422 PolarHBondContact O-N 2.56Å; I419-M422 VanDerWaalsContact O-N 3.15Å; I419-Y423 HydrophobicContact CG2-CD2 3.99Å; I419-Y423 HydrophobicContact CG2-CE2 4.45Å; I419-Y423 WeakPolarHBondContact O-CD2 3.37Å; I419-Y423 PolarHBondContact O-N 3.26Å; I419-L442 HydrophobicContact CG2-CD1 3.62Å; I419-L442 HydrophobicContact CG2-CG 4.33Å; I419-F588 HydrophobicContact CG1-CE1 4.02Å; I419-F588 HydrophobicContact CG1-CZ 3.69Å; I419-W589 HydrophobicContact CD1-CH2 3.77Å; I419-W589 HydrophobicContact CD1-CZ3 3.8Å; I419-W589 HydrophobicContact CG1-CH2 3.83Å; I419-W589 HydrophobicContact CG1-CZ3 4.01Å; I419-W589 HydrophobicContact CG2-CH2 4.06Å
420	K	96.1	Very high	89	Confident	21 Å²	21	56 Å²	56	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-54.6	-46.6	173.3	-70.7	178.8	179.9	-177.3	0	112	F394 D395 V398 R416 E417 M422 Y423 T424	F394-K420 HydrophobicContact CE1-CB 4.42Å; F394-K420 HydrophobicContact CE1-CG 4.38Å; D395-K420 VanDerWaalsContact OD1-CD 3.22Å; D395-K420 WeakPolarHBondContact OD1-CD 3.24Å; D395-K420 WeakPolarHBondContact OD1-CE 3.36Å; D395-K420 IonicContact OD1-NZ 3.2Å; D395-K420 PolarHBondContact OD1-NZ 3.21Å; D395-K420 IonicContact OD2-NZ 2.66Å; D395-K420 PolarHBondContact OD2-NZ 3.17Å; V398-K420 HydrophobicContact CB-CG 4.12Å; V398-K420 HydrophobicContact CG1-CG 3.7Å; V398-K420 HydrophobicContact CG2-CG 4.43Å; R416-K420 WeakPolarHBondContact O-CG 3.39Å; R416-K420 PolarHBondContact O-N 2.96Å; E417-K420 WeakPolarHBondContact OE1-CD 3.33Å; E417-K420 VanDerWaalsContact OE1-CE 3.24Å; E417-K420 WeakPolarHBondContact OE1-CE 3.5Å; E417-K420 IonicContact OE1-NZ 3.79Å; E417-K420 PolarHBondContact OE1-NZ 3.48Å; E417-K420 IonicContact OE2-NZ 2.96Å; K420-M422 VanDerWaalsContact C-N 3.35Å; K420-M422 PolarHBondContact O-N 2.02Å; K420-Y423 CarbonylContact O-C 3.58Å; K420-Y423 PolarHBondContact O-N 2.83Å; K420-T424 WeakPolarHBondContact O-CB 3.5Å; K420-T424 PolarHBondContact O-N 2.87Å; K420-T424 PolarHBondContact O-OG1 2.87Å
421	F	96.7	Very high	90.9	Very high	115 Å²	115	52.9 Å²	52.9	50%	0.504	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-43.5	177.3	174.2	-90.1	0	0	0	112.1	E417 T418 I419 Y423 W426	E417-F421 VanDerWaalsContact O-CB 3.29Å; E417-F421 WeakPolarHBondContact O-CB 3.48Å; E417-F421 PolarHBondContact O-N 3.21Å; T418-F421 PolarHBondContact O-N 3.19Å; I419-F421 VanDerWaalsContact C-N 3.31Å; I419-F421 PolarHBondContact O-N 3.11Å; F421-Y423 PolarHBondContact O-N 3.34Å; F421-W426 HydrophobicContact CB-CZ2 4.46Å; F421-W426 AromaticContact CD2-CE2 3.71Å; F421-W426 AromaticContact CD2-CZ2 3.5Å; F421-W426 HydrophobicContact CD2-CZ2 3.5Å; F421-W426 AromaticContact CD2-NE1 3.65Å; F421-W426 AromaticContact CE2-CE2 3.9Å; F421-W426 HydrophobicContact CE2-CZ2 4.07Å; F421-W426 AromaticContact CE2-NE1 3.72Å; F421-W426 HydrophobicContact CG-CZ2 4.29Å; F421-W426 PolarHBondContact O-NE1 2.93Å
422	M	97.1	Very high	92.5	Very high	28 Å²	28	54.2 Å²	54.2	14%	0.138	28%	0.276	C	S	.	.	H	α-helix	trans	-72.7	-24.2	-179.5	-71.9	-64.2	-78	0	0	113.6	T418 I419 K420 K585 F588	T418-M422 HydrophobicContact CG2-CG 4.34Å; T418-M422 WeakPolarHBondContact O-CB 3.46Å; T418-M422 VanDerWaalsContact O-CG 3.28Å; T418-M422 WeakPolarHBondContact O-CG 3.33Å; T418-M422 PolarHBondContact O-N 3.49Å; I419-M422 PolarHBondContact O-N 2.56Å; I419-M422 VanDerWaalsContact O-N 3.15Å; K420-M422 VanDerWaalsContact C-N 3.35Å; K420-M422 PolarHBondContact O-N 2.02Å; M422-K585 PolarHBondContact O-NZ 3Å; M422-F588 HydrophobicContact CB-CE1 4.44Å; M422-F588 HydrophobicContact CB-CE2 4.43Å; M422-F588 HydrophobicContact CB-CZ 4.33Å; M422-F588 HydrophobicContact CE-CB 3.9Å; M422-F588 HydrophobicContact CE-CD2 3.89Å; M422-F588 HydrophobicContact CE-CG 3.92Å; M422-F588 HydrophobicContact CG-CD2 3.86Å; M422-F588 HydrophobicContact CG-CE2 3.75Å; M422-F588 HydrophobicContact CG-CG 4.35Å; M422-F588 HydrophobicContact CG-CZ 4.13Å
423	Y	97.4	Very high	93.7	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.012	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	13.2	177.8	-70.4	-82.8	0	0	0	114.1	F394 I419 K420 F421 T438 A441 L442 D445 K585 F588 W589	F394-Y423 WeakPolarHBondContact CZ-O 3.49Å; I419-Y423 HydrophobicContact CG2-CD2 3.99Å; I419-Y423 HydrophobicContact CG2-CE2 4.45Å; I419-Y423 WeakPolarHBondContact O-CD2 3.37Å; I419-Y423 PolarHBondContact O-N 3.26Å; K420-Y423 CarbonylContact O-C 3.58Å; K420-Y423 PolarHBondContact O-N 2.83Å; F421-Y423 PolarHBondContact O-N 3.34Å; Y423-T438 WeakPolarHBondContact CD1-O 3.26Å; Y423-T438 WeakPolarHBondContact O-CB 3.43Å; Y423-T438 WeakPolarHBondContact O-CG2 3.24Å; Y423-T438 PolarHBondContact O-OG1 3.28Å; Y423-A441 HydrophobicContact CE1-CB 4.49Å; Y423-L442 HydrophobicContact CD1-CB 3.75Å; Y423-L442 HydrophobicContact CD2-CB 4.16Å; Y423-L442 HydrophobicContact CD2-CD1 3.94Å; Y423-L442 HydrophobicContact CD2-CG 4.02Å; Y423-L442 VanDerWaalsContact CE1-CA 3.49Å; Y423-L442 HydrophobicContact CE1-CB 3.93Å; Y423-L442 HydrophobicContact CE2-CB 4.32Å; Y423-L442 HydrophobicContact CE2-CG 4.15Å; Y423-L442 HydrophobicContact CG-CB 3.89Å; Y423-L442 HydrophobicContact CG-CD1 4.07Å; Y423-L442 HydrophobicContact CG-CG 4.21Å; Y423-D445 WeakPolarHBondContact CE1-OD2 3.42Å; Y423-D445 WeakPolarHBondContact OH-CB 3.29Å; Y423-D445 PolarHBondContact OH-OD2 2.92Å; Y423-K585 HydrophobicContact CE1-CD 4.01Å; Y423-F588 HydrophobicContact CE2-CD1 4.32Å; Y423-F588 HydrophobicContact CE2-CE1 4.12Å; Y423-W589 AromaticContact CE2-CZ2 3.71Å; Y423-W589 HydrophobicContact CE2-CZ2 3.71Å; Y423-W589 AromaticContact CZ-NE1 3.96Å; Y423-W589 PolarHBondContact OH-NE1 2.86Å
424	T	97	Very high	94.4	Very high	26 Å²	26	52 Å²	52	16%	0.16	26%	0.263	C	S	.	.	S	Bend	trans	-90.9	127.7	165.1	-62.6	0	0	0	0	109.8	K420 W426 R429	K420-T424 WeakPolarHBondContact O-CB 3.5Å; K420-T424 PolarHBondContact O-N 2.87Å; K420-T424 PolarHBondContact O-OG1 2.87Å; T424-W426 HydrophobicContact CG2-CD2 3.8Å; T424-W426 HydrophobicContact CG2-CE3 4.09Å; T424-W426 HydrophobicContact CG2-CG 4.28Å; T424-W426 HydrophobicContact CG2-CH2 4.19Å; T424-W426 HydrophobicContact CG2-CZ2 3.89Å; T424-W426 HydrophobicContact CG2-CZ3 4.28Å; T424-W426 VanDerWaalsContact O-CD1 3.25Å; T424-W426 PolarHBondContact O-N 2.91Å; T424-W426 VanDerWaalsContact O-N 3.14Å; T424-R429 HydrophobicContact CG2-CB 4.32Å; T424-R429 HydrophobicContact CG2-CG 3.92Å
425	D	95	Very high	94.9	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.032	25%	0.249	C	C	.	.			trans	-75	97.8	164.6	-175.1	-16.4	0	0	0	108.6	A427 D428 R429 T434 R767 I772	D425-A427 PolarHBondContact O-N 2.87Å; D425-A427 VanDerWaalsContact O-N 3.15Å; D425-A427 WeakPolarHBondContact OD1-CA 3.29Å; D425-A427 WeakPolarHBondContact OD1-CB 3.46Å; D425-A427 PolarHBondContact OD1-N 3.47Å; D425-D428 CarbonylContact O-C 3.55Å; D425-D428 PolarHBondContact O-N 3.03Å; D425-D428 VanDerWaalsContact O-N 3.08Å; D425-D428 PolarHBondContact OD1-N 3.17Å; D425-R429 WeakPolarHBondContact O-CA 3.21Å; D425-R429 PolarHBondContact O-N 3.02Å; D425-T434 HydrophobicContact CB-CG2 3.47Å; D425-T434 VanDerWaalsContact CB-CG2 3.47Å; D425-R767 IonicContact OD2-NH1 3.54Å; D425-I772 HydrophobicContact CB-CG2 3.87Å
426	W	94.8	Very high	95.3	Very high	105 Å²	105	50.4 Å²	50.4	40%	0.398	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.8	-179.7	-65.6	99.9	0	0	0	114.4	F421 T424 M775	F421-W426 HydrophobicContact CB-CZ2 4.46Å; F421-W426 AromaticContact CD2-CE2 3.71Å; F421-W426 AromaticContact CD2-CZ2 3.5Å; F421-W426 HydrophobicContact CD2-CZ2 3.5Å; F421-W426 AromaticContact CD2-NE1 3.65Å; F421-W426 AromaticContact CE2-CE2 3.9Å; F421-W426 HydrophobicContact CE2-CZ2 4.07Å; F421-W426 AromaticContact CE2-NE1 3.72Å; F421-W426 HydrophobicContact CG-CZ2 4.29Å; F421-W426 PolarHBondContact O-NE1 2.93Å; T424-W426 HydrophobicContact CG2-CD2 3.8Å; T424-W426 HydrophobicContact CG2-CE3 4.09Å; T424-W426 HydrophobicContact CG2-CG 4.28Å; T424-W426 HydrophobicContact CG2-CH2 4.19Å; T424-W426 HydrophobicContact CG2-CZ2 3.89Å; T424-W426 HydrophobicContact CG2-CZ3 4.28Å; T424-W426 VanDerWaalsContact O-CD1 3.25Å; T424-W426 PolarHBondContact O-N 2.91Å; T424-W426 VanDerWaalsContact O-N 3.14Å; W426-M775 HydrophobicContact CB-CE 4.42Å
427	A	94.8	Very high	95.5	Very high	64 Å²	64	50.3 Å²	50.3	53%	0.529	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-12	171.9	0	0	0	0	0	113.4	D425 P773	D425-A427 PolarHBondContact O-N 2.87Å; D425-A427 VanDerWaalsContact O-N 3.15Å; D425-A427 WeakPolarHBondContact OD1-CA 3.29Å; D425-A427 WeakPolarHBondContact OD1-CB 3.46Å; D425-A427 PolarHBondContact OD1-N 3.47Å; A427-P773 HydrophobicContact CB-CG 4.21Å
428	D	93.9	Very high	95.7	Very high	62 Å²	62	46 Å²	46	33%	0.332	23%	0.229	S	C	.	.	S	Bend	trans	-147.9	35.2	-176.5	-164.9	32.7	0	0	0	112.3	D425 D430 N431 T434	D425-D428 CarbonylContact O-C 3.55Å; D425-D428 PolarHBondContact O-N 3.03Å; D425-D428 VanDerWaalsContact O-N 3.08Å; D425-D428 PolarHBondContact OD1-N 3.17Å; D428-D430 VanDerWaalsContact C-N 3.28Å; D428-D430 PolarHBondContact O-N 3.46Å; D428-D430 VanDerWaalsContact O-N 3.07Å; D428-N431 VanDerWaalsContact O-CB 3.31Å; D428-N431 WeakPolarHBondContact O-CB 3.1Å; D428-N431 PolarHBondContact O-N 2.71Å; D428-N431 VanDerWaalsContact O-N 3.11Å; D428-N431 VanDerWaalsContact OD2-CB 3.29Å; D428-N431 WeakPolarHBondContact OD2-CB 3.43Å; D428-N431 PolarHBondContact OD2-ND2 3.48Å; D428-T434 PolarHBondContact OD2-OG1 3.06Å
429	R	92.3	Very high	95.8	Very high	142 Å²	142	44.3 Å²	44.3	54%	0.536	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-39.9	-164.2	174.8	-177.6	174.3	-89.7	4.4	115.3	T424 D425 N431 R435	T424-R429 HydrophobicContact CG2-CB 4.32Å; T424-R429 HydrophobicContact CG2-CG 3.92Å; D425-R429 WeakPolarHBondContact O-CA 3.21Å; D425-R429 PolarHBondContact O-N 3.02Å; R429-N431 VanDerWaalsContact C-N 3.35Å; R429-R435 PolarHBondContact O-NH1 3.42Å
430	D	92.8	Very high	96	Very high	112 Å²	112	45 Å²	45	60%	0.599	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.5	-169.3	-58	-34.8	0	0	0	112.5	D428 P432 R435	D428-D430 VanDerWaalsContact C-N 3.28Å; D428-D430 PolarHBondContact O-N 3.46Å; D428-D430 VanDerWaalsContact O-N 3.07Å; D430-P432 WeakPolarHBondContact O-CD 3.34Å; D430-R435 PolarHBondContact O-NH1 2.78Å
431	N	96.4	Very high	96.1	Very high	52 Å²	52	44.3 Å²	44.3	28%	0.278	22%	0.221	S	C	.	.			trans	-70.8	120	-178.4	-176.4	-15.7	0	0	0	113.2	D428 R429 E433 T434 R435	D428-N431 VanDerWaalsContact O-CB 3.31Å; D428-N431 WeakPolarHBondContact O-CB 3.1Å; D428-N431 PolarHBondContact O-N 2.71Å; D428-N431 VanDerWaalsContact O-N 3.11Å; D428-N431 VanDerWaalsContact OD2-CB 3.29Å; D428-N431 WeakPolarHBondContact OD2-CB 3.43Å; D428-N431 PolarHBondContact OD2-ND2 3.48Å; R429-N431 VanDerWaalsContact C-N 3.35Å; N431-E433 PolarHBondContact OD1-N 2.62Å; N431-T434 PolarHBondContact ND2-OG1 3.22Å; N431-T434 PolarHBondContact O-N 3.3Å; N431-R435 PolarHBondContact O-N 3.04Å; N431-R435 VanDerWaalsContact O-N 3.1Å
432	P	96.8	Very high	96.1	Very high	51 Å²	51	38.9 Å²	38.9	33%	0.331	20%	0.197	S	C	.	.	H	α-helix	trans	-63.8	-39.3	177.8	-21.3	33.3	0	0	0	115.2	G388 V389 D430 T434 R435 R436	G388-P432 VanDerWaalsContact CA-CB 3.44Å; V389-P432 PolarHBondContact N-O 2.82Å; D430-P432 WeakPolarHBondContact O-CD 3.34Å; P432-T434 VanDerWaalsContact C-N 3.27Å; P432-T434 PolarHBondContact O-N 3.04Å; P432-R435 PolarHBondContact O-N 3.49Å; P432-R436 PolarHBondContact O-N 2.84Å
433	E	96	Very high	96.2	Very high	53 Å²	53	37.5 Å²	37.5	25%	0.248	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-41.1	175.7	-86.4	-159.8	-134.7	0	0	110.3	N431 R436 K437 R766	N431-E433 PolarHBondContact OD1-N 2.62Å; E433-R436 PolarHBondContact O-N 3.35Å; E433-K437 WeakPolarHBondContact O-CG 3.48Å; E433-K437 PolarHBondContact O-N 2.87Å; E433-R766 VanDerWaalsContact CD-NH2 3.3Å; E433-R766 IonicContact OE1-CZ 3.7Å; E433-R766 IonicContact OE1-NE 2.77Å; E433-R766 IonicContact OE1-NH2 3.03Å; E433-R766 PolarHBondContact OE1-NH2 2.8Å; E433-R766 IonicContact OE2-CZ 2.76Å; E433-R766 IonicContact OE2-NE 2.62Å; E433-R766 PolarHBondContact OE2-NE 3.07Å; E433-R766 VanDerWaalsContact OE2-NE 3.12Å; E433-R766 IonicContact OE2-NH2 2.87Å; E433-R766 PolarHBondContact OE2-NH2 2.92Å; E433-R766 VanDerWaalsContact OE2-NH2 3.12Å
434	T	95.8	Very high	96.2	Very high	15 Å²	15	37.4 Å²	37.4	9%	0.092	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-41.3	-177.4	-57.6	0	0	0	0	111.1	D425 D428 N431 P432 R436 K437 T438	D425-T434 HydrophobicContact CB-CG2 3.47Å; D425-T434 VanDerWaalsContact CB-CG2 3.47Å; D428-T434 PolarHBondContact OD2-OG1 3.06Å; N431-T434 PolarHBondContact ND2-OG1 3.22Å; N431-T434 PolarHBondContact O-N 3.3Å; P432-T434 VanDerWaalsContact C-N 3.27Å; P432-T434 PolarHBondContact O-N 3.04Å; T434-R436 PolarHBondContact O-N 3.07Å; T434-K437 PolarHBondContact O-N 2.94Å; T434-T438 PolarHBondContact O-N 2.93Å; T434-T438 PolarHBondContact O-OG1 3.37Å
435	R	96.8	Very high	96.3	Very high	41 Å²	41	36.2 Å²	36.2	16%	0.155	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-41.7	171.5	-73.7	-166.4	-60.3	-90.3	-5.2	112.8	V389 S390 F394 R429 D430 N431 P432 K437 T438 L439	V389-R435 VanDerWaalsContact O-CZ 3.29Å; V389-R435 PolarHBondContact O-NE 3.42Å; V389-R435 PolarHBondContact O-NH2 2.78Å; S390-R435 PolarHBondContact O-NE 3.06Å; F394-R435 HydrophobicContact CD2-CB 4.04Å; F394-R435 HydrophobicContact CD2-CG 4.23Å; R429-R435 PolarHBondContact O-NH1 3.42Å; D430-R435 PolarHBondContact O-NH1 2.78Å; N431-R435 PolarHBondContact O-N 3.04Å; N431-R435 VanDerWaalsContact O-N 3.1Å; P432-R435 PolarHBondContact O-N 3.49Å; R435-K437 PolarHBondContact O-N 3.13Å; R435-T438 PolarHBondContact O-N 2.65Å; R435-T438 PolarHBondContact O-OG1 3.17Å; R435-L439 WeakPolarHBondContact O-CG 3.26Å; R435-L439 PolarHBondContact O-N 3.13Å; R435-L439 VanDerWaalsContact O-N 3.08Å
436	R	97	Very high	96.4	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-49.2	174.5	-170.4	-163.3	75.9	-127.4	0.1	111.3	V379 V383 D387 V389 P432 E433 T434 T438 L439 V440 W483	V379-R436 HydrophobicContact CB-CG 4.41Å; V379-R436 HydrophobicContact CG2-CG 4.05Å; V383-R436 HydrophobicContact CG2-CG 3.76Å; D387-R436 WeakPolarHBondContact O-CD 3.24Å; D387-R436 PolarHBondContact O-NH1 2.9Å; V389-R436 HydrophobicContact CB-CB 4.33Å; V389-R436 HydrophobicContact CG2-CB 3.65Å; V389-R436 HydrophobicContact CG2-CG 3.73Å; P432-R436 PolarHBondContact O-N 2.84Å; E433-R436 PolarHBondContact O-N 3.35Å; T434-R436 PolarHBondContact O-N 3.07Å; R436-T438 VanDerWaalsContact C-N 3.33Å; R436-T438 PolarHBondContact O-N 3.31Å; R436-L439 PolarHBondContact O-N 2.92Å; R436-V440 PolarHBondContact O-N 3.14Å; R436-V440 VanDerWaalsContact O-N 3.09Å; R436-W483 HydrophobicContact CG-CH2 4.42Å
437	K	96.4	Very high	96.5	Very high	25 Å²	25	32.4 Å²	32.4	11%	0.109	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-42	177.8	-75.9	176.6	177.5	-177.6	0	112.3	E433 T434 R435 V440 A441 R767 P769	E433-K437 WeakPolarHBondContact O-CG 3.48Å; E433-K437 PolarHBondContact O-N 2.87Å; T434-K437 PolarHBondContact O-N 2.94Å; R435-K437 PolarHBondContact O-N 3.13Å; K437-V440 PolarHBondContact O-N 3.12Å; K437-A441 VanDerWaalsContact O-CB 3.28Å; K437-A441 WeakPolarHBondContact O-CB 3.49Å; K437-A441 PolarHBondContact O-N 2.93Å; K437-R767 PolarHBondContact NZ-O 2.87Å; K437-R767 VanDerWaalsContact NZ-O 3.1Å; K437-P769 HydrophobicContact CB-CG 4.4Å
438	T	97.4	Very high	96.7	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.043	15%	0.145	C	C	.	.	H	α-helix	trans	-74.8	-23.7	-178.6	58.1	0	0	0	0	113.6	Y423 T434 R435 R436 L442 I772	Y423-T438 WeakPolarHBondContact CD1-O 3.26Å; Y423-T438 WeakPolarHBondContact O-CB 3.43Å; Y423-T438 WeakPolarHBondContact O-CG2 3.24Å; Y423-T438 PolarHBondContact O-OG1 3.28Å; T434-T438 PolarHBondContact O-N 2.93Å; T434-T438 PolarHBondContact O-OG1 3.37Å; R435-T438 PolarHBondContact O-N 2.65Å; R435-T438 PolarHBondContact O-OG1 3.17Å; R436-T438 VanDerWaalsContact C-N 3.33Å; R436-T438 PolarHBondContact O-N 3.31Å; T438-L442 VanDerWaalsContact O-CB 3.31Å; T438-L442 WeakPolarHBondContact O-CB 3.12Å; T438-L442 PolarHBondContact O-N 3.29Å; T438-I772 HydrophobicContact CG2-CD1 3.68Å
439	L	97.3	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-71.8	-45.1	168.1	-70	168.2	0	0	0	112.7	F378 V379 V389 F394 V398 R435 R436 A441 L442 F443	F378-L439 HydrophobicContact CD1-CB 4.35Å; F378-L439 WeakPolarHBondContact CD1-O 3.05Å; F378-L439 HydrophobicContact CE1-CB 4.15Å; F378-L439 HydrophobicContact CE1-CD2 4.16Å; V379-L439 HydrophobicContact CG1-CB 3.46Å; V379-L439 VanDerWaalsContact CG1-CB 3.46Å; V379-L439 HydrophobicContact CG1-CD1 4.32Å; V389-L439 HydrophobicContact CB-CD1 4.35Å; V389-L439 HydrophobicContact CG1-CD1 3.73Å; V389-L439 HydrophobicContact CG2-CD1 4.4Å; F394-L439 HydrophobicContact CB-CD1 4.34Å; F394-L439 HydrophobicContact CD2-CD1 3.87Å; F394-L439 HydrophobicContact CD2-CD2 3.6Å; F394-L439 HydrophobicContact CD2-CG 3.51Å; F394-L439 HydrophobicContact CE2-CD2 3.82Å; F394-L439 HydrophobicContact CE2-CG 3.87Å; F394-L439 HydrophobicContact CG-CD1 4.5Å; F394-L439 HydrophobicContact CG-CD2 4.23Å; F394-L439 HydrophobicContact CG-CG 4.43Å; V398-L439 HydrophobicContact CG2-CD2 3.92Å; R435-L439 WeakPolarHBondContact O-CG 3.26Å; R435-L439 PolarHBondContact O-N 3.13Å; R435-L439 VanDerWaalsContact O-N 3.08Å; R436-L439 PolarHBondContact O-N 2.92Å; L439-A441 PolarHBondContact O-N 3.3Å; L439-L442 PolarHBondContact O-N 3.23Å; L439-F443 PolarHBondContact O-N 2.77Å; L439-F443 VanDerWaalsContact O-N 3.16Å
440	V	97.6	Very high	97.2	Very high	14 Å²	14	21.4 Å²	21.4	9%	0.085	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-44.4	172.1	174.6	0	0	0	0	109.6	V379 R436 K437 T444	V379-V440 HydrophobicContact CB-CG2 4.24Å; V379-V440 HydrophobicContact CG1-CG2 3.69Å; V379-V440 HydrophobicContact CG2-CG2 3.47Å; V379-V440 VanDerWaalsContact CG2-CG2 3.47Å; R436-V440 PolarHBondContact O-N 3.14Å; R436-V440 VanDerWaalsContact O-N 3.09Å; K437-V440 PolarHBondContact O-N 3.12Å; V440-T444 WeakPolarHBondContact O-CB 3.46Å; V440-T444 PolarHBondContact O-N 3.48Å; V440-T444 PolarHBondContact O-OG1 2.95Å
441	A	98.1	Very high	97.5	Very high	7 Å²	7	16.3 Å²	16.3	6%	0.058	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-48.5	175.8	0	0	0	0	0	112.5	Y423 K437 L439 F443 T444 D445 P769	Y423-A441 HydrophobicContact CE1-CB 4.49Å; K437-A441 VanDerWaalsContact O-CB 3.28Å; K437-A441 WeakPolarHBondContact O-CB 3.49Å; K437-A441 PolarHBondContact O-N 2.93Å; L439-A441 PolarHBondContact O-N 3.3Å; A441-F443 VanDerWaalsContact C-N 3.32Å; A441-F443 PolarHBondContact O-N 2.62Å; A441-T444 PolarHBondContact O-N 2.96Å; A441-D445 WeakPolarHBondContact O-CB 3.43Å; A441-D445 PolarHBondContact O-N 2.91Å; A441-P769 HydrophobicContact CB-CB 4.42Å
442	L	98.1	Very high	97.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-52.7	-49.5	178.7	179.2	164.2	0	0	0	111.8	V398 F401 I419 Y423 T438 L439 D445 H446 W589	V398-L442 HydrophobicContact CG1-CD1 4.48Å; V398-L442 HydrophobicContact CG2-CD1 3.76Å; F401-L442 HydrophobicContact CD1-CD2 3.81Å; F401-L442 HydrophobicContact CD2-CD2 3.95Å; F401-L442 HydrophobicContact CE1-CD2 3.77Å; F401-L442 HydrophobicContact CE2-CD2 3.88Å; F401-L442 HydrophobicContact CG-CD2 3.9Å; F401-L442 HydrophobicContact CZ-CD2 3.8Å; I419-L442 HydrophobicContact CG2-CD1 3.62Å; I419-L442 HydrophobicContact CG2-CG 4.33Å; Y423-L442 HydrophobicContact CD1-CB 3.75Å; Y423-L442 HydrophobicContact CD2-CB 4.16Å; Y423-L442 HydrophobicContact CD2-CD1 3.94Å; Y423-L442 HydrophobicContact CD2-CG 4.02Å; Y423-L442 VanDerWaalsContact CE1-CA 3.49Å; Y423-L442 HydrophobicContact CE1-CB 3.93Å; Y423-L442 HydrophobicContact CE2-CB 4.32Å; Y423-L442 HydrophobicContact CE2-CG 4.15Å; Y423-L442 HydrophobicContact CG-CB 3.89Å; Y423-L442 HydrophobicContact CG-CD1 4.07Å; Y423-L442 HydrophobicContact CG-CG 4.21Å; T438-L442 VanDerWaalsContact O-CB 3.31Å; T438-L442 WeakPolarHBondContact O-CB 3.12Å; T438-L442 PolarHBondContact O-N 3.29Å; L439-L442 PolarHBondContact O-N 3.23Å; L442-D445 PolarHBondContact O-N 3.22Å; L442-H446 PolarHBondContact O-N 3.49Å; L442-W589 HydrophobicContact CG-CZ2 4.25Å
443	F	97.7	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-73.3	-38.2	-177.8	-162.6	-104.3	0	0	0	112.3	I122 W286 Y335 F378 F401 L439 A441 Q447 W448	I122-F443 HydrophobicContact CD1-CE1 3.85Å; I122-F443 HydrophobicContact CD1-CE2 4.43Å; I122-F443 HydrophobicContact CD1-CZ 3.79Å; I122-F443 HydrophobicContact CG1-CD1 4.4Å; I122-F443 HydrophobicContact CG1-CE1 3.52Å; I122-F443 HydrophobicContact CG1-CZ 3.78Å; W286-F443 HydrophobicContact CH2-CE1 4.03Å; W286-F443 HydrophobicContact CH2-CZ 4.11Å; W286-F443 HydrophobicContact CZ3-CE1 4.21Å; W286-F443 AromaticContact CZ3-CZ 3.86Å; W286-F443 HydrophobicContact CZ3-CZ 3.86Å; Y335-F443 AromaticContact CD1-CE2 3.56Å; Y335-F443 HydrophobicContact CD1-CE2 3.56Å; Y335-F443 AromaticContact CD1-CZ 3.53Å; Y335-F443 HydrophobicContact CD1-CZ 3.53Å; Y335-F443 HydrophobicContact CE1-CD2 4.4Å; Y335-F443 AromaticContact CE1-CE2 3.26Å; Y335-F443 HydrophobicContact CE1-CE2 3.26Å; Y335-F443 AromaticContact CE1-CZ 3.46Å; Y335-F443 HydrophobicContact CE1-CZ 3.46Å; Y335-F443 VanDerWaalsContact CE1-CZ 3.46Å; Y335-F443 HydrophobicContact CG-CE2 4.31Å; Y335-F443 AromaticContact CZ-CE2 3.79Å; F378-F443 HydrophobicContact CB-CB 3.9Å; F378-F443 HydrophobicContact CB-CD1 3.73Å; F378-F443 HydrophobicContact CB-CD2 4.34Å; F378-F443 HydrophobicContact CB-CE1 4.38Å; F378-F443 HydrophobicContact CB-CG 3.71Å; F378-F443 HydrophobicContact CD1-CB 3.54Å; F378-F443 HydrophobicContact CD1-CD2 4.35Å; F378-F443 HydrophobicContact CD1-CG 4.02Å; F378-F443 HydrophobicContact CD2-CB 4.4Å; F378-F443 AromaticContact CD2-CD2 3.75Å; F378-F443 HydrophobicContact CD2-CD2 3.75Å; F378-F443 HydrophobicContact CD2-CE2 4.19Å; F378-F443 AromaticContact CD2-CG 3.99Å; F378-F443 HydrophobicContact CD2-CG 3.99Å; F378-F443 HydrophobicContact CE1-CB 4.1Å; F378-F443 HydrophobicContact CE2-CD2 4.08Å; F378-F443 HydrophobicContact CG-CB 3.7Å; F378-F443 HydrophobicContact CG-CD1 4.18Å; F378-F443 AromaticContact CG-CD2 3.9Å; F378-F443 HydrophobicContact CG-CD2 3.9Å; F378-F443 AromaticContact CG-CG 3.64Å; F378-F443 HydrophobicContact CG-CG 3.64Å; F378-F443 HydrophobicContact CZ-CD2 4.49Å; F401-F443 AromaticContact CD2-CD2 3.71Å; F401-F443 HydrophobicContact CD2-CD2 3.71Å; F401-F443 HydrophobicContact CD2-CE2 4.03Å; F401-F443 AromaticContact CE2-CD2 3.61Å; F401-F443 HydrophobicContact CE2-CD2 3.61Å; F401-F443 AromaticContact CE2-CE2 3.95Å; F401-F443 HydrophobicContact CE2-CE2 3.95Å; L439-F443 PolarHBondContact O-N 2.77Å; L439-F443 VanDerWaalsContact O-N 3.16Å; A441-F443 VanDerWaalsContact C-N 3.32Å; A441-F443 PolarHBondContact O-N 2.62Å; F443-Q447 HydrophobicContact CD1-CG 4.27Å; F443-Q447 HydrophobicContact CD2-CG 4.12Å; F443-Q447 HydrophobicContact CE1-CG 3.89Å; F443-Q447 HydrophobicContact CE2-CG 3.72Å; F443-Q447 HydrophobicContact CG-CG 4.37Å; F443-Q447 HydrophobicContact CZ-CG 3.61Å; F443-Q447 WeakPolarHBondContact O-CB 3.05Å; F443-Q447 WeakPolarHBondContact O-CG 3.34Å; F443-Q447 PolarHBondContact O-N 3.17Å; F443-Q447 VanDerWaalsContact O-N 3.09Å; F443-W448 HydrophobicContact CD1-CH2 4.32Å; F443-W448 AromaticContact CD1-CZ3 3.7Å; F443-W448 HydrophobicContact CD1-CZ3 3.7Å; F443-W448 HydrophobicContact CE1-CH2 4.02Å; F443-W448 AromaticContact CE1-CZ3 3.76Å; F443-W448 HydrophobicContact CE1-CZ3 3.76Å
444	T	98.4	Very high	97.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.8	-46	172.3	-59	0	0	0	0	111.2	E374 G375 V440 A441 W448 V449	E374-T444 HydrophobicContact CB-CG2 3.95Å; E374-T444 HydrophobicContact CG-CG2 3.84Å; E374-T444 PolarHBondContact N-OG1 2.77Å; G375-T444 PolarHBondContact N-OG1 3.19Å; V440-T444 WeakPolarHBondContact O-CB 3.46Å; V440-T444 PolarHBondContact O-N 3.48Å; V440-T444 PolarHBondContact O-OG1 2.95Å; A441-T444 PolarHBondContact O-N 2.96Å; T444-W448 PolarHBondContact O-N 2.04Å; T444-W448 VanDerWaalsContact O-N 3.15Å; T444-V449 HydrophobicContact CG2-CG2 3.88Å; T444-V449 PolarHBondContact O-N 2.72Å
445	D	98.5	Very high	97.8	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	4%	0.042	C	C	.	.	I	π-helix	trans	-64.9	-45.1	-175.5	-74.2	-28.6	0	0	0	112.1	Y423 A441 L442 E450 R582 K585	Y423-D445 WeakPolarHBondContact CE1-OD2 3.42Å; Y423-D445 WeakPolarHBondContact OH-CB 3.29Å; Y423-D445 PolarHBondContact OH-OD2 2.92Å; A441-D445 WeakPolarHBondContact O-CB 3.43Å; A441-D445 PolarHBondContact O-N 2.91Å; L442-D445 PolarHBondContact O-N 3.22Å; D445-E450 WeakPolarHBondContact O-CB 3.28Å; D445-E450 PolarHBondContact O-N 2.67Å; D445-R582 VanDerWaalsContact CG-NH2 3.31Å; D445-R582 IonicContact OD1-CZ 3.24Å; D445-R582 IonicContact OD1-NE 3.87Å; D445-R582 PolarHBondContact OD1-NE 2.98Å; D445-R582 IonicContact OD1-NH2 2.7Å; D445-R582 PolarHBondContact OD1-NH2 2.81Å; D445-R582 VanDerWaalsContact OD1-NH2 3.09Å; D445-R582 IonicContact OD2-CZ 2.7Å; D445-R582 IonicContact OD2-NE 2.76Å; D445-R582 IonicContact OD2-NH2 3.75Å; D445-R582 PolarHBondContact OD2-NH2 3.31Å; D445-K585 HydrophobicContact CB-CB 4.43Å; D445-K585 WeakPolarHBondContact OD2-CG 3.14Å
446	H	97.8	Very high	97.9	Very high	31 Å²	31	6.8 Å²	6.8	14%	0.144	4%	0.035	C	C	.	.	I	π-helix	trans	-77.4	-44.8	-178.3	-174.6	-84.8	0	0	0	113.3	F401 Y406 L442 P451 W589	F401-H446 HydrophobicContact CE2-CB 4.43Å; F401-H446 HydrophobicContact CZ-CB 3.76Å; F401-H446 AromaticContact CZ-CG 3.62Å; F401-H446 AromaticContact CZ-ND1 3.87Å; Y406-H446 AromaticContact CZ-NE2 3.83Å; Y406-H446 PolarHBondContact OH-NE2 3.47Å; L442-H446 PolarHBondContact O-N 3.49Å; H446-P451 WeakPolarHBondContact O-CD 3.2Å; H446-P451 WeakPolarHBondContact O-CG 3.06Å; H446-W589 HydrophobicContact CB-CD2 4.37Å; H446-W589 HydrophobicContact CB-CZ2 4.09Å; H446-W589 AromaticContact CD2-CD2 3.82Å; H446-W589 AromaticContact CD2-CE3 3.61Å; H446-W589 AromaticContact CD2-CZ3 3.81Å
447	Q	97.1	Very high	97.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	I	π-helix	trans	-82.6	-25	-171.8	-64.1	-57.8	112.6	0	0	113.8	S284 S285 W286 F443	S284-Q447 PolarHBondContact OG-O 2.62Å; S285-Q447 PolarHBondContact OG-NE2 3.36Å; W286-Q447 HydrophobicContact CH2-CB 3.56Å; W286-Q447 HydrophobicContact CH2-CG 3.62Å; W286-Q447 HydrophobicContact CZ2-CB 3.65Å; W286-Q447 HydrophobicContact CZ2-CG 4.17Å; W286-Q447 HydrophobicContact CZ3-CB 4.34Å; W286-Q447 HydrophobicContact CZ3-CG 3.94Å; F443-Q447 HydrophobicContact CD1-CG 4.27Å; F443-Q447 HydrophobicContact CD2-CG 4.12Å; F443-Q447 HydrophobicContact CE1-CG 3.89Å; F443-Q447 HydrophobicContact CE2-CG 3.72Å; F443-Q447 HydrophobicContact CG-CG 4.37Å; F443-Q447 HydrophobicContact CZ-CG 3.61Å; F443-Q447 WeakPolarHBondContact O-CB 3.05Å; F443-Q447 WeakPolarHBondContact O-CG 3.34Å; F443-Q447 PolarHBondContact O-N 3.17Å; F443-Q447 VanDerWaalsContact O-N 3.09Å
448	W	98.4	Very high	98	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.015	3%	0.032	C	C	.	.	I	π-helix	trans	-128.7	-53.5	-173.8	-69.3	-85.5	0	0	0	114.3	S279 W286 V370 E374 F443 T444 S452 H488	S279-W448 VanDerWaalsContact C-CD1 3.47Å; S279-W448 PolarHBondContact O-NE1 2.96Å; S279-W448 VanDerWaalsContact O-NE1 3.1Å; W286-W448 AromaticContact CH2-CH2 3.61Å; W286-W448 HydrophobicContact CH2-CH2 3.61Å; W286-W448 AromaticContact CH2-CZ2 3.75Å; W286-W448 HydrophobicContact CH2-CZ2 3.75Å; W286-W448 HydrophobicContact CH2-CZ3 4Å; W286-W448 HydrophobicContact CZ2-CD2 4.25Å; W286-W448 AromaticContact CZ2-CE2 3.77Å; W286-W448 AromaticContact CZ2-CH2 3.97Å; W286-W448 HydrophobicContact CZ2-CH2 3.97Å; W286-W448 AromaticContact CZ2-CZ2 3.63Å; W286-W448 HydrophobicContact CZ2-CZ2 3.63Å; W286-W448 HydrophobicContact CZ2-CZ3 4.38Å; V370-W448 HydrophobicContact CG1-CB 4.04Å; E374-W448 HydrophobicContact CB-CD2 3.45Å; E374-W448 VanDerWaalsContact CB-CD2 3.45Å; E374-W448 HydrophobicContact CB-CE3 3.34Å; E374-W448 HydrophobicContact CB-CG 4.05Å; E374-W448 HydrophobicContact CB-CH2 3.93Å; E374-W448 HydrophobicContact CB-CZ2 4.05Å; E374-W448 HydrophobicContact CB-CZ3 3.59Å; E374-W448 HydrophobicContact CG-CB 3.96Å; E374-W448 HydrophobicContact CG-CD2 3.73Å; E374-W448 HydrophobicContact CG-CE3 4.02Å; E374-W448 HydrophobicContact CG-CG 3.74Å; F443-W448 HydrophobicContact CD1-CH2 4.32Å; F443-W448 AromaticContact CD1-CZ3 3.7Å; F443-W448 HydrophobicContact CD1-CZ3 3.7Å; F443-W448 HydrophobicContact CE1-CH2 4.02Å; F443-W448 AromaticContact CE1-CZ3 3.76Å; F443-W448 HydrophobicContact CE1-CZ3 3.76Å; T444-W448 PolarHBondContact O-N 2.04Å; T444-W448 VanDerWaalsContact O-N 3.15Å; W448-S452 VanDerWaalsContact O-CB 3.24Å; W448-S452 WeakPolarHBondContact O-CB 3.29Å; W448-S452 PolarHBondContact O-N 2.72Å; W448-S452 PolarHBondContact O-OG 3.43Å; W448-H488 AromaticContact CE2-ND1 3.84Å; W448-H488 HydrophobicContact CZ2-CB 4.37Å; W448-H488 AromaticContact CZ2-CG 3.89Å; W448-H488 AromaticContact CZ2-ND1 3.86Å; W448-H488 AromaticContact NE1-CE1 3.48Å; W448-H488 PolarHBondContact NE1-CE1 2.74Å; W448-H488 AromaticContact NE1-ND1 3.53Å
449	V	98.7	Very high	98	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	I	π-helix	trans	-66.4	-53.4	-169.4	-174.9	0	0	0	0	111.4	V370 T444 S452 V453 Y581 V586	V370-V449 HydrophobicContact CG2-CG2 4.18Å; T444-V449 HydrophobicContact CG2-CG2 3.88Å; T444-V449 PolarHBondContact O-N 2.72Å; V449-S452 PolarHBondContact O-N 3.13Å; V449-V453 HydrophobicContact CG1-CG2 4.32Å; V449-V453 VanDerWaalsContact O-CG2 3.3Å; V449-V453 WeakPolarHBondContact O-CG2 3.41Å; V449-V453 PolarHBondContact O-N 3.48Å; V449-Y581 HydrophobicContact CB-CE1 4.47Å; V449-Y581 HydrophobicContact CG1-CD1 3.7Å; V449-Y581 HydrophobicContact CG1-CE1 3.57Å; V449-Y581 HydrophobicContact CG2-CE1 4.07Å; V449-V586 HydrophobicContact CG1-CG2 3.96Å
450	E	98.3	Very high	97.9	Very high	34 Å²	34	6.3 Å²	6.3	16%	0.159	4%	0.035	C	C	.	.	H	α-helix	trans	-65.3	-47.7	-178.4	-171.4	-89.9	-173.1	0	0	112.2	D445 S452 V453 V454 V586 W589 K590	D445-E450 WeakPolarHBondContact O-CB 3.28Å; D445-E450 PolarHBondContact O-N 2.67Å; E450-S452 VanDerWaalsContact C-N 3.28Å; E450-S452 PolarHBondContact O-N 3.36Å; E450-V453 PolarHBondContact O-N 2.85Å; E450-V454 HydrophobicContact CG-CG2 4.24Å; E450-V454 WeakPolarHBondContact O-CG2 3.43Å; E450-V454 PolarHBondContact O-N 3.2Å; E450-V454 WeakPolarHBondContact OE1-CG2 3.31Å; E450-V586 HydrophobicContact CG-CG1 4.06Å; E450-W589 HydrophobicContact CB-CB 4.24Å; E450-W589 HydrophobicContact CG-CB 3.92Å; E450-K590 HydrophobicContact CG-CB 4.13Å; E450-K590 VanDerWaalsContact OE1-CA 3.24Å; E450-K590 WeakPolarHBondContact OE1-CA 3.17Å; E450-K590 VanDerWaalsContact OE1-CB 3.25Å; E450-K590 WeakPolarHBondContact OE1-CB 3.29Å
451	P	98.3	Very high	97.7	Very high	4 Å²	4	11.4 Å²	11.4	3%	0.026	5%	0.052	C	C	.	.	H	α-helix	trans	-53.8	-41.7	173.3	-32.8	38.8	0	0	0	113.5	L283 H446 T455	L283-P451 HydrophobicContact CB-CB 4.17Å; H446-P451 WeakPolarHBondContact O-CD 3.2Å; H446-P451 WeakPolarHBondContact O-CG 3.06Å; P451-T455 WeakPolarHBondContact O-CB 3.33Å; P451-T455 PolarHBondContact O-N 3.01Å; P451-T455 PolarHBondContact O-OG1 2.69Å
452	S	98.4	Very high	97	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-70	-38	178.1	-57.1	0	0	0	0	112.4	L368 V370 W448 V449 E450 T455 A456	L368-S452 WeakPolarHBondContact CD1-O 3.2Å; V370-S452 WeakPolarHBondContact CG1-OG 3.48Å; W448-S452 VanDerWaalsContact O-CB 3.24Å; W448-S452 WeakPolarHBondContact O-CB 3.29Å; W448-S452 PolarHBondContact O-N 2.72Å; W448-S452 PolarHBondContact O-OG 3.43Å; V449-S452 PolarHBondContact O-N 3.13Å; E450-S452 VanDerWaalsContact C-N 3.28Å; E450-S452 PolarHBondContact O-N 3.36Å; S452-T455 PolarHBondContact O-N 3.28Å; S452-A456 WeakPolarHBondContact O-CB 3.33Å; S452-A456 PolarHBondContact O-N 3.3Å
453	V	98.4	Very high	96.6	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.024	10%	0.103	C	C	.	.	H	α-helix	trans	-73.3	-35.9	177.8	175.1	0	0	0	0	111.5	V449 E450 A456 D457 F468 V586	V449-V453 HydrophobicContact CG1-CG2 4.32Å; V449-V453 VanDerWaalsContact O-CG2 3.3Å; V449-V453 WeakPolarHBondContact O-CG2 3.41Å; V449-V453 PolarHBondContact O-N 3.48Å; E450-V453 PolarHBondContact O-N 2.85Å; V453-A456 PolarHBondContact O-N 3.49Å; V453-D457 WeakPolarHBondContact O-CB 3.39Å; V453-D457 PolarHBondContact O-N 3.42Å; V453-F468 HydrophobicContact CG2-CE1 4.49Å; V453-F468 HydrophobicContact CG2-CE2 3.99Å; V453-F468 HydrophobicContact CG2-CZ 3.75Å; V453-V586 HydrophobicContact CB-CG1 4.08Å; V453-V586 HydrophobicContact CB-CG2 4.38Å; V453-V586 HydrophobicContact CG1-CG1 3.77Å; V453-V586 HydrophobicContact CG2-CG2 4.24Å
454	V	97.8	Very high	96.4	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-45.8	170.9	175.7	0	0	0	0	110.6	L283 E450 A456 D457 L458 K590	L283-V454 HydrophobicContact CD1-CB 3.96Å; L283-V454 HydrophobicContact CD1-CG1 3.6Å; E450-V454 HydrophobicContact CG-CG2 4.24Å; E450-V454 WeakPolarHBondContact O-CG2 3.43Å; E450-V454 PolarHBondContact O-N 3.2Å; E450-V454 WeakPolarHBondContact OE1-CG2 3.31Å; V454-A456 VanDerWaalsContact C-N 3.31Å; V454-A456 PolarHBondContact O-N 3.01Å; V454-D457 PolarHBondContact O-N 3.44Å; V454-L458 HydrophobicContact CG1-CD1 3.73Å; V454-L458 HydrophobicContact CG1-CG 4.35Å; V454-L458 WeakPolarHBondContact O-CB 3.45Å; V454-L458 WeakPolarHBondContact O-CG 3.19Å; V454-L458 PolarHBondContact O-N 3.06Å; V454-K590 HydrophobicContact CG2-CD 3.86Å; V454-K590 HydrophobicContact CG2-CG 4Å
455	T	98.1	Very high	96.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-56.4	-45.2	174.1	-52.9	0	0	0	0	111.1	S281 M356 F361 L368 P451 S452 H459	S281-T455 PolarHBondContact OG-OG1 2.85Å; M356-T455 HydrophobicContact CE-CG2 3.95Å; M356-T455 HydrophobicContact SD-CG2 4.05Å; F361-T455 HydrophobicContact CE2-CG2 4.2Å; L368-T455 HydrophobicContact CD1-CG2 3.84Å; P451-T455 WeakPolarHBondContact O-CB 3.33Å; P451-T455 PolarHBondContact O-N 3.01Å; P451-T455 PolarHBondContact O-OG1 2.69Å; S452-T455 PolarHBondContact O-N 3.28Å; T455-H459 WeakPolarHBondContact O-CB 2.99Å; T455-H459 PolarHBondContact O-N 2.66Å; T455-H459 VanDerWaalsContact O-N 3.09Å
456	A	98.2	Very high	96.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-43.9	178.8	0	0	0	0	0	113	L368 S452 V453 V454 A460 T466 F468 Y561	L368-A456 HydrophobicContact CD1-CB 4.11Å; L368-A456 HydrophobicContact CD2-CB 3.98Å; L368-A456 HydrophobicContact CG-CB 4.41Å; S452-A456 WeakPolarHBondContact O-CB 3.33Å; S452-A456 PolarHBondContact O-N 3.3Å; V453-A456 PolarHBondContact O-N 3.49Å; V454-A456 VanDerWaalsContact C-N 3.31Å; V454-A456 PolarHBondContact O-N 3.01Å; A456-A460 WeakPolarHBondContact O-CB 3.09Å; A456-A460 PolarHBondContact O-N 3.24Å; A456-T466 HydrophobicContact CB-CG2 4.28Å; A456-F468 HydrophobicContact CB-CD2 3.78Å; A456-F468 HydrophobicContact CB-CE2 4.16Å; A456-Y561 HydrophobicContact CB-CD1 3.9Å; A456-Y561 HydrophobicContact CB-CE1 3.57Å; A456-Y561 HydrophobicContact CB-CE2 4.47Å; A456-Y561 HydrophobicContact CB-CG 4.49Å
457	D	97.4	Very high	96.4	Very high	10 Å²	10	21 Å²	21	5%	0.053	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-45.6	177.3	-86.2	-28.5	0	0	0	111	V453 V454 R461 Y561 Q566 K590	V453-D457 WeakPolarHBondContact O-CB 3.39Å; V453-D457 PolarHBondContact O-N 3.42Å; V454-D457 PolarHBondContact O-N 3.44Å; D457-R461 VanDerWaalsContact O-CB 3.25Å; D457-R461 WeakPolarHBondContact O-CB 3.43Å; D457-R461 PolarHBondContact O-N 3.4Å; D457-Y561 PolarHBondContact OD1-OH 2.94Å; D457-Q566 PolarHBondContact OD1-NE2 2.94Å; D457-Q566 PolarHBondContact OD2-NE2 3.34Å; D457-K590 IonicContact OD2-NZ 2.8Å; D457-K590 PolarHBondContact OD2-NZ 3.44Å
458	L	96.9	Very high	96.5	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-67.2	-44.8	-178.8	-72.2	170.4	0	0	0	111.7	M356 E357 F361 V454 R461 Y462	M356-L458 HydrophobicContact CB-CB 4.24Å; M356-L458 HydrophobicContact CB-CD1 3.59Å; M356-L458 HydrophobicContact CB-CG 4.47Å; M356-L458 HydrophobicContact SD-CD1 4.25Å; E357-L458 HydrophobicContact CG-CD2 4.06Å; F361-L458 HydrophobicContact CE1-CB 4.47Å; F361-L458 HydrophobicContact CZ-CB 3.86Å; V454-L458 HydrophobicContact CG1-CD1 3.73Å; V454-L458 HydrophobicContact CG1-CG 4.35Å; V454-L458 WeakPolarHBondContact O-CB 3.45Å; V454-L458 WeakPolarHBondContact O-CG 3.19Å; V454-L458 PolarHBondContact O-N 3.06Å; L458-R461 WeakPolarHBondContact O-CB 3.47Å; L458-Y462 WeakPolarHBondContact O-CD2 3.41Å
459	H	97.7	Very high	96.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-45.2	178.2	-171.3	-107	0	0	0	112	F361 L362 Y364 I366 T455 R461 S464 T466	F361-H459 HydrophobicContact CE1-CB 4.31Å; F361-H459 HydrophobicContact CE2-CB 3.82Å; F361-H459 HydrophobicContact CZ-CB 3.69Å; F361-H459 PolarHBondContact O-NE2 3.4Å; L362-H459 WeakPolarHBondContact CD2-O 2.96Å; Y364-H459 PolarHBondContact O-CE1 3.19Å; Y364-H459 VanDerWaalsContact O-CE1 3.23Å; Y364-H459 PolarHBondContact O-NE2 2.94Å; I366-H459 VanDerWaalsContact CD1-CD2 3.5Å; I366-H459 WeakPolarHBondContact CD1-CD2 3.42Å; I366-H459 VanDerWaalsContact CG1-CE1 3.49Å; I366-H459 WeakPolarHBondContact CG1-CE1 3.47Å; T455-H459 WeakPolarHBondContact O-CB 2.99Å; T455-H459 PolarHBondContact O-N 2.66Å; T455-H459 VanDerWaalsContact O-N 3.09Å; H459-R461 PolarHBondContact O-N 3.42Å; H459-S464 WeakPolarHBondContact CE1-CB 3.43Å; H459-S464 WeakPolarHBondContact NE2-CB 3.43Å; H459-T466 PolarHBondContact ND1-OG1 2.99Å
460	A	96.9	Very high	96.6	Very high	10 Å²	10	20.9 Å²	20.9	8%	0.083	11%	0.113	C	C	.	.	H	α-helix	trans	-74.6	-21.5	-178.4	0	0	0	0	0	113.9	A456 Y462 G463 T466 Y561 P563	A456-A460 WeakPolarHBondContact O-CB 3.09Å; A456-A460 PolarHBondContact O-N 3.24Å; A460-Y462 PolarHBondContact O-N 3.27Å; A460-Y462 VanDerWaalsContact O-N 3.15Å; A460-G463 PolarHBondContact O-N 2.79Å; A460-T466 HydrophobicContact CB-CG2 4.36Å; A460-Y561 HydrophobicContact CB-CD1 3.93Å; A460-Y561 HydrophobicContact CB-CE1 4.41Å; A460-P563 HydrophobicContact CB-CG 4.24Å
461	R	92.8	Very high	96.6	Very high	122 Å²	122	19.2 Å²	19.2	46%	0.46	11%	0.105	S	C	.	.	H	α-helix	trans	-51.6	-36.5	178.7	-178	-177.3	-65.3	178.3	1.5	113	E357 D457 L458 H459	E357-R461 IonicContact OE1-NH1 2.79Å; E357-R461 PolarHBondContact OE1-NH1 2.8Å; D457-R461 VanDerWaalsContact O-CB 3.25Å; D457-R461 WeakPolarHBondContact O-CB 3.43Å; D457-R461 PolarHBondContact O-N 3.4Å; L458-R461 WeakPolarHBondContact O-CB 3.47Å; H459-R461 PolarHBondContact O-N 3.42Å
462	Y	83.5	Confident	96.6	Very high	120 Å²	120	20.5 Å²	20.5	47%	0.471	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	4.4	-176.7	-58	-83.7	0	0	0	113.4	E357 L362 L458 A460	E357-Y462 PolarHBondContact O-OH 3.21Å; L362-Y462 HydrophobicContact CD1-CD1 4.26Å; L362-Y462 HydrophobicContact CD1-CD2 3.51Å; L362-Y462 HydrophobicContact CD1-CE2 4.12Å; L362-Y462 HydrophobicContact CD1-CG 3.53Å; L362-Y462 HydrophobicContact CD2-CD2 3.78Å; L362-Y462 HydrophobicContact CD2-CG 4.24Å; L362-Y462 HydrophobicContact CG-CD2 4.22Å; L458-Y462 WeakPolarHBondContact O-CD2 3.41Å; A460-Y462 PolarHBondContact O-N 3.27Å; A460-Y462 VanDerWaalsContact O-N 3.15Å
463	G	88.3	Confident	96.5	Very high	63 Å²	63	21.8 Å²	21.8	65%	0.649	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.1	0.6	175.2	0	0	0	0	0	115.9	A460	A460-G463 PolarHBondContact O-N 2.79Å
464	S	95.3	Very high	96.3	Very high	19 Å²	19	24 Å²	24	13%	0.133	13%	0.125	C	C	.	.			trans	-64.8	139.4	179.3	-61.1	0	0	0	0	111.7	L362 H459 T466	L362-S464 PolarHBondContact O-OG 2.82Å; H459-S464 WeakPolarHBondContact CE1-CB 3.43Å; H459-S464 WeakPolarHBondContact NE2-CB 3.43Å; S464-T466 PolarHBondContact O-N 2.91Å; S464-T466 PolarHBondContact O-OG1 3.02Å
465	P	97.6	Very high	96	Very high	32 Å²	32	24 Å²	24	21%	0.208	13%	0.126	C	C	.	.			trans	-62.8	112.7	-171.1	-27.7	40.2	0	0	0	112.6	D365 I366 Y467	D365-P465 HydrophobicContact CB-CB 4.45Å; D365-P465 WeakPolarHBondContact OD1-CB 3.27Å; D365-P465 WeakPolarHBondContact OD1-CG 3.36Å; I366-P465 PolarHBondContact N-O 3.18Å; P465-Y467 HydrophobicContact CB-CE2 4.49Å
466	T	98.6	Very high	95.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.3	-175.8	-49.9	0	0	0	0	110.2	I366 L368 A456 H459 A460 S464 K560 Y561	I366-T466 CarbonylContact O-C 3.57Å; I366-T466 VanDerWaalsContact O-CA 3.29Å; I366-T466 WeakPolarHBondContact O-CA 3.41Å; L368-T466 HydrophobicContact CD2-CG2 3.84Å; A456-T466 HydrophobicContact CB-CG2 4.28Å; H459-T466 PolarHBondContact ND1-OG1 2.99Å; A460-T466 HydrophobicContact CB-CG2 4.36Å; S464-T466 PolarHBondContact O-N 2.91Å; S464-T466 PolarHBondContact O-OG1 3.02Å; T466-K560 WeakPolarHBondContact O-CA 3.24Å; T466-Y561 HydrophobicContact CG2-CD1 4.06Å; T466-Y561 HydrophobicContact CG2-CG 4.37Å; T466-Y561 PolarHBondContact O-N 3.41Å
467	Y	98.8	Very high	94.6	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.02	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	113.4	177.7	-68	-90.6	0	0	0	110.6	I366 M367 L368 P465 F529 G533 D534 P535 W558 K560	I366-Y467 PolarHBondContact O-N 2.8Å; M367-Y467 WeakPolarHBondContact CA-O 3.37Å; L368-Y467 PolarHBondContact N-O 2.73Å; P465-Y467 HydrophobicContact CB-CE2 4.49Å; Y467-F529 HydrophobicContact CD2-CD2 4.34Å; Y467-F529 AromaticContact CD2-CE2 4Å; Y467-F529 HydrophobicContact CD2-CE2 4Å; Y467-F529 HydrophobicContact CE2-CE2 4.34Å; Y467-G533 VanDerWaalsContact CE2-O 3.31Å; Y467-G533 WeakPolarHBondContact CE2-O 3.35Å; Y467-D534 PolarHBondContact OH-OD1 2.96Å; Y467-P535 HydrophobicContact CD1-CG 3.61Å; Y467-P535 HydrophobicContact CE1-CG 3.7Å; Y467-P535 HydrophobicContact CG-CG 4.02Å; Y467-W558 HydrophobicContact CD1-CG 4.26Å; Y467-K560 HydrophobicContact CD1-CG 4.35Å; Y467-K560 HydrophobicContact CE1-CB 4.46Å; Y467-K560 HydrophobicContact CE1-CG 3.64Å; Y467-K560 HydrophobicContact CE2-CG 4.11Å; Y467-K560 WeakPolarHBondContact OH-CE 3.28Å
468	F	98.9	Very high	93.8	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.6	180	-155.7	-86.6	0	0	0	112	L368 V453 A456 W558 Y561 Y568 L569 Y581	L368-F468 HydrophobicContact CD2-CD2 3.88Å; L368-F468 HydrophobicContact CG-CD2 3.88Å; L368-F468 HydrophobicContact CG-CE2 4.08Å; L368-F468 CarbonylContact O-C 3.57Å; L368-F468 VanDerWaalsContact O-CA 3.24Å; L368-F468 WeakPolarHBondContact O-CA 3.45Å; V453-F468 HydrophobicContact CG2-CE1 4.49Å; V453-F468 HydrophobicContact CG2-CE2 3.99Å; V453-F468 HydrophobicContact CG2-CZ 3.75Å; A456-F468 HydrophobicContact CB-CD2 3.78Å; A456-F468 HydrophobicContact CB-CE2 4.16Å; F468-W558 PolarHBondContact O-NE1 3.45Å; F468-Y561 HydrophobicContact CB-CD2 3.55Å; F468-Y561 HydrophobicContact CB-CE2 4.23Å; F468-Y561 HydrophobicContact CB-CG 4.09Å; F468-Y561 HydrophobicContact CG-CD2 4.23Å; F468-Y561 HydrophobicContact CG-CE2 4.45Å; F468-Y568 HydrophobicContact CD1-CG 4.47Å; F468-Y568 VanDerWaalsContact O-CA 3.25Å; F468-Y568 WeakPolarHBondContact O-CA 3.37Å; F468-Y568 WeakPolarHBondContact O-CB 3.38Å; F468-L569 PolarHBondContact O-N 2.86Å; F468-Y581 AromaticContact CE1-CD1 3.96Å; F468-Y581 HydrophobicContact CE1-CD1 3.96Å
469	Y	98.9	Very high	93	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	158.9	168.3	74.3	-95.4	0	0	0	112.9	Q278 L368 G369 V370 F471 W526 W558 L569 I571	Q278-Y469 WeakPolarHBondContact CA-OH 3.35Å; Q278-Y469 WeakPolarHBondContact CB-OH 3.33Å; Q278-Y469 WeakPolarHBondContact CG-OH 3.44Å; L368-Y469 VanDerWaalsContact O-CD1 3.31Å; L368-Y469 WeakPolarHBondContact O-CD1 3.21Å; L368-Y469 PolarHBondContact O-N 2.83Å; G369-Y469 WeakPolarHBondContact CA-O 3.3Å; V370-Y469 PolarHBondContact N-O 2.71Å; Y469-F471 HydrophobicContact CD2-CB 4.28Å; Y469-F471 HydrophobicContact CE2-CB 4.13Å; Y469-W526 AromaticContact CD1-CH2 3.94Å; Y469-W526 HydrophobicContact CD1-CH2 3.94Å; Y469-W526 HydrophobicContact CD1-CZ2 4.49Å; Y469-W526 AromaticContact CE1-CH2 3.76Å; Y469-W526 HydrophobicContact CE1-CH2 3.76Å; Y469-W526 AromaticContact CE1-CZ2 3.89Å; Y469-W526 HydrophobicContact CE1-CZ2 3.89Å; Y469-W526 HydrophobicContact CG-CH2 4.44Å; Y469-W558 AromaticContact CD1-CH2 3.97Å; Y469-W558 HydrophobicContact CD1-CH2 3.97Å; Y469-W558 HydrophobicContact CD1-CZ2 4.19Å; Y469-W558 HydrophobicContact CG-CH2 4.33Å; Y469-W558 HydrophobicContact CG-CZ2 4.43Å; Y469-L569 WeakPolarHBondContact CA-O 3.45Å; Y469-I571 HydrophobicContact CD2-CD1 4.01Å; Y469-I571 HydrophobicContact CG-CD1 3.87Å
470	A	98.8	Very high	92.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.7	161.9	0	0	0	0	0	109.5	V370 Y472 Y568 L569 I571 Y581	V370-A470 CarbonylContact O-C 3.44Å; V370-A470 VanDerWaalsContact O-CA 3.29Å; V370-A470 WeakPolarHBondContact O-CA 3.46Å; A470-Y472 HydrophobicContact CB-CD2 4.09Å; A470-Y472 HydrophobicContact CB-CE2 3.68Å; A470-Y568 HydrophobicContact CB-CD2 3.84Å; A470-Y568 HydrophobicContact CB-CE2 3.79Å; A470-L569 PolarHBondContact N-O 3.34Å; A470-I571 PolarHBondContact O-N 3.12Å; A470-Y581 HydrophobicContact CB-CD2 4.1Å; A470-Y581 HydrophobicContact CB-CE1 4.21Å; A470-Y581 HydrophobicContact CB-CE2 3.76Å; A470-Y581 HydrophobicContact CB-CG 4.48Å
471	F	98.8	Very high	92.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.6	-172.7	-154	-102.1	0	0	0	111	V370 N371 Q372 Y469 H473 A486 E491 Y494 L518 V522 I571	V370-F471 PolarHBondContact O-N 3.09Å; N371-F471 HydrophobicContact CB-CB 4.45Å; N371-F471 WeakPolarHBondContact OD1-CB 3.3Å; Q372-F471 WeakPolarHBondContact CB-O 3.28Å; Q372-F471 PolarHBondContact N-O 3.15Å; Y469-F471 HydrophobicContact CD2-CB 4.28Å; Y469-F471 HydrophobicContact CE2-CB 4.13Å; F471-H473 WeakPolarHBondContact CD1-O 3.33Å; F471-H473 WeakPolarHBondContact CE1-O 3.49Å; F471-A486 HydrophobicContact CD1-CB 4.42Å; F471-A486 WeakPolarHBondContact O-CB 3.45Å; F471-E491 HydrophobicContact CD1-CB 3.78Å; F471-E491 HydrophobicContact CD2-CB 3.99Å; F471-E491 HydrophobicContact CE1-CB 3.74Å; F471-E491 HydrophobicContact CE2-CB 3.96Å; F471-E491 HydrophobicContact CG-CB 3.92Å; F471-E491 HydrophobicContact CZ-CB 3.85Å; F471-Y494 AromaticContact CE1-CD2 3.98Å; F471-Y494 HydrophobicContact CE1-CD2 3.98Å; F471-Y494 HydrophobicContact CE1-CE2 4.25Å; F471-Y494 AromaticContact CZ-CD2 3.7Å; F471-Y494 HydrophobicContact CZ-CD2 3.7Å; F471-Y494 HydrophobicContact CZ-CE2 4.32Å; F471-Y494 AromaticContact CZ-CG 3.93Å; F471-Y494 HydrophobicContact CZ-CG 3.93Å; F471-L518 HydrophobicContact CZ-CD2 4.26Å; F471-V522 HydrophobicContact CE2-CG2 4.05Å; F471-I571 HydrophobicContact CD2-CB 3.81Å; F471-I571 HydrophobicContact CD2-CD1 4.37Å; F471-I571 HydrophobicContact CD2-CG2 3.56Å; F471-I571 HydrophobicContact CE2-CB 4.29Å; F471-I571 HydrophobicContact CE2-CG2 3.52Å
472	Y	97.8	Very high	91.9	Very high	31 Å²	31	47 Å²	47	12%	0.122	27%	0.269	C	S	.	.			trans	-119.1	43.2	-172.7	-80.2	-102	0	0	0	111	Q372 A470 H570 I571 Y581 D770	Q372-Y472 HydrophobicContact CB-CD1 4.11Å; Q372-Y472 HydrophobicContact CB-CE1 4.34Å; Q372-Y472 HydrophobicContact CB-CG 4.3Å; Q372-Y472 HydrophobicContact CG-CD1 3.65Å; Q372-Y472 HydrophobicContact CG-CE1 3.61Å; Q372-Y472 HydrophobicContact CG-CG 4.34Å; A470-Y472 HydrophobicContact CB-CD2 4.09Å; A470-Y472 HydrophobicContact CB-CE2 3.68Å; Y472-H570 AromaticContact CD1-NE2 3.76Å; Y472-H570 AromaticContact CD2-CD2 3.51Å; Y472-H570 AromaticContact CD2-CG 3.96Å; Y472-H570 AromaticContact CD2-NE2 3.78Å; Y472-H570 AromaticContact CE2-CD2 3.68Å; Y472-H570 AromaticContact CG-CD2 3.75Å; Y472-H570 AromaticContact CG-CE1 3.86Å; Y472-H570 AromaticContact CG-NE2 3.49Å; Y472-I571 PolarHBondContact N-O 3.17Å; Y472-Y581 HydrophobicContact CE2-CE2 4.13Å; Y472-Y581 WeakPolarHBondContact OH-CE2 3.49Å; Y472-D770 WeakPolarHBondContact CE1-OD2 3.25Å; Y472-D770 VanDerWaalsContact OH-CG 3.27Å; Y472-D770 PolarHBondContact OH-OD2 3.09Å
473	H	96.9	Very high	92.3	Very high	27 Å²	27	42.5 Å²	42.5	13%	0.125	25%	0.251	C	S	.	.			trans	-155.5	149.8	178	-172.5	76.8	0	0	0	110.7	F471 A486 Y494 D515 L518 L573	F471-H473 WeakPolarHBondContact CD1-O 3.33Å; F471-H473 WeakPolarHBondContact CE1-O 3.49Å; H473-A486 VanDerWaalsContact O-CB 3.29Å; H473-A486 WeakPolarHBondContact O-CB 3.36Å; H473-Y494 AromaticContact CD2-CE1 3.85Å; H473-Y494 AromaticContact CD2-CZ 3.59Å; H473-Y494 PolarHBondContact CD2-OH 3.49Å; H473-Y494 VanDerWaalsContact CD2-OH 3.27Å; H473-Y494 AromaticContact NE2-CZ 3.96Å; H473-Y494 PolarHBondContact NE2-OH 2.87Å; H473-D515 IonicContact CD2-OD1 2.62Å; H473-D515 IonicContact CE1-OD1 3.88Å; H473-D515 IonicContact NE2-OD1 3.6Å; H473-D515 PolarHBondContact NE2-OD1 3.19Å; H473-L518 HydrophobicContact CB-CD2 3.65Å; H473-L518 WeakPolarHBondContact CD2-CD2 3.42Å; H473-L573 WeakPolarHBondContact ND1-CG 3.5Å
474	H	94.9	Very high	92.5	Very high	49 Å²	49	40 Å²	40	23%	0.227	22%	0.223	C	C	.	.			trans	-154.3	167.4	168.2	65	90.8	0	0	0	109.6	K480 S484 A486 D490	H474-K480 PolarHBondContact ND1-NZ 3.49Å; H474-S484 PolarHBondContact NE2-O 2.74Å; H474-S484 VanDerWaalsContact NE2-O 3.13Å; H474-A486 HydrophobicContact CB-CB 4.43Å; H474-D490 HydrophobicContact CB-CB 3.96Å; H474-D490 VanDerWaalsContact CB-OD2 3.26Å; H474-D490 WeakPolarHBondContact CB-OD2 3.36Å; H474-D490 IonicContact CG-OD2 3.37Å
475	C	91.6	Very high	92.4	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.061	23%	0.23	C	C	.	.			trans	-81.5	158	178.7	54.4	0	0	0	0	111.3	Y494 C509 F511	C475-Y494 WeakPolarHBondContact CA-OH 3.47Å; C475-Y494 WeakPolarHBondContact CB-OH 3.26Å; C475-Y494 PolarHBondContact N-OH 3.11Å; C475-C509 HydrophobicContact CB-CB 3.55Å; C475-C509 WeakPolarHBondContact CB-SG 3.31Å; C475-C509 WeakPolarHBondContact SG-CB 3.41Å; C475-C509 CovalentContact SG-SG 2.02Å; C475-C509 PolarHBondContact SG-SG 3.1Å; C475-F511 HydrophobicContact CB-CD1 3.72Å; C475-F511 HydrophobicContact CB-CE1 3.59Å
476	Q	82.8	Confident	92.4	Very high	151 Å²	151	40 Å²	40	71%	0.706	22%	0.22	S	C	*	.	B	Isolated β-bridge	trans	-80	122.5	174.3	-70	-174.6	-19.9	0	0	110	N510	Q476-N510 PolarHBondContact O-N 3.23Å
477	S	83.1	Confident	92.3	Very high	35 Å²	35	40 Å²	40	25%	0.245	22%	0.22	C	C	.	.			trans	-130.5	142.3	174.4	174.4	0	0	0	0	109.3	M479	S477-M479 PolarHBondContact O-N 2.91Å; S477-M479 PolarHBondContact OG-N 3.49Å
478	L	80.4	Confident	92.2	Very high	188 Å²	188	40 Å²	40	98%	0.984	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.6	174.5	-66.6	174.8	0	0	0	113
479	M	80.8	Confident	92	Very high	93 Å²	93	40 Å²	40	46%	0.458	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.5	-178.2	-49	-170.9	78.3	0	0	112.2	F130 S477	F130-M479 HydrophobicContact CB-CB 4.22Å; F130-M479 HydrophobicContact CB-CE 3.95Å; F130-M479 HydrophobicContact CB-SD 3.98Å; F130-M479 HydrophobicContact CD2-CB 3.58Å; F130-M479 HydrophobicContact CE2-CB 4.05Å; F130-M479 WeakPolarHBondContact CE2-O 3.39Å; F130-M479 HydrophobicContact CG-CB 3.98Å; F130-M479 WeakPolarHBondContact CZ-O 3.45Å; F130-M479 WeakPolarHBondContact O-CE 3.49Å; S477-M479 PolarHBondContact O-N 2.91Å; S477-M479 PolarHBondContact OG-N 3.49Å
480	K	86.4	Confident	92	Very high	18 Å²	18	40.7 Å²	40.7	8%	0.078	22%	0.223	C	C	.	.	S	Bend	trans	-103.6	132.8	-175.2	-156.9	-168.6	177.5	-163	0	110	F130 L376 H474 A482 S484 D485 D490	F130-K480 HydrophobicContact CE2-CB 4.05Å; F130-K480 HydrophobicContact CE2-CG 4.23Å; L376-K480 HydrophobicContact CD2-CG 4.06Å; H474-K480 PolarHBondContact ND1-NZ 3.49Å; K480-A482 PolarHBondContact O-N 3.22Å; K480-S484 WeakPolarHBondContact CD-OG 3.43Å; K480-S484 WeakPolarHBondContact CE-OG 3.26Å; K480-S484 WeakPolarHBondContact CG-OG 3.46Å; K480-D485 PolarHBondContact NZ-O 2.69Å; K480-D490 IonicContact NZ-OD2 2.7Å; K480-D490 PolarHBondContact NZ-OD2 2.93Å
481	P	89.5	Confident	91.9	Very high	36 Å²	36	40.7 Å²	40.7	23%	0.234	22%	0.223	C	C	.	.			trans	-57.1	136.9	-179.5	-26.3	34	0	0	0	113.2	W483 S484	P481-W483 HydrophobicContact CB-CD2 4Å; P481-W483 VanDerWaalsContact CB-CE2 3.45Å; P481-W483 HydrophobicContact CB-CG 4.26Å; P481-W483 HydrophobicContact CB-CZ2 3.81Å; P481-W483 HydrophobicContact CG-CZ2 4.05Å; P481-W483 PolarHBondContact O-N 3.36Å; P481-S484 VanDerWaalsContact O-CB 3.31Å; P481-S484 WeakPolarHBondContact O-CB 3.42Å; P481-S484 PolarHBondContact O-N 3.46Å; P481-S484 PolarHBondContact O-OG 3.21Å
482	A	88.8	Confident	91.9	Very high	110 Å²	110	40.7 Å²	40.7	91%	0.909	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.6	-171.4	0	0	0	0	0	115	K480	K480-A482 PolarHBondContact O-N 3.22Å
483	W	90.7	Very high	91.9	Very high	25 Å²	25	39.4 Å²	39.4	10%	0.095	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.2	174.9	55.3	-102	0	0	0	114.5	L376 V379 V383 D387 R436 P481	L376-W483 HydrophobicContact CD1-CE3 4.25Å; L376-W483 HydrophobicContact CD1-CH2 3.37Å; L376-W483 HydrophobicContact CD1-CZ2 4.44Å; L376-W483 HydrophobicContact CD1-CZ3 3.24Å; V379-W483 HydrophobicContact CG2-CH2 3.91Å; V383-W483 HydrophobicContact CG1-CZ2 4.22Å; V383-W483 HydrophobicContact CG2-CH2 4.34Å; V383-W483 HydrophobicContact CG2-CZ2 4.03Å; D387-W483 HydrophobicContact CB-CG 4.32Å; D387-W483 PolarHBondContact OD1-NE1 3.04Å; D387-W483 VanDerWaalsContact OD2-CD1 3.29Å; R436-W483 HydrophobicContact CG-CH2 4.42Å; P481-W483 HydrophobicContact CB-CD2 4Å; P481-W483 VanDerWaalsContact CB-CE2 3.45Å; P481-W483 HydrophobicContact CB-CG 4.26Å; P481-W483 HydrophobicContact CB-CZ2 3.81Å; P481-W483 HydrophobicContact CG-CZ2 4.05Å; P481-W483 PolarHBondContact O-N 3.36Å
484	S	92.6	Very high	91.9	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.07	21%	0.213	C	C	.	.			trans	-71.6	141.2	-174	60.9	0	0	0	0	112	H474 K480 P481	H474-S484 PolarHBondContact NE2-O 2.74Å; H474-S484 VanDerWaalsContact NE2-O 3.13Å; K480-S484 WeakPolarHBondContact CD-OG 3.43Å; K480-S484 WeakPolarHBondContact CE-OG 3.26Å; K480-S484 WeakPolarHBondContact CG-OG 3.46Å; P481-S484 VanDerWaalsContact O-CB 3.31Å; P481-S484 WeakPolarHBondContact O-CB 3.42Å; P481-S484 PolarHBondContact O-N 3.46Å; P481-S484 PolarHBondContact O-OG 3.21Å
485	D	94.9	Very high	92.1	Very high	52 Å²	52	35.8 Å²	35.8	28%	0.278	20%	0.202	S	C	.	.			trans	-85.2	178.4	167.8	-66.2	-64.9	0	0	0	110.1	Q372 K480 A487	Q372-D485 HydrophobicContact CB-CB 4.25Å; Q372-D485 HydrophobicContact CG-CB 3.98Å; Q372-D485 PolarHBondContact NE2-OD1 3.16Å; K480-D485 PolarHBondContact NZ-O 2.69Å; D485-A487 PolarHBondContact O-N 2.96Å
486	A	96.8	Very high	92.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-59.4	121.1	178.2	0	0	0	0	0	111.5	N371 Q372 G373 F471 H473 H474	N371-A486 HydrophobicContact CB-CB 4.4Å; Q372-A486 HydrophobicContact CB-CB 4.35Å; Q372-A486 PolarHBondContact N-O 3.17Å; G373-A486 CarbonylContact C-O 3.54Å; G373-A486 WeakPolarHBondContact CA-O 3.37Å; G373-A486 PolarHBondContact N-O 3.35Å; F471-A486 HydrophobicContact CD1-CB 4.42Å; F471-A486 WeakPolarHBondContact O-CB 3.45Å; H473-A486 VanDerWaalsContact O-CB 3.29Å; H473-A486 WeakPolarHBondContact O-CB 3.36Å; H474-A486 HydrophobicContact CB-CB 4.43Å
487	A	96.2	Very high	93.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.166	C	C	.	.			trans	-116.7	-174.6	-167	0	0	0	0	0	112.2	I126 N371 G373 L376 D485 G489 D490	I126-A487 HydrophobicContact CD1-CB 3.5Å; I126-A487 HydrophobicContact CG1-CB 4.24Å; N371-A487 PolarHBondContact ND2-O 2.91Å; G373-A487 WeakPolarHBondContact O-CA 3.47Å; L376-A487 HydrophobicContact CB-CB 3.92Å; L376-A487 HydrophobicContact CD2-CB 4.08Å; D485-A487 PolarHBondContact O-N 2.96Å; A487-G489 PolarHBondContact O-N 3.39Å; A487-D490 PolarHBondContact N-OD2 2.64Å; A487-D490 WeakPolarHBondContact O-CB 3.02Å; A487-D490 PolarHBondContact O-N 2.77Å; A487-D490 VanDerWaalsContact O-N 3.08Å
488	H	97	Very high	93.8	Very high	6 Å²	6	27 Å²	27	3%	0.028	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	120.9	-167.8	-162.8	50.2	0	0	0	113.9	M123 P125 I126 G253 S279 E374 W448	M123-H488 PolarHBondContact O-CD2 2.66Å; P125-H488 WeakPolarHBondContact CA-O 3.46Å; I126-H488 PolarHBondContact N-O 3.28Å; G253-H488 WeakPolarHBondContact CA-NE2 3.49Å; S279-H488 PolarHBondContact O-CE1 3.09Å; E374-H488 VanDerWaalsContact OE2-CA 3.26Å; E374-H488 WeakPolarHBondContact OE2-CA 3.27Å; E374-H488 IonicContact OE2-CE1 3.86Å; E374-H488 IonicContact OE2-CG 3.12Å; E374-H488 IonicContact OE2-ND1 2.83Å; E374-H488 PolarHBondContact OE2-ND1 2.57Å; W448-H488 AromaticContact CE2-ND1 3.84Å; W448-H488 HydrophobicContact CZ2-CB 4.37Å; W448-H488 AromaticContact CZ2-CG 3.89Å; W448-H488 AromaticContact CZ2-ND1 3.86Å; W448-H488 AromaticContact NE1-CE1 3.48Å; W448-H488 PolarHBondContact NE1-CE1 2.74Å; W448-H488 AromaticContact NE1-ND1 3.53Å
489	G	95.6	Very high	94.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	8.3	-178.1	0	0	0	0	0	116.3	W127 A487 E491 V492	W127-G489 PolarHBondContact NE1-O 2.99Å; A487-G489 PolarHBondContact O-N 3.39Å; G489-E491 WeakPolarHBondContact CA-OE2 3.38Å; G489-E491 PolarHBondContact O-N 3.1Å; G489-V492 WeakPolarHBondContact O-CB 3.49Å; G489-V492 WeakPolarHBondContact O-CG2 3.43Å; G489-V492 PolarHBondContact O-N 3.32Å
490	D	97.1	Very high	95.1	Very high	14 Å²	14	15.2 Å²	15.2	8%	0.075	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.3	176.7	-85.7	-16.7	0	0	0	113.4	H474 K480 A487 P493 Y494	H474-D490 HydrophobicContact CB-CB 3.96Å; H474-D490 VanDerWaalsContact CB-OD2 3.26Å; H474-D490 WeakPolarHBondContact CB-OD2 3.36Å; H474-D490 IonicContact CG-OD2 3.37Å; K480-D490 IonicContact NZ-OD2 2.7Å; K480-D490 PolarHBondContact NZ-OD2 2.93Å; A487-D490 PolarHBondContact N-OD2 2.64Å; A487-D490 WeakPolarHBondContact O-CB 3.02Å; A487-D490 PolarHBondContact O-N 2.77Å; A487-D490 VanDerWaalsContact O-N 3.08Å; D490-P493 WeakPolarHBondContact O-CD 3.49Å; D490-P493 WeakPolarHBondContact O-CG 3.47Å; D490-Y494 VanDerWaalsContact O-CD2 3.25Å; D490-Y494 WeakPolarHBondContact O-CD2 3.33Å; D490-Y494 VanDerWaalsContact O-CE2 3.31Å; D490-Y494 WeakPolarHBondContact O-CE2 3.04Å
491	E	98.2	Very high	95.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-27.2	178.7	86.3	-57.1	156.8	0	0	112.9	S252 Q278 N371 F471 G489 Y494 V495	S252-E491 PolarHBondContact OG-OE1 2.93Å; S252-E491 VanDerWaalsContact OG-OE1 3.12Å; Q278-E491 PolarHBondContact NE2-OE1 2.84Å; N371-E491 PolarHBondContact ND2-OE2 2.71Å; F471-E491 HydrophobicContact CD1-CB 3.78Å; F471-E491 HydrophobicContact CD2-CB 3.99Å; F471-E491 HydrophobicContact CE1-CB 3.74Å; F471-E491 HydrophobicContact CE2-CB 3.96Å; F471-E491 HydrophobicContact CG-CB 3.92Å; F471-E491 HydrophobicContact CZ-CB 3.85Å; G489-E491 WeakPolarHBondContact CA-OE2 3.38Å; G489-E491 PolarHBondContact O-N 3.1Å; E491-Y494 WeakPolarHBondContact O-CB 3.41Å; E491-Y494 PolarHBondContact O-N 3.26Å; E491-V495 PolarHBondContact O-N 3.46Å
492	V	97.8	Very high	95.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-47.8	-52.8	179.4	179	0	0	0	0	113.5	W127 I184 G489 Y494 V495 F496 F507	W127-V492 HydrophobicContact CZ2-CG1 4.34Å; I184-V492 HydrophobicContact CD1-CG1 4.05Å; G489-V492 WeakPolarHBondContact O-CB 3.49Å; G489-V492 WeakPolarHBondContact O-CG2 3.43Å; G489-V492 PolarHBondContact O-N 3.32Å; V492-Y494 PolarHBondContact O-N 3.25Å; V492-V495 PolarHBondContact O-N 2.79Å; V492-V495 VanDerWaalsContact O-N 3.16Å; V492-F496 HydrophobicContact CG1-CD2 3.86Å; V492-F496 HydrophobicContact CG1-CE2 4.24Å; V492-F496 WeakPolarHBondContact O-CD2 3.11Å; V492-F496 PolarHBondContact O-N 3.32Å; V492-F507 HydrophobicContact CG1-CZ 4.2Å
493	P	97.3	Very high	95.7	Very high	4 Å²	4	14.6 Å²	14.6	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-26.3	179.6	22.9	-34	0	0	0	113.8	D490 G497 I498 P499 F507 F511	D490-P493 WeakPolarHBondContact O-CD 3.49Å; D490-P493 WeakPolarHBondContact O-CG 3.47Å; P493-G497 PolarHBondContact O-N 3.28Å; P493-I498 HydrophobicContact CB-CB 4.08Å; P493-I498 HydrophobicContact CB-CG1 4.06Å; P493-I498 PolarHBondContact O-N 3.49Å; P493-P499 WeakPolarHBondContact O-CD 3.38Å; P493-F507 HydrophobicContact CB-CD1 3.9Å; P493-F507 HydrophobicContact CB-CE1 4.15Å; P493-F507 HydrophobicContact CB-CG 4.36Å; P493-F507 HydrophobicContact CG-CD1 4.17Å; P493-F507 HydrophobicContact CG-CE1 4.31Å; P493-F511 HydrophobicContact CB-CE1 4.4Å; P493-F511 HydrophobicContact CB-CZ 4.13Å
494	Y	98.5	Very high	95.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-77.8	-37.4	176.1	-60.8	-90.2	0	0	0	111.9	F471 H473 C475 D490 E491 V492 P499 D515 L518 S519	F471-Y494 AromaticContact CE1-CD2 3.98Å; F471-Y494 HydrophobicContact CE1-CD2 3.98Å; F471-Y494 HydrophobicContact CE1-CE2 4.25Å; F471-Y494 AromaticContact CZ-CD2 3.7Å; F471-Y494 HydrophobicContact CZ-CD2 3.7Å; F471-Y494 HydrophobicContact CZ-CE2 4.32Å; F471-Y494 AromaticContact CZ-CG 3.93Å; F471-Y494 HydrophobicContact CZ-CG 3.93Å; H473-Y494 AromaticContact CD2-CE1 3.85Å; H473-Y494 AromaticContact CD2-CZ 3.59Å; H473-Y494 PolarHBondContact CD2-OH 3.49Å; H473-Y494 VanDerWaalsContact CD2-OH 3.27Å; H473-Y494 AromaticContact NE2-CZ 3.96Å; H473-Y494 PolarHBondContact NE2-OH 2.87Å; C475-Y494 WeakPolarHBondContact CA-OH 3.47Å; C475-Y494 WeakPolarHBondContact CB-OH 3.26Å; C475-Y494 PolarHBondContact N-OH 3.11Å; D490-Y494 VanDerWaalsContact O-CD2 3.25Å; D490-Y494 WeakPolarHBondContact O-CD2 3.33Å; D490-Y494 VanDerWaalsContact O-CE2 3.31Å; D490-Y494 WeakPolarHBondContact O-CE2 3.04Å; E491-Y494 WeakPolarHBondContact O-CB 3.41Å; E491-Y494 PolarHBondContact O-N 3.26Å; V492-Y494 PolarHBondContact O-N 3.25Å; Y494-P499 HydrophobicContact CD1-CG 4.22Å; Y494-P499 HydrophobicContact CE1-CG 4.29Å; Y494-D515 HydrophobicContact CE1-CB 3.8Å; Y494-D515 WeakPolarHBondContact CE1-OD1 3.49Å; Y494-D515 PolarHBondContact OH-OD1 3.31Å; Y494-L518 HydrophobicContact CD1-CB 4.23Å; Y494-L518 HydrophobicContact CD1-CD2 4.1Å; Y494-L518 HydrophobicContact CD1-CG 4.24Å; Y494-L518 HydrophobicContact CE1-CB 4.43Å; Y494-L518 HydrophobicContact CE1-CD2 4.09Å; Y494-S519 PolarHBondContact O-OG 3.31Å
495	V	98.7	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-38	174.4	174.8	0	0	0	0	111.7	F250 E491 V492 V522 M523 W526	F250-V495 HydrophobicContact CD2-CG1 4.42Å; F250-V495 HydrophobicContact CE2-CG1 3.88Å; E491-V495 PolarHBondContact O-N 3.46Å; V492-V495 PolarHBondContact O-N 2.79Å; V492-V495 VanDerWaalsContact O-N 3.16Å; V495-V522 HydrophobicContact CB-CG1 4.33Å; V495-V522 HydrophobicContact CG2-CG1 3.6Å; V495-M523 VanDerWaalsContact O-CG 3.31Å; V495-M523 WeakPolarHBondContact O-CG 3.38Å; V495-W526 HydrophobicContact CG1-CG 4.4Å; V495-W526 HydrophobicContact CG2-CD2 4.4Å; V495-W526 HydrophobicContact CG2-CZ2 3.96Å
496	F	98.4	Very high	95.5	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.2	-180	-72.8	-76.1	0	0	0	115	Y170 I184 L189 V197 F250 V492 I498	Y170-F496 HydrophobicContact CD1-CZ 4.15Å; Y170-F496 HydrophobicContact CD2-CE2 4.03Å; Y170-F496 AromaticContact CD2-CZ 3.59Å; Y170-F496 HydrophobicContact CD2-CZ 3.59Å; Y170-F496 HydrophobicContact CE1-CE2 4.49Å; Y170-F496 HydrophobicContact CE1-CZ 4.43Å; Y170-F496 AromaticContact CE2-CE2 3.84Å; Y170-F496 HydrophobicContact CE2-CE2 3.84Å; Y170-F496 AromaticContact CE2-CZ 3.9Å; Y170-F496 HydrophobicContact CE2-CZ 3.9Å; Y170-F496 HydrophobicContact CG-CE2 4.42Å; Y170-F496 AromaticContact CG-CZ 3.71Å; Y170-F496 HydrophobicContact CG-CZ 3.71Å; I184-F496 HydrophobicContact CG2-CD1 3.43Å; I184-F496 VanDerWaalsContact CG2-CD1 3.43Å; I184-F496 HydrophobicContact CG2-CD2 3.73Å; I184-F496 HydrophobicContact CG2-CE1 3.32Å; I184-F496 HydrophobicContact CG2-CE2 3.62Å; I184-F496 HydrophobicContact CG2-CG 3.64Å; I184-F496 HydrophobicContact CG2-CZ 3.43Å; I184-F496 VanDerWaalsContact CG2-CZ 3.43Å; L189-F496 HydrophobicContact CB-CD1 4.49Å; L189-F496 HydrophobicContact CD2-CD1 4.11Å; L189-F496 HydrophobicContact CD2-CE1 3.96Å; V197-F496 HydrophobicContact CG1-CE1 4.44Å; F250-F496 HydrophobicContact CE2-CE1 4.07Å; F250-F496 HydrophobicContact CE2-CE2 4.02Å; F250-F496 AromaticContact CE2-CZ 3.39Å; F250-F496 HydrophobicContact CE2-CZ 3.39Å; F250-F496 AromaticContact CZ-CE1 3.78Å; F250-F496 HydrophobicContact CZ-CE1 3.78Å; F250-F496 AromaticContact CZ-CZ 3.48Å; F250-F496 HydrophobicContact CZ-CZ 3.48Å; F250-F496 VanDerWaalsContact CZ-CZ 3.48Å; V492-F496 HydrophobicContact CG1-CD2 3.86Å; V492-F496 HydrophobicContact CG1-CE2 4.24Å; V492-F496 WeakPolarHBondContact O-CD2 3.11Å; V492-F496 PolarHBondContact O-N 3.32Å; F496-I498 VanDerWaalsContact C-N 3.28Å; F496-I498 HydrophobicContact CB-CD1 4.33Å; F496-I498 HydrophobicContact CB-CG1 4.4Å; F496-I498 PolarHBondContact O-N 3.14Å
497	G	97.1	Very high	95.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	8.4	170.9	0	0	0	0	0	115.9	P493 P499 M500 S519 M523	P493-G497 PolarHBondContact O-N 3.28Å; G497-P499 VanDerWaalsContact C-CD 3.44Å; G497-P499 VanDerWaalsContact C-N 3.33Å; G497-M500 VanDerWaalsContact O-CB 3.3Å; G497-M500 WeakPolarHBondContact O-CB 3.33Å; G497-M500 PolarHBondContact O-N 3.28Å; G497-S519 VanDerWaalsContact CA-OG 3.31Å; G497-S519 WeakPolarHBondContact CA-OG 3.2Å; G497-M523 VanDerWaalsContact CA-SD 3.54Å
498	I	96.4	Very high	95	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.051	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-53.1	-40.8	-173.3	-50	-59.1	0	0	0	113	P493 F496 M500 I501 G502 T504 F507 F511	P493-I498 HydrophobicContact CB-CB 4.08Å; P493-I498 HydrophobicContact CB-CG1 4.06Å; P493-I498 PolarHBondContact O-N 3.49Å; F496-I498 VanDerWaalsContact C-N 3.28Å; F496-I498 HydrophobicContact CB-CD1 4.33Å; F496-I498 HydrophobicContact CB-CG1 4.4Å; F496-I498 PolarHBondContact O-N 3.14Å; I498-M500 PolarHBondContact O-N 2.86Å; I498-I501 HydrophobicContact CD1-CD1 4.49Å; I498-I501 WeakPolarHBondContact O-CG1 3.26Å; I498-I501 PolarHBondContact O-N 2.92Å; I498-G502 PolarHBondContact O-N 2.91Å; I498-T504 HydrophobicContact CG2-CG2 4.03Å; I498-F507 HydrophobicContact CD1-CD2 4.4Å; I498-F507 HydrophobicContact CG1-CD2 4.11Å; I498-F507 HydrophobicContact CG1-CE2 4.36Å; I498-F507 HydrophobicContact CG2-CB 4.06Å; I498-F507 HydrophobicContact CG2-CD2 4.37Å; I498-F507 HydrophobicContact CG2-CG 4.45Å; I498-F511 HydrophobicContact CB-CE2 4.48Å; I498-F511 HydrophobicContact CB-CZ 4.44Å; I498-F511 HydrophobicContact CG2-CE2 3.78Å; I498-F511 HydrophobicContact CG2-CZ 4.1Å
499	P	95.6	Very high	94.5	Very high	7 Å²	7	22.5 Å²	22.5	5%	0.045	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-53.6	-25.1	173.9	-29.5	36.6	0	0	0	115.5	P493 Y494 G497 F511 D515 V516	P493-P499 WeakPolarHBondContact O-CD 3.38Å; Y494-P499 HydrophobicContact CD1-CG 4.22Å; Y494-P499 HydrophobicContact CE1-CG 4.29Å; G497-P499 VanDerWaalsContact C-CD 3.44Å; G497-P499 VanDerWaalsContact C-N 3.33Å; P499-F511 HydrophobicContact CB-CB 4.1Å; P499-F511 HydrophobicContact CB-CD1 4.11Å; P499-F511 HydrophobicContact CB-CG 4.04Å; P499-F511 HydrophobicContact CG-CD1 3.64Å; P499-F511 HydrophobicContact CG-CE1 3.85Å; P499-F511 HydrophobicContact CG-CG 4.03Å; P499-F511 HydrophobicContact CG-CZ 4.43Å; P499-D515 HydrophobicContact CB-CB 4.17Å; P499-D515 HydrophobicContact CG-CB 4.23Å; P499-V516 HydrophobicContact CB-CG2 4.27Å; P499-V516 WeakPolarHBondContact O-CG2 3.24Å
500	M	93.7	Very high	94.2	Very high	25 Å²	25	28.2 Å²	28.2	12%	0.123	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-76.3	-23.3	179.6	-58.1	-165.9	174.3	0	0	114	L68 V188 Y192 G497 I498 V516 A520 M523 I546	L68-M500 HydrophobicContact CD1-CB 4.46Å; L68-M500 HydrophobicContact CD1-SD 4.44Å; V188-M500 HydrophobicContact CG1-CB 4.3Å; V188-M500 HydrophobicContact CG1-SD 4.23Å; Y192-M500 HydrophobicContact CD2-CE 3.72Å; Y192-M500 HydrophobicContact CD2-SD 3.85Å; Y192-M500 HydrophobicContact CE2-CE 3.66Å; Y192-M500 HydrophobicContact CE2-SD 4.35Å; G497-M500 VanDerWaalsContact O-CB 3.3Å; G497-M500 WeakPolarHBondContact O-CB 3.33Å; G497-M500 PolarHBondContact O-N 3.28Å; I498-M500 PolarHBondContact O-N 2.86Å; M500-V516 HydrophobicContact CG-CG1 4.3Å; M500-A520 HydrophobicContact CE-CB 3.52Å; M500-M523 HydrophobicContact CE-CE 3.33Å; M500-M523 HydrophobicContact CG-CE 4.47Å; M500-M523 HydrophobicContact SD-CE 3.59Å; M500-M523 VanDerWaalsContact SD-CE 3.59Å; M500-I546 HydrophobicContact CE-CD1 4.5Å; M500-I546 HydrophobicContact CE-CG1 4.14Å; M500-I546 HydrophobicContact SD-CD1 3.96Å; M500-I546 HydrophobicContact SD-CG1 3.96Å
501	I	93.3	Very high	94	Very high	52 Å²	52	28.7 Å²	28.7	27%	0.267	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-15.4	177	61.1	170.5	0	0	0	112.3	P64 V188 I498 T504	P64-I501 HydrophobicContact CG-CB 3.85Å; P64-I501 HydrophobicContact CG-CG2 3.67Å; V188-I501 HydrophobicContact CG2-CD1 4.42Å; V188-I501 HydrophobicContact CG2-CG2 3.66Å; I498-I501 HydrophobicContact CD1-CD1 4.49Å; I498-I501 WeakPolarHBondContact O-CG1 3.26Å; I498-I501 PolarHBondContact O-N 2.92Å; I501-T504 HydrophobicContact CD1-CG2 3.96Å; I501-T504 HydrophobicContact CG1-CG2 4.43Å
502	G	91.6	Very high	93.9	Very high	16 Å²	16	31 Å²	31	17%	0.165	18%	0.181	C	C	.	.			trans	101.8	-169.6	178.3	0	0	0	0	0	113	I498	I498-G502 PolarHBondContact O-N 2.91Å
503	P	92	Very high	93.7	Very high	84 Å²	84	37.2 Å²	37.2	55%	0.545	21%	0.208	S	C	.	.			trans	-61.7	140.3	174.4	-14.6	27.9	0	0	0	110.5	C509	P503-C509 WeakPolarHBondContact CG-O 3.14Å
504	T	92.4	Very high	93.6	Very high	43 Å²	43	38.9 Å²	38.9	26%	0.264	22%	0.217	S	C	.	.			trans	-122.4	167.5	173.1	68.1	0	0	0	0	109.9	I498 I501 L506 F507 P508	I498-T504 HydrophobicContact CG2-CG2 4.03Å; I501-T504 HydrophobicContact CD1-CG2 3.96Å; I501-T504 HydrophobicContact CG1-CG2 4.43Å; T504-L506 PolarHBondContact O-N 3.06Å; T504-F507 PolarHBondContact N-O 3.04Å; T504-F507 VanDerWaalsContact N-O 3.13Å; T504-F507 CarbonylContact O-C 3.3Å; T504-F507 PolarHBondContact O-N 3.14Å; T504-F507 VanDerWaalsContact O-N 3.12Å; T504-F507 PolarHBondContact OG1-N 3.08Å; T504-P508 WeakPolarHBondContact O-CA 3.4Å
505	D	90.4	Very high	93.5	Very high	126 Å²	126	39.2 Å²	39.2	67%	0.674	22%	0.219	S	C	*	.	S	Bend	trans	-60	-35.8	-179	-56.5	-42.5	0	0	0	112.4	I134	I134-D505 HydrophobicContact CD1-CB 4.2Å; I134-D505 HydrophobicContact CG1-CB 4.36Å; I134-D505 HydrophobicContact CG2-CB 3.92Å
506	L	91.3	Very high	93.4	Very high	2 Å²	2	40 Å²	40	1%	0.01	22%	0.224	C	C	.	.	S	Bend	trans	-81.5	-25.8	177.2	-173.7	62.8	0	0	0	112.9	W127 N131 I134 V135 Y138 M183 T504 P508	W127-L506 HydrophobicContact CE3-CD1 4.04Å; W127-L506 HydrophobicContact CE3-CD2 4.33Å; W127-L506 HydrophobicContact CE3-CG 4.1Å; W127-L506 HydrophobicContact CZ3-CD1 4.18Å; W127-L506 HydrophobicContact CZ3-CD2 4.06Å; W127-L506 HydrophobicContact CZ3-CG 4.29Å; N131-L506 PolarHBondContact ND2-O 2.68Å; I134-L506 HydrophobicContact CG2-CB 4.27Å; I134-L506 HydrophobicContact CG2-CD1 4.43Å; V135-L506 HydrophobicContact CG2-CD1 3.83Å; Y138-L506 HydrophobicContact CE2-CD2 4.47Å; M183-L506 HydrophobicContact CB-CD2 3.92Å; M183-L506 HydrophobicContact CG-CD2 4.32Å; M183-L506 VanDerWaalsContact O-CD2 3.27Å; M183-L506 WeakPolarHBondContact O-CD2 3.46Å; T504-L506 PolarHBondContact O-N 3.06Å; L506-P508 VanDerWaalsContact C-CD 3.46Å
507	F	92.5	Very high	93.2	Very high	12 Å²	12	40 Å²	40	5%	0.053	22%	0.224	C	C	.	.			trans	-126.2	71.4	177.5	-60	-81.6	0	0	0	110.4	W127 I184 V492 P493 I498 T504 C509 F511	W127-F507 HydrophobicContact CB-CD1 3.95Å; W127-F507 HydrophobicContact CB-CE1 3.86Å; W127-F507 AromaticContact CD1-CE1 3.75Å; W127-F507 AromaticContact CD2-CE1 3.59Å; W127-F507 HydrophobicContact CD2-CE1 3.59Å; W127-F507 AromaticContact CD2-CZ 3.96Å; W127-F507 HydrophobicContact CD2-CZ 3.96Å; W127-F507 HydrophobicContact CE3-CE1 4.1Å; W127-F507 HydrophobicContact CE3-CZ 4.12Å; W127-F507 HydrophobicContact CG-CD1 4.08Å; W127-F507 AromaticContact CG-CE1 3.46Å; W127-F507 HydrophobicContact CG-CE1 3.46Å; W127-F507 VanDerWaalsContact CG-CE1 3.46Å; W127-F507 HydrophobicContact CG-CZ 4.3Å; I184-F507 HydrophobicContact CD1-CE2 4.5Å; I184-F507 HydrophobicContact CD1-CZ 4.21Å; V492-F507 HydrophobicContact CG1-CZ 4.2Å; P493-F507 HydrophobicContact CB-CD1 3.9Å; P493-F507 HydrophobicContact CB-CE1 4.15Å; P493-F507 HydrophobicContact CB-CG 4.36Å; P493-F507 HydrophobicContact CG-CD1 4.17Å; P493-F507 HydrophobicContact CG-CE1 4.31Å; I498-F507 HydrophobicContact CD1-CD2 4.4Å; I498-F507 HydrophobicContact CG1-CD2 4.11Å; I498-F507 HydrophobicContact CG1-CE2 4.36Å; I498-F507 HydrophobicContact CG2-CB 4.06Å; I498-F507 HydrophobicContact CG2-CD2 4.37Å; I498-F507 HydrophobicContact CG2-CG 4.45Å; T504-F507 PolarHBondContact N-O 3.04Å; T504-F507 VanDerWaalsContact N-O 3.13Å; T504-F507 CarbonylContact O-C 3.3Å; T504-F507 PolarHBondContact O-N 3.14Å; T504-F507 VanDerWaalsContact O-N 3.12Å; T504-F507 PolarHBondContact OG1-N 3.08Å; F507-C509 PolarHBondContact O-N 3.07Å; F507-F511 HydrophobicContact CB-CZ 4.42Å
508	P	89.3	Confident	93.2	Very high	62 Å²	62	40 Å²	40	40%	0.403	22%	0.224	S	C	.	.			trans	-76.4	33.6	-175.4	32.8	-38	0	0	0	113.3	N131 T504 L506	N131-P508 WeakPolarHBondContact OD1-CG 3.45Å; T504-P508 WeakPolarHBondContact O-CA 3.4Å; L506-P508 VanDerWaalsContact C-CD 3.46Å
509	C	87.8	Confident	93.3	Very high	14 Å²	14	39.5 Å²	39.5	10%	0.095	22%	0.221	C	C	.	.			trans	-79.8	139.7	-178.5	-113.5	0	0	0	0	111.7	C475 P503 F507 F511	C475-C509 HydrophobicContact CB-CB 3.55Å; C475-C509 WeakPolarHBondContact CB-SG 3.31Å; C475-C509 WeakPolarHBondContact SG-CB 3.41Å; C475-C509 CovalentContact SG-SG 2.02Å; C475-C509 PolarHBondContact SG-SG 3.1Å; P503-C509 WeakPolarHBondContact CG-O 3.14Å; F507-C509 PolarHBondContact O-N 3.07Å; C509-F511 HydrophobicContact CB-CD1 4.18Å; C509-F511 HydrophobicContact CB-CD2 4.4Å; C509-F511 HydrophobicContact CB-CE1 3.67Å; C509-F511 HydrophobicContact CB-CE2 3.9Å; C509-F511 HydrophobicContact CB-CZ 3.52Å; C509-F511 VanDerWaalsContact O-CD2 3.27Å; C509-F511 WeakPolarHBondContact O-CD2 3.11Å; C509-F511 PolarHBondContact O-N 2.93Å
510	N	89.3	Confident	93.3	Very high	119 Å²	119	39.1 Å²	39.1	64%	0.636	22%	0.219	S	C	*	.	B	Isolated β-bridge	trans	-81.9	82	176.6	-171	9.4	0	0	0	110.7	Q476 S512	Q476-N510 PolarHBondContact O-N 3.23Å; N510-S512 PolarHBondContact O-N 2.97Å
511	F	93.6	Very high	93.5	Very high	24 Å²	24	38 Å²	38	11%	0.105	21%	0.213	C	C	.	.			trans	-67.8	121.8	-176	-61.4	-65.9	0	0	0	112.6	C475 P493 I498 P499 F507 C509 D515	C475-F511 HydrophobicContact CB-CD1 3.72Å; C475-F511 HydrophobicContact CB-CE1 3.59Å; P493-F511 HydrophobicContact CB-CE1 4.4Å; P493-F511 HydrophobicContact CB-CZ 4.13Å; I498-F511 HydrophobicContact CB-CE2 4.48Å; I498-F511 HydrophobicContact CB-CZ 4.44Å; I498-F511 HydrophobicContact CG2-CE2 3.78Å; I498-F511 HydrophobicContact CG2-CZ 4.1Å; P499-F511 HydrophobicContact CB-CB 4.1Å; P499-F511 HydrophobicContact CB-CD1 4.11Å; P499-F511 HydrophobicContact CB-CG 4.04Å; P499-F511 HydrophobicContact CG-CD1 3.64Å; P499-F511 HydrophobicContact CG-CE1 3.85Å; P499-F511 HydrophobicContact CG-CG 4.03Å; P499-F511 HydrophobicContact CG-CZ 4.43Å; F507-F511 HydrophobicContact CB-CZ 4.42Å; C509-F511 HydrophobicContact CB-CD1 4.18Å; C509-F511 HydrophobicContact CB-CD2 4.4Å; C509-F511 HydrophobicContact CB-CE1 3.67Å; C509-F511 HydrophobicContact CB-CE2 3.9Å; C509-F511 HydrophobicContact CB-CZ 3.52Å; C509-F511 VanDerWaalsContact O-CD2 3.27Å; C509-F511 WeakPolarHBondContact O-CD2 3.11Å; C509-F511 PolarHBondContact O-N 2.93Å; F511-D515 HydrophobicContact CB-CB 4.18Å; F511-D515 HydrophobicContact CD1-CB 4.08Å
512	S	94.6	Very high	93.8	Very high	48 Å²	48	35.5 Å²	35.5	34%	0.336	20%	0.2	S	C	.	.			trans	-85.9	169.2	175.6	84.1	0	0	0	0	111.8	N510 N514 D515 V516	N510-S512 PolarHBondContact O-N 2.97Å; S512-N514 PolarHBondContact O-N 2.78Å; S512-N514 VanDerWaalsContact O-N 3.08Å; S512-N514 PolarHBondContact OG-N 2.88Å; S512-N514 VanDerWaalsContact OG-N 3.1Å; S512-D515 WeakPolarHBondContact CA-OD2 3.25Å; S512-D515 WeakPolarHBondContact CB-OD2 3.25Å; S512-D515 PolarHBondContact N-OD2 2.66Å; S512-D515 WeakPolarHBondContact O-CA 3.13Å; S512-D515 WeakPolarHBondContact O-CB 3.42Å; S512-D515 PolarHBondContact O-N 2.78Å; S512-D515 PolarHBondContact OG-OD2 3.25Å; S512-V516 PolarHBondContact O-N 3.11Å
513	K	94	Very high	94.1	Very high	131 Å²	131	34.7 Å²	34.7	57%	0.57	19%	0.193	S	C	*	.	H	α-helix	trans	-61.2	-15.6	171.5	-63.6	-167.4	176.9	-170.7	0	114.4	M517 T548 K549	K513-M517 PolarHBondContact O-N 3.12Å; K513-T548 WeakPolarHBondContact CB-OG1 3.43Å; K513-K549 HydrophobicContact CB-CG 3.86Å; K513-K549 WeakPolarHBondContact O-CG 3.49Å
514	N	95.3	Very high	94.4	Very high	39 Å²	39	31 Å²	31	21%	0.209	17%	0.168	C	C	.	.	H	α-helix	trans	-78.6	-30.7	170.2	-60.8	-62.6	0	0	0	111.6	S512 M517 L518 R552 L573	S512-N514 PolarHBondContact O-N 2.78Å; S512-N514 VanDerWaalsContact O-N 3.08Å; S512-N514 PolarHBondContact OG-N 2.88Å; S512-N514 VanDerWaalsContact OG-N 3.1Å; N514-M517 PolarHBondContact O-N 3.22Å; N514-L518 WeakPolarHBondContact O-CB 3.46Å; N514-L518 PolarHBondContact O-N 2.79Å; N514-R552 PolarHBondContact OD1-NH2 2.9Å; N514-L573 HydrophobicContact CB-CD1 4.16Å; N514-L573 HydrophobicContact CB-CD2 3.83Å
515	D	96.4	Very high	94.7	Very high	7 Å²	7	29 Å²	29	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-72.3	-39.3	178.5	-57.8	-85.4	0	0	0	111.4	H473 Y494 P499 F511 S512 M517 L518 S519	H473-D515 IonicContact CD2-OD1 2.62Å; H473-D515 IonicContact CE1-OD1 3.88Å; H473-D515 IonicContact NE2-OD1 3.6Å; H473-D515 PolarHBondContact NE2-OD1 3.19Å; Y494-D515 HydrophobicContact CE1-CB 3.8Å; Y494-D515 WeakPolarHBondContact CE1-OD1 3.49Å; Y494-D515 PolarHBondContact OH-OD1 3.31Å; P499-D515 HydrophobicContact CB-CB 4.17Å; P499-D515 HydrophobicContact CG-CB 4.23Å; F511-D515 HydrophobicContact CB-CB 4.18Å; F511-D515 HydrophobicContact CD1-CB 4.08Å; S512-D515 WeakPolarHBondContact CA-OD2 3.25Å; S512-D515 WeakPolarHBondContact CB-OD2 3.25Å; S512-D515 PolarHBondContact N-OD2 2.66Å; S512-D515 WeakPolarHBondContact O-CA 3.13Å; S512-D515 WeakPolarHBondContact O-CB 3.42Å; S512-D515 PolarHBondContact O-N 2.78Å; S512-D515 PolarHBondContact OG-OD2 3.25Å; D515-M517 VanDerWaalsContact C-N 3.34Å; D515-M517 PolarHBondContact O-N 3.46Å; D515-L518 PolarHBondContact O-N 3.32Å; D515-S519 VanDerWaalsContact O-CB 3.31Å; D515-S519 WeakPolarHBondContact O-CB 3.48Å; D515-S519 PolarHBondContact O-N 3.07Å
516	V	95.6	Very high	95.1	Very high	18 Å²	18	23 Å²	23	11%	0.109	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-46.6	170.5	-172.3	0	0	0	0	111.1	P499 M500 S512 A520 I546 T548	P499-V516 HydrophobicContact CB-CG2 4.27Å; P499-V516 WeakPolarHBondContact O-CG2 3.24Å; M500-V516 HydrophobicContact CG-CG1 4.3Å; S512-V516 PolarHBondContact O-N 3.11Å; V516-A520 WeakPolarHBondContact O-CB 3.48Å; V516-A520 PolarHBondContact O-N 3.38Å; V516-I546 WeakPolarHBondContact CG1-O 3.43Å; V516-T548 HydrophobicContact CG1-CG2 3.95Å
517	M	95.6	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-45.5	176.5	-178.5	-78.7	-52.4	0	0	111.8	K513 N514 D515 A520 V521 H547 K549 R552 L573	K513-M517 PolarHBondContact O-N 3.12Å; N514-M517 PolarHBondContact O-N 3.22Å; D515-M517 VanDerWaalsContact C-N 3.34Å; D515-M517 PolarHBondContact O-N 3.46Å; M517-A520 PolarHBondContact O-N 2.7Å; M517-V521 VanDerWaalsContact O-CG2 3.31Å; M517-V521 WeakPolarHBondContact O-CG2 3.37Å; M517-V521 PolarHBondContact O-N 3.24Å; M517-V521 VanDerWaalsContact O-N 3.07Å; M517-V521 HydrophobicContact SD-CG2 3.94Å; M517-H547 HydrophobicContact CB-CB 4.3Å; M517-H547 HydrophobicContact CG-CB 4.22Å; M517-H547 PolarHBondContact N-O 3.02Å; M517-K549 HydrophobicContact CB-CB 4.18Å; M517-K549 HydrophobicContact CG-CB 4.32Å; M517-R552 HydrophobicContact CE-CG 4Å; M517-R552 HydrophobicContact SD-CG 4.36Å; M517-L573 HydrophobicContact CE-CD2 4.21Å
518	L	97.1	Very high	95.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.5	-38.9	180	-172.8	65.8	0	0	0	112.2	F471 H473 Y494 N514 D515 V521 V522 F553 I571	F471-L518 HydrophobicContact CZ-CD2 4.26Å; H473-L518 HydrophobicContact CB-CD2 3.65Å; H473-L518 WeakPolarHBondContact CD2-CD2 3.42Å; Y494-L518 HydrophobicContact CD1-CB 4.23Å; Y494-L518 HydrophobicContact CD1-CD2 4.1Å; Y494-L518 HydrophobicContact CD1-CG 4.24Å; Y494-L518 HydrophobicContact CE1-CB 4.43Å; Y494-L518 HydrophobicContact CE1-CD2 4.09Å; N514-L518 WeakPolarHBondContact O-CB 3.46Å; N514-L518 PolarHBondContact O-N 2.79Å; D515-L518 PolarHBondContact O-N 3.32Å; L518-V521 WeakPolarHBondContact O-CB 3.48Å; L518-V521 PolarHBondContact O-N 2.97Å; L518-V522 HydrophobicContact CG-CG2 4.43Å; L518-V522 WeakPolarHBondContact O-CB 3.49Å; L518-V522 VanDerWaalsContact O-CG2 3.28Å; L518-V522 WeakPolarHBondContact O-CG2 3.49Å; L518-V522 PolarHBondContact O-N 3.3Å; L518-F553 HydrophobicContact CD1-CE2 3.75Å; L518-F553 HydrophobicContact CD1-CZ 3.65Å; L518-I571 HydrophobicContact CD1-CG2 3.91Å
519	S	97.8	Very high	96.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-40.8	175.9	177.6	0	0	0	0	112	Y494 G497 D515 V521 V522 M523	Y494-S519 PolarHBondContact O-OG 3.31Å; G497-S519 VanDerWaalsContact CA-OG 3.31Å; G497-S519 WeakPolarHBondContact CA-OG 3.2Å; D515-S519 VanDerWaalsContact O-CB 3.31Å; D515-S519 WeakPolarHBondContact O-CB 3.48Å; D515-S519 PolarHBondContact O-N 3.07Å; S519-V521 VanDerWaalsContact C-N 3.32Å; S519-V521 PolarHBondContact O-N 3.26Å; S519-V522 PolarHBondContact O-N 3.12Å; S519-M523 WeakPolarHBondContact O-CB 3.33Å; S519-M523 WeakPolarHBondContact O-CG 3.34Å; S519-M523 PolarHBondContact O-N 3.08Å
520	A	97	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.3	-42.9	171.3	0	0	0	0	0	112.4	Y192 M500 V516 M517 T524 H547	Y192-A520 HydrophobicContact CE2-CB 4.07Å; Y192-A520 PolarHBondContact OH-O 3.29Å; Y192-A520 VanDerWaalsContact OH-O 3.05Å; M500-A520 HydrophobicContact CE-CB 3.52Å; V516-A520 WeakPolarHBondContact O-CB 3.48Å; V516-A520 PolarHBondContact O-N 3.38Å; M517-A520 PolarHBondContact O-N 2.7Å; A520-T524 WeakPolarHBondContact O-CB 3.29Å; A520-T524 PolarHBondContact O-N 2.92Å; A520-T524 PolarHBondContact O-OG1 3.18Å; A520-H547 WeakPolarHBondContact CB-CD2 3.34Å
521	V	97.4	Very high	97.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.8	-48.9	175.5	167.2	0	0	0	0	111.8	M517 L518 S519 T524 Y525 Q541 N551 F553	M517-V521 VanDerWaalsContact O-CG2 3.31Å; M517-V521 WeakPolarHBondContact O-CG2 3.37Å; M517-V521 PolarHBondContact O-N 3.24Å; M517-V521 VanDerWaalsContact O-N 3.07Å; M517-V521 HydrophobicContact SD-CG2 3.94Å; L518-V521 WeakPolarHBondContact O-CB 3.48Å; L518-V521 PolarHBondContact O-N 2.97Å; S519-V521 VanDerWaalsContact C-N 3.32Å; S519-V521 PolarHBondContact O-N 3.26Å; V521-T524 WeakPolarHBondContact O-CB 3.35Å; V521-T524 PolarHBondContact O-N 2.98Å; V521-Y525 HydrophobicContact CG1-CD2 3.7Å; V521-Y525 HydrophobicContact CG1-CE2 3.42Å; V521-Y525 VanDerWaalsContact CG1-CE2 3.42Å; V521-Y525 WeakPolarHBondContact O-CD2 3.11Å; V521-Y525 PolarHBondContact O-N 3.33Å; V521-Q541 PolarHBondContact O-NE2 3.39Å; V521-Q541 VanDerWaalsContact O-NE2 3.07Å; V521-N551 WeakPolarHBondContact CG2-ND2 3.35Å; V521-N551 WeakPolarHBondContact CG2-OD1 3.34Å; V521-F553 HydrophobicContact CB-CD2 4.14Å; V521-F553 HydrophobicContact CB-CE2 4.24Å; V521-F553 HydrophobicContact CG1-CB 4.19Å; V521-F553 HydrophobicContact CG1-CD1 3.71Å; V521-F553 HydrophobicContact CG1-CD2 3.58Å; V521-F553 HydrophobicContact CG1-CE1 3.78Å; V521-F553 HydrophobicContact CG1-CE2 3.7Å; V521-F553 HydrophobicContact CG1-CG 3.59Å; V521-F553 HydrophobicContact CG1-CZ 3.77Å; V521-F553 HydrophobicContact CG2-CB 4.38Å; V521-F553 HydrophobicContact CG2-CD2 3.58Å; V521-F553 HydrophobicContact CG2-CE2 4.02Å; V521-F553 HydrophobicContact CG2-CG 4.14Å
522	V	98.5	Very high	97.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.6	-50.9	-178.9	168.7	0	0	0	0	110.3	F471 V495 L518 S519 T524 Y525 W526 I571	F471-V522 HydrophobicContact CE2-CG2 4.05Å; V495-V522 HydrophobicContact CB-CG1 4.33Å; V495-V522 HydrophobicContact CG2-CG1 3.6Å; L518-V522 HydrophobicContact CG-CG2 4.43Å; L518-V522 WeakPolarHBondContact O-CB 3.49Å; L518-V522 VanDerWaalsContact O-CG2 3.28Å; L518-V522 WeakPolarHBondContact O-CG2 3.49Å; L518-V522 PolarHBondContact O-N 3.3Å; S519-V522 PolarHBondContact O-N 3.12Å; V522-T524 VanDerWaalsContact C-N 3.25Å; V522-T524 PolarHBondContact O-N 3.03Å; V522-Y525 PolarHBondContact O-N 3.25Å; V522-Y525 VanDerWaalsContact O-N 3.16Å; V522-W526 HydrophobicContact CG1-CD2 4.05Å; V522-W526 HydrophobicContact CG1-CE3 3.82Å; V522-W526 HydrophobicContact CG1-CH2 4.31Å; V522-W526 HydrophobicContact CG1-CZ3 3.96Å; V522-W526 WeakPolarHBondContact O-CB 3.43Å; V522-W526 VanDerWaalsContact O-CE3 3.28Å; V522-W526 PolarHBondContact O-N 3.34Å; V522-I571 HydrophobicContact CG2-CG2 4.12Å
523	M	98.6	Very high	97.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-32.4	175.6	-68.2	-164.9	-68.3	0	0	112.7	V188 L189 Y192 V495 G497 M500 S519 T527	V188-M523 HydrophobicContact CG1-CE 4.25Å; V188-M523 HydrophobicContact CG1-SD 4.44Å; L189-M523 HydrophobicContact CB-SD 4.2Å; L189-M523 HydrophobicContact CD1-CB 4.15Å; L189-M523 HydrophobicContact CD1-CG 3.87Å; L189-M523 HydrophobicContact CD1-SD 3.99Å; Y192-M523 HydrophobicContact CD1-CB 3.59Å; Y192-M523 HydrophobicContact CD1-CE 3.92Å; Y192-M523 HydrophobicContact CD1-SD 4.33Å; Y192-M523 HydrophobicContact CD2-CE 3.9Å; Y192-M523 HydrophobicContact CE1-CB 3.76Å; Y192-M523 HydrophobicContact CE1-CE 4.48Å; Y192-M523 HydrophobicContact CE2-CE 4.46Å; Y192-M523 HydrophobicContact CG-CB 4.44Å; Y192-M523 HydrophobicContact CG-CE 3.62Å; Y192-M523 HydrophobicContact CG-SD 4.33Å; V495-M523 VanDerWaalsContact O-CG 3.31Å; V495-M523 WeakPolarHBondContact O-CG 3.38Å; G497-M523 VanDerWaalsContact CA-SD 3.54Å; M500-M523 HydrophobicContact CE-CE 3.33Å; M500-M523 HydrophobicContact CG-CE 4.47Å; M500-M523 HydrophobicContact SD-CE 3.59Å; M500-M523 VanDerWaalsContact SD-CE 3.59Å; S519-M523 WeakPolarHBondContact O-CB 3.33Å; S519-M523 WeakPolarHBondContact O-CG 3.34Å; S519-M523 PolarHBondContact O-N 3.08Å; M523-T527 VanDerWaalsContact O-CB 3.3Å; M523-T527 WeakPolarHBondContact O-CB 3.17Å; M523-T527 WeakPolarHBondContact O-CG2 3.26Å; M523-T527 PolarHBondContact O-N 2.85Å; M523-T527 PolarHBondContact O-OG1 3.12Å
524	T	98.3	Very high	97.6	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.031	5%	0.052	C	C	.	.	H	α-helix	trans	-62.8	-52.7	171.9	-65.8	0	0	0	0	110.8	Y192 A520 V521 V522 N528 V539	Y192-T524 PolarHBondContact OH-OG1 2.73Å; A520-T524 WeakPolarHBondContact O-CB 3.29Å; A520-T524 PolarHBondContact O-N 2.92Å; A520-T524 PolarHBondContact O-OG1 3.18Å; V521-T524 WeakPolarHBondContact O-CB 3.35Å; V521-T524 PolarHBondContact O-N 2.98Å; V522-T524 VanDerWaalsContact C-N 3.25Å; V522-T524 PolarHBondContact O-N 3.03Å; T524-N528 WeakPolarHBondContact O-CB 3.33Å; T524-N528 PolarHBondContact O-N 2.93Å; T524-N528 PolarHBondContact O-ND2 2.88Å; T524-V539 HydrophobicContact CG2-CB 4.21Å; T524-V539 HydrophobicContact CG2-CG1 4.23Å
525	Y	98.7	Very high	97.7	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-62.2	-45.7	179.3	-71.7	-54.8	0	0	0	112.8	V521 V522 F529 P535 Q541 F553 V556 W558 L569	V521-Y525 HydrophobicContact CG1-CD2 3.7Å; V521-Y525 HydrophobicContact CG1-CE2 3.42Å; V521-Y525 VanDerWaalsContact CG1-CE2 3.42Å; V521-Y525 WeakPolarHBondContact O-CD2 3.11Å; V521-Y525 PolarHBondContact O-N 3.33Å; V522-Y525 PolarHBondContact O-N 3.25Å; V522-Y525 VanDerWaalsContact O-N 3.16Å; Y525-F529 WeakPolarHBondContact O-CB 3.46Å; Y525-F529 PolarHBondContact O-N 3.27Å; Y525-P535 HydrophobicContact CD1-CB 3.96Å; Y525-P535 WeakPolarHBondContact CD1-O 3.29Å; Y525-P535 HydrophobicContact CG-CB 4.45Å; Y525-Q541 VanDerWaalsContact CD2-NE2 3.33Å; Y525-Q541 HydrophobicContact CE1-CG 4.04Å; Y525-Q541 VanDerWaalsContact CE2-NE2 3.31Å; Y525-F553 AromaticContact CE2-CD1 3.73Å; Y525-F553 HydrophobicContact CE2-CD1 3.73Å; Y525-F553 HydrophobicContact CE2-CE1 4.09Å; Y525-F553 HydrophobicContact CE2-CG 4.45Å; Y525-F553 WeakPolarHBondContact OH-CD1 3.19Å; Y525-V556 PolarHBondContact OH-O 3.25Å; Y525-W558 AromaticContact CD1-CE3 3.92Å; Y525-W558 HydrophobicContact CD1-CE3 3.92Å; Y525-W558 HydrophobicContact CD2-CE3 4.23Å; Y525-W558 HydrophobicContact CD2-CZ3 4.42Å; Y525-W558 HydrophobicContact CE1-CB 4.29Å; Y525-W558 HydrophobicContact CE1-CE3 4.36Å; Y525-W558 AromaticContact CG-CE3 3.86Å; Y525-W558 HydrophobicContact CG-CE3 3.86Å; Y525-W558 HydrophobicContact CG-CZ3 4.11Å; Y525-L569 HydrophobicContact CD2-CD2 4.17Å; Y525-L569 HydrophobicContact CE2-CD2 3.63Å
526	W	98.8	Very high	97.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.8	-46.6	179.9	-93.4	-124.8	0	0	0	111.6	M168 I276 Q278 M367 Y469 V495 V522 F529 A530 W558 I571	M168-W526 HydrophobicContact CE-CB 4.31Å; I276-W526 HydrophobicContact CD1-CB 4.38Å; I276-W526 HydrophobicContact CD1-CG 4Å; I276-W526 HydrophobicContact CG2-CZ2 4.45Å; Q278-W526 HydrophobicContact CG-CZ2 4.33Å; M367-W526 HydrophobicContact SD-CD2 4.01Å; M367-W526 HydrophobicContact SD-CE3 3.93Å; M367-W526 HydrophobicContact SD-CH2 4.24Å; M367-W526 HydrophobicContact SD-CZ2 4.31Å; M367-W526 HydrophobicContact SD-CZ3 4.05Å; Y469-W526 AromaticContact CD1-CH2 3.94Å; Y469-W526 HydrophobicContact CD1-CH2 3.94Å; Y469-W526 HydrophobicContact CD1-CZ2 4.49Å; Y469-W526 AromaticContact CE1-CH2 3.76Å; Y469-W526 HydrophobicContact CE1-CH2 3.76Å; Y469-W526 AromaticContact CE1-CZ2 3.89Å; Y469-W526 HydrophobicContact CE1-CZ2 3.89Å; Y469-W526 HydrophobicContact CG-CH2 4.44Å; V495-W526 HydrophobicContact CG1-CG 4.4Å; V495-W526 HydrophobicContact CG2-CD2 4.4Å; V495-W526 HydrophobicContact CG2-CZ2 3.96Å; V522-W526 HydrophobicContact CG1-CD2 4.05Å; V522-W526 HydrophobicContact CG1-CE3 3.82Å; V522-W526 HydrophobicContact CG1-CH2 4.31Å; V522-W526 HydrophobicContact CG1-CZ3 3.96Å; V522-W526 WeakPolarHBondContact O-CB 3.43Å; V522-W526 VanDerWaalsContact O-CE3 3.28Å; V522-W526 PolarHBondContact O-N 3.34Å; W526-F529 PolarHBondContact O-N 2.91Å; W526-A530 PolarHBondContact O-N 3.4Å; W526-W558 HydrophobicContact CZ3-CH2 4.14Å; W526-W558 HydrophobicContact CZ3-CZ3 4Å; W526-I571 HydrophobicContact CH2-CD1 4.05Å; W526-I571 HydrophobicContact CZ3-CD1 3.97Å
527	T	98.6	Very high	97.7	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.012	7%	0.071	C	C	.	.	H	α-helix	trans	-76.5	-30.7	-178.1	67.1	0	0	0	0	112.4	M168 L189 V195 M523 A530 K531	M168-T527 HydrophobicContact SD-CG2 4.01Å; L189-T527 HydrophobicContact CD1-CG2 3.56Å; V195-T527 HydrophobicContact CG1-CG2 4.33Å; V195-T527 HydrophobicContact CG2-CG2 4.04Å; M523-T527 VanDerWaalsContact O-CB 3.3Å; M523-T527 WeakPolarHBondContact O-CB 3.17Å; M523-T527 WeakPolarHBondContact O-CG2 3.26Å; M523-T527 PolarHBondContact O-N 2.85Å; M523-T527 PolarHBondContact O-OG1 3.12Å; T527-A530 PolarHBondContact O-N 3.47Å; T527-K531 WeakPolarHBondContact O-CB 3.13Å; T527-K531 WeakPolarHBondContact O-CD 3.31Å; T527-K531 WeakPolarHBondContact O-CG 3.3Å; T527-K531 PolarHBondContact O-N 3.16Å; T527-K531 PolarHBondContact OG1-NZ 3.22Å
528	N	98.5	Very high	97.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-47.3	168.8	-85.7	-10.9	0	0	0	111.7	T524 A530 K531 T532 D534 P535 K537 P538 V539	T524-N528 WeakPolarHBondContact O-CB 3.33Å; T524-N528 PolarHBondContact O-N 2.93Å; T524-N528 PolarHBondContact O-ND2 2.88Å; N528-A530 PolarHBondContact O-N 3.09Å; N528-K531 WeakPolarHBondContact O-CB 3.34Å; N528-K531 PolarHBondContact O-N 3.1Å; N528-K531 VanDerWaalsContact O-N 3.15Å; N528-T532 PolarHBondContact O-N 3.12Å; N528-T532 PolarHBondContact O-OG1 3.12Å; N528-T532 VanDerWaalsContact O-OG1 3.05Å; N528-D534 CarbonylContact C-O 3.58Å; N528-P535 WeakPolarHBondContact CB-O 3.4Å; N528-P535 PolarHBondContact ND2-O 2.94Å; N528-K537 CarbonylContact C-O 3.51Å; N528-K537 VanDerWaalsContact C-O 3.31Å; N528-K537 WeakPolarHBondContact CA-O 3.31Å; N528-K537 WeakPolarHBondContact CB-O 3.28Å; N528-K537 VanDerWaalsContact CG-O 3.26Å; N528-K537 VanDerWaalsContact OD1-C 3.31Å; N528-K537 PolarHBondContact OD1-O 2.71Å; N528-P538 WeakPolarHBondContact OD1-CD 3.42Å; N528-V539 PolarHBondContact ND2-O 3.47Å; N528-V539 WeakPolarHBondContact OD1-CB 3.43Å; N528-V539 PolarHBondContact OD1-N 3.21Å
529	F	98.8	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-46	175.4	-178.2	-104.8	0	0	0	111.3	R274 A275 I276 D365 M367 Y467 Y525 W526 K531 T532 G533 P535	R274-F529 HydrophobicContact CB-CE1 3.91Å; R274-F529 HydrophobicContact CB-CZ 4.3Å; R274-F529 WeakPolarHBondContact CD-O 3.37Å; R274-F529 PolarHBondContact NE-O 2.79Å; A275-F529 WeakPolarHBondContact O-CE1 3.31Å; I276-F529 HydrophobicContact CD1-CD1 3.88Å; I276-F529 HydrophobicContact CD1-CE1 4.46Å; I276-F529 HydrophobicContact CG1-CD1 3.69Å; I276-F529 HydrophobicContact CG1-CE1 3.75Å; D365-F529 HydrophobicContact CB-CE2 3.82Å; D365-F529 HydrophobicContact CB-CZ 3.68Å; D365-F529 WeakPolarHBondContact O-CZ 2.97Å; M367-F529 HydrophobicContact CB-CD1 4.13Å; M367-F529 HydrophobicContact CB-CD2 4.49Å; M367-F529 HydrophobicContact CB-CE1 3.85Å; M367-F529 HydrophobicContact CB-CE2 4.23Å; M367-F529 HydrophobicContact CB-CG 4.43Å; M367-F529 HydrophobicContact CB-CZ 3.89Å; M367-F529 HydrophobicContact CE-CB 3.6Å; M367-F529 HydrophobicContact CE-CD1 4.2Å; M367-F529 HydrophobicContact CE-CD2 4.14Å; M367-F529 HydrophobicContact CE-CG 3.73Å; Y467-F529 HydrophobicContact CD2-CD2 4.34Å; Y467-F529 AromaticContact CD2-CE2 4Å; Y467-F529 HydrophobicContact CD2-CE2 4Å; Y467-F529 HydrophobicContact CE2-CE2 4.34Å; Y525-F529 WeakPolarHBondContact O-CB 3.46Å; Y525-F529 PolarHBondContact O-N 3.27Å; W526-F529 PolarHBondContact O-N 2.91Å; F529-K531 VanDerWaalsContact C-N 3.31Å; F529-K531 PolarHBondContact O-N 3.34Å; F529-T532 PolarHBondContact O-N 2.83Å; F529-G533 WeakPolarHBondContact O-CA 3.48Å; F529-G533 PolarHBondContact O-N 2.91Å; F529-P535 HydrophobicContact CB-CB 4.31Å
530	A	98.6	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-39.9	173.9	0	0	0	0	0	113.1	M168 T248 R274 W526 T527 N528	M168-A530 HydrophobicContact CE-CB 4.34Å; M168-A530 HydrophobicContact CG-CB 3.63Å; M168-A530 HydrophobicContact SD-CB 3.73Å; T248-A530 HydrophobicContact CG2-CB 4.31Å; T248-A530 WeakPolarHBondContact OG1-CA 3.21Å; R274-A530 PolarHBondContact NH1-O 3.15Å; W526-A530 PolarHBondContact O-N 3.4Å; T527-A530 PolarHBondContact O-N 3.47Å; N528-A530 PolarHBondContact O-N 3.09Å
531	K	97.3	Very high	96.6	Very high	29 Å²	29	23.8 Å²	23.8	13%	0.126	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-37.8	178.1	-73.8	155.9	-167.2	159.1	0	113.7	P166 G193 R246 T527 N528 F529 P538	P166-K531 HydrophobicContact CB-CG 4.49Å; P166-K531 HydrophobicContact CG-CB 4.24Å; P166-K531 HydrophobicContact CG-CG 3.55Å; G193-K531 WeakPolarHBondContact O-CE 3.41Å; G193-K531 PolarHBondContact O-NZ 3.05Å; R246-K531 PolarHBondContact NH1-O 2.87Å; T527-K531 WeakPolarHBondContact O-CB 3.13Å; T527-K531 WeakPolarHBondContact O-CD 3.31Å; T527-K531 WeakPolarHBondContact O-CG 3.3Å; T527-K531 PolarHBondContact O-N 3.16Å; T527-K531 PolarHBondContact OG1-NZ 3.22Å; N528-K531 WeakPolarHBondContact O-CB 3.34Å; N528-K531 PolarHBondContact O-N 3.1Å; N528-K531 VanDerWaalsContact O-N 3.15Å; F529-K531 VanDerWaalsContact C-N 3.31Å; F529-K531 PolarHBondContact O-N 3.34Å; K531-P538 HydrophobicContact CD-CG 4.18Å
532	T	97.3	Very high	95.9	Very high	61 Å²	61	27.5 Å²	27.5	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-141	-14.2	-162.2	69.5	0	0	0	0	117.7	N528 F529 D534 K537	N528-T532 PolarHBondContact O-N 3.12Å; N528-T532 PolarHBondContact O-OG1 3.12Å; N528-T532 VanDerWaalsContact O-OG1 3.05Å; F529-T532 PolarHBondContact O-N 2.83Å; T532-D534 VanDerWaalsContact C-N 3.26Å; T532-D534 PolarHBondContact OG1-N 2.78Å; T532-D534 VanDerWaalsContact OG1-N 3.12Å; T532-D534 PolarHBondContact OG1-O 2.7Å; T532-D534 VanDerWaalsContact OG1-O 3.07Å; T532-K537 HydrophobicContact CG2-CB 4.27Å; T532-K537 WeakPolarHBondContact CG2-O 3.44Å; T532-K537 PolarHBondContact OG1-O 3.47Å
533	G	97.5	Very high	95	Very high	5 Å²	5	30.6 Å²	30.6	5%	0.052	17%	0.172	C	C	.	.	S	Bend	trans	81.6	0.7	-168.4	0	0	0	0	0	114.4	D365 Y467 F529	D365-G533 VanDerWaalsContact OD2-CA 3.3Å; D365-G533 WeakPolarHBondContact OD2-CA 2.95Å; Y467-G533 VanDerWaalsContact CE2-O 3.31Å; Y467-G533 WeakPolarHBondContact CE2-O 3.35Å; F529-G533 WeakPolarHBondContact O-CA 3.48Å; F529-G533 PolarHBondContact O-N 2.91Å
534	D	98.1	Very high	94.1	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	19%	0.191	C	C	.	.			trans	-127.4	115.2	176.9	-175.5	-9.2	0	0	0	109.4	Y467 N528 T532 N536 K537	Y467-D534 PolarHBondContact OH-OD1 2.96Å; N528-D534 CarbonylContact C-O 3.58Å; T532-D534 VanDerWaalsContact C-N 3.26Å; T532-D534 PolarHBondContact OG1-N 2.78Å; T532-D534 VanDerWaalsContact OG1-N 3.12Å; T532-D534 PolarHBondContact OG1-O 2.7Å; T532-D534 VanDerWaalsContact OG1-O 3.07Å; D534-N536 PolarHBondContact O-N 3.47Å; D534-N536 WeakPolarHBondContact OD1-CB 3.49Å; D534-N536 PolarHBondContact OD1-N 3.44Å; D534-N536 PolarHBondContact OD1-ND2 3.25Å; D534-K537 HydrophobicContact CB-CB 4.39Å; D534-K537 HydrophobicContact CB-CG 4.42Å; D534-K537 PolarHBondContact O-N 3.31Å; D534-K537 IonicContact OD2-NZ 2.64Å; D534-K537 PolarHBondContact OD2-NZ 2.99Å
535	P	98.1	Very high	92.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.7	-179.2	27.8	-34.2	0	0	0	112.7	M367 Y467 Y525 N528 F529 W558	M367-P535 HydrophobicContact CE-CB 3.74Å; M367-P535 HydrophobicContact CE-CG 4.27Å; Y467-P535 HydrophobicContact CD1-CG 3.61Å; Y467-P535 HydrophobicContact CE1-CG 3.7Å; Y467-P535 HydrophobicContact CG-CG 4.02Å; Y525-P535 HydrophobicContact CD1-CB 3.96Å; Y525-P535 WeakPolarHBondContact CD1-O 3.29Å; Y525-P535 HydrophobicContact CG-CB 4.45Å; N528-P535 WeakPolarHBondContact CB-O 3.4Å; N528-P535 PolarHBondContact ND2-O 2.94Å; F529-P535 HydrophobicContact CB-CB 4.31Å; P535-W558 HydrophobicContact CB-CD2 4.38Å; P535-W558 HydrophobicContact CB-CE3 3.75Å; P535-W558 HydrophobicContact CB-CZ3 4.19Å; P535-W558 HydrophobicContact CG-CB 4.15Å; P535-W558 HydrophobicContact CG-CD2 3.9Å; P535-W558 HydrophobicContact CG-CE3 3.79Å; P535-W558 HydrophobicContact CG-CG 4.1Å; P535-W558 HydrophobicContact CG-CZ3 4.48Å
536	N	97.1	Very high	91.4	Very high	47 Å²	47	45.1 Å²	45.1	25%	0.251	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2	177.5	-51.8	-81.7	0	0	0	113.9	D534 A557 W558	D534-N536 PolarHBondContact O-N 3.47Å; D534-N536 WeakPolarHBondContact OD1-CB 3.49Å; D534-N536 PolarHBondContact OD1-N 3.44Å; D534-N536 PolarHBondContact OD1-ND2 3.25Å; N536-A557 WeakPolarHBondContact OD1-CA 3.47Å; N536-W558 PolarHBondContact ND2-O 3.41Å; N536-W558 PolarHBondContact OD1-N 3.29Å
537	K	94	Very high	90.1	Very high	114 Å²	114	45.2 Å²	45.2	50%	0.496	24%	0.236	S	C	.	.	S	Bend	trans	-140.1	143.6	-171.4	-59.5	-168.8	-176.4	90.7	0	114	N528 T532 D534	N528-K537 CarbonylContact C-O 3.51Å; N528-K537 VanDerWaalsContact C-O 3.31Å; N528-K537 WeakPolarHBondContact CA-O 3.31Å; N528-K537 WeakPolarHBondContact CB-O 3.28Å; N528-K537 VanDerWaalsContact CG-O 3.26Å; N528-K537 VanDerWaalsContact OD1-C 3.31Å; N528-K537 PolarHBondContact OD1-O 2.71Å; T532-K537 HydrophobicContact CG2-CB 4.27Å; T532-K537 WeakPolarHBondContact CG2-O 3.44Å; T532-K537 PolarHBondContact OG1-O 3.47Å; D534-K537 HydrophobicContact CB-CB 4.39Å; D534-K537 HydrophobicContact CB-CG 4.42Å; D534-K537 PolarHBondContact O-N 3.31Å; D534-K537 IonicContact OD2-NZ 2.64Å; D534-K537 PolarHBondContact OD2-NZ 2.99Å
538	P	93.9	Very high	89.2	Confident	85 Å²	85	48.3 Å²	48.3	55%	0.552	26%	0.256	S	S	*	.	S	Bend	cis	-92.4	-8.5	4.9	36.7	-35.5	0	0	0	114.2	N528 K531 P540	N528-P538 WeakPolarHBondContact OD1-CD 3.42Å; K531-P538 HydrophobicContact CD-CG 4.18Å; P538-P540 WeakPolarHBondContact O-CD 3.43Å
539	V	91.7	Very high	88.4	Confident	39 Å²	39	53.5 Å²	53.5	24%	0.236	28%	0.278	C	S	.	.	S	Bend	trans	-93.1	116.2	-172.6	-172.2	0	0	0	0	110.4	T524 N528 K544	T524-V539 HydrophobicContact CG2-CB 4.21Å; T524-V539 HydrophobicContact CG2-CG1 4.23Å; N528-V539 PolarHBondContact ND2-O 3.47Å; N528-V539 WeakPolarHBondContact OD1-CB 3.43Å; N528-V539 PolarHBondContact OD1-N 3.21Å; V539-K544 VanDerWaalsContact CG1-NZ 3.34Å
540	P	90.6	Very high	87.5	Confident	71 Å²	71	56.6 Å²	56.6	46%	0.461	30%	0.304	S	S	.	.			trans	-69.8	157.7	172.7	30.4	-36.1	0	0	0	111.9	P538 D542	P538-P540 WeakPolarHBondContact O-CD 3.43Å; P540-D542 WeakPolarHBondContact CG-OD1 3.42Å; P540-D542 WeakPolarHBondContact CG-OD2 3.3Å; P540-D542 PolarHBondContact O-N 3.01Å
541	Q	88.8	Confident	87.1	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.065	31%	0.305	C	S	.	.			trans	-76.9	43.5	-177.8	-72.3	-71.6	-3	0	0	113.3	V521 Y525 N551 F553 E554	V521-Q541 PolarHBondContact O-NE2 3.39Å; V521-Q541 VanDerWaalsContact O-NE2 3.07Å; Y525-Q541 VanDerWaalsContact CD2-NE2 3.33Å; Y525-Q541 HydrophobicContact CE1-CG 4.04Å; Y525-Q541 VanDerWaalsContact CE2-NE2 3.31Å; Q541-N551 PolarHBondContact O-ND2 2.99Å; Q541-N551 PolarHBondContact OE1-ND2 2.91Å; Q541-F553 HydrophobicContact CB-CB 4.22Å; Q541-F553 HydrophobicContact CG-CB 4.21Å; Q541-E554 WeakPolarHBondContact O-CG 3.45Å
542	D	83.4	Confident	86.7	Confident	78 Å²	78	60.8 Å²	60.8	42%	0.417	32%	0.319	S	S	.	.			trans	-69.8	144.1	-176.7	-52.9	-27.1	0	0	0	113.1	P540 K544 H547	P540-D542 WeakPolarHBondContact CG-OD1 3.42Å; P540-D542 WeakPolarHBondContact CG-OD2 3.3Å; P540-D542 PolarHBondContact O-N 3.01Å; D542-K544 HydrophobicContact CB-CG 4.5Å; D542-K544 PolarHBondContact O-N 3.29Å; D542-H547 PolarHBondContact O-CE1 3.1Å
543	T	78.4	Confident	86.6	Confident	65 Å²	65	57.9 Å²	57.9	40%	0.399	30%	0.302	S	S	.	.			trans	-63.7	100	164.8	-62	0	0	0	0	111.9	A550 N551 E554	T543-A550 WeakPolarHBondContact OG1-CA 3.38Å; T543-N551 PolarHBondContact OG1-N 3.4Å; T543-E554 WeakPolarHBondContact CB-OE1 3.3Å; T543-E554 PolarHBondContact N-OE1 2.94Å; T543-E554 PolarHBondContact OG1-OE1 3.36Å
544	K	79.1	Confident	86	Confident	91 Å²	91	62.9 Å²	62.9	40%	0.396	32%	0.323	S	S	.	.			trans	-104.1	155.2	168.5	-59.7	167.8	-169.1	164.4	0	110.8	V539 D542 I546 H547	V539-K544 VanDerWaalsContact CG1-NZ 3.34Å; D542-K544 HydrophobicContact CB-CG 4.5Å; D542-K544 PolarHBondContact O-N 3.29Å; K544-I546 HydrophobicContact CB-CG2 4.18Å; K544-I546 PolarHBondContact O-N 3.39Å; K544-H547 PolarHBondContact N-ND1 3Å; K544-H547 VanDerWaalsContact N-ND1 3.14Å; K544-H547 PolarHBondContact O-N 3.38Å; K544-H547 PolarHBondContact O-ND1 2.97Å
545	F	67.5	Low	85.4	Confident	199 Å²	199	71 Å²	71	87%	0.873	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-46.8	-38.6	-178.3	-73.9	-74.6	0	0	0	114.8	I67 H547 T548	I67-F545 HydrophobicContact CD1-CB 4.47Å; F545-H547 PolarHBondContact O-N 3.46Å; F545-H547 VanDerWaalsContact O-N 3.12Å; F545-T548 PolarHBondContact O-N 2.93Å
546	I	74.2	Confident	85.1	Confident	21 Å²	21	72.1 Å²	72.1	11%	0.108	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-57.5	-22.9	179.9	-165.5	155.4	0	0	0	114.9	I67 L68 Y192 M500 V516 K544 T548	I67-I546 HydrophobicContact CB-CD1 4.33Å; I67-I546 HydrophobicContact CD1-CB 4.21Å; I67-I546 HydrophobicContact CG2-CB 4.23Å; I67-I546 HydrophobicContact CG2-CD1 3.97Å; I67-I546 HydrophobicContact CG2-CG1 4.46Å; L68-I546 HydrophobicContact CD2-CD1 3.77Å; L68-I546 HydrophobicContact CG-CD1 4.19Å; Y192-I546 HydrophobicContact CD2-CD1 3.65Å; Y192-I546 HydrophobicContact CD2-CG1 4.41Å; Y192-I546 HydrophobicContact CE2-CD1 3.88Å; Y192-I546 HydrophobicContact CE2-CG1 4.24Å; Y192-I546 HydrophobicContact CE2-CG2 3.94Å; M500-I546 HydrophobicContact CE-CD1 4.5Å; M500-I546 HydrophobicContact CE-CG1 4.14Å; M500-I546 HydrophobicContact SD-CD1 3.96Å; M500-I546 HydrophobicContact SD-CG1 3.96Å; V516-I546 WeakPolarHBondContact CG1-O 3.43Å; K544-I546 HydrophobicContact CB-CG2 4.18Å; K544-I546 PolarHBondContact O-N 3.39Å; I546-T548 VanDerWaalsContact C-N 3.3Å; I546-T548 PolarHBondContact O-N 3.43Å
547	H	71.8	Confident	85	Confident	2 Å²	2	73 Å²	73	1%	0.009	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-73.4	-21.6	176.6	-58.9	82.8	0	0	0	112.7	M517 A520 D542 K544 F545 K549 N551	M517-H547 HydrophobicContact CB-CB 4.3Å; M517-H547 HydrophobicContact CG-CB 4.22Å; M517-H547 PolarHBondContact N-O 3.02Å; A520-H547 WeakPolarHBondContact CB-CD2 3.34Å; D542-H547 PolarHBondContact O-CE1 3.1Å; K544-H547 PolarHBondContact N-ND1 3Å; K544-H547 VanDerWaalsContact N-ND1 3.14Å; K544-H547 PolarHBondContact O-N 3.38Å; K544-H547 PolarHBondContact O-ND1 2.97Å; F545-H547 PolarHBondContact O-N 3.46Å; F545-H547 VanDerWaalsContact O-N 3.12Å; H547-K549 VanDerWaalsContact CB-O 3.26Å; H547-K549 WeakPolarHBondContact CB-O 3.38Å; H547-K549 PolarHBondContact O-N 3.29Å; H547-N551 PolarHBondContact NE2-ND2 2.88Å
548	T	78.5	Confident	85.1	Confident	68 Å²	68	67.7 Å²	67.7	42%	0.417	36%	0.358	S	S	.	.	S	Bend	trans	58.3	-4.8	-173.2	78.6	0	0	0	0	116.8	K513 V516 F545 I546	K513-T548 WeakPolarHBondContact CB-OG1 3.43Å; V516-T548 HydrophobicContact CG1-CG2 3.95Å; F545-T548 PolarHBondContact O-N 2.93Å; I546-T548 VanDerWaalsContact C-N 3.3Å; I546-T548 PolarHBondContact O-N 3.43Å
549	K	82.4	Confident	85.3	Confident	110 Å²	110	65.8 Å²	65.8	48%	0.478	35%	0.347	S	S	.	.	S	Bend	trans	-144.5	163.6	176.9	-80	-71.3	-172.6	175.6	0	108.7	K513 M517 H547 N551	K513-K549 HydrophobicContact CB-CG 3.86Å; K513-K549 WeakPolarHBondContact O-CG 3.49Å; M517-K549 HydrophobicContact CB-CB 4.18Å; M517-K549 HydrophobicContact CG-CB 4.32Å; H547-K549 VanDerWaalsContact CB-O 3.26Å; H547-K549 WeakPolarHBondContact CB-O 3.38Å; H547-K549 PolarHBondContact O-N 3.29Å; K549-N551 PolarHBondContact O-N 3.4Å
550	A	80.1	Confident	85.6	Confident	65 Å²	65	68.8 Å²	68.8	54%	0.537	36%	0.357	S	S	.	.			trans	-59.7	133.4	168.3	0	0	0	0	0	110.5	T543 R552	T543-A550 WeakPolarHBondContact OG1-CA 3.38Å; A550-R552 PolarHBondContact O-N 3.16Å
551	N	88.8	Confident	86	Confident	6 Å²	6	66 Å²	66	3%	0.032	34%	0.337	C	S	.	.			trans	-70.3	124.8	175.4	-173.1	-22.9	0	0	0	108.7	V521 Q541 T543 H547 K549 F553 E554	V521-N551 WeakPolarHBondContact CG2-ND2 3.35Å; V521-N551 WeakPolarHBondContact CG2-OD1 3.34Å; Q541-N551 PolarHBondContact O-ND2 2.99Å; Q541-N551 PolarHBondContact OE1-ND2 2.91Å; T543-N551 PolarHBondContact OG1-N 3.4Å; H547-N551 PolarHBondContact NE2-ND2 2.88Å; K549-N551 PolarHBondContact O-N 3.4Å; N551-F553 VanDerWaalsContact C-N 3.26Å; N551-F553 PolarHBondContact O-N 3.37Å; N551-F553 WeakPolarHBondContact OD1-CB 3.43Å; N551-F553 PolarHBondContact OD1-N 3.45Å; N551-E554 HydrophobicContact CB-CG 4.2Å
552	R	90.3	Very high	86.4	Confident	110 Å²	110	67.1 Å²	67.1	42%	0.415	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.6	-177.4	-56.2	-173.1	-167.3	-158.7	3.7	113.2	N514 M517 A550 L573 P575	N514-R552 PolarHBondContact OD1-NH2 2.9Å; M517-R552 HydrophobicContact CE-CG 4Å; M517-R552 HydrophobicContact SD-CG 4.36Å; A550-R552 PolarHBondContact O-N 3.16Å; R552-L573 VanDerWaalsContact CD-O 3.23Å; R552-L573 WeakPolarHBondContact CD-O 3.49Å; R552-L573 PolarHBondContact NH1-O 3.17Å; R552-P575 HydrophobicContact CB-CG 3.85Å; R552-P575 WeakPolarHBondContact O-CG 3.45Å
553	F	93.4	Very high	86.9	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	7.4	-174.6	-62.3	-113.9	0	0	0	112.7	L518 V521 Y525 Q541 N551 E555 V556 L569 I571 P575	L518-F553 HydrophobicContact CD1-CE2 3.75Å; L518-F553 HydrophobicContact CD1-CZ 3.65Å; V521-F553 HydrophobicContact CB-CD2 4.14Å; V521-F553 HydrophobicContact CB-CE2 4.24Å; V521-F553 HydrophobicContact CG1-CB 4.19Å; V521-F553 HydrophobicContact CG1-CD1 3.71Å; V521-F553 HydrophobicContact CG1-CD2 3.58Å; V521-F553 HydrophobicContact CG1-CE1 3.78Å; V521-F553 HydrophobicContact CG1-CE2 3.7Å; V521-F553 HydrophobicContact CG1-CG 3.59Å; V521-F553 HydrophobicContact CG1-CZ 3.77Å; V521-F553 HydrophobicContact CG2-CB 4.38Å; V521-F553 HydrophobicContact CG2-CD2 3.58Å; V521-F553 HydrophobicContact CG2-CE2 4.02Å; V521-F553 HydrophobicContact CG2-CG 4.14Å; Y525-F553 AromaticContact CE2-CD1 3.73Å; Y525-F553 HydrophobicContact CE2-CD1 3.73Å; Y525-F553 HydrophobicContact CE2-CE1 4.09Å; Y525-F553 HydrophobicContact CE2-CG 4.45Å; Y525-F553 WeakPolarHBondContact OH-CD1 3.19Å; Q541-F553 HydrophobicContact CB-CB 4.22Å; Q541-F553 HydrophobicContact CG-CB 4.21Å; N551-F553 VanDerWaalsContact C-N 3.26Å; N551-F553 PolarHBondContact O-N 3.37Å; N551-F553 WeakPolarHBondContact OD1-CB 3.43Å; N551-F553 PolarHBondContact OD1-N 3.45Å; F553-E555 PolarHBondContact O-N 2.97Å; F553-V556 HydrophobicContact CB-CB 4.21Å; F553-V556 HydrophobicContact CD1-CB 4.39Å; F553-V556 HydrophobicContact CD1-CG1 4.39Å; F553-V556 PolarHBondContact O-N 3.04Å; F553-L569 HydrophobicContact CE1-CD2 4.47Å; F553-I571 HydrophobicContact CZ-CG2 4.34Å; F553-P575 HydrophobicContact CD1-CB 3.48Å; F553-P575 VanDerWaalsContact CD1-CB 3.48Å; F553-P575 HydrophobicContact CD1-CG 4.01Å; F553-P575 HydrophobicContact CD2-CB 4.02Å; F553-P575 HydrophobicContact CD2-CG 3.75Å; F553-P575 HydrophobicContact CE1-CB 3.26Å; F553-P575 HydrophobicContact CE1-CG 4.1Å; F553-P575 HydrophobicContact CE2-CB 3.8Å; F553-P575 HydrophobicContact CE2-CG 3.8Å; F553-P575 HydrophobicContact CG-CB 3.89Å; F553-P575 HydrophobicContact CG-CG 3.88Å; F553-P575 HydrophobicContact CZ-CB 3.44Å; F553-P575 VanDerWaalsContact CZ-CB 3.44Å; F553-P575 HydrophobicContact CZ-CG 4Å
554	E	86.4	Confident	87.8	Confident	109 Å²	109	69 Å²	69	51%	0.509	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-39.9	179.4	-77.8	177.8	169.1	0	0	113.2	Q541 T543 N551	Q541-E554 WeakPolarHBondContact O-CG 3.45Å; T543-E554 WeakPolarHBondContact CB-OE1 3.3Å; T543-E554 PolarHBondContact N-OE1 2.94Å; T543-E554 PolarHBondContact OG1-OE1 3.36Å; N551-E554 HydrophobicContact CB-CG 4.2Å
555	E	85.2	Confident	88.6	Confident	195 Å²	195	68.8 Å²	68.8	91%	0.911	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	6.6	178	-59	-174.7	154.7	0	0	113.3	F553	F553-E555 PolarHBondContact O-N 2.97Å
556	V	91.4	Very high	90.1	Very high	25 Å²	25	60.4 Å²	60.4	15%	0.152	32%	0.316	C	S	.	.			trans	-104.9	88.7	-172	-173.5	0	0	0	0	111.2	Y525 F553 L569 P575	Y525-V556 PolarHBondContact OH-O 3.25Å; F553-V556 HydrophobicContact CB-CB 4.21Å; F553-V556 HydrophobicContact CD1-CB 4.39Å; F553-V556 HydrophobicContact CD1-CG1 4.39Å; F553-V556 PolarHBondContact O-N 3.04Å; V556-L569 HydrophobicContact CG1-CD1 3.58Å; V556-P575 HydrophobicContact CG2-CB 4.4Å; V556-P575 HydrophobicContact CG2-CG 4.29Å
557	A	94	Very high	91.2	Very high	65 Å²	65	61.5 Å²	61.5	54%	0.537	32%	0.321	S	S	.	.			trans	-72.6	130	166.7	0	0	0	0	0	110.7	N536 S559 V577	N536-A557 WeakPolarHBondContact OD1-CA 3.47Å; A557-S559 PolarHBondContact O-N 2.89Å; A557-V577 WeakPolarHBondContact O-CG2 3.34Å
558	W	97.7	Very high	92.5	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.008	32%	0.324	C	S	.	.			trans	-82.1	102.5	173.9	-170.1	-11.8	0	0	0	109.2	M367 Y467 F468 Y469 Y525 W526 P535 N536 L569	M367-W558 HydrophobicContact CE-CE3 4.39Å; M367-W558 HydrophobicContact CE-CH2 3.64Å; M367-W558 HydrophobicContact CE-CZ2 4.45Å; M367-W558 HydrophobicContact CE-CZ3 3.6Å; M367-W558 HydrophobicContact CG-CH2 3.71Å; M367-W558 HydrophobicContact CG-CZ2 4.06Å; M367-W558 HydrophobicContact SD-CH2 3.51Å; M367-W558 VanDerWaalsContact SD-CH2 3.51Å; M367-W558 HydrophobicContact SD-CZ2 4.43Å; M367-W558 HydrophobicContact SD-CZ3 3.96Å; Y467-W558 HydrophobicContact CD1-CG 4.26Å; F468-W558 PolarHBondContact O-NE1 3.45Å; Y469-W558 AromaticContact CD1-CH2 3.97Å; Y469-W558 HydrophobicContact CD1-CH2 3.97Å; Y469-W558 HydrophobicContact CD1-CZ2 4.19Å; Y469-W558 HydrophobicContact CG-CH2 4.33Å; Y469-W558 HydrophobicContact CG-CZ2 4.43Å; Y525-W558 AromaticContact CD1-CE3 3.92Å; Y525-W558 HydrophobicContact CD1-CE3 3.92Å; Y525-W558 HydrophobicContact CD2-CE3 4.23Å; Y525-W558 HydrophobicContact CD2-CZ3 4.42Å; Y525-W558 HydrophobicContact CE1-CB 4.29Å; Y525-W558 HydrophobicContact CE1-CE3 4.36Å; Y525-W558 AromaticContact CG-CE3 3.86Å; Y525-W558 HydrophobicContact CG-CE3 3.86Å; Y525-W558 HydrophobicContact CG-CZ3 4.11Å; W526-W558 HydrophobicContact CZ3-CH2 4.14Å; W526-W558 HydrophobicContact CZ3-CZ3 4Å; P535-W558 HydrophobicContact CB-CD2 4.38Å; P535-W558 HydrophobicContact CB-CE3 3.75Å; P535-W558 HydrophobicContact CB-CZ3 4.19Å; P535-W558 HydrophobicContact CG-CB 4.15Å; P535-W558 HydrophobicContact CG-CD2 3.9Å; P535-W558 HydrophobicContact CG-CE3 3.79Å; P535-W558 HydrophobicContact CG-CG 4.1Å; P535-W558 HydrophobicContact CG-CZ3 4.48Å; N536-W558 PolarHBondContact ND2-O 3.41Å; N536-W558 PolarHBondContact OD1-N 3.29Å; W558-L569 HydrophobicContact CB-CD2 4.23Å; W558-L569 HydrophobicContact CD2-CB 3.83Å; W558-L569 HydrophobicContact CD2-CD2 3.63Å; W558-L569 HydrophobicContact CD2-CG 4.38Å; W558-L569 HydrophobicContact CE3-CD2 3.53Å; W558-L569 HydrophobicContact CG-CB 3.84Å; W558-L569 HydrophobicContact CG-CD2 3.95Å; W558-L569 HydrophobicContact CG-CG 4.45Å; W558-L569 HydrophobicContact CZ2-CB 4.47Å; W558-L569 HydrophobicContact CZ3-CD2 4.13Å
559	S	97.6	Very high	93.5	Very high	46 Å²	46	59 Å²	59	32%	0.322	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-63.2	150.7	174.9	-60.9	0	0	0	0	112.4	A557	A557-S559 PolarHBondContact O-N 2.89Å
560	K	97.9	Very high	94.2	Very high	102 Å²	102	54.4 Å²	54.4	44%	0.443	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-64.2	142.4	168.2	-73.5	-171.2	173.1	-165.4	0	110.8	T466 Y467	T466-K560 WeakPolarHBondContact O-CA 3.24Å; Y467-K560 HydrophobicContact CD1-CG 4.35Å; Y467-K560 HydrophobicContact CE1-CB 4.46Å; Y467-K560 HydrophobicContact CE1-CG 3.64Å; Y467-K560 HydrophobicContact CE2-CG 4.11Å; Y467-K560 WeakPolarHBondContact OH-CE 3.28Å
561	Y	98.5	Very high	95.1	Very high	11 Å²	11	51.3 Å²	51.3	4%	0.043	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-75.5	144.6	167.4	-176	-89	0	0	0	110.1	A456 D457 A460 T466 F468 Q566 L567	A456-Y561 HydrophobicContact CB-CD1 3.9Å; A456-Y561 HydrophobicContact CB-CE1 3.57Å; A456-Y561 HydrophobicContact CB-CE2 4.47Å; A456-Y561 HydrophobicContact CB-CG 4.49Å; D457-Y561 PolarHBondContact OD1-OH 2.94Å; A460-Y561 HydrophobicContact CB-CD1 3.93Å; A460-Y561 HydrophobicContact CB-CE1 4.41Å; T466-Y561 HydrophobicContact CG2-CD1 4.06Å; T466-Y561 HydrophobicContact CG2-CG 4.37Å; T466-Y561 PolarHBondContact O-N 3.41Å; F468-Y561 HydrophobicContact CB-CD2 3.55Å; F468-Y561 HydrophobicContact CB-CE2 4.23Å; F468-Y561 HydrophobicContact CB-CG 4.09Å; F468-Y561 HydrophobicContact CG-CD2 4.23Å; F468-Y561 HydrophobicContact CG-CE2 4.45Å; Y561-Q566 HydrophobicContact CE2-CB 3.8Å; Y561-Q566 HydrophobicContact CE2-CG 4.13Å; Y561-Q566 PolarHBondContact OH-NE2 2.94Å; Y561-Q566 VanDerWaalsContact OH-NE2 3.09Å; Y561-L567 WeakPolarHBondContact CD2-O 3.23Å
562	N	96.9	Very high	95.4	Very high	39 Å²	39	51 Å²	51	21%	0.209	26%	0.257	C	S	.	.			trans	-149.6	159.3	166.3	70.7	67.5	0	0	0	109.5	Q564 D565 Q566	N562-Q564 PolarHBondContact O-N 3.4Å; N562-Q564 VanDerWaalsContact O-N 3.15Å; N562-Q564 WeakPolarHBondContact OD1-CA 3.41Å; N562-Q564 WeakPolarHBondContact OD1-CB 3.33Å; N562-Q564 PolarHBondContact OD1-N 3.21Å; N562-Q564 PolarHBondContact OD1-OE1 2.88Å; N562-D565 PolarHBondContact ND2-OD2 2.65Å; N562-D565 PolarHBondContact OD1-N 3.46Å; N562-D565 PolarHBondContact OD1-OD2 2.98Å; N562-Q566 VanDerWaalsContact O-CA 3.24Å; N562-Q566 WeakPolarHBondContact O-CA 3.4Å; N562-Q566 PolarHBondContact O-N 2.96Å
563	P	95.6	Very high	95.6	Very high	38 Å²	38	48 Å²	48	25%	0.247	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.1	-174.8	-20.6	34.7	0	0	0	115.5	A460	A460-P563 HydrophobicContact CB-CG 4.24Å
564	Q	95.3	Very high	95.7	Very high	143 Å²	143	55.1 Å²	55.1	67%	0.668	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-40.7	-178.3	-63.9	80	16.2	0	0	113	N562	N562-Q564 PolarHBondContact O-N 3.4Å; N562-Q564 VanDerWaalsContact O-N 3.15Å; N562-Q564 WeakPolarHBondContact OD1-CA 3.41Å; N562-Q564 WeakPolarHBondContact OD1-CB 3.33Å; N562-Q564 PolarHBondContact OD1-N 3.21Å; N562-Q564 PolarHBondContact OD1-OE1 2.88Å
565	D	97.3	Very high	96	Very high	87 Å²	87	51 Å²	51	47%	0.465	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-21.3	178.8	-55.4	-53.6	0	0	0	112.6	N562 L567 D579	N562-D565 PolarHBondContact ND2-OD2 2.65Å; N562-D565 PolarHBondContact OD1-N 3.46Å; N562-D565 PolarHBondContact OD1-OD2 2.98Å; D565-L567 HydrophobicContact CB-CD1 4.32Å; D565-L567 HydrophobicContact CB-CD2 4.13Å; D565-L567 HydrophobicContact CB-CG 3.75Å; D565-L567 PolarHBondContact O-N 3.07Å; D565-L567 VanDerWaalsContact O-N 3.09Å; D565-D579 WeakPolarHBondContact O-CB 3.38Å
566	Q	97.9	Very high	96.5	Very high	24 Å²	24	45.6 Å²	45.6	11%	0.112	23%	0.234	C	C	.	.			trans	43.5	42.4	-177.5	-62.8	-163	-33.9	0	0	114.7	D457 Y561 N562 H580	D457-Q566 PolarHBondContact OD1-NE2 2.94Å; D457-Q566 PolarHBondContact OD2-NE2 3.34Å; Y561-Q566 HydrophobicContact CE2-CB 3.8Å; Y561-Q566 HydrophobicContact CE2-CG 4.13Å; Y561-Q566 PolarHBondContact OH-NE2 2.94Å; Y561-Q566 VanDerWaalsContact OH-NE2 3.09Å; N562-Q566 VanDerWaalsContact O-CA 3.24Å; N562-Q566 WeakPolarHBondContact O-CA 3.4Å; N562-Q566 PolarHBondContact O-N 2.96Å; Q566-H580 PolarHBondContact O-N 2.89Å; Q566-H580 VanDerWaalsContact O-N 3.16Å; Q566-H580 PolarHBondContact OE1-CD2 2.97Å
567	L	98.6	Very high	96.8	Very high	43 Å²	43	46.3 Å²	46.3	23%	0.225	24%	0.239	C	C	.	.			trans	-69.8	130.6	-176	-59.3	-178	0	0	0	112.7	Y561 D565 V577 R578 D579	Y561-L567 WeakPolarHBondContact CD2-O 3.23Å; D565-L567 HydrophobicContact CB-CD1 4.32Å; D565-L567 HydrophobicContact CB-CD2 4.13Å; D565-L567 HydrophobicContact CB-CG 3.75Å; D565-L567 PolarHBondContact O-N 3.07Å; D565-L567 VanDerWaalsContact O-N 3.09Å; L567-V577 HydrophobicContact CB-CG1 4.22Å; L567-V577 HydrophobicContact CD2-CG1 4.28Å; L567-R578 CarbonylContact C-O 3.13Å; L567-R578 WeakPolarHBondContact CA-O 3.43Å; L567-D579 HydrophobicContact CD2-CB 3.97Å
568	Y	98.7	Very high	96.9	Very high	18 Å²	18	48.6 Å²	48.6	7%	0.071	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.1	175.8	73	-81.4	0	0	0	112.8	F468 A470 H570 V577 R578 D579 Y581	F468-Y568 HydrophobicContact CD1-CG 4.47Å; F468-Y568 VanDerWaalsContact O-CA 3.25Å; F468-Y568 WeakPolarHBondContact O-CA 3.37Å; F468-Y568 WeakPolarHBondContact O-CB 3.38Å; A470-Y568 HydrophobicContact CB-CD2 3.84Å; A470-Y568 HydrophobicContact CB-CE2 3.79Å; Y568-H570 HydrophobicContact CE2-CB 4.21Å; Y568-V577 WeakPolarHBondContact O-CA 3.29Å; Y568-R578 HydrophobicContact CD1-CB 4.01Å; Y568-R578 WeakPolarHBondContact CD1-O 3.38Å; Y568-R578 HydrophobicContact CE1-CB 3.34Å; Y568-R578 HydrophobicContact CE2-CB 3.97Å; Y568-R578 PolarHBondContact N-O 3.37Å; Y568-R578 PolarHBondContact O-N 2.88Å; Y568-R578 WeakPolarHBondContact OH-CB 3.47Å; Y568-D579 WeakPolarHBondContact CE1-O 3.41Å; Y568-Y581 HydrophobicContact CE1-CD2 4.16Å; Y568-Y581 HydrophobicContact CE1-CG 4.29Å; Y568-Y581 AromaticContact CE2-CD2 3.88Å; Y568-Y581 HydrophobicContact CE2-CD2 3.88Å; Y568-Y581 HydrophobicContact CE2-CG 4.39Å; Y568-Y581 AromaticContact CZ-CD2 3.63Å
569	L	98.7	Very high	96.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.8	170.1	-179	62.3	0	0	0	110.5	F468 Y469 A470 Y525 F553 V556 W558 I571	F468-L569 PolarHBondContact O-N 2.86Å; Y469-L569 WeakPolarHBondContact CA-O 3.45Å; A470-L569 PolarHBondContact N-O 3.34Å; Y525-L569 HydrophobicContact CD2-CD2 4.17Å; Y525-L569 HydrophobicContact CE2-CD2 3.63Å; F553-L569 HydrophobicContact CE1-CD2 4.47Å; V556-L569 HydrophobicContact CG1-CD1 3.58Å; W558-L569 HydrophobicContact CB-CD2 4.23Å; W558-L569 HydrophobicContact CD2-CB 3.83Å; W558-L569 HydrophobicContact CD2-CD2 3.63Å; W558-L569 HydrophobicContact CD2-CG 4.38Å; W558-L569 HydrophobicContact CE3-CD2 3.53Å; W558-L569 HydrophobicContact CG-CB 3.84Å; W558-L569 HydrophobicContact CG-CD2 3.95Å; W558-L569 HydrophobicContact CG-CG 4.45Å; W558-L569 HydrophobicContact CZ2-CB 4.47Å; W558-L569 HydrophobicContact CZ3-CD2 4.13Å; L569-I571 HydrophobicContact CB-CG1 4.43Å; L569-I571 HydrophobicContact CD2-CD1 4.21Å; L569-I571 HydrophobicContact CD2-CG1 3.73Å; L569-I571 HydrophobicContact CG-CG1 3.75Å; L569-I571 PolarHBondContact O-N 2.75Å
570	H	98.3	Very high	97	Very high	13 Å²	13	54.2 Å²	54.2	6%	0.06	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	101.3	165.6	169.6	-56.1	0	0	0	108.4	Y472 Y568 P575 R576	Y472-H570 AromaticContact CD1-NE2 3.76Å; Y472-H570 AromaticContact CD2-CD2 3.51Å; Y472-H570 AromaticContact CD2-CG 3.96Å; Y472-H570 AromaticContact CD2-NE2 3.78Å; Y472-H570 AromaticContact CE2-CD2 3.68Å; Y472-H570 AromaticContact CG-CD2 3.75Å; Y472-H570 AromaticContact CG-CE1 3.86Å; Y472-H570 AromaticContact CG-NE2 3.49Å; Y568-H570 HydrophobicContact CE2-CB 4.21Å; H570-P575 WeakPolarHBondContact O-CA 3.01Å; H570-R576 HydrophobicContact CB-CG 4.13Å; H570-R576 WeakPolarHBondContact CB-O 3.15Å; H570-R576 PolarHBondContact CD2-NH1 3.48Å; H570-R576 VanDerWaalsContact CD2-NH1 3.3Å; H570-R576 PolarHBondContact CD2-NH2 2.95Å; H570-R576 PolarHBondContact CE1-NH1 3.34Å; H570-R576 PolarHBondContact N-O 3.05Å; H570-R576 PolarHBondContact ND1-NH1 2.94Å; H570-R576 PolarHBondContact NE2-NH1 2.84Å; H570-R576 PolarHBondContact NE2-NH2 3.35Å; H570-R576 VanDerWaalsContact NE2-NH2 3.14Å
571	I	98.2	Very high	97	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.2	179.4	-59.2	178.1	0	0	0	109.4	Y469 A470 F471 Y472 L518 V522 W526 F553 L569	Y469-I571 HydrophobicContact CD2-CD1 4.01Å; Y469-I571 HydrophobicContact CG-CD1 3.87Å; A470-I571 PolarHBondContact O-N 3.12Å; F471-I571 HydrophobicContact CD2-CB 3.81Å; F471-I571 HydrophobicContact CD2-CD1 4.37Å; F471-I571 HydrophobicContact CD2-CG2 3.56Å; F471-I571 HydrophobicContact CE2-CB 4.29Å; F471-I571 HydrophobicContact CE2-CG2 3.52Å; Y472-I571 PolarHBondContact N-O 3.17Å; L518-I571 HydrophobicContact CD1-CG2 3.91Å; V522-I571 HydrophobicContact CG2-CG2 4.12Å; W526-I571 HydrophobicContact CH2-CD1 4.05Å; W526-I571 HydrophobicContact CZ3-CD1 3.97Å; F553-I571 HydrophobicContact CZ-CG2 4.34Å; L569-I571 HydrophobicContact CB-CG1 4.43Å; L569-I571 HydrophobicContact CD2-CD1 4.21Å; L569-I571 HydrophobicContact CD2-CG1 3.73Å; L569-I571 HydrophobicContact CG-CG1 3.75Å; L569-I571 PolarHBondContact O-N 2.75Å
572	G	96.1	Very high	96.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	163	-169.7	177.4	0	0	0	0	0	111.9	K574 P575	G572-K574 PolarHBondContact O-N 3.38Å; G572-K574 VanDerWaalsContact O-N 3.08Å; G572-P575 WeakPolarHBondContact O-CD 3.36Å
573	L	94.6	Very high	96.8	Very high	47 Å²	47	50 Å²	50	25%	0.246	24%	0.242	C	C	.	.	S	Bend	trans	-72.1	-3.4	-171.6	-55.3	-171.1	0	0	0	115.7	H473 N514 M517 R552	H473-L573 WeakPolarHBondContact ND1-CG 3.5Å; N514-L573 HydrophobicContact CB-CD1 4.16Å; N514-L573 HydrophobicContact CB-CD2 3.83Å; M517-L573 HydrophobicContact CE-CD2 4.21Å; R552-L573 VanDerWaalsContact CD-O 3.23Å; R552-L573 WeakPolarHBondContact CD-O 3.49Å; R552-L573 PolarHBondContact NH1-O 3.17Å
574	K	94.3	Very high	96.9	Very high	151 Å²	151	52.5 Å²	52.5	66%	0.657	26%	0.256	S	S	*	.	S	Bend	trans	-130.5	65.2	172.4	-66.5	178.7	-178.2	172.7	0	109.2	G572 R576	G572-K574 PolarHBondContact O-N 3.38Å; G572-K574 VanDerWaalsContact O-N 3.08Å; K574-R576 PolarHBondContact O-NH1 3.25Å
575	P	93.4	Very high	97	Very high	22 Å²	22	47 Å²	47	14%	0.143	23%	0.23	C	C	.	.			trans	-70.1	149.1	-168.8	32.6	-37.3	0	0	0	111.9	R552 F553 V556 H570 G572	R552-P575 HydrophobicContact CB-CG 3.85Å; R552-P575 WeakPolarHBondContact O-CG 3.45Å; F553-P575 HydrophobicContact CD1-CB 3.48Å; F553-P575 VanDerWaalsContact CD1-CB 3.48Å; F553-P575 HydrophobicContact CD1-CG 4.01Å; F553-P575 HydrophobicContact CD2-CB 4.02Å; F553-P575 HydrophobicContact CD2-CG 3.75Å; F553-P575 HydrophobicContact CE1-CB 3.26Å; F553-P575 HydrophobicContact CE1-CG 4.1Å; F553-P575 HydrophobicContact CE2-CB 3.8Å; F553-P575 HydrophobicContact CE2-CG 3.8Å; F553-P575 HydrophobicContact CG-CB 3.89Å; F553-P575 HydrophobicContact CG-CG 3.88Å; F553-P575 HydrophobicContact CZ-CB 3.44Å; F553-P575 VanDerWaalsContact CZ-CB 3.44Å; F553-P575 HydrophobicContact CZ-CG 4Å; V556-P575 HydrophobicContact CG2-CB 4.4Å; V556-P575 HydrophobicContact CG2-CG 4.29Å; H570-P575 WeakPolarHBondContact O-CA 3.01Å; G572-P575 WeakPolarHBondContact O-CD 3.36Å
576	R	95.2	Very high	97	Very high	81 Å²	81	43.2 Å²	43.2	31%	0.306	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	150.7	-176.4	53.8	-160.8	-168.4	-79.4	-4.1	109.9	H570 K574 R578	H570-R576 HydrophobicContact CB-CG 4.13Å; H570-R576 WeakPolarHBondContact CB-O 3.15Å; H570-R576 PolarHBondContact CD2-NH1 3.48Å; H570-R576 VanDerWaalsContact CD2-NH1 3.3Å; H570-R576 PolarHBondContact CD2-NH2 2.95Å; H570-R576 PolarHBondContact CE1-NH1 3.34Å; H570-R576 PolarHBondContact N-O 3.05Å; H570-R576 PolarHBondContact ND1-NH1 2.94Å; H570-R576 PolarHBondContact NE2-NH1 2.84Å; H570-R576 PolarHBondContact NE2-NH2 3.35Å; H570-R576 VanDerWaalsContact NE2-NH2 3.14Å; K574-R576 PolarHBondContact O-NH1 3.25Å; R576-R578 HydrophobicContact CG-CG 4.24Å
577	V	97.3	Very high	96.9	Very high	41 Å²	41	44.1 Å²	44.1	25%	0.248	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144	160.2	-179.1	0	0	0	0	108.9	A557 L567 Y568	A557-V577 WeakPolarHBondContact O-CG2 3.34Å; L567-V577 HydrophobicContact CB-CG1 4.22Å; L567-V577 HydrophobicContact CD2-CG1 4.28Å; Y568-V577 WeakPolarHBondContact O-CA 3.29Å
578	R	97.5	Very high	96.9	Very high	112 Å²	112	42.3 Å²	42.3	42%	0.423	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	170.1	173	-82.1	-69.1	177.5	-86.5	13.7	109.1	L567 Y568 R576	L567-R578 CarbonylContact C-O 3.13Å; L567-R578 WeakPolarHBondContact CA-O 3.43Å; Y568-R578 HydrophobicContact CD1-CB 4.01Å; Y568-R578 WeakPolarHBondContact CD1-O 3.38Å; Y568-R578 HydrophobicContact CE1-CB 3.34Å; Y568-R578 HydrophobicContact CE2-CB 3.97Å; Y568-R578 PolarHBondContact N-O 3.37Å; Y568-R578 PolarHBondContact O-N 2.88Å; Y568-R578 WeakPolarHBondContact OH-CB 3.47Å; R576-R578 HydrophobicContact CG-CG 4.24Å
579	D	97.8	Very high	96.7	Very high	86 Å²	86	41.9 Å²	41.9	46%	0.46	21%	0.21	S	C	.	.	S	Bend	trans	-123.5	160	-176.8	61	-67.8	0	0	0	110.6	D565 L567 Y568 Y581	D565-D579 WeakPolarHBondContact O-CB 3.38Å; L567-D579 HydrophobicContact CD2-CB 3.97Å; Y568-D579 WeakPolarHBondContact CE1-O 3.41Å; D579-Y581 PolarHBondContact O-N 3.41Å
580	H	98.1	Very high	96.5	Very high	80 Å²	80	44.4 Å²	44.4	37%	0.37	22%	0.221	S	C	.	.	S	Bend	trans	51.7	50.6	167.9	-60.7	98.4	0	0	0	114.9	Q566 R582 A583	Q566-H580 PolarHBondContact O-N 2.89Å; Q566-H580 VanDerWaalsContact O-N 3.16Å; Q566-H580 PolarHBondContact OE1-CD2 2.97Å; H580-R582 PolarHBondContact O-N 3.42Å; H580-A583 HydrophobicContact CB-CB 3.81Å; H580-A583 WeakPolarHBondContact O-CB 3.32Å; H580-A583 PolarHBondContact O-N 3.06Å; H580-A583 VanDerWaalsContact O-N 3.07Å
581	Y	98	Very high	96.3	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.027	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	109.8	-176.6	-176.9	-123.1	0	0	0	112	V370 V449 F468 A470 Y472 Y568 D579 A583	V370-Y581 HydrophobicContact CG2-CD1 4.39Å; V370-Y581 HydrophobicContact CG2-CE1 3.55Å; V449-Y581 HydrophobicContact CB-CE1 4.47Å; V449-Y581 HydrophobicContact CG1-CD1 3.7Å; V449-Y581 HydrophobicContact CG1-CE1 3.57Å; V449-Y581 HydrophobicContact CG2-CE1 4.07Å; F468-Y581 AromaticContact CE1-CD1 3.96Å; F468-Y581 HydrophobicContact CE1-CD1 3.96Å; A470-Y581 HydrophobicContact CB-CD2 4.1Å; A470-Y581 HydrophobicContact CB-CE1 4.21Å; A470-Y581 HydrophobicContact CB-CE2 3.76Å; A470-Y581 HydrophobicContact CB-CG 4.48Å; Y472-Y581 HydrophobicContact CE2-CE2 4.13Å; Y472-Y581 WeakPolarHBondContact OH-CE2 3.49Å; Y568-Y581 HydrophobicContact CE1-CD2 4.16Å; Y568-Y581 HydrophobicContact CE1-CG 4.29Å; Y568-Y581 AromaticContact CE2-CD2 3.88Å; Y568-Y581 HydrophobicContact CE2-CD2 3.88Å; Y568-Y581 HydrophobicContact CE2-CG 4.39Å; Y568-Y581 AromaticContact CZ-CD2 3.63Å; D579-Y581 PolarHBondContact O-N 3.41Å; Y581-A583 PolarHBondContact O-N 3.29Å
582	R	97	Very high	96	Very high	29 Å²	29	52.8 Å²	52.8	11%	0.109	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	29.2	178.7	-57.8	176.3	62.8	71.7	5.7	113.4	D445 H580 T584 K585 V586 D770	D445-R582 VanDerWaalsContact CG-NH2 3.31Å; D445-R582 IonicContact OD1-CZ 3.24Å; D445-R582 IonicContact OD1-NE 3.87Å; D445-R582 PolarHBondContact OD1-NE 2.98Å; D445-R582 IonicContact OD1-NH2 2.7Å; D445-R582 PolarHBondContact OD1-NH2 2.81Å; D445-R582 VanDerWaalsContact OD1-NH2 3.09Å; D445-R582 IonicContact OD2-CZ 2.7Å; D445-R582 IonicContact OD2-NE 2.76Å; D445-R582 IonicContact OD2-NH2 3.75Å; D445-R582 PolarHBondContact OD2-NH2 3.31Å; H580-R582 PolarHBondContact O-N 3.42Å; R582-T584 VanDerWaalsContact C-N 3.26Å; R582-T584 PolarHBondContact O-N 3.32Å; R582-K585 WeakPolarHBondContact O-CA 3.45Å; R582-K585 WeakPolarHBondContact O-CB 3.31Å; R582-K585 PolarHBondContact O-N 3.49Å; R582-V586 PolarHBondContact O-N 3.34Å; R582-D770 WeakPolarHBondContact CD-OD1 3.22Å; R582-D770 WeakPolarHBondContact CG-OD1 3.4Å; R582-D770 IonicContact CZ-OD1 3.73Å; R582-D770 IonicContact NH1-OD1 2.81Å; R582-D770 PolarHBondContact NH1-OD1 2.79Å
583	A	95.9	Very high	95.8	Very high	29 Å²	29	52.9 Å²	52.9	24%	0.24	26%	0.263	C	S	.	.	H	α-helix	trans	-54.7	-32.3	-165.9	0	0	0	0	0	115.2	H580 Y581 K585 V586 A587	H580-A583 HydrophobicContact CB-CB 3.81Å; H580-A583 WeakPolarHBondContact O-CB 3.32Å; H580-A583 PolarHBondContact O-N 3.06Å; H580-A583 VanDerWaalsContact O-N 3.07Å; Y581-A583 PolarHBondContact O-N 3.29Å; A583-K585 VanDerWaalsContact C-N 3.3Å; A583-K585 PolarHBondContact O-N 3.08Å; A583-V586 PolarHBondContact O-N 3.22Å; A583-A587 VanDerWaalsContact O-CB 3.25Å; A583-A587 WeakPolarHBondContact O-CB 3.41Å; A583-A587 PolarHBondContact O-N 3.42Å
584	T	96.5	Very high	95.6	Very high	89 Å²	89	53.4 Å²	53.4	55%	0.546	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-29.7	175.3	-44.6	0	0	0	0	113.2	R582 F588 L774	R582-T584 VanDerWaalsContact C-N 3.26Å; R582-T584 PolarHBondContact O-N 3.32Å; T584-F588 VanDerWaalsContact O-CB 3.31Å; T584-F588 WeakPolarHBondContact O-CB 3.4Å; T584-F588 PolarHBondContact O-N 3.14Å; T584-L774 HydrophobicContact CG2-CD1 3.73Å
585	K	97.6	Very high	95.2	Very high	28 Å²	28	51.3 Å²	51.3	12%	0.122	26%	0.261	C	S	.	.	H	α-helix	trans	-82.1	-40.3	175.2	-55.6	-55.8	-173.4	-171.1	0	111.2	M422 Y423 D445 R582 A583 F588 W589	M422-K585 PolarHBondContact O-NZ 3Å; Y423-K585 HydrophobicContact CE1-CD 4.01Å; D445-K585 HydrophobicContact CB-CB 4.43Å; D445-K585 WeakPolarHBondContact OD2-CG 3.14Å; R582-K585 WeakPolarHBondContact O-CA 3.45Å; R582-K585 WeakPolarHBondContact O-CB 3.31Å; R582-K585 PolarHBondContact O-N 3.49Å; A583-K585 VanDerWaalsContact C-N 3.3Å; A583-K585 PolarHBondContact O-N 3.08Å; K585-F588 WeakPolarHBondContact O-CB 3.41Å; K585-F588 PolarHBondContact O-N 3.11Å; K585-W589 VanDerWaalsContact O-CD1 3.28Å; K585-W589 PolarHBondContact O-N 3.28Å; K585-W589 VanDerWaalsContact O-N 3.08Å
586	V	97.3	Very high	94.8	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-54.5	171.6	175.4	0	0	0	0	110.4	V449 E450 V453 R582 A583 F588 W589 K590	V449-V586 HydrophobicContact CG1-CG2 3.96Å; E450-V586 HydrophobicContact CG-CG1 4.06Å; V453-V586 HydrophobicContact CB-CG1 4.08Å; V453-V586 HydrophobicContact CB-CG2 4.38Å; V453-V586 HydrophobicContact CG1-CG1 3.77Å; V453-V586 HydrophobicContact CG2-CG2 4.24Å; R582-V586 PolarHBondContact O-N 3.34Å; A583-V586 PolarHBondContact O-N 3.22Å; V586-F588 VanDerWaalsContact C-N 3.25Å; V586-F588 PolarHBondContact O-N 2.72Å; V586-W589 PolarHBondContact O-N 2.73Å; V586-K590 HydrophobicContact CG1-CD 4.48Å; V586-K590 WeakPolarHBondContact O-CB 3.49Å; V586-K590 PolarHBondContact O-N 2.72Å
587	A	96.4	Very high	93.9	Very high	43 Å²	43	52.4 Å²	52.4	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-27.9	179.1	0	0	0	0	0	113.4	A583 H591	A583-A587 VanDerWaalsContact O-CB 3.25Å; A583-A587 WeakPolarHBondContact O-CB 3.41Å; A583-A587 PolarHBondContact O-N 3.42Å; A587-H591 WeakPolarHBondContact O-CB 3.3Å; A587-H591 PolarHBondContact O-N 2.81Å; A587-H591 VanDerWaalsContact O-N 3.12Å
588	F	97.3	Very high	92.9	Very high	5 Å²	5	54.2 Å²	54.2	2%	0.022	27%	0.273	C	S	.	.	I	π-helix	trans	-63.7	-53.1	171.8	167.4	-107.2	0	0	0	111.4	T418 I419 M422 Y423 T584 K585 V586 L592 V593	T418-F588 HydrophobicContact CG2-CE2 3.83Å; T418-F588 HydrophobicContact CG2-CZ 4.41Å; I419-F588 HydrophobicContact CG1-CE1 4.02Å; I419-F588 HydrophobicContact CG1-CZ 3.69Å; M422-F588 HydrophobicContact CB-CE1 4.44Å; M422-F588 HydrophobicContact CB-CE2 4.43Å; M422-F588 HydrophobicContact CB-CZ 4.33Å; M422-F588 HydrophobicContact CE-CB 3.9Å; M422-F588 HydrophobicContact CE-CD2 3.89Å; M422-F588 HydrophobicContact CE-CG 3.92Å; M422-F588 HydrophobicContact CG-CD2 3.86Å; M422-F588 HydrophobicContact CG-CE2 3.75Å; M422-F588 HydrophobicContact CG-CG 4.35Å; M422-F588 HydrophobicContact CG-CZ 4.13Å; Y423-F588 HydrophobicContact CE2-CD1 4.32Å; Y423-F588 HydrophobicContact CE2-CE1 4.12Å; T584-F588 VanDerWaalsContact O-CB 3.31Å; T584-F588 WeakPolarHBondContact O-CB 3.4Å; T584-F588 PolarHBondContact O-N 3.14Å; K585-F588 WeakPolarHBondContact O-CB 3.41Å; K585-F588 PolarHBondContact O-N 3.11Å; V586-F588 VanDerWaalsContact C-N 3.25Å; V586-F588 PolarHBondContact O-N 2.72Å; F588-L592 HydrophobicContact CD2-CB 4.09Å; F588-L592 HydrophobicContact CD2-CD2 3.92Å; F588-L592 HydrophobicContact CD2-CG 4.39Å; F588-L592 HydrophobicContact CE2-CD2 4.06Å; F588-L592 HydrophobicContact CE2-CG 4.45Å; F588-L592 WeakPolarHBondContact O-CB 3.26Å; F588-L592 PolarHBondContact O-N 2.91Å; F588-V593 HydrophobicContact CD1-CG2 4.31Å; F588-V593 HydrophobicContact CD2-CG2 4.32Å; F588-V593 HydrophobicContact CE1-CG2 3.73Å; F588-V593 HydrophobicContact CE2-CG2 3.73Å; F588-V593 HydrophobicContact CZ-CG2 3.41Å; F588-V593 VanDerWaalsContact CZ-CG2 3.41Å; F588-V593 PolarHBondContact O-N 2.93Å
589	W	96.4	Very high	91.4	Very high	8 Å²	8	51.4 Å²	51.4	3%	0.03	27%	0.266	C	S	.	.	I	π-helix	trans	-67.1	-48.6	177.9	-68.3	129.7	0	0	0	112	F401 I419 Y423 L442 H446 E450 K585 V586 H591 V593 P594	F401-W589 AromaticContact CE1-CH2 3.79Å; F401-W589 HydrophobicContact CE1-CH2 3.79Å; F401-W589 HydrophobicContact CE1-CZ2 4.44Å; F401-W589 HydrophobicContact CE1-CZ3 4.46Å; F401-W589 HydrophobicContact CZ-CH2 4.34Å; I419-W589 HydrophobicContact CD1-CH2 3.77Å; I419-W589 HydrophobicContact CD1-CZ3 3.8Å; I419-W589 HydrophobicContact CG1-CH2 3.83Å; I419-W589 HydrophobicContact CG1-CZ3 4.01Å; I419-W589 HydrophobicContact CG2-CH2 4.06Å; Y423-W589 AromaticContact CE2-CZ2 3.71Å; Y423-W589 HydrophobicContact CE2-CZ2 3.71Å; Y423-W589 AromaticContact CZ-NE1 3.96Å; Y423-W589 PolarHBondContact OH-NE1 2.86Å; L442-W589 HydrophobicContact CG-CZ2 4.25Å; H446-W589 HydrophobicContact CB-CD2 4.37Å; H446-W589 HydrophobicContact CB-CZ2 4.09Å; H446-W589 AromaticContact CD2-CD2 3.82Å; H446-W589 AromaticContact CD2-CE3 3.61Å; H446-W589 AromaticContact CD2-CZ3 3.81Å; E450-W589 HydrophobicContact CB-CB 4.24Å; E450-W589 HydrophobicContact CG-CB 3.92Å; K585-W589 VanDerWaalsContact O-CD1 3.28Å; K585-W589 PolarHBondContact O-N 3.28Å; K585-W589 VanDerWaalsContact O-N 3.08Å; V586-W589 PolarHBondContact O-N 2.73Å; W589-H591 VanDerWaalsContact C-N 3.35Å; W589-H591 PolarHBondContact O-N 3.25Å; W589-V593 HydrophobicContact CE3-CB 4.11Å; W589-V593 HydrophobicContact CE3-CG1 4.2Å; W589-V593 HydrophobicContact CE3-CG2 3.64Å; W589-V593 HydrophobicContact CZ3-CG1 4.36Å; W589-V593 HydrophobicContact CZ3-CG2 3.9Å; W589-P594 WeakPolarHBondContact O-CD 3.5Å
590	K	93.3	Very high	89.4	Confident	53 Å²	53	50.2 Å²	50.2	23%	0.23	26%	0.258	C	S	.	.	I	π-helix	trans	-67.2	-25.7	-175.7	-166.5	-178.3	177.7	-176.3	0	115.1	E450 V454 D457 V586	E450-K590 HydrophobicContact CG-CB 4.13Å; E450-K590 VanDerWaalsContact OE1-CA 3.24Å; E450-K590 WeakPolarHBondContact OE1-CA 3.17Å; E450-K590 VanDerWaalsContact OE1-CB 3.25Å; E450-K590 WeakPolarHBondContact OE1-CB 3.29Å; V454-K590 HydrophobicContact CG2-CD 3.86Å; V454-K590 HydrophobicContact CG2-CG 4Å; D457-K590 IonicContact OD2-NZ 2.8Å; D457-K590 PolarHBondContact OD2-NZ 3.44Å; V586-K590 HydrophobicContact CG1-CD 4.48Å; V586-K590 WeakPolarHBondContact O-CB 3.49Å; V586-K590 PolarHBondContact O-N 2.72Å
591	H	93.4	Very high	87.2	Confident	119 Å²	119	53.3 Å²	53.3	55%	0.551	27%	0.273	S	S	*	.	I	π-helix	trans	-130.2	-47.4	-172	-57	-40.4	0	0	0	114.5	A587 W589	A587-H591 WeakPolarHBondContact O-CB 3.3Å; A587-H591 PolarHBondContact O-N 2.81Å; A587-H591 VanDerWaalsContact O-N 3.12Å; W589-H591 VanDerWaalsContact C-N 3.35Å; W589-H591 PolarHBondContact O-N 3.25Å
592	L	93.1	Very high	84.6	Confident	70 Å²	70	58.9 Å²	58.9	37%	0.366	30%	0.302	S	S	.	.	I	π-helix	trans	-76.5	-41.8	-176.1	-175.5	57.3	0	0	0	111.8	T418 F588 H595 L596	T418-L592 HydrophobicContact CG2-CD2 4.32Å; F588-L592 HydrophobicContact CD2-CB 4.09Å; F588-L592 HydrophobicContact CD2-CD2 3.92Å; F588-L592 HydrophobicContact CD2-CG 4.39Å; F588-L592 HydrophobicContact CE2-CD2 4.06Å; F588-L592 HydrophobicContact CE2-CG 4.45Å; F588-L592 WeakPolarHBondContact O-CB 3.26Å; F588-L592 PolarHBondContact O-N 2.91Å; L592-H595 WeakPolarHBondContact O-CB 3.35Å; L592-H595 PolarHBondContact O-N 3.49Å; L592-L596 HydrophobicContact CD1-CD1 4.33Å; L592-L596 HydrophobicContact CD1-CD2 4.43Å; L592-L596 HydrophobicContact CD1-CG 4.05Å; L592-L596 HydrophobicContact CD2-CD1 4.43Å; L592-L596 HydrophobicContact CG-CD1 3.93Å; L592-L596 HydrophobicContact CG-CG 4.13Å; L592-L596 WeakPolarHBondContact O-CG 3.49Å; L592-L596 PolarHBondContact O-N 3.18Å
593	V	92	Very high	82.2	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-46.9	-175.8	168.3	0	0	0	0	113.4	Y406 L415 F588 W589 H595 L596 Y597	Y406-V593 HydrophobicContact CE1-CG1 3.88Å; Y406-V593 WeakPolarHBondContact OH-CG1 3.32Å; L415-V593 HydrophobicContact CD1-CB 4.18Å; L415-V593 HydrophobicContact CD1-CG1 3.69Å; L415-V593 HydrophobicContact CD1-CG2 3.77Å; L415-V593 HydrophobicContact CD2-CG1 4.46Å; F588-V593 HydrophobicContact CD1-CG2 4.31Å; F588-V593 HydrophobicContact CD2-CG2 4.32Å; F588-V593 HydrophobicContact CE1-CG2 3.73Å; F588-V593 HydrophobicContact CE2-CG2 3.73Å; F588-V593 HydrophobicContact CZ-CG2 3.41Å; F588-V593 VanDerWaalsContact CZ-CG2 3.41Å; F588-V593 PolarHBondContact O-N 2.93Å; W589-V593 HydrophobicContact CE3-CB 4.11Å; W589-V593 HydrophobicContact CE3-CG1 4.2Å; W589-V593 HydrophobicContact CE3-CG2 3.64Å; W589-V593 HydrophobicContact CZ3-CG1 4.36Å; W589-V593 HydrophobicContact CZ3-CG2 3.9Å; V593-H595 PolarHBondContact O-N 3.42Å; V593-L596 PolarHBondContact O-N 3.1Å; V593-L596 VanDerWaalsContact O-N 3.16Å; V593-Y597 WeakPolarHBondContact O-CB 3.46Å; V593-Y597 PolarHBondContact O-N 3.41Å
594	P	88.9	Confident	79.4	Confident	59 Å²	59	67.2 Å²	67.2	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-55.8	-37.4	170.2	-29.6	34.7	0	0	0	113.2	W589 N598	W589-P594 WeakPolarHBondContact O-CD 3.5Å; P594-N598 VanDerWaalsContact O-CB 3.3Å; P594-N598 WeakPolarHBondContact O-CB 3.15Å; P594-N598 PolarHBondContact O-N 3.05Å; P594-N598 PolarHBondContact O-ND2 2.96Å
595	H	87.6	Confident	76.5	Confident	106 Å²	106	73 Å²	73	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-67.2	-46	175.1	-175.7	64.5	0	0	0	112.1	L592 V593 Y597 N598 L599	L592-H595 WeakPolarHBondContact O-CB 3.35Å; L592-H595 PolarHBondContact O-N 3.49Å; V593-H595 PolarHBondContact O-N 3.42Å; H595-Y597 VanDerWaalsContact C-N 3.29Å; H595-Y597 PolarHBondContact O-N 3.34Å; H595-N598 PolarHBondContact O-N 3.41Å; H595-L599 WeakPolarHBondContact O-CG 3.28Å; H595-L599 PolarHBondContact O-N 3.15Å
596	L	84.6	Confident	73.4	Confident	23 Å²	23	76.2 Å²	76.2	12%	0.12	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-36.1	177.2	-70.8	176.7	0	0	0	112.6	T414 L415 T418 L592 V593 L599	T414-L596 HydrophobicContact CG2-CD2 4.21Å; L415-L596 HydrophobicContact CD1-CB 4.49Å; L415-L596 HydrophobicContact CD1-CD1 4.37Å; T418-L596 HydrophobicContact CG2-CD1 3.95Å; L592-L596 HydrophobicContact CD1-CD1 4.33Å; L592-L596 HydrophobicContact CD1-CD2 4.43Å; L592-L596 HydrophobicContact CD1-CG 4.05Å; L592-L596 HydrophobicContact CD2-CD1 4.43Å; L592-L596 HydrophobicContact CG-CD1 3.93Å; L592-L596 HydrophobicContact CG-CG 4.13Å; L592-L596 WeakPolarHBondContact O-CG 3.49Å; L592-L596 PolarHBondContact O-N 3.18Å; V593-L596 PolarHBondContact O-N 3.1Å; V593-L596 VanDerWaalsContact O-N 3.16Å; L596-L599 HydrophobicContact CD2-CD1 4.16Å
597	Y	77	Confident	70.4	Confident	103 Å²	103	80.3 Å²	80.3	40%	0.404	40%	0.4	S	S	.	.	H	α-helix	trans	-67.4	-48.6	174.3	-171.6	-95.3	0	0	0	111.3	Y406 P409 V593 H595 L599	Y406-Y597 AromaticContact CD1-CD2 3.91Å; Y406-Y597 HydrophobicContact CD1-CD2 3.91Å; Y406-Y597 HydrophobicContact CD1-CE2 4.13Å; P409-Y597 HydrophobicContact CB-CD2 4.37Å; P409-Y597 HydrophobicContact CB-CE2 3.95Å; P409-Y597 HydrophobicContact CG-CD2 4.16Å; P409-Y597 HydrophobicContact CG-CE2 3.88Å; V593-Y597 WeakPolarHBondContact O-CB 3.46Å; V593-Y597 PolarHBondContact O-N 3.41Å; H595-Y597 VanDerWaalsContact C-N 3.29Å; H595-Y597 PolarHBondContact O-N 3.34Å; Y597-L599 PolarHBondContact O-N 3.34Å
598	N	74.9	Confident	67.5	Low	80 Å²	80	84.4 Å²	84.4	43%	0.428	42%	0.421	S	S	.	.	H	α-helix	trans	-76.7	-16.3	-176.2	-68.5	-17.7	0	0	0	114.8	P594 H595 H600 E601	P594-N598 VanDerWaalsContact O-CB 3.3Å; P594-N598 WeakPolarHBondContact O-CB 3.15Å; P594-N598 PolarHBondContact O-N 3.05Å; P594-N598 PolarHBondContact O-ND2 2.96Å; H595-N598 PolarHBondContact O-N 3.41Å; N598-H600 PolarHBondContact O-N 3.05Å; N598-H600 VanDerWaalsContact O-N 3.1Å; N598-E601 PolarHBondContact O-N 3.12Å
599	L	66.2	Low	64.5	Low	52 Å²	52	89.4 Å²	89.4	27%	0.272	45%	0.452	S	S	.	.	H	α-helix	trans	-54.1	-32.4	-179.1	-95.2	174.3	0	0	0	113.1	H595 L596 Y597 F603	H595-L599 WeakPolarHBondContact O-CG 3.28Å; H595-L599 PolarHBondContact O-N 3.15Å; L596-L599 HydrophobicContact CD2-CD1 4.16Å; Y597-L599 PolarHBondContact O-N 3.34Å; L599-F603 WeakPolarHBondContact O-CD2 3.29Å
600	H	56.2	Low	61.5	Low	62 Å²	62	94.9 Å²	94.9	29%	0.287	49%	0.486	S	S	.	.	H	α-helix	trans	-80	-28.5	-174.3	-76.4	-95.5	0	0	0	114.1	D410 G411 N598 L602 F603 H604	D410-H600 HydrophobicContact CB-CB 4.32Å; D410-H600 WeakPolarHBondContact O-CB 3.36Å; D410-H600 PolarHBondContact O-CD2 2.75Å; G411-H600 VanDerWaalsContact CA-NE2 3.28Å; G411-H600 WeakPolarHBondContact CA-NE2 3.42Å; N598-H600 PolarHBondContact O-N 3.05Å; N598-H600 VanDerWaalsContact O-N 3.1Å; H600-L602 VanDerWaalsContact C-N 3.31Å; H600-L602 PolarHBondContact O-N 2.71Å; H600-F603 PolarHBondContact O-N 2.87Å; H600-H604 PolarHBondContact O-CD2 3.46Å; H600-H604 VanDerWaalsContact O-CD2 3.3Å
601	E	51	Low	58.6	Low	145 Å²	145	102.2 Å²	102.2	68%	0.678	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-37.6	173.3	-65.7	-152.4	141.9	0	0	112.3	N598 F603 H604	N598-E601 PolarHBondContact O-N 3.12Å; E601-F603 VanDerWaalsContact C-N 3.28Å; E601-F603 PolarHBondContact O-N 3.24Å; E601-H604 PolarHBondContact O-N 2.85Å; E601-H604 VanDerWaalsContact O-N 3.14Å
602	L	44.2	Very low	55.6	Low	123 Å²	123	102.7 Å²	102.7	64%	0.644	53%	0.529	S	S	*	.	H	α-helix	trans	-61.4	-32.2	179	-103.5	122.3	0	0	0	113.4	H600 T606	H600-L602 VanDerWaalsContact C-N 3.31Å; H600-L602 PolarHBondContact O-N 2.71Å; L602-T606 PolarHBondContact O-OG1 3.16Å; L602-T606 VanDerWaalsContact O-OG1 3.06Å
603	F	45.9	Very low	52.7	Low	111 Å²	111	104.5 Å²	104.5	49%	0.487	55%	0.545	S	S	.	.	H	α-helix	trans	-76.7	-20.4	178.1	-71	-64.7	0	0	0	113.6	L599 H600 E601 T606 S607	L599-F603 WeakPolarHBondContact O-CD2 3.29Å; H600-F603 PolarHBondContact O-N 2.87Å; E601-F603 VanDerWaalsContact C-N 3.28Å; E601-F603 PolarHBondContact O-N 3.24Å; F603-T606 WeakPolarHBondContact CA-OG1 3.37Å; F603-T606 PolarHBondContact O-OG1 2.64Å; F603-S607 WeakPolarHBondContact O-CB 3.31Å; F603-S607 PolarHBondContact O-N 3.14Å; F603-S607 PolarHBondContact O-OG 3.39Å
604	H	37.6	Very low	49.9	Very low	122 Å²	122	109.8 Å²	109.8	57%	0.565	58%	0.58	S	S	*	*	H	α-helix	trans	-74.5	-39	173.6	-77.4	-72.6	0	0	0	112.5	H600 E601 T606 S607	H600-H604 PolarHBondContact O-CD2 3.46Å; H600-H604 VanDerWaalsContact O-CD2 3.3Å; E601-H604 PolarHBondContact O-N 2.85Å; E601-H604 VanDerWaalsContact O-N 3.14Å; H604-T606 VanDerWaalsContact C-N 3.31Å; H604-T606 PolarHBondContact O-N 3.41Å; H604-S607 PolarHBondContact O-N 3.11Å
605	Y	34.8	Very low	47.2	Very low	210 Å²	210	113.1 Å²	113.1	82%	0.824	60%	0.601	S	S	*	*	H	α-helix	trans	-65.6	-30.9	175.2	-92.2	-82.5	0	0	0	113.6
606	T	33.7	Very low	44.4	Very low	96 Å²	96	116.3 Å²	116.3	59%	0.589	62%	0.616	S	S	*	*	H	α-helix	trans	-86.1	-12.2	179.2	41.1	0	0	0	0	114.3	L602 F603 H604 T608	L602-T606 PolarHBondContact O-OG1 3.16Å; L602-T606 VanDerWaalsContact O-OG1 3.06Å; F603-T606 WeakPolarHBondContact CA-OG1 3.37Å; F603-T606 PolarHBondContact O-OG1 2.64Å; H604-T606 VanDerWaalsContact C-N 3.31Å; H604-T606 PolarHBondContact O-N 3.41Å; T606-T608 VanDerWaalsContact C-N 3.32Å; T606-T608 PolarHBondContact O-N 3.11Å
607	S	33.3	Very low	41.8	Very low	95 Å²	95	122 Å²	122	66%	0.664	65%	0.652	S	S	*	*			trans	-87.7	23.8	-176.6	-68.1	0	0	0	0	115.6	F603 H604	F603-S607 WeakPolarHBondContact O-CB 3.31Å; F603-S607 PolarHBondContact O-N 3.14Å; F603-S607 PolarHBondContact O-OG 3.39Å; H604-S607 PolarHBondContact O-N 3.11Å
608	T	36	Very low	39.6	Very low	129 Å²	129	122.3 Å²	122.3	79%	0.791	67%	0.665	S	S	*	*			trans	-114.7	40.4	178.1	49.5	0	0	0	0	114.3	T606	T606-T608 VanDerWaalsContact C-N 3.32Å; T606-T608 PolarHBondContact O-N 3.11Å
609	T	34.7	Very low	38	Very low	109 Å²	109	123.8 Å²	123.8	67%	0.669	68%	0.679	S	S	*	*	S	Bend	trans	-133.5	128.2	167.1	-177.8	0	0	0	0	113.4
610	T	33.6	Very low	36.1	Very low	123 Å²	123	130.8 Å²	130.8	76%	0.755	71%	0.707	S	S	*	*			trans	43.9	82.6	166.4	55.4	0	0	0	0	118.7
611	K	31.1	Very low	34.6	Very low	208 Å²	208	132.7 Å²	132.7	90%	0.904	73%	0.728	S	S	*	*			trans	-87.4	115.6	142.4	-77.1	-172.4	178.4	177.7	0	109
612	V	31.8	Very low	33.5	Very low	129 Å²	129	132.6 Å²	132.6	78%	0.782	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-74.8	128.7	175.2	179.1	0	0	0	0	109.3
613	P	32.2	Very low	32.5	Very low	108 Å²	108	131 Å²	131	70%	0.701	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-71.4	139.3	175.8	-16.8	31	0	0	0	112
614	P	33.1	Very low	31.6	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-67.9	153.7	164.2	30.4	-33.6	0	0	0	110.7
615	P	32.8	Very low	31.2	Very low	129 Å²	129	135.6 Å²	135.6	84%	0.838	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-69.3	147.2	-172.8	27.6	-35.1	0	0	0	113.5
616	E	29	Very low	31.1	Very low	172 Å²	172	136.9 Å²	136.9	80%	0.804	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.3	141.5	-175.8	-58.8	-175.5	131.4	0	0	113.9
617	T	28.9	Very low	31.3	Very low	143 Å²	143	137.2 Å²	137.2	88%	0.877	77%	0.773	S	S	*	*			trans	-124.6	89.9	157.6	54.7	0	0	0	0	110.3
618	T	30.3	Very low	31.1	Very low	110 Å²	110	140.3 Å²	140.3	68%	0.675	78%	0.783	S	S	*	*			trans	-83.8	173.8	167	61	0	0	0	0	110.1
619	P	41.7	Very low	30.7	Very low	111 Å²	111	137.6 Å²	137.6	72%	0.721	78%	0.78	S	S	*	*			cis	-131.1	172	-5.1	40.4	-26	0	0	0	114.7
620	K	26.7	Very low	30.4	Very low	198 Å²	198	142.4 Å²	142.4	86%	0.861	79%	0.792	S	S	*	*			trans	-165.6	141	130.9	-106.5	154.2	-170.8	173.9	0	113.9
621	S	25.2	Very low	30	Very low	103 Å²	103	143.7 Å²	143.7	72%	0.72	79%	0.794	S	S	*	*			trans	-3.8	145.4	157.3	54.2	0	0	0	0	119.1
622	V	26.9	Very low	29.8	Very low	142 Å²	142	145.3 Å²	145.3	86%	0.861	79%	0.794	S	S	*	*				-140.1	157.7	52.1	165.8	0	0	0	0	113.6
623	S	23.9	Very low	30.2	Very low	90 Å²	90	142.9 Å²	142.9	63%	0.629	78%	0.782	S	S	*	*			trans	-103.3	146.9	-176.8	107.6	0	0	0	0	113.7
624	T	27.6	Very low	30	Very low	145 Å²	145	147.9 Å²	147.9	89%	0.89	79%	0.793	S	S	*	*			trans	-126	149.8	147.4	51.8	0	0	0	0	109.8
625	K	27.7	Very low	29.8	Very low	184 Å²	184	148.8 Å²	148.8	80%	0.8	79%	0.791	S	S	*	*			trans	-139.6	118.1	-172.6	-92.3	-176.8	176.1	174.7	0	112.1
626	R	33.6	Very low	29.6	Very low	238 Å²	238	149.2 Å²	149.2	90%	0.898	79%	0.792	S	S	*	*			trans	64.9	171.9	137.1	-82.3	-177	-174.8	-163.8	1.4	115.9
627	P	36.6	Very low	29.6	Very low	103 Å²	103	150.1 Å²	150.1	67%	0.669	79%	0.793	S	S	*	*			cis	-138.8	-179.9	23.3	44.4	-25.7	0	0	0	119
628	N	29.4	Very low	29.9	Very low	160 Å²	160	154.6 Å²	154.6	86%	0.856	79%	0.794	S	S	*	*			trans	68.1	135.6	166.7	-59	-14.3	0	0	0	118.1
629	G	27.9	Very low	30	Very low	72 Å²	72	155 Å²	155	74%	0.742	80%	0.798	S	S	*	*			cis	140.4	98.6	-17	0	0	0	0	0	115.4
630	K	28.3	Very low	29.5	Very low	209 Å²	209	156.1 Å²	156.1	91%	0.909	81%	0.806	S	S	*	*			trans	-164.5	132	155.3	-109.2	166.1	-175	178.3	0	109.5
631	N	25.2	Very low	29.5	Very low	150 Å²	150	154.9 Å²	154.9	80%	0.802	81%	0.805	S	S	*	*			trans	-108.5	152.9	169.3	-68.4	3.6	0	0	0	108.6
632	W	27.9	Very low	29.7	Very low	242 Å²	242	154.9 Å²	154.9	92%	0.917	81%	0.805	S	S	*	*				-171.4	165.7	111.9	-107.5	65.1	0	0	0	109.4
633	P	38.7	Very low	30.5	Very low	79 Å²	79	153.6 Å²	153.6	51%	0.513	80%	0.8	S	S	.	*			trans	-118.7	178.3	-137.6	43.8	-38.1	0	0	0	115.3
634	F	28.5	Very low	30.6	Very low	213 Å²	213	153.6 Å²	153.6	93%	0.934	81%	0.805	S	S	*	*			trans	-128.7	131.2	143.2	-95.9	-83.9	0	0	0	111.9
635	N	28.1	Very low	30.5	Very low	132 Å²	132	156.3 Å²	156.3	71%	0.706	80%	0.8	S	S	*	*			trans	-72.7	158	155.6	-88.8	-51.5	0	0	0	107.8
636	T	30.3	Very low	30.5	Very low	138 Å²	138	153.9 Å²	153.9	85%	0.847	80%	0.796	S	S	*	*				-149.3	168.5	54.6	40.3	0	0	0	0	114.5
637	K	29.1	Very low	30.2	Very low	191 Å²	191	146.7 Å²	146.7	83%	0.83	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-88.9	159.8	-179.8	-66.7	179.4	176.5	179.5	0	112.8
638	R	34.7	Very low	29.9	Very low	237 Å²	237	150.4 Å²	150.4	89%	0.894	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-58.5	152.5	161	-57.2	-179.8	179.9	177.3	-1.3	112.2
639	P	32.1	Very low	29.9	Very low	117 Å²	117	149.2 Å²	149.2	76%	0.76	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84.7	167.5	146.3	5.4	14.4	0	0	0	111.9
640	P	31	Very low	29.9	Very low	136 Å²	136	153.1 Å²	153.1	88%	0.883	78%	0.781	S	S	*	*			trans	-113	-157.1	-166.6	43.1	-33	0	0	0	114.8
641	M	27.1	Very low	29.8	Very low	172 Å²	172	148.8 Å²	148.8	85%	0.847	77%	0.767	S	S	*	*			trans	-103.8	161	-161.5	-145.2	175.8	-174.5	0	0	113.2
642	S	29	Very low	29.9	Very low	102 Å²	102	145.6 Å²	145.6	71%	0.713	76%	0.757	S	S	*	*			trans	71.3	169.9	150.4	-63.5	0	0	0	0	119
643	P	43.8	Very low	29.7	Very low	116 Å²	116	145.7 Å²	145.7	75%	0.753	76%	0.757	S	S	*	*			cis	-138.8	-178	-29.8	33.3	-13.4	0	0	0	115.4
644	A	25.8	Very low	29	Very low	89 Å²	89	145.8 Å²	145.8	74%	0.736	76%	0.76	S	S	*	*			trans	68.7	167.3	148.6	0	0	0	0	0	118.9
645	Y	26.4	Very low	28.9	Very low	203 Å²	203	143.1 Å²	143.1	80%	0.796	75%	0.75	S	S	*	*			cis	-165.9	163.8	-19.7	-140.9	-126.5	0	0	0	109.5
646	N	26.8	Very low	28.9	Very low	132 Å²	132	143.3 Å²	143.3	71%	0.706	75%	0.752	S	S	*	*			trans	63.9	159.1	158.5	-84	9.3	0	0	0	120.2
647	S	28.5	Very low	28.7	Very low	88 Å²	88	144.9 Å²	144.9	62%	0.615	75%	0.749	S	S	*	*			cis	-166.5	-170.2	-14.3	46.6	0	0	0	0	111.1
648	E	28.6	Very low	28.7	Very low	181 Å²	181	143.6 Å²	143.6	85%	0.846	75%	0.746	S	S	*	*			trans	84.1	132.8	166.8	-69.6	177.9	-154.5	0	0	118
649	D	29.7	Very low	28.2	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	74%	0.742	S	S	*	*			cis	-162.6	175	-13.1	-163.4	18.4	0	0	0	112.5
650	K	27.6	Very low	28.1	Very low	155 Å²	155	136.3 Å²	136.3	67%	0.674	74%	0.74	S	S	*	*			trans	78.8	146.1	164.7	-62.7	179.3	155	-78.2	0	117.9
651	D	26.8	Very low	28.5	Very low	117 Å²	117	136 Å²	136	63%	0.626	74%	0.738	S	S	*	*			cis	-163.1	148.8	-12.4	-97.3	-33.9	0	0	0	105.3
652	S	26.8	Very low	28.5	Very low	83 Å²	83	136 Å²	136	58%	0.58	74%	0.741	S	S	*	*			cis	-172.3	170.7	-14.8	48.2	0	0	0	0	109.9
653	W	24.2	Very low	28.6	Very low	244 Å²	244	137.7 Å²	137.7	92%	0.924	75%	0.746	S	S	*	*			trans	86.5	144.5	170.1	-59.2	92.3	0	0	0	121.6
654	S	24.5	Very low	28	Very low	82 Å²	82	138.5 Å²	138.5	57%	0.573	75%	0.749	S	S	*	*			trans	-101.4	-170.3	-177.1	48	0	0	0	0	111.1
655	E	27	Very low	28.3	Very low	156 Å²	156	141.5 Å²	141.5	73%	0.729	75%	0.753	S	S	*	*			cis	-165.4	157.4	26.1	-146.1	136.5	-102.3	0	0	112.2
656	D	27.4	Very low	28.7	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	75%	0.75	S	S	*	*			trans	62.7	143.7	152.4	-69.6	-10.1	0	0	0	127.5
657	E	26.7	Very low	29.7	Very low	171 Å²	171	137.5 Å²	137.5	80%	0.799	75%	0.751	S	S	*	*			trans	65.3	114	144.5	-73.3	-173.2	164.4	0	0	125.8
658	E	27.8	Very low	30.4	Very low	164 Å²	164	143.5 Å²	143.5	77%	0.766	76%	0.76	S	S	*	*				53.4	132	121.9	-97.6	-160.6	-178.9	0	0	125.3
659	T	25.6	Very low	31.2	Very low	130 Å²	130	140.1 Å²	140.1	80%	0.798	75%	0.748	S	S	*	*			trans	70.1	147.1	149.2	68.3	0	0	0	0	121.2
660	G	29.1	Very low	32.2	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	75%	0.752	S	S	*	*			trans	116.8	137.1	156.1	0	0	0	0	0	115.6
661	P	39.7	Very low	33.6	Very low	129 Å²	129	140.2 Å²	140.2	84%	0.838	75%	0.748	S	S	*	*			trans	-92.2	139.5	-177.1	35	-33.4	0	0	0	113.3
662	L	27.3	Very low	35.3	Very low	173 Å²	173	138.5 Å²	138.5	91%	0.906	74%	0.742	S	S	*	*			trans	-102.8	106.2	167.9	-80.6	171.6	0	0	0	112.1
663	V	31.6	Very low	37	Very low	136 Å²	136	141.3 Å²	141.3	82%	0.824	75%	0.746	S	S	*	*			trans	3.7	130.1	148.5	-176.5	0	0	0	0	117.6
664	V	30.2	Very low	39	Very low	133 Å²	133	134.9 Å²	134.9	81%	0.806	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-69	134.2	169.6	170.6	0	0	0	0	111.5
665	D	32.4	Very low	40.9	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-82.7	157.1	173.5	-137.2	-29.3	0	0	0	112.8
666	N	35.3	Very low	43.4	Very low	140 Å²	140	131.1 Å²	131.1	75%	0.749	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-83.1	129.5	-154.2	-159.3	17.6	0	0	0	114.6
667	P	47.7	Very low	46	Very low	110 Å²	110	129.2 Å²	129.2	71%	0.714	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-88.5	117.8	-171.7	32.4	-35.1	0	0	0	115.2
668	R	41.6	Very low	48.8	Very low	215 Å²	215	126.3 Å²	126.3	81%	0.811	70%	0.698	S	S	*	*			trans	-153.1	142	166.2	-80.2	-164.4	-175.1	157.4	2.6	109.3
669	D	46.3	Very low	51.4	Low	110 Å²	110	121 Å²	121	59%	0.588	68%	0.683	S	S	*	*	S	Bend	cis	-136.3	115.6	1.1	-78.7	-56	0	0	0	110.8
670	Y	49.5	Very low	54.5	Low	206 Å²	206	118.7 Å²	118.7	81%	0.808	67%	0.668	S	S	*	*	S	Bend	trans	-122.4	-6.6	168.6	-95.1	-82.1	0	0	0	113.1
671	S	59	Low	57.3	Low	84 Å²	84	117.2 Å²	117.2	59%	0.587	65%	0.653	S	S	*	*	H	α-helix	trans	-79.7	-31.1	-172.3	-172.2	0	0	0	0	113.1	S675	S671-S675 WeakPolarHBondContact O-CB 3.29Å; S671-S675 PolarHBondContact O-N 2.94Å; S671-S675 VanDerWaalsContact O-N 3.12Å; S671-S675 PolarHBondContact O-OG 3.4Å
672	T	61.6	Low	59.5	Low	82 Å²	82	113.7 Å²	113.7	50%	0.503	64%	0.635	S	S	.	*	H	α-helix	trans	-70.8	-53.6	-174.5	41.5	0	0	0	0	112.5	L674 S675 V676	T672-L674 PolarHBondContact O-N 2.94Å; T672-S675 PolarHBondContact O-N 3.06Å; T672-V676 WeakPolarHBondContact O-CG2 3.47Å; T672-V676 PolarHBondContact O-N 3.24Å
673	E	62.1	Low	62.4	Low	141 Å²	141	108.9 Å²	108.9	66%	0.659	62%	0.616	S	S	*	*	H	α-helix	trans	-65	-40.4	-176.9	-59	-170.6	156.7	0	0	112.4	V676 T677	E673-V676 PolarHBondContact O-N 3.12Å; E673-T677 WeakPolarHBondContact O-CB 3.33Å; E673-T677 PolarHBondContact O-N 3.48Å; E673-T677 PolarHBondContact O-OG1 2.91Å
674	L	65.9	Low	65.1	Low	110 Å²	110	107.2 Å²	107.2	58%	0.576	60%	0.601	S	S	*	*	H	α-helix	trans	-63.6	-44.2	174.5	-171.8	65.8	0	0	0	111.1	T672 T677 I678	T672-L674 PolarHBondContact O-N 2.94Å; L674-T677 PolarHBondContact O-N 3.14Å; L674-I678 HydrophobicContact CD1-CD1 4.38Å; L674-I678 HydrophobicContact CG-CD1 3.98Å; L674-I678 VanDerWaalsContact O-CG1 3.3Å; L674-I678 WeakPolarHBondContact O-CG1 3.41Å; L674-I678 PolarHBondContact O-N 3.3Å
675	S	65.6	Low	67.9	Low	66 Å²	66	106.7 Å²	106.7	46%	0.462	59%	0.593	S	S	.	*	H	α-helix	trans	-64.3	-40	177.9	-63.5	0	0	0	0	112.6	S671 T672 A679	S671-S675 WeakPolarHBondContact O-CB 3.29Å; S671-S675 PolarHBondContact O-N 2.94Å; S671-S675 VanDerWaalsContact O-N 3.12Å; S671-S675 PolarHBondContact O-OG 3.4Å; T672-S675 PolarHBondContact O-N 3.06Å; S675-A679 VanDerWaalsContact O-CB 3.29Å; S675-A679 WeakPolarHBondContact O-CB 3Å; S675-A679 PolarHBondContact O-N 3.33Å
676	V	79.3	Confident	70.7	Confident	93 Å²	93	106 Å²	106	56%	0.564	58%	0.584	S	S	*	*	H	α-helix	trans	-64.1	-44.9	174.3	169.4	0	0	0	0	110.7	T672 E673 I678 A679 V680	T672-V676 WeakPolarHBondContact O-CG2 3.47Å; T672-V676 PolarHBondContact O-N 3.24Å; E673-V676 PolarHBondContact O-N 3.12Å; V676-I678 PolarHBondContact O-N 3.4Å; V676-A679 PolarHBondContact O-N 3.37Å; V676-V680 HydrophobicContact CG1-CG2 4.48Å; V676-V680 WeakPolarHBondContact O-CG2 3.36Å; V676-V680 PolarHBondContact O-N 2.89Å
677	T	82.1	Confident	73.3	Confident	97 Å²	97	104.7 Å²	104.7	60%	0.595	58%	0.576	S	S	*	*	H	α-helix	trans	-61.5	-45	178.9	-56	0	0	0	0	111.5	E673 L674 V680 G681	E673-T677 WeakPolarHBondContact O-CB 3.33Å; E673-T677 PolarHBondContact O-N 3.48Å; E673-T677 PolarHBondContact O-OG1 2.91Å; L674-T677 PolarHBondContact O-N 3.14Å; T677-V680 PolarHBondContact O-N 3.3Å; T677-G681 PolarHBondContact O-N 3.42Å
678	I	85.1	Confident	74.9	Confident	109 Å²	109	104.1 Å²	104.1	56%	0.559	57%	0.567	S	S	*	*	H	α-helix	trans	-63.5	-43	175.6	-68.8	167.2	0	0	0	111.1	L674 V676 G681 A682	L674-I678 HydrophobicContact CD1-CD1 4.38Å; L674-I678 HydrophobicContact CG-CD1 3.98Å; L674-I678 VanDerWaalsContact O-CG1 3.3Å; L674-I678 WeakPolarHBondContact O-CG1 3.41Å; L674-I678 PolarHBondContact O-N 3.3Å; V676-I678 PolarHBondContact O-N 3.4Å; I678-G681 PolarHBondContact O-N 3.34Å; I678-A682 WeakPolarHBondContact O-CB 3.42Å; I678-A682 PolarHBondContact O-N 3.21Å
679	A	82.5	Confident	77.2	Confident	53 Å²	53	98 Å²	98	44%	0.438	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-40.2	179.2	0	0	0	0	0	112.8	S675 V676 S683	S675-A679 VanDerWaalsContact O-CB 3.29Å; S675-A679 WeakPolarHBondContact O-CB 3Å; S675-A679 PolarHBondContact O-N 3.33Å; V676-A679 PolarHBondContact O-N 3.37Å; A679-S683 WeakPolarHBondContact O-CB 3.1Å; A679-S683 PolarHBondContact O-N 3.41Å; A679-S683 PolarHBondContact O-OG 3.29Å
680	V	90.5	Very high	79.3	Confident	81 Å²	81	97.3 Å²	97.3	49%	0.491	55%	0.549	S	S	.	.	H	α-helix	trans	-66.5	-46.5	174.9	172.1	0	0	0	0	110.7	V676 T677 A682 S683 L684	V676-V680 HydrophobicContact CG1-CG2 4.48Å; V676-V680 WeakPolarHBondContact O-CG2 3.36Å; V676-V680 PolarHBondContact O-N 2.89Å; T677-V680 PolarHBondContact O-N 3.3Å; V680-A682 PolarHBondContact O-N 2.96Å; V680-S683 PolarHBondContact O-N 2.87Å; V680-L684 HydrophobicContact CG1-CD1 4.07Å; V680-L684 WeakPolarHBondContact O-CG 3.03Å; V680-L684 PolarHBondContact O-N 3.46Å
681	G	88.6	Confident	81.1	Confident	40 Å²	40	89.8 Å²	89.8	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-59	-46.3	176.9	0	0	0	0	0	113	T677 I678 S683 L684 L685	T677-G681 PolarHBondContact O-N 3.42Å; I678-G681 PolarHBondContact O-N 3.34Å; G681-S683 VanDerWaalsContact C-N 3.34Å; G681-S683 PolarHBondContact O-N 2.66Å; G681-L684 PolarHBondContact O-N 2.96Å; G681-L685 PolarHBondContact O-N 3.28Å
682	A	86.3	Confident	82.5	Confident	56 Å²	56	92.8 Å²	92.8	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-63.1	-38.5	175.7	0	0	0	0	0	112.5	I678 V680 L685 F686	I678-A682 WeakPolarHBondContact O-CB 3.42Å; I678-A682 PolarHBondContact O-N 3.21Å; V680-A682 PolarHBondContact O-N 2.96Å; A682-L685 PolarHBondContact O-N 3.4Å; A682-F686 WeakPolarHBondContact O-CB 3.45Å; A682-F686 PolarHBondContact O-N 2.88Å
683	S	87.4	Confident	83.8	Confident	72 Å²	72	91.5 Å²	91.5	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-65.6	-41.4	177.6	-60.9	0	0	0	0	112.3	A679 V680 G681 F686 L687	A679-S683 WeakPolarHBondContact O-CB 3.1Å; A679-S683 PolarHBondContact O-N 3.41Å; A679-S683 PolarHBondContact O-OG 3.29Å; V680-S683 PolarHBondContact O-N 2.87Å; G681-S683 VanDerWaalsContact C-N 3.34Å; G681-S683 PolarHBondContact O-N 2.66Å; S683-F686 PolarHBondContact O-N 3.02Å; S683-L687 PolarHBondContact O-N 3.37Å
684	L	87.9	Confident	84.8	Confident	100 Å²	100	87.6 Å²	87.6	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-67.2	-39.7	175.4	-69.7	170.8	0	0	0	112	V680 G681 L687 N688	V680-L684 HydrophobicContact CG1-CD1 4.07Å; V680-L684 WeakPolarHBondContact O-CG 3.03Å; V680-L684 PolarHBondContact O-N 3.46Å; G681-L684 PolarHBondContact O-N 2.96Å; L684-L687 PolarHBondContact O-N 3.47Å; L684-N688 PolarHBondContact O-N 2.91Å; L684-N688 PolarHBondContact O-ND2 3.07Å
685	L	89.9	Confident	85.6	Confident	122 Å²	122	87.5 Å²	87.5	64%	0.639	52%	0.521	S	S	*	.	H	α-helix	trans	-59	-47.2	172.5	-168	86.3	0	0	0	111	G681 A682 N688 V689	G681-L685 PolarHBondContact O-N 3.28Å; A682-L685 PolarHBondContact O-N 3.4Å; L685-N688 PolarHBondContact O-N 3.36Å; L685-V689 WeakPolarHBondContact O-CG2 3.35Å; L685-V689 PolarHBondContact O-N 3.22Å
686	F	89.9	Confident	86.4	Confident	139 Å²	139	92.5 Å²	92.5	61%	0.61	53%	0.531	S	S	*	.	H	α-helix	trans	-66.3	-38.9	-178.6	-149.2	-88	0	0	0	112.2	A682 S683 V689 L690	A682-F686 WeakPolarHBondContact O-CB 3.45Å; A682-F686 PolarHBondContact O-N 2.88Å; S683-F686 PolarHBondContact O-N 3.02Å; F686-V689 PolarHBondContact O-N 3.5Å; F686-L690 HydrophobicContact CD1-CD1 3.71Å; F686-L690 HydrophobicContact CD1-CG 4.02Å; F686-L690 HydrophobicContact CE1-CD1 3.93Å; F686-L690 HydrophobicContact CE1-CD2 4.37Å; F686-L690 HydrophobicContact CE1-CG 4.11Å; F686-L690 WeakPolarHBondContact O-CB 3.3Å; F686-L690 WeakPolarHBondContact O-CG 3.36Å; F686-L690 PolarHBondContact O-N 2.88Å
687	L	89.8	Confident	86.6	Confident	112 Å²	112	96 Å²	96	59%	0.586	54%	0.536	S	S	*	.	H	α-helix	trans	-60.3	-43.7	171.9	-88.4	166.2	0	0	0	112.3	S683 L684 L690 A691	S683-L687 PolarHBondContact O-N 3.37Å; L684-L687 PolarHBondContact O-N 3.47Å; L687-L690 PolarHBondContact O-N 3.15Å; L687-A691 WeakPolarHBondContact O-CB 3.31Å; L687-A691 PolarHBondContact O-N 3.32Å
688	N	82.5	Confident	86.3	Confident	99 Å²	99	100 Å²	100	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-63.8	-43.9	176	-77.5	-35.7	0	0	0	111.9	L684 L685 L690 A691 F692	L684-N688 PolarHBondContact O-N 2.91Å; L684-N688 PolarHBondContact O-ND2 3.07Å; L685-N688 PolarHBondContact O-N 3.36Å; N688-L690 VanDerWaalsContact C-N 3.35Å; N688-L690 PolarHBondContact O-N 2.91Å; N688-A691 PolarHBondContact O-N 3.27Å; N688-F692 VanDerWaalsContact O-CD2 3.24Å; N688-F692 WeakPolarHBondContact O-CD2 3.31Å; N688-F692 PolarHBondContact O-N 2.9Å
689	V	90.2	Very high	85.8	Confident	86 Å²	86	101.3 Å²	101.3	52%	0.521	54%	0.541	S	S	.	.	H	α-helix	trans	-60.4	-43.6	175.5	171.5	0	0	0	0	111.4	L685 F686 F692 A693	L685-V689 WeakPolarHBondContact O-CG2 3.35Å; L685-V689 PolarHBondContact O-N 3.22Å; F686-V689 PolarHBondContact O-N 3.5Å; V689-F692 PolarHBondContact O-N 3.43Å; V689-A693 WeakPolarHBondContact O-CB 3.41Å; V689-A693 PolarHBondContact O-N 2.69Å
690	L	89.6	Confident	85.5	Confident	95 Å²	95	101.6 Å²	101.6	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-38.5	175.3	-72.5	173	0	0	0	112.5	F686 L687 N688 A693 A694	F686-L690 HydrophobicContact CD1-CD1 3.71Å; F686-L690 HydrophobicContact CD1-CG 4.02Å; F686-L690 HydrophobicContact CE1-CD1 3.93Å; F686-L690 HydrophobicContact CE1-CD2 4.37Å; F686-L690 HydrophobicContact CE1-CG 4.11Å; F686-L690 WeakPolarHBondContact O-CB 3.3Å; F686-L690 WeakPolarHBondContact O-CG 3.36Å; F686-L690 PolarHBondContact O-N 2.88Å; L687-L690 PolarHBondContact O-N 3.15Å; N688-L690 VanDerWaalsContact C-N 3.35Å; N688-L690 PolarHBondContact O-N 2.91Å; L690-A693 PolarHBondContact O-N 2.7Å; L690-A694 VanDerWaalsContact O-CB 3.3Å; L690-A694 WeakPolarHBondContact O-CB 3.28Å; L690-A694 PolarHBondContact O-N 3.44Å
691	A	88.3	Confident	84.5	Confident	49 Å²	49	103 Å²	103	41%	0.405	54%	0.535	S	S	.	.	H	α-helix	trans	-64.5	-44.7	175.7	0	0	0	0	0	111.9	L687 N688 A694 L695	L687-A691 WeakPolarHBondContact O-CB 3.31Å; L687-A691 PolarHBondContact O-N 3.32Å; N688-A691 PolarHBondContact O-N 3.27Å; A691-A694 PolarHBondContact O-N 2.94Å; A691-L695 WeakPolarHBondContact O-CB 3.35Å; A691-L695 WeakPolarHBondContact O-CG 3.47Å; A691-L695 PolarHBondContact O-N 2.94Å
692	F	88.1	Confident	83.4	Confident	147 Å²	147	109.4 Å²	109.4	65%	0.645	55%	0.547	S	S	*	.	H	α-helix	trans	-65.4	-41.2	174.6	-80.4	-66.6	0	0	0	112.5	N688 V689 L695 Y696	N688-F692 VanDerWaalsContact O-CD2 3.24Å; N688-F692 WeakPolarHBondContact O-CD2 3.31Å; N688-F692 PolarHBondContact O-N 2.9Å; V689-F692 PolarHBondContact O-N 3.43Å; F692-L695 PolarHBondContact O-N 2.85Å; F692-Y696 WeakPolarHBondContact O-CB 3.37Å; F692-Y696 PolarHBondContact O-N 3.15Å
693	A	87.8	Confident	82.3	Confident	54 Å²	54	115.2 Å²	115.2	45%	0.446	56%	0.557	S	S	.	*	H	α-helix	trans	-61.9	-42.7	174.4	0	0	0	0	0	112.1	V689 L690 Y696 Y697	V689-A693 WeakPolarHBondContact O-CB 3.41Å; V689-A693 PolarHBondContact O-N 2.69Å; L690-A693 PolarHBondContact O-N 2.7Å; A693-Y696 PolarHBondContact O-N 3.14Å; A693-Y697 WeakPolarHBondContact O-CB 3.33Å; A693-Y697 PolarHBondContact O-N 3.33Å
694	A	84.2	Confident	80.8	Confident	59 Å²	59	118.1 Å²	118.1	49%	0.488	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-41.8	175.6	0	0	0	0	0	112.2	L690 A691 R698	L690-A694 VanDerWaalsContact O-CB 3.3Å; L690-A694 WeakPolarHBondContact O-CB 3.28Å; L690-A694 PolarHBondContact O-N 3.44Å; A691-A694 PolarHBondContact O-N 2.94Å; A694-R698 VanDerWaalsContact O-CB 3.23Å; A694-R698 WeakPolarHBondContact O-CB 3.29Å; A694-R698 PolarHBondContact O-N 3.1Å
695	L	82.4	Confident	79.1	Confident	109 Å²	109	119.1 Å²	119.1	57%	0.571	57%	0.568	S	S	*	*	H	α-helix	trans	-63.7	-41.4	174	-74.9	169.5	0	0	0	112	A691 F692 R698 K699	A691-L695 WeakPolarHBondContact O-CB 3.35Å; A691-L695 WeakPolarHBondContact O-CG 3.47Å; A691-L695 PolarHBondContact O-N 2.94Å; F692-L695 PolarHBondContact O-N 2.85Å; L695-R698 PolarHBondContact O-N 3.08Å; L695-K699 WeakPolarHBondContact O-CB 3.36Å; L695-K699 PolarHBondContact O-N 3Å
696	Y	83.1	Confident	77.2	Confident	170 Å²	170	118.2 Å²	118.2	67%	0.667	57%	0.572	S	S	*	*	H	α-helix	trans	-64.1	-48.7	176.9	-168.7	-84.6	0	0	0	111.5	F692 A693 R698 K699 D700	F692-Y696 WeakPolarHBondContact O-CB 3.37Å; F692-Y696 PolarHBondContact O-N 3.15Å; A693-Y696 PolarHBondContact O-N 3.14Å; Y696-R698 VanDerWaalsContact C-N 3.31Å; Y696-R698 PolarHBondContact O-N 2.74Å; Y696-K699 WeakPolarHBondContact O-CA 3.42Å; Y696-K699 WeakPolarHBondContact O-CB 3.38Å; Y696-K699 PolarHBondContact O-N 2.62Å; Y696-D700 PolarHBondContact O-N 3.35Å
697	Y	81.4	Confident	75.2	Confident	168 Å²	168	114 Å²	114	66%	0.659	57%	0.568	S	S	*	*	H	α-helix	trans	-59.9	-39.9	175.8	-175.7	-102.6	0	0	0	112.2	A693 K699 D700 K701	A693-Y697 WeakPolarHBondContact O-CB 3.33Å; A693-Y697 PolarHBondContact O-N 3.33Å; Y697-K699 VanDerWaalsContact C-N 3.29Å; Y697-K699 PolarHBondContact O-N 2.88Å; Y697-D700 PolarHBondContact O-N 3.03Å; Y697-K701 WeakPolarHBondContact O-CB 3.44Å; Y697-K701 PolarHBondContact O-N 3.05Å
698	R	77.3	Confident	73.2	Confident	179 Å²	179	118 Å²	118	68%	0.675	58%	0.583	S	S	*	*	H	α-helix	trans	-69.8	-24.3	176.3	-156.5	175.4	-167.7	-168.9	3.7	113	A694 L695 Y696 R702	A694-R698 VanDerWaalsContact O-CB 3.23Å; A694-R698 WeakPolarHBondContact O-CB 3.29Å; A694-R698 PolarHBondContact O-N 3.1Å; L695-R698 PolarHBondContact O-N 3.08Å; Y696-R698 VanDerWaalsContact C-N 3.31Å; Y696-R698 PolarHBondContact O-N 2.74Å; R698-R702 WeakPolarHBondContact O-CG 3.28Å
699	K	74.9	Confident	70.8	Confident	137 Å²	137	116.9 Å²	116.9	60%	0.596	60%	0.595	S	S	*	*	H	α-helix	trans	-79.1	-40.3	171.8	-175.9	179.7	-179	178.5	0	111.8	L695 Y696 Y697 R703	L695-K699 WeakPolarHBondContact O-CB 3.36Å; L695-K699 PolarHBondContact O-N 3Å; Y696-K699 WeakPolarHBondContact O-CA 3.42Å; Y696-K699 WeakPolarHBondContact O-CB 3.38Å; Y696-K699 PolarHBondContact O-N 2.62Å; Y697-K699 VanDerWaalsContact C-N 3.29Å; Y697-K699 PolarHBondContact O-N 2.88Å; K699-R703 PolarHBondContact O-N 3.11Å
700	D	75.5	Confident	68	Low	60 Å²	60	122 Å²	122	32%	0.321	61%	0.614	S	S	.	*	H	α-helix	trans	-71.6	-41.5	179.1	-165.4	61.2	0	0	0	112.3	Y696 Y697 R702 R703 Q704	Y696-D700 PolarHBondContact O-N 3.35Å; Y697-D700 PolarHBondContact O-N 3.03Å; D700-R702 VanDerWaalsContact C-N 3.27Å; D700-R702 PolarHBondContact O-N 3.07Å; D700-R703 WeakPolarHBondContact O-CA 3.37Å; D700-R703 WeakPolarHBondContact O-CB 3.24Å; D700-R703 PolarHBondContact O-N 2.99Å; D700-Q704 PolarHBondContact O-N 3.09Å; D700-Q704 VanDerWaalsContact O-N 3.11Å; D700-Q704 PolarHBondContact OD2-NE2 3.38Å; D700-Q704 VanDerWaalsContact OD2-NE2 3.11Å
701	K	69.8	Low	65.4	Low	110 Å²	110	123.1 Å²	123.1	48%	0.478	63%	0.627	S	S	.	*	H	α-helix	trans	-56.2	-40.6	173.7	-175.9	166.8	-178.1	171.8	0	112.5	Y697 R703 Q704 D705	Y697-K701 WeakPolarHBondContact O-CB 3.44Å; Y697-K701 PolarHBondContact O-N 3.05Å; K701-R703 PolarHBondContact O-N 3.36Å; K701-Q704 PolarHBondContact O-N 3.37Å; K701-Q704 VanDerWaalsContact O-N 3.14Å; K701-D705 PolarHBondContact O-N 2.78Å
702	R	66.1	Low	62.7	Low	175 Å²	175	126.5 Å²	126.5	66%	0.66	65%	0.647	S	S	*	*	H	α-helix	trans	-62.6	-25.2	173.4	-75.4	179.8	177.5	-169.8	-0	113.8	R698 D700 S706	R698-R702 WeakPolarHBondContact O-CG 3.28Å; D700-R702 VanDerWaalsContact C-N 3.27Å; D700-R702 PolarHBondContact O-N 3.07Å; R702-S706 PolarHBondContact O-N 3.38Å; R702-S706 PolarHBondContact O-OG 2.85Å
703	R	61.6	Low	60.3	Low	177 Å²	177	125.7 Å²	125.7	67%	0.668	66%	0.657	S	S	*	*	H	α-helix	trans	-76.7	-38.7	172.9	-72.6	-179.7	157.4	-169	-8.9	111.5	K699 D700 K701 S706	K699-R703 PolarHBondContact O-N 3.11Å; D700-R703 WeakPolarHBondContact O-CA 3.37Å; D700-R703 WeakPolarHBondContact O-CB 3.24Å; D700-R703 PolarHBondContact O-N 2.99Å; K701-R703 PolarHBondContact O-N 3.36Å; R703-S706 WeakPolarHBondContact O-CB 3.05Å; R703-S706 PolarHBondContact O-N 2.83Å
704	Q	56.9	Low	57.6	Low	134 Å²	134	132.3 Å²	132.3	63%	0.626	68%	0.678	S	S	*	*	H	α-helix	trans	-68.7	-43.4	176.1	-61.4	-176.8	12.3	0	0	111.8	D700 K701 S706 G707	D700-Q704 PolarHBondContact O-N 3.09Å; D700-Q704 VanDerWaalsContact O-N 3.11Å; D700-Q704 PolarHBondContact OD2-NE2 3.38Å; D700-Q704 VanDerWaalsContact OD2-NE2 3.11Å; K701-Q704 PolarHBondContact O-N 3.37Å; K701-Q704 VanDerWaalsContact O-N 3.14Å; Q704-S706 PolarHBondContact O-N 2.82Å; Q704-S706 VanDerWaalsContact O-N 3.15Å; Q704-G707 PolarHBondContact O-N 3.41Å
705	D	52.4	Low	54.9	Low	120 Å²	120	141.5 Å²	141.5	64%	0.642	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-18.9	175.4	-66.3	-30	0	0	0	112.7	K701 G707	K701-D705 PolarHBondContact O-N 2.78Å; D705-G707 VanDerWaalsContact C-N 3.34Å
706	S	50.3	Low	52.4	Low	103 Å²	103	145 Å²	145	72%	0.72	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-1.3	173.3	-57.9	0	0	0	0	114	R702 R703 Q704	R702-S706 PolarHBondContact O-N 3.38Å; R702-S706 PolarHBondContact O-OG 2.85Å; R703-S706 WeakPolarHBondContact O-CB 3.05Å; R703-S706 PolarHBondContact O-N 2.83Å; Q704-S706 PolarHBondContact O-N 2.82Å; Q704-S706 VanDerWaalsContact O-N 3.15Å
707	G	46.8	Very low	49.8	Very low	52 Å²	52	143.1 Å²	143.1	54%	0.536	72%	0.72	S	S	.	*			trans	-97.6	6.4	-161.9	0	0	0	0	0	117.8	Q704 D705	Q704-G707 PolarHBondContact O-N 3.41Å; D705-G707 VanDerWaalsContact C-N 3.34Å
708	H	47.1	Very low	47.3	Very low	194 Å²	194	141.6 Å²	141.6	90%	0.898	73%	0.729	S	S	*	*			trans	-129.3	103.4	-175.2	-79.4	15.7	0	0	0	111.9
709	G	32.1	Very low	45	Very low	76 Å²	76	137 Å²	137	78%	0.784	73%	0.728	S	S	*	*			trans	-157.7	24	-169.2	0	0	0	0	0	118.2
710	Q	32.7	Very low	42.9	Very low	195 Å²	195	137.3 Å²	137.3	91%	0.911	74%	0.737	S	S	*	*			trans	61.9	160.8	171.1	-82.3	-172.6	-39.1	0	0	119.4
711	P	35.5	Very low	40.7	Very low	118 Å²	118	140.2 Å²	140.2	77%	0.766	75%	0.753	S	S	*	*			trans	-105.8	161.8	-170.2	40	-34.5	0	0	0	115.3
712	S	30	Very low	38.9	Very low	119 Å²	119	141.7 Å²	141.7	83%	0.832	76%	0.764	S	S	*	*			trans	-107	153.4	170.5	-66.9	0	0	0	0	112
713	P	37.8	Very low	37	Very low	130 Å²	130	136.4 Å²	136.4	84%	0.844	76%	0.764	S	S	*	*			trans	-84.6	165.7	-166.2	33.4	-37.2	0	0	0	115.8
714	Q	31.8	Very low	35.5	Very low	193 Å²	193	136.7 Å²	136.7	90%	0.902	77%	0.773	S	S	*	*			trans	-68.6	154.9	-179.6	-60	169.4	-50.9	0	0	114.1
715	R	28.2	Very low	34.2	Very low	252 Å²	252	138.4 Å²	138.4	95%	0.951	78%	0.78	S	S	*	*			trans	-143.3	153.1	144	-148.6	170.2	-173.3	177.3	1.2	110.9
716	Q	28.9	Very low	33.1	Very low	183 Å²	183	136.9 Å²	136.9	86%	0.855	79%	0.785	S	S	*	*			trans	-95.4	166.4	-163.7	-71.9	171.6	-60	0	0	115.2
717	T	29	Very low	32.9	Very low	130 Å²	130	136.4 Å²	136.4	80%	0.798	78%	0.779	S	S	*	*			trans	-62.2	140.7	-179.9	48.4	0	0	0	0	117.2
718	T	28	Very low	32	Very low	137 Å²	137	141.9 Å²	141.9	84%	0.84	79%	0.791	S	S	*	*			trans	-163.4	123.2	130.4	36.3	0	0	0	0	106.1
719	A	29.9	Very low	31.2	Very low	81 Å²	81	140.3 Å²	140.3	67%	0.669	78%	0.784	S	S	*	*			cis	93.8	129.9	45.4	0	0	0	0	0	112.9
720	N	31.1	Very low	31	Very low	144 Å²	144	143.9 Å²	143.9	77%	0.77	78%	0.78	S	S	*	*			trans	69	147.2	175.1	-60.7	60.7	0	0	0	115.6
721	D	28.8	Very low	30.8	Very low	122 Å²	122	140 Å²	140	65%	0.652	76%	0.764	S	S	*	*			cis	-158.2	171.3	-10.7	-125.9	-36.2	0	0	0	112.5
722	I	31.2	Very low	30.4	Very low	140 Å²	140	141.9 Å²	141.9	72%	0.718	77%	0.765	S	S	*	*			trans	41	123.7	152.6	-61	156.8	0	0	0	119.2
723	G	27.6	Very low	30.2	Very low	65 Å²	65	141 Å²	141	67%	0.67	76%	0.759	S	S	*	*			trans	-111.1	173.5	163.2	0	0	0	0	0	113.1
724	H	30.4	Very low	29.7	Very low	182 Å²	182	141.6 Å²	141.6	84%	0.843	75%	0.754	S	S	*	*			trans	-154.3	169.8	165.9	-107.8	-78	0	0	0	113
725	H	27.9	Very low	29.5	Very low	170 Å²	170	139.7 Å²	139.7	79%	0.787	75%	0.745	S	S	*	*			trans	-78.1	143.8	-163.1	-76.6	-111.6	0	0	0	117.5
726	A	29.3	Very low	29.5	Very low	88 Å²	88	134 Å²	134	73%	0.727	73%	0.731	S	S	*	*				63.8	-174.9	129.2	0	0	0	0	0	119.2
727	P	47.3	Very low	29.3	Very low	94 Å²	94	130 Å²	130	61%	0.61	72%	0.716	S	S	*	*				-132.7	-174.4	-74.8	41.2	-26.7	0	0	0	113.8
728	E	28	Very low	29.2	Very low	167 Å²	167	131.5 Å²	131.5	78%	0.78	71%	0.713	S	S	*	*			trans	65.2	161.7	157.9	-71.4	149.6	-168	0	0	115.6
729	E	29.2	Very low	29.1	Very low	160 Å²	160	130 Å²	130	75%	0.748	70%	0.704	S	S	*	*			cis	-154.4	175.5	-8.1	-132.5	178.5	174.2	0	0	111.5
730	E	28.6	Very low	29	Very low	151 Å²	151	133.2 Å²	133.2	71%	0.706	71%	0.705	S	S	*	*			trans	55.5	129.8	147.2	-70.4	-146.3	128.3	0	0	126.2
731	I	29	Very low	28.8	Very low	114 Å²	114	134.5 Å²	134.5	59%	0.585	71%	0.706	S	S	*	*				82	130.6	128.5	-71.1	180	0	0	0	123.6
732	M	26	Very low	28.7	Very low	157 Å²	157	136.2 Å²	136.2	77%	0.773	71%	0.71	S	S	*	*			trans	8.5	144	150.2	-42.4	175.9	-143.6	0	0	119.7
733	S	27.3	Very low	28.4	Very low	101 Å²	101	135 Å²	135	71%	0.706	71%	0.713	S	S	*	*				177.5	156.4	61.5	45.4	0	0	0	0	115.3
734	L	26.7	Very low	28.3	Very low	143 Å²	143	140.6 Å²	140.6	75%	0.749	72%	0.722	S	S	*	*			trans	48	136.5	140.4	-70.2	166.2	0	0	0	123.6
735	Q	27.7	Very low	28.1	Very low	152 Å²	152	137 Å²	137	71%	0.71	72%	0.724	S	S	*	*			trans	73	151.9	139.3	-77.8	-177.7	-70.8	0	0	119.3
736	M	27.1	Very low	28	Very low	132 Å²	132	132.7 Å²	132.7	65%	0.65	73%	0.725	S	S	*	*			cis	-165.4	178.9	-19.3	-161.1	163.3	76.1	0	0	108.6
737	N	24.8	Very low	27.9	Very low	101 Å²	101	136.6 Å²	136.6	54%	0.54	73%	0.734	S	S	.	*			trans	77.9	118.6	161.3	-74.6	-13.2	0	0	0	116.9
738	Q	26.9	Very low	26.9	Very low	160 Å²	160	137.6 Å²	137.6	75%	0.748	74%	0.743	S	S	*	*				82.5	140.2	90.8	-69.9	173.3	-12.9	0	0	112.3
739	T	26.2	Very low	26.8	Very low	106 Å²	106	136.3 Å²	136.3	65%	0.65	74%	0.741	S	S	*	*			cis	-163	168.2	1	9.7	0	0	0	0	111.2
740	H	27.3	Very low	26.7	Very low	149 Å²	149	137.4 Å²	137.4	69%	0.69	75%	0.747	S	S	*	*			trans	24.7	125.5	152.5	-60.9	-74.4	0	0	0	120.7
741	H	27.8	Very low	26.6	Very low	171 Å²	171	133.9 Å²	133.9	79%	0.792	75%	0.751	S	S	*	*				-168.1	-176.9	87.6	-108.2	-63.7	0	0	0	113.1
742	E	26.3	Very low	26.5	Very low	157 Å²	157	133.3 Å²	133.3	73%	0.734	76%	0.763	S	S	*	*			trans	-119.3	158.8	-161.1	-63.4	160.3	106.6	0	0	113.8
743	C	24.4	Very low	26.5	Very low	115 Å²	115	134.4 Å²	134.4	78%	0.777	77%	0.771	S	S	*	*			trans	79.6	138.4	143.8	-78.9	0	0	0	0	124.5
744	E	25.9	Very low	26.4	Very low	182 Å²	182	140.9 Å²	140.9	85%	0.85	78%	0.78	S	S	*	*			trans	76	98.8	144.5	-69.2	-174.3	156.7	0	0	123.5
745	A	26.7	Very low	26.4	Very low	107 Å²	107	142.7 Å²	142.7	88%	0.884	79%	0.789	S	S	*	*				68.6	121.3	117.1	0	0	0	0	0	122
746	G	25.4	Very low	26.4	Very low	79 Å²	79	139.5 Å²	139.5	81%	0.814	79%	0.789	S	S	*	*			trans	178	127.8	162.4	0	0	0	0	0	113.3
747	N	26.7	Very low	26.3	Very low	171 Å²	171	138.7 Å²	138.7	91%	0.914	80%	0.797	S	S	*	*			trans	-86.9	137.5	177.7	-79.4	-24.3	0	0	0	112.3
748	S	26.2	Very low	26.4	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	81%	0.81	S	S	*	*				177.3	139.2	119	56.6	0	0	0	0	114.4
749	N	26.9	Very low	26.5	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	81%	0.808	S	S	*	*			trans	24.6	137.5	153.7	-76	27.2	0	0	0	124.4
750	E	27	Very low	26.4	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	81%	0.813	S	S	*	*			trans	62.2	121.3	139.8	-65.5	180	134.6	0	0	120.9
751	G	25.7	Very low	26.4	Very low	77 Å²	77	144.2 Å²	144.2	79%	0.794	82%	0.822	S	S	*	*			trans	139.9	127.4	152.1	0	0	0	0	0	116.4
752	A	27.2	Very low	26.4	Very low	101 Å²	101	141.2 Å²	141.2	84%	0.835	82%	0.816	S	S	*	*			trans	50.7	72.8	155.8	0	0	0	0	0	118.3	R754	A752-R754 PolarHBondContact O-N 3.11Å
753	L	26.6	Very low	26.6	Very low	181 Å²	181	141 Å²	141	95%	0.948	82%	0.819	S	S	*	*			trans	-58.8	121.2	152	-90.4	169.5	0	0	0	109.3
754	R	25.6	Very low	27	Very low	237 Å²	237	141 Å²	141	89%	0.894	82%	0.816	S	S	*	*			trans	-67.6	138.3	171.6	-74.1	-176.3	172.3	-169.5	-2.2	109.9	A752 A756	A752-R754 PolarHBondContact O-N 3.11Å; R754-A756 VanDerWaalsContact C-N 3.34Å; R754-A756 PolarHBondContact O-N 2.96Å
755	L	26.6	Very low	27.1	Very low	180 Å²	180	140.7 Å²	140.7	94%	0.942	82%	0.819	S	S	*	*			trans	-73.4	87	173.8	-162.2	78.2	0	0	0	109.9
756	A	27.1	Very low	27.8	Very low	85 Å²	85	141.9 Å²	141.9	70%	0.702	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-73.6	139.5	164.9	0	0	0	0	0	109.4	R754 L758	R754-A756 VanDerWaalsContact C-N 3.34Å; R754-A756 PolarHBondContact O-N 2.96Å; A756-L758 PolarHBondContact O-N 2.74Å
757	S	25.8	Very low	28.6	Very low	116 Å²	116	144.3 Å²	144.3	81%	0.811	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65	121	-176.1	49.2	0	0	0	0	112.1
758	L	25.5	Very low	29.3	Very low	158 Å²	158	137.2 Å²	137.2	83%	0.827	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-66.8	136.1	160.2	-77.2	149.8	0	0	0	109	A756	A756-L758 PolarHBondContact O-N 2.74Å
759	P	29.2	Very low	30.3	Very low	107 Å²	107	132.6 Å²	132.6	70%	0.695	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-71.8	136.4	164.8	30.1	-32.5	0	0	0	109.9	Y761	P759-Y761 PolarHBondContact O-N 3.26Å
760	D	24.4	Very low	31.2	Very low	143 Å²	143	128.9 Å²	128.9	77%	0.765	70%	0.696	S	S	*	*			trans	-66.6	113.7	-172.5	-82.2	-61.4	0	0	0	113.4	T762	D760-T762 VanDerWaalsContact C-N 3.28Å; D760-T762 HydrophobicContact CB-CG2 4.37Å; D760-T762 PolarHBondContact O-N 3.49Å; D760-T762 VanDerWaalsContact O-N 3.12Å
761	Y	28	Very low	31.9	Very low	224 Å²	224	125 Å²	125	88%	0.878	68%	0.681	S	S	*	*			trans	-87.1	61.8	174.8	-121.5	-91.3	0	0	0	111.4	P759	P759-Y761 PolarHBondContact O-N 3.26Å
762	T	26.6	Very low	33.1	Very low	108 Å²	108	122.9 Å²	122.9	66%	0.663	65%	0.651	S	S	*	*			trans	-102.4	11.4	-176	48.5	0	0	0	0	114.8	D760 T764	D760-T762 VanDerWaalsContact C-N 3.28Å; D760-T762 HydrophobicContact CB-CG2 4.37Å; D760-T762 PolarHBondContact O-N 3.49Å; D760-T762 VanDerWaalsContact O-N 3.12Å; T762-T764 PolarHBondContact O-N 2.93Å
763	L	31.9	Very low	33.5	Very low	152 Å²	152	121.2 Å²	121.2	80%	0.796	63%	0.632	S	S	*	*			trans	-76.4	49.7	175.4	-78.3	169.9	0	0	0	114.3
764	T	31.2	Very low	34.2	Very low	115 Å²	115	115.8 Å²	115.8	71%	0.706	60%	0.604	S	S	*	*			trans	-142.2	47.4	173.5	52.9	0	0	0	0	114.6	T762	T762-T764 PolarHBondContact O-N 2.93Å
765	L	29.1	Very low	34.7	Very low	175 Å²	175	110.1 Å²	110.1	92%	0.916	59%	0.589	S	S	*	*			trans	-140.9	26.1	170.4	-111.3	171.1	0	0	0	114.7
766	R	41.9	Very low	34.9	Very low	132 Å²	132	106 Å²	106	50%	0.498	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-84.1	132	165.3	-78.9	176.7	158.3	148.9	-0.1	109	E433	E433-R766 VanDerWaalsContact CD-NH2 3.3Å; E433-R766 IonicContact OE1-CZ 3.7Å; E433-R766 IonicContact OE1-NE 2.77Å; E433-R766 IonicContact OE1-NH2 3.03Å; E433-R766 PolarHBondContact OE1-NH2 2.8Å; E433-R766 IonicContact OE2-CZ 2.76Å; E433-R766 IonicContact OE2-NE 2.62Å; E433-R766 PolarHBondContact OE2-NE 3.07Å; E433-R766 VanDerWaalsContact OE2-NE 3.12Å; E433-R766 IonicContact OE2-NH2 2.87Å; E433-R766 PolarHBondContact OE2-NH2 2.92Å; E433-R766 VanDerWaalsContact OE2-NH2 3.12Å
767	R	40.6	Very low	35.2	Very low	131 Å²	131	107.3 Å²	107.3	49%	0.494	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-63.4	140.9	169	-70.3	-177.2	-175.4	154.5	1.2	110.2	D425 K437 D771	D425-R767 IonicContact OD2-NH1 3.54Å; K437-R767 PolarHBondContact NZ-O 2.87Å; K437-R767 VanDerWaalsContact NZ-O 3.1Å; R767-D771 HydrophobicContact CB-CB 4.17Å; R767-D771 HydrophobicContact CG-CB 4.48Å
768	S	42.8	Very low	35.5	Very low	21 Å²	21	109 Å²	109	15%	0.147	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-65.6	153.6	163.2	-170.9	0	0	0	0	109.8	D770 D771	S768-D770 PolarHBondContact O-N 3.35Å; S768-D770 VanDerWaalsContact O-N 3.12Å; S768-D770 PolarHBondContact OG-N 3.27Å; S768-D770 PolarHBondContact OG-OD2 3.33Å; S768-D771 WeakPolarHBondContact CB-OD2 3.13Å; S768-D771 PolarHBondContact N-OD2 2.69Å; S768-D771 PolarHBondContact O-N 2.97Å
769	P	45.8	Very low	35.9	Very low	19 Å²	19	104.9 Å²	104.9	12%	0.123	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-55.2	-18.2	161.7	-24.9	35.8	0	0	0	113.9	K437 A441	K437-P769 HydrophobicContact CB-CG 4.4Å; A441-P769 HydrophobicContact CB-CB 4.42Å
770	D	46.1	Very low	36.1	Very low	60 Å²	60	106.5 Å²	106.5	32%	0.321	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-25.7	172.3	-41.3	-57.2	0	0	0	113	Y472 R582 S768 I772	Y472-D770 WeakPolarHBondContact CE1-OD2 3.25Å; Y472-D770 VanDerWaalsContact OH-CG 3.27Å; Y472-D770 PolarHBondContact OH-OD2 3.09Å; R582-D770 WeakPolarHBondContact CD-OD1 3.22Å; R582-D770 WeakPolarHBondContact CG-OD1 3.4Å; R582-D770 IonicContact CZ-OD1 3.73Å; R582-D770 IonicContact NH1-OD1 2.81Å; R582-D770 PolarHBondContact NH1-OD1 2.79Å; S768-D770 PolarHBondContact O-N 3.35Å; S768-D770 VanDerWaalsContact O-N 3.12Å; S768-D770 PolarHBondContact OG-N 3.27Å; S768-D770 PolarHBondContact OG-OD2 3.33Å; D770-I772 VanDerWaalsContact C-N 3.34Å
771	D	43.1	Very low	36.4	Very low	103 Å²	103	105.2 Å²	105.2	55%	0.551	55%	0.553	S	S	*	*	S	Bend	trans	-91.7	8.4	-177.3	-57.9	-53.7	0	0	0	112.6	R767 S768 P773	R767-D771 HydrophobicContact CB-CB 4.17Å; R767-D771 HydrophobicContact CG-CB 4.48Å; S768-D771 WeakPolarHBondContact CB-OD2 3.13Å; S768-D771 PolarHBondContact N-OD2 2.69Å; S768-D771 PolarHBondContact O-N 2.97Å; D771-P773 VanDerWaalsContact O-CD 3.29Å; D771-P773 WeakPolarHBondContact O-CD 3.43Å
772	I	48.8	Very low	36.5	Very low	32 Å²	32	103 Å²	103	16%	0.164	55%	0.553	C	S	.	*			trans	-72.3	112.9	177.9	-69	175.8	0	0	0	108.7	D425 T438 D770 L774	D425-I772 HydrophobicContact CB-CG2 3.87Å; T438-I772 HydrophobicContact CG2-CD1 3.68Å; D770-I772 VanDerWaalsContact C-N 3.34Å; I772-L774 PolarHBondContact O-N 2.76Å
773	P	36.3	Very low	36.6	Very low	67 Å²	67	104.5 Å²	104.5	44%	0.435	56%	0.555	S	S	.	*			trans	-78.7	100.6	-171.9	31.9	-33.1	0	0	0	110.7	A427 D771	A427-P773 HydrophobicContact CB-CG 4.21Å; D771-P773 VanDerWaalsContact O-CD 3.29Å; D771-P773 WeakPolarHBondContact O-CD 3.43Å
774	L	41.7	Very low	36.5	Very low	67 Å²	67	102.1 Å²	102.1	35%	0.351	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-61.6	142.7	166.4	-68.9	172.3	0	0	0	110.2	T584 I772 T776	T584-L774 HydrophobicContact CG2-CD1 3.73Å; I772-L774 PolarHBondContact O-N 2.76Å; L774-T776 PolarHBondContact O-N 2.96Å
775	M	36.8	Very low	36.4	Very low	117 Å²	117	104.9 Å²	104.9	58%	0.576	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-53.7	133.8	177.4	-74.1	-74.1	-178.2	0	0	110.8	W426 T779	W426-M775 HydrophobicContact CB-CE 4.42Å; M775-T779 HydrophobicContact SD-CG2 3.81Å
776	T	30.3	Very low	36.7	Very low	93 Å²	93	101.3 Å²	101.3	57%	0.571	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-65.6	154.3	171.1	55.4	0	0	0	0	110.2	L774 N778 T779	L774-T776 PolarHBondContact O-N 2.96Å; T776-N778 PolarHBondContact O-N 3.48Å; T776-T779 PolarHBondContact O-N 2.84Å; T776-T779 PolarHBondContact O-OG1 3.19Å
777	P	33.5	Very low	36.3	Very low	113 Å²	113	103.3 Å²	103.3	73%	0.734	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-56.6	-17.4	-173.3	-29.2	36.5	0	0	0	115.8	T779	P777-T779 VanDerWaalsContact C-N 3.34Å; P777-T779 PolarHBondContact O-N 3.23Å
778	N	32.8	Very low	35.8	Very low	151 Å²	151	104.6 Å²	104.6	81%	0.807	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-82.1	-3.7	-175.6	-63.4	-11.1	0	0	0	114.3	T776	T776-N778 PolarHBondContact O-N 3.48Å
779	T	33.3	Very low	35.4	Very low	73 Å²	73	107 Å²	107	45%	0.448	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-96.3	7.5	-175.5	-31.9	0	0	0	0	114.1	M775 T776 P777 T781	M775-T779 HydrophobicContact SD-CG2 3.81Å; T776-T779 PolarHBondContact O-N 2.84Å; T776-T779 PolarHBondContact O-OG1 3.19Å; P777-T779 VanDerWaalsContact C-N 3.34Å; P777-T779 PolarHBondContact O-N 3.23Å; T779-T781 VanDerWaalsContact C-N 3.34Å; T779-T781 PolarHBondContact O-N 3.17Å
780	I	33.3	Very low	34.7	Very low	140 Å²	140	114.3 Å²	114.3	72%	0.718	65%	0.654	S	S	*	*			trans	-80.9	75.8	-179.8	-49.9	179.7	0	0	0	110.8
781	T	31.2	Very low	34.1	Very low	117 Å²	117	117 Å²	117	72%	0.718	68%	0.675	S	S	*	*			trans	-137.3	38.2	175.3	64.3	0	0	0	0	114.2	T779	T779-T781 VanDerWaalsContact C-N 3.34Å; T779-T781 PolarHBondContact O-N 3.17Å
782	M	28.8	Very low	33.4	Very low	178 Å²	178	119.6 Å²	119.6	88%	0.877	69%	0.689	S	S	*	*			trans	-139.9	80.5	169.8	-72.7	-64	-77.6	0	0	111
783	I	30.3	Very low	32.5	Very low	138 Å²	138	126.1 Å²	126.1	71%	0.708	72%	0.723	S	S	*	*			trans	-93.8	124.5	168.9	-60.6	176.3	0	0	0	108.5	N785	I783-N785 PolarHBondContact O-N 2.51Å
784	P	27.9	Very low	32.2	Very low	103 Å²	103	131.2 Å²	131.2	67%	0.669	74%	0.74	S	S	*	*			trans	-66.2	125.1	168.7	-19.7	33	0	0	0	111	S786	P784-S786 VanDerWaalsContact C-N 3.3Å; P784-S786 PolarHBondContact O-N 2.86Å
785	N	30.8	Very low	31.8	Very low	173 Å²	173	133.8 Å²	133.8	93%	0.925	76%	0.761	S	S	*	*	S	Bend	trans	-73.3	76.7	179.3	-80.9	-30.9	0	0	0	112	I783	I783-N785 PolarHBondContact O-N 2.51Å
786	S	35.2	Very low	31.4	Very low	99 Å²	99	139.3 Å²	139.3	69%	0.692	78%	0.777	S	S	*	*			trans	-144.7	22.1	177.4	65.6	0	0	0	0	115.6	P784	P784-S786 VanDerWaalsContact C-N 3.3Å; P784-S786 PolarHBondContact O-N 2.86Å
787	L	32.5	Very low	31.2	Very low	175 Å²	175	141.7 Å²	141.7	92%	0.916	79%	0.787	S	S	*	*			trans	-134.7	112	167	-84.8	170.7	0	0	0	110
788	V	30.4	Very low	30.9	Very low	157 Å²	157	143 Å²	143	95%	0.952	79%	0.793	S	S	*	*			trans	-115.9	117.1	177.7	177.2	0	0	0	0	108.8
789	G	34.4	Very low	30.6	Very low	73 Å²	73	145.3 Å²	145.3	75%	0.753	80%	0.796	S	S	*	*			trans	133.8	55.4	163.6	0	0	0	0	0	118.3
790	M	31.2	Very low	30.3	Very low	171 Å²	171	148.1 Å²	148.1	84%	0.842	81%	0.813	S	S	*	*			trans	-137.2	149.1	152.5	-76.1	-159.6	-177.8	0	0	110.4
791	P	32.9	Very low	30	Very low	117 Å²	117	148.2 Å²	148.2	76%	0.76	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-78.3	150.9	179.5	32.4	-35	0	0	0	112.2	L793	P791-L793 PolarHBondContact O-N 3.42Å
792	N	28.5	Very low	29.7	Very low	158 Å²	158	146.3 Å²	146.3	85%	0.845	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-63.7	124.8	176.7	-67.1	-18.3	0	0	0	111.4
793	L	29.8	Very low	29.6	Very low	169 Å²	169	147.7 Å²	147.7	89%	0.885	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-92	138.5	162.5	-75.8	166.6	0	0	0	109.6	P791	P791-L793 PolarHBondContact O-N 3.42Å
794	H	31.5	Very low	29.4	Very low	173 Å²	173	149.1 Å²	149.1	80%	0.801	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-74	150.3	-179.7	-76.4	-91.5	0	0	0	111.8
795	P	32.4	Very low	29.5	Very low	121 Å²	121	149.4 Å²	149.4	79%	0.786	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-65.1	149.5	173.7	28.6	-35.1	0	0	0	111.7
796	Y	29.3	Very low	29.4	Very low	233 Å²	233	148.3 Å²	148.3	91%	0.914	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-64.9	139.5	-177.2	-86.6	-101.9	0	0	0	113.1
797	N	25.4	Very low	29	Very low	144 Å²	144	147.2 Å²	147.2	77%	0.77	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-71.3	135.8	163.3	-80.6	-32.3	0	0	0	110.3
798	T	28	Very low	29	Very low	140 Å²	140	146.7 Å²	146.7	86%	0.859	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-72.7	129.5	165.5	37.8	0	0	0	0	110.4
799	F	26.4	Very low	29.2	Very low	200 Å²	200	145 Å²	145	88%	0.877	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-98.2	142.1	167.4	-95.4	-80.9	0	0	0	111.1
800	T	26.1	Very low	28.9	Very low	132 Å²	132	149.9 Å²	149.9	81%	0.81	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-83.9	149.2	-169.3	49.2	0	0	0	0	113.1
801	T	27.8	Very low	29	Very low	142 Å²	142	146.3 Å²	146.3	87%	0.871	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-60.5	139.7	169.7	39.7	0	0	0	0	112.1
802	G	25.1	Very low	28.7	Very low	76 Å²	76	149.7 Å²	149.7	78%	0.784	83%	0.832	S	S	*	*			trans	-151.3	92.3	177.5	0	0	0	0	0	111.2
803	F	26.6	Very low	28.8	Very low	207 Å²	207	146.7 Å²	146.7	91%	0.908	82%	0.824	S	S	*	*			trans	-71	135.7	169.6	-86.3	-91.2	0	0	0	110.3
804	N	25	Very low	29	Very low	169 Å²	169	144.4 Å²	144.4	90%	0.904	82%	0.817	S	S	*	*			trans	-153	134.1	153.1	-127.8	-17.3	0	0	0	110.7
805	S	30	Very low	29.2	Very low	108 Å²	108	142 Å²	142	76%	0.755	81%	0.814	S	S	*	*			trans	-117.4	105.3	-166.4	46.9	0	0	0	0	113.2
806	T	29.9	Very low	29.3	Very low	151 Å²	151	147.5 Å²	147.5	93%	0.926	82%	0.819	S	S	*	*			trans	-165.4	124	156.2	39.7	0	0	0	0	109.7
807	G	26.6	Very low	29.6	Very low	76 Å²	76	146.1 Å²	146.1	78%	0.784	84%	0.835	S	S	*	*			trans	163.6	63.6	175.5	0	0	0	0	0	116.6
808	L	31.4	Very low	29.8	Very low	164 Å²	164	146.3 Å²	146.3	86%	0.859	84%	0.838	S	S	*	*			trans	-75.4	143.9	158.2	-80.9	166.7	0	0	0	109.7
809	P	34.7	Very low	29.9	Very low	120 Å²	120	146.6 Å²	146.6	78%	0.779	84%	0.837	S	S	*	*				-125.9	169.2	129.9	35.8	-28.9	0	0	0	112.7
810	H	28	Very low	30.1	Very low	176 Å²	176	143.6 Å²	143.6	82%	0.815	84%	0.835	S	S	*	*			trans	-91.6	165.5	-169.3	-79.8	-81.3	0	0	0	115.1
811	S	32.8	Very low	30.3	Very low	97 Å²	97	144.3 Å²	144.3	68%	0.678	84%	0.837	S	S	*	*			trans	-53	132.4	168.3	53.8	0	0	0	0	116
812	H	28.5	Very low	30.5	Very low	188 Å²	188	144.4 Å²	144.4	87%	0.87	83%	0.834	S	S	*	*			trans	-160.3	132.2	136.5	-80.7	-68	0	0	0	105.9
813	S	29.7	Very low	30.8	Very low	95 Å²	95	149 Å²	149	66%	0.664	84%	0.838	S	S	*	*			cis	105.3	138.6	34.8	-169.6	0	0	0	0	112.2
814	T	32.8	Very low	31.1	Very low	120 Å²	120	144.9 Å²	144.9	74%	0.736	83%	0.833	S	S	*	*			trans	77.8	106.1	172.3	61.3	0	0	0	0	121.1
815	T	35.9	Very low	31.6	Very low	123 Å²	123	143 Å²	143	76%	0.755	83%	0.827	S	S	*	*			trans	53.3	128.8	133.9	60.7	0	0	0	0	122
816	R	35.3	Very low	31.7	Very low	236 Å²	236	145.9 Å²	145.9	89%	0.891	83%	0.833	S	S	*	*				162.2	147.7	125.9	-94.1	172.8	179.5	-165.8	-1.2	111.8
817	V	35.3	Very low	31.9	Very low	205 Å²	205	145.5 Å²	145.5	100%	1.242	83%	0.825	S	S	*	*			cis	-123.6	0	-13.8	153.8	0	0	0	0	107.1

Retrieved 817 of 817 residues in 1654.9 ms (Link to these results)

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