A0A087X889_POEFO Loading...

Semaphorin 6Cb

AlphaFold DB , UniProt , Accession A0A087X889, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,088 aa.

						>A0A087X889_POEFO|A0A087X889
MRLTSGSPRPILPAFLAFTVAAFLPQLSSGAAPFPQDLEPISVVGRETSYLYPGFQGLMSDNDTIRLGLDFQRMLRINHMLYIAARDHVFAINLGTSSEQIIPQQKLTWKTKDVAKCTVRGKNSDECYNYIKVLVPRNDETLFACGTNAFNPTCRNYKMSTLEQEGEEVVGQARCPFESRQSNVGLFAGGDFYSATMTDFLASDAVIYRSLGESSPVLRTVKYDSKWLRALEPHFLHAIEYGNYVYFFFSEIAVEYTTLGKVVFSRVARVCKNDNGGSPRVLERYWTSFLKARLNCSVPGDSFFYFDVLQSLTNVLQINHRPAVLGVFTTQANSITGSAVCGFYMDDIEKAFNGKFKEQRNSESAWTPVLEEQVPKPRPGSCAGEGSAATYKSSTTFPDETLTFIKSYPLMDESVPSVNDRPFFTRTTSRFKLTQIAVDTSAGPYKNYTVVFLGSDNGHVLKILASSEGANASFNSQLLEDIDVYNPNKCNVRGEDRRVLGLELDRDHHALFVAFSSCVIRVPLSRCHDYTNCKKSCLSSRDPYCIWLKSDSCVTVSPGFKGGFEQDVENGYHQHPDTCHDVLATTRRHNPALDSAFGKTTPTSASTTHHGAAFPKEAGDSERGTGPDRLPPVGEQGSPDSEPISVEMEGVRRPPELDRTNHSVHYTLLIACVLVAFVLGAFVSGFLVSCYCNHTSHKSKKLSKDPEAPIPHALSLRSLAKLNGLLDSQSKEDKLEVSSPKIYNSLFTNGKEHHPGRRFVHHGMTMGDLVHPHHHHLHPSSELSGLPTPDSTPELPIKSMKAFKNQWEKNQNCNNAKEPKSHNISSRPSSALLPQQVFPYSHGLSNGHPVVGHLHPEERKIHNVERVLAQPYPSYPQKVMEVTSLDELLKHIHDPNGSKTSQLMSPSGLMASGGGGQLVFANRIQPQIPETESAPYYSSSTLPRDSLTRRMDVPPDIPSHHQSTLERRHSSQRHSLISAATKMPSAGAVGGGGMIPRQHSFSQRSGGPHQPPPLLARMNSTGSACEVHYPLIPNGYLARQHSYTGEQHDIQHRGAIVRRSTSLKPDVPPKPLFIPATSPVNEQGKYNY
					

Structure Viewer

Loading PAE data...

(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	44.7	Very low	41.8	Very low	236 Å²	236	146.9 Å²	146.9	100%	1.163	81%	0.806	S	S	*	*				0	136.5	0	-158.1	-175.3	-157.2	0	0	106.9
2	R	36.2	Very low	42.4	Very low	230 Å²	230	145.4 Å²	145.4	87%	0.868	80%	0.795	S	S	*	*			trans	68.2	149.9	-171.8	-53.2	-172.5	171	-174.7	-3.3	114.4
3	L	35	Very low	43.1	Very low	145 Å²	145	140.5 Å²	140.5	76%	0.759	78%	0.775	S	S	*	*			cis	-151.4	175.6	-19.8	-138.5	78.1	0	0	0	110.4
4	T	38.6	Very low	43.7	Very low	117 Å²	117	134.9 Å²	134.9	72%	0.718	76%	0.756	S	S	*	*			trans	-36.1	160.5	166.3	48	0	0	0	0	118.2
5	S	39.3	Very low	44.4	Very low	119 Å²	119	135.4 Å²	135.4	83%	0.832	75%	0.748	S	S	*	*			cis	-178.8	155	-3.9	46.6	0	0	0	0	112.1
6	G	33.5	Very low	44.9	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	73%	0.733	S	S	*	*			trans	133.7	87.4	144.4	0	0	0	0	0	122.1
7	S	37.4	Very low	45.5	Very low	122 Å²	122	128.8 Å²	128.8	85%	0.853	72%	0.719	S	S	*	*			trans	62.2	168.3	154.1	79.7	0	0	0	0	120.2
8	P	44.7	Very low	46	Very low	119 Å²	119	130.7 Å²	130.7	77%	0.773	72%	0.719	S	S	*	*			cis	-111.7	179.3	-22.2	39.5	-28.7	0	0	0	112.5
9	R	49.6	Very low	46.5	Very low	228 Å²	228	126.8 Å²	126.8	86%	0.86	70%	0.7	S	S	*	*			trans	-94	136.4	172.6	-76.9	-178.5	173.2	172.3	-3	111.8	I11	R9-I11 PolarHBondContact O-N 3.14Å; R9-I11 VanDerWaalsContact O-N 3.14Å
10	P	48.8	Very low	46.8	Very low	112 Å²	112	124.6 Å²	124.6	73%	0.727	69%	0.689	S	S	*	*			trans	-80.3	94	176.3	32.2	-33.7	0	0	0	111.5	L12 P13	P10-L12 VanDerWaalsContact C-N 3.28Å; P10-P13 WeakPolarHBondContact O-CD 3.47Å
11	I	52.2	Low	47.1	Very low	120 Å²	120	121.4 Å²	121.4	62%	0.615	68%	0.68	S	S	*	*			trans	-78.3	-17.8	170.5	-67.2	173.8	0	0	0	111.4	R9 F15	R9-I11 PolarHBondContact O-N 3.14Å; R9-I11 VanDerWaalsContact O-N 3.14Å; I11-F15 HydrophobicContact CG2-CD2 3.68Å; I11-F15 HydrophobicContact CG2-CE2 3.85Å
12	L	48.8	Very low	47.5	Very low	129 Å²	129	113.3 Å²	113.3	68%	0.675	65%	0.65	S	S	*	*	H	α-helix	trans	-56.3	-45.8	-173.4	-136.4	73	0	0	0	116.9	P10 A14 F15 L16	P10-L12 VanDerWaalsContact C-N 3.28Å; L12-A14 PolarHBondContact O-N 2.99Å; L12-F15 PolarHBondContact O-N 3.42Å; L12-L16 HydrophobicContact CG-CD1 4.45Å; L12-L16 PolarHBondContact O-N 3.04Å
13	P	51.1	Low	48	Very low	82 Å²	82	107.8 Å²	107.8	53%	0.532	63%	0.633	S	S	.	*	H	α-helix	trans	-71.4	-30.4	-171	27.4	-34.1	0	0	0	113.1	P10 A17	P10-P13 WeakPolarHBondContact O-CD 3.47Å; P13-A17 WeakPolarHBondContact O-CB 3.41Å; P13-A17 PolarHBondContact O-N 2.97Å
14	A	52.4	Low	48.3	Very low	62 Å²	62	106.4 Å²	106.4	51%	0.512	63%	0.625	S	S	.	*	H	α-helix	trans	-70.1	-41.6	176.4	0	0	0	0	0	111.6	L12 A17 F18	L12-A14 PolarHBondContact O-N 2.99Å; A14-A17 PolarHBondContact O-N 2.83Å; A14-F18 PolarHBondContact O-N 2.95Å
15	F	54.3	Low	48.6	Very low	142 Å²	142	105 Å²	105	62%	0.623	62%	0.618	S	S	*	*	H	α-helix	trans	-65.6	-41.8	173.5	-92.3	-89.3	0	0	0	112	I11 L12 A17 F18 T19	I11-F15 HydrophobicContact CG2-CD2 3.68Å; I11-F15 HydrophobicContact CG2-CE2 3.85Å; L12-F15 PolarHBondContact O-N 3.42Å; F15-A17 PolarHBondContact O-N 3.14Å; F15-F18 PolarHBondContact O-N 2.91Å; F15-T19 WeakPolarHBondContact O-CG2 3.42Å; F15-T19 PolarHBondContact O-N 3.39Å; F15-T19 PolarHBondContact O-OG1 3.28Å; F15-T19 VanDerWaalsContact O-OG1 3.14Å
16	L	52.6	Low	48.7	Very low	98 Å²	98	106 Å²	106	51%	0.513	61%	0.61	S	S	.	*	H	α-helix	trans	-60.5	-44.1	175.2	-99.2	157.8	0	0	0	112.3	L12 T19 V20	L12-L16 HydrophobicContact CG-CD1 4.45Å; L12-L16 PolarHBondContact O-N 3.04Å; L16-T19 WeakPolarHBondContact CA-OG1 3.49Å; L16-T19 PolarHBondContact O-N 3.48Å; L16-T19 PolarHBondContact O-OG1 3.5Å; L16-V20 WeakPolarHBondContact O-CB 3.32Å; L16-V20 WeakPolarHBondContact O-CG2 3.34Å; L16-V20 PolarHBondContact O-N 3.46Å
17	A	53.9	Low	48.9	Very low	61 Å²	61	109.7 Å²	109.7	50%	0.504	61%	0.613	S	S	.	*	H	α-helix	trans	-60.6	-44.8	174.9	0	0	0	0	0	112.2	P13 A14 F15 V20 A21	P13-A17 WeakPolarHBondContact O-CB 3.41Å; P13-A17 PolarHBondContact O-N 2.97Å; A14-A17 PolarHBondContact O-N 2.83Å; F15-A17 PolarHBondContact O-N 3.14Å; A17-V20 PolarHBondContact O-N 2.92Å; A17-A21 WeakPolarHBondContact O-CB 3.49Å; A17-A21 PolarHBondContact O-N 2.94Å
18	F	54.8	Low	49.2	Very low	163 Å²	163	108 Å²	108	72%	0.715	60%	0.601	S	S	*	*	H	α-helix	trans	-67.3	-37.7	176.4	-98.1	-84.5	0	0	0	113.2	A14 F15 A21 A22	A14-F18 PolarHBondContact O-N 2.95Å; F15-F18 PolarHBondContact O-N 2.91Å; F18-A21 PolarHBondContact O-N 3.36Å; F18-A22 VanDerWaalsContact O-CB 3.27Å; F18-A22 WeakPolarHBondContact O-CB 3.13Å; F18-A22 PolarHBondContact O-N 3.46Å
19	T	55.1	Low	49.2	Very low	57 Å²	57	108 Å²	108	35%	0.35	60%	0.603	S	S	.	*	H	α-helix	trans	-67.2	-42.7	174.3	52.1	0	0	0	0	111.8	F15 L16 A21 A22 F23	F15-T19 WeakPolarHBondContact O-CG2 3.42Å; F15-T19 PolarHBondContact O-N 3.39Å; F15-T19 PolarHBondContact O-OG1 3.28Å; F15-T19 VanDerWaalsContact O-OG1 3.14Å; L16-T19 WeakPolarHBondContact CA-OG1 3.49Å; L16-T19 PolarHBondContact O-N 3.48Å; L16-T19 PolarHBondContact O-OG1 3.5Å; T19-A21 VanDerWaalsContact C-N 3.33Å; T19-A21 PolarHBondContact O-N 2.84Å; T19-A22 CarbonylContact O-C 3.59Å; T19-A22 PolarHBondContact O-N 3.46Å; T19-A22 VanDerWaalsContact O-N 3.15Å; T19-F23 WeakPolarHBondContact O-CB 3.44Å; T19-F23 WeakPolarHBondContact O-CD2 3.27Å; T19-F23 PolarHBondContact O-N 3.15Å
20	V	54.1	Low	48.9	Very low	81 Å²	81	100.1 Å²	100.1	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-65	-39.6	177.4	171.8	0	0	0	0	110.7	L16 A17 A22 F23 L24	L16-V20 WeakPolarHBondContact O-CB 3.32Å; L16-V20 WeakPolarHBondContact O-CG2 3.34Å; L16-V20 PolarHBondContact O-N 3.46Å; A17-V20 PolarHBondContact O-N 2.92Å; V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.93Å; V20-F23 PolarHBondContact O-N 3.4Å; V20-L24 HydrophobicContact CG1-CD1 4.14Å; V20-L24 HydrophobicContact CG1-CG 4.46Å; V20-L24 WeakPolarHBondContact O-CB 3.41Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.3Å; V20-L24 PolarHBondContact O-N 3.47Å
21	A	52.4	Low	49	Very low	59 Å²	59	97.5 Å²	97.5	49%	0.488	58%	0.581	S	S	.	*	H	α-helix	trans	-64.9	-33.3	172.9	0	0	0	0	0	113.4	A17 F18 T19 P25	A17-A21 WeakPolarHBondContact O-CB 3.49Å; A17-A21 PolarHBondContact O-N 2.94Å; F18-A21 PolarHBondContact O-N 3.36Å; T19-A21 VanDerWaalsContact C-N 3.33Å; T19-A21 PolarHBondContact O-N 2.84Å; A21-P25 VanDerWaalsContact O-CD 3.29Å; A21-P25 WeakPolarHBondContact O-CD 3.29Å
22	A	53.6	Low	49.4	Very low	65 Å²	65	95.7 Å²	95.7	54%	0.537	58%	0.584	S	S	.	*	H	α-helix	trans	-80.1	-25.2	176.7	0	0	0	0	0	114	F18 T19 V20	F18-A22 VanDerWaalsContact O-CB 3.27Å; F18-A22 WeakPolarHBondContact O-CB 3.13Å; F18-A22 PolarHBondContact O-N 3.46Å; T19-A22 CarbonylContact O-C 3.59Å; T19-A22 PolarHBondContact O-N 3.46Å; T19-A22 VanDerWaalsContact O-N 3.15Å; V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.93Å
23	F	45.1	Very low	50.7	Low	115 Å²	115	95.3 Å²	95.3	50%	0.504	59%	0.589	S	S	.	*	H	α-helix	trans	-91.9	-19	176.1	-76	-62.3	0	0	0	113.9	T19 V20 Q26 L27	T19-F23 WeakPolarHBondContact O-CB 3.44Å; T19-F23 WeakPolarHBondContact O-CD2 3.27Å; T19-F23 PolarHBondContact O-N 3.15Å; V20-F23 PolarHBondContact O-N 3.4Å; F23-Q26 VanDerWaalsContact CD1-OE1 3.29Å; F23-Q26 WeakPolarHBondContact O-CA 3.5Å; F23-Q26 WeakPolarHBondContact O-CB 3.47Å; F23-Q26 PolarHBondContact O-N 3.34Å; F23-L27 WeakPolarHBondContact O-CD1 3.46Å; F23-L27 PolarHBondContact O-N 2.91Å
24	L	42.5	Very low	52.3	Low	115 Å²	115	95.1 Å²	95.1	60%	0.602	58%	0.58	S	S	*	*	H	α-helix	trans	-54.5	-41.2	174	-92.2	162.8	0	0	0	114	V20 Q26 L27	V20-L24 HydrophobicContact CG1-CD1 4.14Å; V20-L24 HydrophobicContact CG1-CG 4.46Å; V20-L24 WeakPolarHBondContact O-CB 3.41Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.3Å; V20-L24 PolarHBondContact O-N 3.47Å; L24-Q26 PolarHBondContact O-N 3.34Å; L24-L27 PolarHBondContact O-N 3.22Å
25	P	44.1	Very low	53.9	Low	87 Å²	87	94.6 Å²	94.6	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-64.9	-14.6	172.1	-22.2	33.7	0	0	0	115	A21 S28	A21-P25 VanDerWaalsContact O-CD 3.29Å; A21-P25 WeakPolarHBondContact O-CD 3.29Å; P25-S28 PolarHBondContact O-OG 3.01Å; P25-S28 VanDerWaalsContact O-OG 3.1Å
26	Q	41.8	Very low	55.5	Low	142 Å²	142	96.2 Å²	96.2	66%	0.664	58%	0.581	S	S	*	*	H	α-helix	trans	-97.8	-9.8	-179.8	-65.4	-168.7	-27.2	0	0	113.6	F23 L24	F23-Q26 VanDerWaalsContact CD1-OE1 3.29Å; F23-Q26 WeakPolarHBondContact O-CA 3.5Å; F23-Q26 WeakPolarHBondContact O-CB 3.47Å; F23-Q26 PolarHBondContact O-N 3.34Å; L24-Q26 PolarHBondContact O-N 3.34Å
27	L	38.7	Very low	57.4	Low	145 Å²	145	92.2 Å²	92.2	76%	0.759	56%	0.56	S	S	*	*	H	α-helix	trans	-97.3	-8	169	-81.3	90.6	0	0	0	113.4	F23 L24 S29	F23-L27 WeakPolarHBondContact O-CD1 3.46Å; F23-L27 PolarHBondContact O-N 2.91Å; L24-L27 PolarHBondContact O-N 3.22Å; L27-S29 PolarHBondContact O-N 3.1Å
28	S	43.4	Very low	59.2	Low	87 Å²	87	92.1 Å²	92.1	61%	0.608	55%	0.551	S	S	*	*			trans	-77.9	53.4	167.3	55.9	0	0	0	0	112.4	P25 G30	P25-S28 PolarHBondContact O-OG 3.01Å; P25-S28 VanDerWaalsContact O-OG 3.1Å; S28-G30 PolarHBondContact O-N 3.15Å
29	S	43.8	Very low	61.1	Low	118 Å²	118	91.4 Å²	91.4	83%	0.825	55%	0.549	S	S	*	.			trans	-75.1	54.7	161.2	-177.4	0	0	0	0	109.8	L27	L27-S29 PolarHBondContact O-N 3.1Å
30	G	43.8	Very low	62.9	Low	62 Å²	62	90 Å²	90	64%	0.639	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-64.6	141.6	169.8	0	0	0	0	0	109.3	S28 A32	S28-G30 PolarHBondContact O-N 3.15Å; G30-A32 PolarHBondContact O-N 2.94Å
31	A	50	Low	64.9	Low	57 Å²	57	89.3 Å²	89.3	47%	0.471	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-49.8	124.5	179.1	0	0	0	0	0	110.3
32	A	61.3	Low	66.8	Low	83 Å²	83	88.3 Å²	88.3	69%	0.686	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-58.7	125.2	175.4	0	0	0	0	0	108.1	G30	G30-A32 PolarHBondContact O-N 2.94Å
33	P	76.9	Confident	68.8	Low	120 Å²	120	90 Å²	90	78%	0.779	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-61.2	151.4	-179.8	26.4	-34.3	0	0	0	109.7
34	F	84.4	Confident	71.1	Confident	79 Å²	79	85 Å²	85	35%	0.346	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-54.4	134.1	177.9	-169	-82.9	0	0	0	110	Q36 V298 F304 F306 T427	F34-Q36 PolarHBondContact O-N 2.95Å; F34-V298 HydrophobicContact CD2-CG1 4.33Å; F34-V298 HydrophobicContact CE2-CB 4.02Å; F34-V298 HydrophobicContact CE2-CG1 4.2Å; F34-V298 HydrophobicContact CE2-CG2 3.94Å; F34-V298 HydrophobicContact CZ-CG2 4.02Å; F34-F304 HydrophobicContact CE2-CB 4.03Å; F34-F304 AromaticContact CE2-CD1 3.79Å; F34-F304 HydrophobicContact CE2-CD1 3.79Å; F34-F304 HydrophobicContact CE2-CD2 4.46Å; F34-F304 HydrophobicContact CE2-CE1 4.38Å; F34-F304 AromaticContact CE2-CG 3.83Å; F34-F304 HydrophobicContact CE2-CG 3.83Å; F34-F304 HydrophobicContact CZ-CD1 4.22Å; F34-F304 HydrophobicContact CZ-CE1 4.49Å; F34-F306 HydrophobicContact CZ-CE2 4.38Å; F34-F306 HydrophobicContact CZ-CZ 4.06Å; F34-T427 HydrophobicContact CE1-CG2 3.59Å; F34-T427 HydrophobicContact CZ-CG2 3.93Å
35	P	85.3	Confident	73.4	Confident	50 Å²	50	81.3 Å²	81.3	33%	0.325	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-52.3	126.2	-175.7	-29	35.4	0	0	0	112.8	V298	P35-V298 HydrophobicContact CG-CG1 4.15Å; P35-V298 HydrophobicContact CG-CG2 4.42Å
36	Q	88.9	Confident	75.5	Confident	176 Å²	176	82.5 Å²	82.5	82%	0.822	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-69.3	141.9	174.7	-67.5	-178.9	-13.9	0	0	110.1	F34 L38	F34-Q36 PolarHBondContact O-N 2.95Å; Q36-L38 PolarHBondContact O-N 3.45Å
37	D	91.3	Very high	77.7	Confident	15 Å²	15	83.8 Å²	83.8	8%	0.08	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-59.1	132.9	172.9	-75.8	29.7	0	0	0	109.9	R426 T427 T428	D37-R426 VanDerWaalsContact OD2-CA 3.32Å; D37-R426 WeakPolarHBondContact OD2-CA 3.31Å; D37-R426 WeakPolarHBondContact OD2-CD 3.24Å; D37-R426 WeakPolarHBondContact OD2-CG 3.23Å; D37-R426 IonicContact OD2-NE 2.64Å; D37-T427 PolarHBondContact OD1-N 2.92Å; D37-T427 PolarHBondContact OD1-OG1 3.08Å; D37-T427 PolarHBondContact OD2-N 2.87Å; D37-T428 HydrophobicContact CB-CG2 4.33Å; D37-T428 PolarHBondContact OD1-N 3.29Å; D37-T428 PolarHBondContact OD2-N 2.95Å; D37-T428 PolarHBondContact OD2-OG1 2.74Å; D37-T428 VanDerWaalsContact OD2-OG1 3.07Å
38	L	91.9	Very high	80.1	Confident	58 Å²	58	79.7 Å²	79.7	30%	0.304	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-71.9	136.9	177.5	-61	-179.3	0	0	0	111.5	Q36 F424 R426 S476 L478	Q36-L38 PolarHBondContact O-N 3.45Å; L38-F424 HydrophobicContact CB-CE2 4.37Å; L38-F424 HydrophobicContact CD1-CD2 4.1Å; L38-F424 HydrophobicContact CD1-CE2 4.09Å; L38-F424 HydrophobicContact CG-CE2 4.45Å; L38-R426 PolarHBondContact O-NH1 2.85Å; L38-S476 WeakPolarHBondContact CD1-O 3.45Å; L38-L478 HydrophobicContact CB-CB 4.01Å; L38-L478 VanDerWaalsContact O-CD2 3.3Å; L38-L478 WeakPolarHBondContact O-CD2 3.38Å
39	E	93.8	Very high	82.4	Confident	148 Å²	148	75.6 Å²	75.6	69%	0.692	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-82.5	145.2	169.6	-68.6	-56.6	143.2	0	0	111.4
40	P	94.9	Very high	84.7	Confident	27 Å²	27	72.4 Å²	72.4	18%	0.175	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-77.9	146	-179.7	31.7	-33.9	0	0	0	112.2	S42 V43 L478 D481	P40-S42 VanDerWaalsContact C-N 3.32Å; P40-V43 HydrophobicContact CB-CG2 4.37Å; P40-V43 HydrophobicContact CG-CG2 3.6Å; P40-L478 WeakPolarHBondContact CA-O 3.48Å; P40-L478 HydrophobicContact CB-CD2 3.82Å; P40-L478 HydrophobicContact CB-CG 3.86Å; P40-L478 HydrophobicContact CG-CD2 4.37Å; P40-D481 HydrophobicContact CB-CB 4.19Å; P40-D481 HydrophobicContact CG-CB 4.22Å
41	I	94.2	Very high	87	Confident	68 Å²	68	76.2 Å²	76.2	35%	0.349	42%	0.423	S	S	.	.	S	Bend	trans	-67.5	-35.8	170.5	-55.5	175.2	0	0	0	110.9	Q477 L478 L479 S539 R541	I41-Q477 HydrophobicContact CD1-CG 4.21Å; I41-L478 PolarHBondContact N-O 3.01Å; I41-L478 VanDerWaalsContact N-O 3.15Å; I41-L479 WeakPolarHBondContact CB-O 3.31Å; I41-L479 HydrophobicContact CD1-CD2 3.79Å; I41-L479 PolarHBondContact N-O 2.92Å; I41-S539 WeakPolarHBondContact CG2-O 3.44Å; I41-R541 HydrophobicContact CD1-CB 4.05Å; I41-R541 HydrophobicContact CD1-CG 4.48Å
42	S	93.8	Very high	89.1	Confident	38 Å²	38	74.4 Å²	74.4	27%	0.266	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.1	-179.6	-173	0	0	0	0	112.1	P40 L479 E480 D481	P40-S42 VanDerWaalsContact C-N 3.32Å; S42-L479 PolarHBondContact N-O 3.42Å; S42-E480 VanDerWaalsContact O-CA 3.29Å; S42-E480 WeakPolarHBondContact O-CA 3.4Å; S42-D481 PolarHBondContact O-N 3.07Å; S42-D481 VanDerWaalsContact O-N 3.09Å
43	V	95.2	Very high	90.7	Very high	100 Å²	100	71.6 Å²	71.6	61%	0.606	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	119	176.4	-177.8	0	0	0	0	109.5	P40 D481	P40-V43 HydrophobicContact CB-CG2 4.37Å; P40-V43 HydrophobicContact CG-CG2 3.6Å; V43-D481 CarbonylContact C-O 3.55Å; V43-D481 WeakPolarHBondContact CA-O 3.28Å
44	V	94.3	Very high	91.5	Very high	10 Å²	10	66.9 Å²	66.9	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	103.2	-178.3	-177.5	0	0	0	0	109.5	T48 D481 I482 D483	V44-T48 HydrophobicContact CG1-CG2 4.25Å; V44-D481 PolarHBondContact N-O 3.47Å; V44-I482 HydrophobicContact CB-CB 4.21Å; V44-I482 HydrophobicContact CB-CG1 4.03Å; V44-I482 HydrophobicContact CB-CG2 3.94Å; V44-I482 HydrophobicContact CG1-CG2 4.07Å; V44-I482 HydrophobicContact CG2-CG1 3.99Å; V44-D483 PolarHBondContact O-N 3.47Å
45	G	89.6	Confident	92.1	Very high	38 Å²	38	63.7 Å²	63.7	39%	0.392	34%	0.338	S	S	.	.			trans	-76.5	170.8	178.8	0	0	0	0	0	114.8	E47 T48 S49	G45-E47 VanDerWaalsContact C-N 3.32Å; G45-E47 PolarHBondContact O-N 3.25Å; G45-T48 PolarHBondContact O-N 3.37Å; G45-S49 PolarHBondContact O-N 3.19Å
46	R	89.1	Confident	92.5	Very high	111 Å²	111	64 Å²	64	42%	0.419	34%	0.335	S	S	.	.	H	α-helix	trans	-57.9	-36.8	-174	-67.3	170.9	175.1	-158.6	-11.2	114.4	T48 S49 Y50 D483	R46-T48 PolarHBondContact O-N 3.47Å; R46-S49 WeakPolarHBondContact CA-OG 3.36Å; R46-S49 PolarHBondContact O-N 3.47Å; R46-Y50 HydrophobicContact CB-CD1 4.05Å; R46-Y50 HydrophobicContact CB-CE1 3.69Å; R46-Y50 HydrophobicContact CB-CE2 4.25Å; R46-Y50 HydrophobicContact CB-CG 4.47Å; R46-Y50 WeakPolarHBondContact CD-OH 3.4Å; R46-Y50 HydrophobicContact CG-CD1 4.43Å; R46-Y50 HydrophobicContact CG-CE1 3.66Å; R46-Y50 VanDerWaalsContact O-CB 3.23Å; R46-Y50 WeakPolarHBondContact O-CB 3.42Å; R46-Y50 WeakPolarHBondContact O-CD1 3.22Å; R46-Y50 VanDerWaalsContact O-CG 3.25Å; R46-Y50 PolarHBondContact O-N 2.9Å; R46-D483 IonicContact CZ-OD2 2.81Å; R46-D483 VanDerWaalsContact CZ-OD2 3.3Å; R46-D483 IonicContact NE-OD2 3.9Å; R46-D483 PolarHBondContact NE-OD2 2.79Å; R46-D483 IonicContact NH2-OD2 2.93Å; R46-D483 PolarHBondContact NH2-OD2 2.82Å
47	E	88	Confident	92.6	Very high	170 Å²	170	56.2 Å²	56.2	79%	0.794	30%	0.301	S	S	*	.	H	α-helix	trans	-55.9	-38.4	179	-58.5	-56.1	140.2	0	0	112.1	G45	G45-E47 VanDerWaalsContact C-N 3.32Å; G45-E47 PolarHBondContact O-N 3.25Å
48	T	88.9	Confident	92.6	Very high	58 Å²	58	57.5 Å²	57.5	36%	0.356	31%	0.308	S	S	.	.	H	α-helix	trans	-84.5	-46.4	177.4	-51	0	0	0	0	111.3	V44 G45 R46 Y50 L51 Y52	V44-T48 HydrophobicContact CG1-CG2 4.25Å; G45-T48 PolarHBondContact O-N 3.37Å; R46-T48 PolarHBondContact O-N 3.47Å; T48-Y50 PolarHBondContact O-N 2.94Å; T48-L51 WeakPolarHBondContact O-CB 3.28Å; T48-L51 PolarHBondContact O-N 2.87Å; T48-Y52 HydrophobicContact CG2-CE1 4.36Å
49	S	90.8	Very high	92.4	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-72.3	-28.8	-172.1	68.7	0	0	0	0	113.9	G45 R46 L51 Y52 D483	G45-S49 PolarHBondContact O-N 3.19Å; R46-S49 WeakPolarHBondContact CA-OG 3.36Å; R46-S49 PolarHBondContact O-N 3.47Å; S49-L51 PolarHBondContact O-N 2.95Å; S49-Y52 VanDerWaalsContact O-CB 3.3Å; S49-Y52 WeakPolarHBondContact O-CB 3.37Å; S49-Y52 WeakPolarHBondContact O-CD2 3.38Å; S49-Y52 PolarHBondContact O-N 3.35Å; S49-Y52 VanDerWaalsContact O-N 3.1Å; S49-D483 WeakPolarHBondContact CB-O 3.49Å; S49-D483 PolarHBondContact OG-O 2.86Å
50	Y	92.2	Very high	92.1	Very high	51 Å²	51	56.8 Å²	56.8	20%	0.2	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.1	-180	-75.8	15.6	0	0	0	112.5	R46 T48 Y52 Y485 N486 P487 K489	R46-Y50 HydrophobicContact CB-CD1 4.05Å; R46-Y50 HydrophobicContact CB-CE1 3.69Å; R46-Y50 HydrophobicContact CB-CE2 4.25Å; R46-Y50 HydrophobicContact CB-CG 4.47Å; R46-Y50 WeakPolarHBondContact CD-OH 3.4Å; R46-Y50 HydrophobicContact CG-CD1 4.43Å; R46-Y50 HydrophobicContact CG-CE1 3.66Å; R46-Y50 VanDerWaalsContact O-CB 3.23Å; R46-Y50 WeakPolarHBondContact O-CB 3.42Å; R46-Y50 WeakPolarHBondContact O-CD1 3.22Å; R46-Y50 VanDerWaalsContact O-CG 3.25Å; R46-Y50 PolarHBondContact O-N 2.9Å; T48-Y50 PolarHBondContact O-N 2.94Å; Y50-Y52 VanDerWaalsContact C-N 3.26Å; Y50-Y52 PolarHBondContact O-N 2.84Å; Y50-Y485 VanDerWaalsContact CE1-O 3.31Å; Y50-Y485 WeakPolarHBondContact CE1-O 3.4Å; Y50-N486 VanDerWaalsContact CA-ND2 3.34Å; Y50-N486 WeakPolarHBondContact CA-ND2 3.42Å; Y50-N486 WeakPolarHBondContact CB-ND2 3.41Å; Y50-N486 HydrophobicContact CD1-CB 3.95Å; Y50-N486 HydrophobicContact CE1-CB 4.31Å; Y50-N486 HydrophobicContact CG-CB 4.33Å; Y50-N486 PolarHBondContact O-ND2 2.66Å; Y50-P487 WeakPolarHBondContact OH-CD 3.11Å; Y50-K489 PolarHBondContact O-NZ 3.45Å
51	L	92.3	Very high	91.8	Very high	142 Å²	142	56.9 Å²	56.9	74%	0.743	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.7	174.8	-58.3	176.2	0	0	0	112.8	T48 S49	T48-L51 WeakPolarHBondContact O-CB 3.28Å; T48-L51 PolarHBondContact O-N 2.87Å; S49-L51 PolarHBondContact O-N 2.95Å
52	Y	94.8	Very high	91.5	Very high	19 Å²	19	59.8 Å²	59.8	8%	0.075	33%	0.33	C	S	.	.	S	Bend	trans	-60.4	142.6	-175.5	-64.1	-20.6	0	0	0	112.9	T48 S49 Y50 K489 V522 P523	T48-Y52 HydrophobicContact CG2-CE1 4.36Å; S49-Y52 VanDerWaalsContact O-CB 3.3Å; S49-Y52 WeakPolarHBondContact O-CB 3.37Å; S49-Y52 WeakPolarHBondContact O-CD2 3.38Å; S49-Y52 PolarHBondContact O-N 3.35Å; S49-Y52 VanDerWaalsContact O-N 3.1Å; Y50-Y52 VanDerWaalsContact C-N 3.26Å; Y50-Y52 PolarHBondContact O-N 2.84Å; Y52-K489 PolarHBondContact O-NZ 3.29Å; Y52-V522 HydrophobicContact CD2-CB 4.39Å; Y52-V522 HydrophobicContact CD2-CG1 4.28Å; Y52-V522 HydrophobicContact CD2-CG2 4Å; Y52-V522 HydrophobicContact CE2-CB 4.45Å; Y52-V522 HydrophobicContact CE2-CG1 3.85Å; Y52-V522 HydrophobicContact CE2-CG2 4.34Å; Y52-P523 HydrophobicContact CE1-CG 4.16Å
53	P	94.6	Very high	91.2	Very high	24 Å²	24	59.5 Å²	59.5	16%	0.156	33%	0.326	C	S	.	.			trans	-56.9	139.6	179.9	-23.7	32.8	0	0	0	111.8	E99 I101 I520 R521	P53-E99 WeakPolarHBondContact CB-O 2.99Å; P53-E99 VanDerWaalsContact CG-O 3.31Å; P53-E99 WeakPolarHBondContact CG-O 3.49Å; P53-I101 HydrophobicContact CB-CG1 4.27Å; P53-I520 WeakPolarHBondContact O-CA 3.45Å; P53-R521 HydrophobicContact CB-CB 4.22Å; P53-R521 PolarHBondContact O-N 3.23Å
54	G	94.1	Very high	90.9	Very high	21 Å²	21	55 Å²	55	22%	0.216	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.2	-177	0	0	0	0	0	113.1	V519	G54-V519 CarbonylContact C-O 3.54Å; G54-V519 VanDerWaalsContact CA-O 3.32Å; G54-V519 WeakPolarHBondContact CA-O 3.5Å
55	F	95.5	Very high	90.7	Very high	12 Å²	12	58.8 Å²	58.8	5%	0.053	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.4	177.7	-177.7	-111.8	0	0	0	109.7	G57 L69 I83 F90 I101 P103 C518 V519	F55-G57 VanDerWaalsContact CZ-CA 3.49Å; F55-L69 HydrophobicContact CD1-CD2 4.27Å; F55-L69 HydrophobicContact CE1-CD1 4.12Å; F55-L69 HydrophobicContact CE1-CD2 4.44Å; F55-I83 HydrophobicContact CD1-CD1 3.93Å; F55-I83 HydrophobicContact CE1-CD1 4.26Å; F55-F90 HydrophobicContact CE1-CB 4.39Å; F55-F90 AromaticContact CE1-CD2 3.76Å; F55-F90 HydrophobicContact CE1-CD2 3.76Å; F55-F90 HydrophobicContact CE1-CE2 4.15Å; F55-F90 AromaticContact CE1-CG 3.99Å; F55-F90 HydrophobicContact CE1-CG 3.99Å; F55-F90 HydrophobicContact CZ-CB 4.13Å; F55-F90 AromaticContact CZ-CD1 3.8Å; F55-F90 HydrophobicContact CZ-CD1 3.8Å; F55-F90 AromaticContact CZ-CD2 3.81Å; F55-F90 HydrophobicContact CZ-CD2 3.81Å; F55-F90 HydrophobicContact CZ-CE1 4.11Å; F55-F90 HydrophobicContact CZ-CE2 4.12Å; F55-F90 AromaticContact CZ-CG 3.63Å; F55-F90 HydrophobicContact CZ-CG 3.63Å; F55-F90 HydrophobicContact CZ-CZ 4.27Å; F55-I101 HydrophobicContact CB-CB 3.93Å; F55-I101 HydrophobicContact CB-CD1 4.04Å; F55-I101 HydrophobicContact CB-CG2 3.79Å; F55-I101 HydrophobicContact CD2-CG2 4.25Å; F55-I101 HydrophobicContact CG-CG2 4.13Å; F55-P103 HydrophobicContact CE2-CG 4.24Å; F55-C518 CarbonylContact O-C 3.57Å; F55-C518 WeakPolarHBondContact O-CA 3.47Å; F55-V519 HydrophobicContact CB-CB 4.5Å; F55-V519 PolarHBondContact N-O 2.93Å; F55-V519 PolarHBondContact O-N 2.81Å
56	Q	94.3	Very high	90.7	Very high	57 Å²	57	62.5 Å²	62.5	27%	0.266	32%	0.32	S	S	.	.			trans	-121.8	9.1	-176.3	-61.3	175	-93.3	0	0	112.3	M59 T64 K489	Q56-M59 HydrophobicContact CB-CG 4.13Å; Q56-M59 HydrophobicContact CB-SD 3.56Å; Q56-M59 VanDerWaalsContact CB-SD 3.56Å; Q56-T64 VanDerWaalsContact O-CG2 3.25Å; Q56-T64 WeakPolarHBondContact O-CG2 3.46Å; Q56-K489 WeakPolarHBondContact CG-O 3.23Å; Q56-K489 PolarHBondContact NE2-O 2.97Å
57	G	92.3	Very high	90.7	Very high	11 Å²	11	57.3 Å²	57.3	11%	0.113	30%	0.301	C	S	.	.	S	Bend	trans	84.1	-157.1	-168.8	0	0	0	0	0	112.7	F55 M59	F55-G57 VanDerWaalsContact CZ-CA 3.49Å; G57-M59 PolarHBondContact O-N 3Å
58	L	91.1	Very high	90.9	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.22	26%	0.264	C	S	.	.			trans	-85.1	90.2	-179.3	-175.1	63.3	0	0	0	110.6	S60 D61 T64 F90	L58-S60 WeakPolarHBondContact CD1-OG 3.44Å; L58-S60 WeakPolarHBondContact CG-OG 3.14Å; L58-S60 PolarHBondContact O-N 2.98Å; L58-D61 HydrophobicContact CD2-CB 4.4Å; L58-D61 HydrophobicContact CG-CB 4.45Å; L58-D61 PolarHBondContact O-N 2.83Å; L58-T64 WeakPolarHBondContact O-CB 3.21Å; L58-F90 HydrophobicContact CB-CE1 4.43Å
59	M	87.6	Confident	91.1	Very high	93 Å²	93	46.8 Å²	46.8	46%	0.458	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	1	-179.6	-62.9	-58.6	-71.4	0	0	115.1	Q56 G57 T64 I65	Q56-M59 HydrophobicContact CB-CG 4.13Å; Q56-M59 HydrophobicContact CB-SD 3.56Å; Q56-M59 VanDerWaalsContact CB-SD 3.56Å; G57-M59 PolarHBondContact O-N 3Å; M59-T64 HydrophobicContact SD-CG2 4.37Å; M59-I65 WeakPolarHBondContact O-CD1 3.43Å
60	S	87.2	Confident	91.3	Very high	98 Å²	98	47.3 Å²	47.3	69%	0.685	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	1.1	168.6	74.5	0	0	0	0	113.5	L58	L58-S60 WeakPolarHBondContact CD1-OG 3.44Å; L58-S60 WeakPolarHBondContact CG-OG 3.14Å; L58-S60 PolarHBondContact O-N 2.98Å
61	D	87.6	Confident	91.5	Very high	30 Å²	30	45.2 Å²	45.2	16%	0.16	24%	0.242	C	C	.	.	S	Bend	trans	-101.1	122.7	173.3	-169.3	-26.4	0	0	0	109.5	L58 D63 T64 I65 K110	L58-D61 HydrophobicContact CD2-CB 4.4Å; L58-D61 HydrophobicContact CG-CB 4.45Å; L58-D61 PolarHBondContact O-N 2.83Å; D61-D63 PolarHBondContact O-N 3.31Å; D61-D63 WeakPolarHBondContact OD1-CB 3.41Å; D61-D63 PolarHBondContact OD1-N 3.09Å; D61-T64 WeakPolarHBondContact O-CB 3.39Å; D61-T64 PolarHBondContact O-N 3.46Å; D61-I65 PolarHBondContact O-N 3.11Å; D61-K110 IonicContact OD1-NZ 3.71Å; D61-K110 PolarHBondContact OD1-NZ 3Å; D61-K110 WeakPolarHBondContact OD2-CE 3.44Å; D61-K110 IonicContact OD2-NZ 3.97Å; D61-K110 PolarHBondContact OD2-NZ 3.46Å
62	N	88.7	Confident	91.7	Very high	128 Å²	128	40.3 Å²	40.3	68%	0.684	22%	0.216	S	C	*	.	H	α-helix	trans	-57.4	-32	178.4	-69	-14.5	0	0	0	112.6	R66	N62-R66 VanDerWaalsContact O-CB 3.23Å; N62-R66 WeakPolarHBondContact O-CB 3.42Å; N62-R66 PolarHBondContact O-N 3.13Å
63	D	88.1	Confident	91.8	Very high	33 Å²	33	43.7 Å²	43.7	18%	0.176	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-44.8	173.2	-74.7	-45	0	0	0	110.4	D61 R66 L67 K110 Y128	D61-D63 PolarHBondContact O-N 3.31Å; D61-D63 WeakPolarHBondContact OD1-CB 3.41Å; D61-D63 PolarHBondContact OD1-N 3.09Å; D63-R66 PolarHBondContact O-N 2.87Å; D63-L67 HydrophobicContact CB-CD1 4.38Å; D63-L67 WeakPolarHBondContact O-CA 3.24Å; D63-L67 WeakPolarHBondContact O-CB 3.45Å; D63-L67 VanDerWaalsContact O-CG 3.25Å; D63-L67 WeakPolarHBondContact O-CG 3.4Å; D63-L67 PolarHBondContact O-N 3.17Å; D63-K110 IonicContact OD2-NZ 3.93Å; D63-K110 PolarHBondContact OD2-NZ 3.32Å; D63-Y128 PolarHBondContact OD1-OH 3.35Å
64	T	88.9	Confident	91.9	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-37.1	-179.2	-56	0	0	0	0	112.1	Q56 L58 M59 D61 G68	Q56-T64 VanDerWaalsContact O-CG2 3.25Å; Q56-T64 WeakPolarHBondContact O-CG2 3.46Å; L58-T64 WeakPolarHBondContact O-CB 3.21Å; M59-T64 HydrophobicContact SD-CG2 4.37Å; D61-T64 WeakPolarHBondContact O-CB 3.39Å; D61-T64 PolarHBondContact O-N 3.46Å; T64-G68 WeakPolarHBondContact O-CA 3.36Å; T64-G68 PolarHBondContact O-N 3.5Å
65	I	89.4	Confident	92	Very high	89 Å²	89	43.7 Å²	43.7	46%	0.456	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-42	173.1	-58.9	169.4	0	0	0	110.8	M59 D61 V492	M59-I65 WeakPolarHBondContact O-CD1 3.43Å; D61-I65 PolarHBondContact O-N 3.11Å; I65-V492 WeakPolarHBondContact O-CG1 3.47Å
66	R	89.2	Confident	92	Very high	116 Å²	116	46 Å²	46	44%	0.438	23%	0.23	S	C	.	.	H	α-helix	trans	-78	-32.9	-176.5	-175.7	176.4	75.3	103.9	-4	113.8	N62 D63 D125 Y128	N62-R66 VanDerWaalsContact O-CB 3.23Å; N62-R66 WeakPolarHBondContact O-CB 3.42Å; N62-R66 PolarHBondContact O-N 3.13Å; D63-R66 PolarHBondContact O-N 2.87Å; R66-D125 IonicContact CZ-OD1 3.19Å; R66-D125 IonicContact CZ-OD2 3.49Å; R66-D125 IonicContact NH1-OD1 3.59Å; R66-D125 PolarHBondContact NH1-OD1 3.29Å; R66-D125 IonicContact NH1-OD2 2.89Å; R66-D125 PolarHBondContact NH1-OD2 3.08Å; R66-D125 IonicContact NH2-OD1 2.68Å; R66-D125 PolarHBondContact NH2-OD1 3.18Å; R66-D125 IonicContact NH2-OD2 2.86Å; R66-Y128 PolarHBondContact NH2-OH 2.88Å; R66-Y128 VanDerWaalsContact NH2-OH 3.08Å
67	L	89.1	Confident	91.9	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-119	-18.3	-165.4	-55.4	179.1	0	0	0	113.9	D63 Y128 R493	D63-L67 HydrophobicContact CB-CD1 4.38Å; D63-L67 WeakPolarHBondContact O-CA 3.24Å; D63-L67 WeakPolarHBondContact O-CB 3.45Å; D63-L67 VanDerWaalsContact O-CG 3.25Å; D63-L67 WeakPolarHBondContact O-CG 3.4Å; D63-L67 PolarHBondContact O-N 3.17Å; L67-Y128 HydrophobicContact CD1-CD2 4.42Å; L67-Y128 HydrophobicContact CD1-CE1 4.49Å; L67-Y128 HydrophobicContact CD1-CE2 3.51Å; L67-Y128 WeakPolarHBondContact CD1-OH 3.33Å; L67-R493 PolarHBondContact O-NE 3.01Å
68	G	91.9	Very high	91.8	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.021	25%	0.252	C	S	.	.			trans	82.6	-175.6	-169.7	0	0	0	0	0	112.9	T64 D70 R86	T64-G68 WeakPolarHBondContact O-CA 3.36Å; T64-G68 PolarHBondContact O-N 3.5Å; G68-D70 VanDerWaalsContact C-N 3.27Å; G68-D70 PolarHBondContact O-N 3.38Å; G68-R86 PolarHBondContact O-NH2 3.21Å
69	L	94.1	Very high	91.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.266	C	S	.	.			trans	-61.9	-31.6	176.2	-179.5	61.4	0	0	0	113.3	F55 F71 I83 A85 R86 F90 S517 V519	F55-L69 HydrophobicContact CD1-CD2 4.27Å; F55-L69 HydrophobicContact CE1-CD1 4.12Å; F55-L69 HydrophobicContact CE1-CD2 4.44Å; L69-F71 HydrophobicContact CD2-CB 4.22Å; L69-F71 HydrophobicContact CG-CB 4.42Å; L69-F71 PolarHBondContact O-N 3.29Å; L69-I83 HydrophobicContact CD2-CG2 4.43Å; L69-A85 HydrophobicContact CD1-CB 3.63Å; L69-A85 HydrophobicContact CG-CB 4.14Å; L69-R86 PolarHBondContact O-N 3.44Å; L69-F90 HydrophobicContact CD1-CD2 4.36Å; L69-F90 HydrophobicContact CD1-CE2 3.75Å; L69-S517 WeakPolarHBondContact CB-O 3.22Å; L69-V519 HydrophobicContact CD2-CG2 4.06Å
70	D	94.4	Very high	92.1	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.07	25%	0.252	C	S	.	.			trans	47.3	56.3	-168.7	-69.2	-54	0	0	0	111.4	G68 Q72 R86 Y130 R493 S516	G68-D70 VanDerWaalsContact C-N 3.27Å; G68-D70 PolarHBondContact O-N 3.38Å; D70-Q72 PolarHBondContact O-NE2 3.35Å; D70-R86 HydrophobicContact CB-CB 3.62Å; D70-R86 PolarHBondContact O-N 2.93Å; D70-R86 VanDerWaalsContact OD2-CD 3.28Å; D70-R86 WeakPolarHBondContact OD2-CD 3.34Å; D70-R86 IonicContact OD2-CZ 2.71Å; D70-R86 IonicContact OD2-NE 3.31Å; D70-R86 PolarHBondContact OD2-NE 2.89Å; D70-Y130 HydrophobicContact CB-CD1 4.18Å; D70-Y130 HydrophobicContact CB-CE1 3.75Å; D70-R493 VanDerWaalsContact CG-NH2 3.3Å; D70-R493 IonicContact OD1-CZ 2.74Å; D70-R493 IonicContact OD1-NE 3.64Å; D70-R493 IonicContact OD1-NH2 2.74Å; D70-R493 PolarHBondContact OD1-NH2 3.24Å; D70-R493 IonicContact OD2-NH2 2.73Å; D70-R493 PolarHBondContact OD2-NH2 2.92Å; D70-S516 CarbonylContact C-O 3.56Å; D70-S516 VanDerWaalsContact CA-O 3.24Å; D70-S516 WeakPolarHBondContact CA-O 3.31Å; D70-S516 PolarHBondContact N-O 3.33Å
71	F	96.8	Very high	92.5	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.031	22%	0.219	C	C	.	.			trans	-51.9	139.8	-177.6	172.1	-96.8	0	0	0	113.3	L69 R73 M74 I83 L500 A514 F515 S516 V519	L69-F71 HydrophobicContact CD2-CB 4.22Å; L69-F71 HydrophobicContact CG-CB 4.42Å; L69-F71 PolarHBondContact O-N 3.29Å; F71-R73 VanDerWaalsContact CE2-C 3.43Å; F71-R73 WeakPolarHBondContact CE2-O 3.36Å; F71-M74 HydrophobicContact CE2-CG 3.6Å; F71-M74 HydrophobicContact CZ-CG 3.82Å; F71-I83 HydrophobicContact CD2-CG2 3.91Å; F71-I83 HydrophobicContact CE2-CG2 4.09Å; F71-L500 HydrophobicContact CD1-CB 3.72Å; F71-L500 HydrophobicContact CD1-CD1 4.08Å; F71-L500 HydrophobicContact CE1-CB 3.86Å; F71-A514 HydrophobicContact CD1-CB 3.81Å; F71-A514 HydrophobicContact CD2-CB 3.91Å; F71-A514 HydrophobicContact CE1-CB 3.52Å; F71-A514 HydrophobicContact CE2-CB 3.65Å; F71-A514 HydrophobicContact CG-CB 3.98Å; F71-A514 HydrophobicContact CZ-CB 3.43Å; F71-A514 VanDerWaalsContact CZ-CB 3.43Å; F71-F515 WeakPolarHBondContact CB-O 3.39Å; F71-S516 PolarHBondContact N-O 2.87Å; F71-V519 HydrophobicContact CD2-CG2 4.19Å
72	Q	96.6	Very high	93	Very high	39 Å²	39	45 Å²	45	18%	0.182	21%	0.213	C	C	.	.			trans	-122.5	-46.6	179.2	-58.6	-54.2	-48.7	0	0	114.3	D70 A84 I131 K132	D70-Q72 PolarHBondContact O-NE2 3.35Å; Q72-A84 PolarHBondContact N-O 3.29Å; Q72-I131 WeakPolarHBondContact CB-O 3.49Å; Q72-K132 HydrophobicContact CB-CD 4.44Å; Q72-K132 HydrophobicContact CG-CD 4.2Å
73	R	96.1	Very high	93.5	Very high	91 Å²	91	39 Å²	39	34%	0.343	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	149.9	-176.9	-172.4	163.9	-173.5	112.8	5.1	112.3	F71 A84	F71-R73 VanDerWaalsContact CE2-C 3.43Å; F71-R73 WeakPolarHBondContact CE2-O 3.36Å; R73-A84 HydrophobicContact CB-CB 4.28Å; R73-A84 PolarHBondContact N-O 3.33Å; R73-A84 PolarHBondContact O-N 2.94Å
74	M	97.2	Very high	94	Very high	16 Å²	16	37.4 Å²	37.4	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	149.2	162	-70.2	-171.5	-72.3	0	0	110.4	F71 L81 Y82 I83 E503 F512 A514 V519	F71-M74 HydrophobicContact CE2-CG 3.6Å; F71-M74 HydrophobicContact CZ-CG 3.82Å; M74-L81 HydrophobicContact CB-CD1 4.09Å; M74-L81 HydrophobicContact CG-CD1 4.32Å; M74-L81 HydrophobicContact SD-CD1 4.23Å; M74-L81 HydrophobicContact SD-CD2 4.38Å; M74-Y82 CarbonylContact C-O 3.54Å; M74-Y82 WeakPolarHBondContact CA-O 3.32Å; M74-I83 HydrophobicContact CG-CG1 4.32Å; M74-E503 HydrophobicContact CB-CB 4.15Å; M74-E503 HydrophobicContact CB-CG 4.48Å; M74-E503 HydrophobicContact CE-CB 3.65Å; M74-E503 HydrophobicContact SD-CB 3.94Å; M74-F512 HydrophobicContact CE-CB 4.18Å; M74-F512 HydrophobicContact SD-CB 3.87Å; M74-A514 HydrophobicContact CE-CB 3.83Å; M74-A514 HydrophobicContact SD-CB 4.45Å; M74-V519 HydrophobicContact SD-CG1 4.11Å
75	L	95.9	Very high	94.4	Very high	29 Å²	29	37.2 Å²	37.2	15%	0.152	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	110.4	171.5	174.2	67.9	0	0	0	108.5	I77 Y82 L134 L142	L75-I77 HydrophobicContact CD1-CG1 4.48Å; L75-I77 HydrophobicContact CD2-CD1 4Å; L75-I77 HydrophobicContact CD2-CG1 4.28Å; L75-I77 HydrophobicContact CG-CD1 4.33Å; L75-I77 HydrophobicContact CG-CG1 4.05Å; L75-Y82 PolarHBondContact N-O 3.27Å; L75-Y82 PolarHBondContact O-N 3.37Å; L75-L134 HydrophobicContact CB-CD2 4.48Å; L75-L134 HydrophobicContact CD2-CD2 4.41Å; L75-L134 HydrophobicContact CD2-CG 3.99Å; L75-L142 HydrophobicContact CD2-CD2 4.06Å
76	R	94.8	Very high	94.7	Very high	59 Å²	59	33 Å²	33	22%	0.223	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.9	167.2	-176.7	177.7	173.8	-169.4	-4.3	111.3	N78 M80 L94 E503 L504 D505 D507	R76-N78 PolarHBondContact NE-O 3.08Å; R76-N78 PolarHBondContact NH2-O 3.02Å; R76-M80 WeakPolarHBondContact CA-O 3.45Å; R76-L94 HydrophobicContact CG-CD1 4.21Å; R76-E503 HydrophobicContact CB-CG 3.94Å; R76-E503 PolarHBondContact N-OE2 3.43Å; R76-E503 VanDerWaalsContact N-OE2 3.16Å; R76-L504 PolarHBondContact NH1-O 3.35Å; R76-L504 VanDerWaalsContact NH1-O 3.11Å; R76-D505 IonicContact NH1-OD1 3.09Å; R76-D507 IonicContact CZ-OD2 3.66Å; R76-D507 IonicContact NH1-OD2 3.64Å; R76-D507 PolarHBondContact NH1-OD2 3.02Å; R76-D507 IonicContact NH2-OD2 3.51Å; R76-D507 PolarHBondContact NH2-OD2 2.89Å
77	I	93.4	Very high	95	Very high	31 Å²	31	27.5 Å²	27.5	16%	0.159	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.7	165.8	-51.3	-178.8	0	0	0	108	L75 H79 M80 Y82 P136 L142 M159	L75-I77 HydrophobicContact CD1-CG1 4.48Å; L75-I77 HydrophobicContact CD2-CD1 4Å; L75-I77 HydrophobicContact CD2-CG1 4.28Å; L75-I77 HydrophobicContact CG-CD1 4.33Å; L75-I77 HydrophobicContact CG-CG1 4.05Å; I77-H79 PolarHBondContact O-N 2.63Å; I77-H79 VanDerWaalsContact O-N 3.13Å; I77-M80 PolarHBondContact N-O 3.02Å; I77-M80 PolarHBondContact O-N 3.28Å; I77-M80 VanDerWaalsContact O-O 3.13Å; I77-Y82 HydrophobicContact CB-CE2 4.28Å; I77-Y82 HydrophobicContact CD1-CE2 4.27Å; I77-Y82 HydrophobicContact CG1-CD2 4.44Å; I77-Y82 HydrophobicContact CG1-CE2 4.32Å; I77-P136 HydrophobicContact CD1-CB 4.4Å; I77-L142 HydrophobicContact CD1-CD2 3.75Å; I77-M159 HydrophobicContact CB-SD 4.46Å; I77-M159 HydrophobicContact CD1-CE 3.67Å; I77-M159 HydrophobicContact CD1-SD 3.79Å; I77-M159 HydrophobicContact CG2-SD 3.97Å
78	N	89.3	Confident	95.4	Very high	127 Å²	127	27.6 Å²	27.6	68%	0.679	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	-114.3	-177	-57.2	-31.9	0	0	0	112	R76	R76-N78 PolarHBondContact NE-O 3.08Å; R76-N78 PolarHBondContact NH2-O 3.02Å
79	H	90.6	Very high	95.7	Very high	114 Å²	114	27.6 Å²	27.6	53%	0.528	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	5.9	177.4	-52	-68.3	0	0	0	113.6	I77 L94	I77-H79 PolarHBondContact O-N 2.63Å; I77-H79 VanDerWaalsContact O-N 3.13Å; H79-L94 WeakPolarHBondContact O-CB 3.27Å; H79-L94 WeakPolarHBondContact O-CG 3.05Å; H79-L94 PolarHBondContact O-N 3.15Å
80	M	94.5	Very high	95.9	Very high	32 Å²	32	27.6 Å²	27.6	16%	0.158	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.3	178.7	-61.8	-56	-65.2	0	0	111.1	R76 I77 Y82 A91 I92 N93 Q104	R76-M80 WeakPolarHBondContact CA-O 3.45Å; I77-M80 PolarHBondContact N-O 3.02Å; I77-M80 PolarHBondContact O-N 3.28Å; I77-M80 VanDerWaalsContact O-O 3.13Å; M80-Y82 HydrophobicContact CB-CD2 4.4Å; M80-Y82 HydrophobicContact CB-CE2 3.67Å; M80-A91 HydrophobicContact CE-CB 3.88Å; M80-I92 WeakPolarHBondContact CA-O 3.46Å; M80-N93 HydrophobicContact CE-CB 4.37Å; M80-N93 HydrophobicContact SD-CB 3.99Å; M80-Q104 HydrophobicContact CE-CB 4.43Å
81	L	96.9	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.6	170.2	174.3	60	0	0	0	109.2	M74 I83 I92 L94 E503 F512	M74-L81 HydrophobicContact CB-CD1 4.09Å; M74-L81 HydrophobicContact CG-CD1 4.32Å; M74-L81 HydrophobicContact SD-CD1 4.23Å; M74-L81 HydrophobicContact SD-CD2 4.38Å; L81-I83 HydrophobicContact CG-CG1 4.31Å; L81-I92 HydrophobicContact CB-CB 4.36Å; L81-I92 PolarHBondContact N-O 3.27Å; L81-I92 PolarHBondContact O-N 3.38Å; L81-L94 HydrophobicContact CB-CD2 3.76Å; L81-L94 HydrophobicContact CB-CG 4.17Å; L81-L94 HydrophobicContact CD2-CD2 4.2Å; L81-E503 HydrophobicContact CD1-CB 4.46Å; L81-E503 HydrophobicContact CD1-CG 3.81Å; L81-F512 HydrophobicContact CD2-CB 4.27Å; L81-F512 HydrophobicContact CD2-CD1 3.61Å; L81-F512 HydrophobicContact CD2-CD2 3.93Å; L81-F512 HydrophobicContact CD2-CE1 3.84Å; L81-F512 HydrophobicContact CD2-CE2 4.15Å; L81-F512 HydrophobicContact CD2-CG 3.65Å; L81-F512 HydrophobicContact CD2-CZ 4.11Å
82	Y	98	Very high	95.9	Very high	8 Å²	8	26.6 Å²	26.6	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.5	174.4	-60.2	-92	0	0	0	110.1	M74 L75 I77 M80 V89 F90 A91 L142 M159 L162	M74-Y82 CarbonylContact C-O 3.54Å; M74-Y82 WeakPolarHBondContact CA-O 3.32Å; L75-Y82 PolarHBondContact N-O 3.27Å; L75-Y82 PolarHBondContact O-N 3.37Å; I77-Y82 HydrophobicContact CB-CE2 4.28Å; I77-Y82 HydrophobicContact CD1-CE2 4.27Å; I77-Y82 HydrophobicContact CG1-CD2 4.44Å; I77-Y82 HydrophobicContact CG1-CE2 4.32Å; M80-Y82 HydrophobicContact CB-CD2 4.4Å; M80-Y82 HydrophobicContact CB-CE2 3.67Å; Y82-V89 HydrophobicContact CD1-CG1 4.35Å; Y82-F90 CarbonylContact C-O 3.41Å; Y82-F90 VanDerWaalsContact CA-O 3.31Å; Y82-F90 WeakPolarHBondContact CA-O 3.41Å; Y82-A91 HydrophobicContact CD1-CB 3.66Å; Y82-A91 HydrophobicContact CE1-CB 3.48Å; Y82-A91 VanDerWaalsContact CE1-CB 3.48Å; Y82-L142 HydrophobicContact CD1-CD1 4.04Å; Y82-L142 HydrophobicContact CE1-CD1 3.78Å; Y82-M159 HydrophobicContact CE2-CG 4.48Å; Y82-M159 WeakPolarHBondContact OH-CG 3.48Å; Y82-M159 PolarHBondContact OH-O 2.96Å; Y82-M159 VanDerWaalsContact OH-O 3.09Å; Y82-L162 HydrophobicContact CD1-CD2 4.41Å; Y82-L162 HydrophobicContact CE1-CD2 4.03Å
83	I	98.3	Very high	95.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.8	175	-59.1	-179.5	0	0	0	108.5	F55 L69 F71 M74 L81 V89 F90 I92 V519	F55-I83 HydrophobicContact CD1-CD1 3.93Å; F55-I83 HydrophobicContact CE1-CD1 4.26Å; L69-I83 HydrophobicContact CD2-CG2 4.43Å; F71-I83 HydrophobicContact CD2-CG2 3.91Å; F71-I83 HydrophobicContact CE2-CG2 4.09Å; M74-I83 HydrophobicContact CG-CG1 4.32Å; L81-I83 HydrophobicContact CG-CG1 4.31Å; I83-V89 CarbonylContact O-C 3.59Å; I83-V89 VanDerWaalsContact O-CA 3.32Å; I83-V89 WeakPolarHBondContact O-CA 3.26Å; I83-F90 HydrophobicContact CB-CB 4.45Å; I83-F90 PolarHBondContact N-O 2.91Å; I83-F90 PolarHBondContact O-N 2.89Å; I83-I92 HydrophobicContact CD1-CD1 3.34Å; I83-I92 HydrophobicContact CG1-CD1 3.92Å; I83-V519 HydrophobicContact CD1-CB 4.32Å; I83-V519 HydrophobicContact CD1-CG1 4.44Å; I83-V519 HydrophobicContact CD1-CG2 4.05Å; I83-V519 HydrophobicContact CG2-CG2 4.49Å
84	A	98.2	Very high	95.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.9	172.6	0	0	0	0	0	110.7	Q72 R73 V89 I131 L134	Q72-A84 PolarHBondContact N-O 3.29Å; R73-A84 HydrophobicContact CB-CB 4.28Å; R73-A84 PolarHBondContact N-O 3.33Å; R73-A84 PolarHBondContact O-N 2.94Å; A84-V89 HydrophobicContact CB-CG2 4.48Å; A84-I131 HydrophobicContact CB-CB 4.15Å; A84-I131 HydrophobicContact CB-CG2 4.02Å; A84-L134 HydrophobicContact CB-CB 4.41Å; A84-L134 HydrophobicContact CB-CD2 4.23Å
85	A	97.3	Very high	95.1	Very high	1 Å²	1	24 Å²	24	1%	0.008	13%	0.128	C	C	.	.			trans	-142.4	-170.5	-168.9	0	0	0	0	0	111.4	L69 H88 F90 I131	L69-A85 HydrophobicContact CD1-CB 3.63Å; L69-A85 HydrophobicContact CG-CB 4.14Å; A85-H88 PolarHBondContact N-O 3.42Å; A85-F90 HydrophobicContact CB-CE2 4.15Å; A85-I131 PolarHBondContact O-N 3.09Å
86	R	96.2	Very high	94.6	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.008	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-68	130.4	162.5	178.3	-175.3	49.6	66	6.3	110.1	G68 L69 D70 H88 Y128 Y130	G68-R86 PolarHBondContact O-NH2 3.21Å; L69-R86 PolarHBondContact O-N 3.44Å; D70-R86 HydrophobicContact CB-CB 3.62Å; D70-R86 PolarHBondContact O-N 2.93Å; D70-R86 VanDerWaalsContact OD2-CD 3.28Å; D70-R86 WeakPolarHBondContact OD2-CD 3.34Å; D70-R86 IonicContact OD2-CZ 2.71Å; D70-R86 IonicContact OD2-NE 3.31Å; D70-R86 PolarHBondContact OD2-NE 2.89Å; R86-H88 PolarHBondContact O-CD2 3.34Å; R86-H88 VanDerWaalsContact O-CD2 3.29Å; R86-H88 PolarHBondContact O-N 2.92Å; R86-Y128 HydrophobicContact CG-CD1 4.35Å; R86-Y128 HydrophobicContact CG-CG 4.08Å; R86-Y130 HydrophobicContact CB-CD1 3.71Å; R86-Y130 HydrophobicContact CB-CE1 3.71Å; R86-Y130 HydrophobicContact CG-CD1 4.06Å; R86-Y130 HydrophobicContact CG-CE1 3.78Å
87	D	96	Very high	93.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	56	0.1	178.5	-52.2	-50.4	0	0	0	116.8	W109 K110 Y128 N129	D87-W109 CarbonylContact O-C 3.5Å; D87-W109 PolarHBondContact O-N 2.92Å; D87-K110 HydrophobicContact CB-CG 3.58Å; D87-Y128 VanDerWaalsContact OD2-CD1 3.23Å; D87-Y128 WeakPolarHBondContact OD2-CD1 3.29Å; D87-N129 WeakPolarHBondContact CA-O 3.47Å; D87-N129 PolarHBondContact N-O 3.11Å; D87-N129 PolarHBondContact OD1-N 2.89Å
88	H	97.1	Very high	93.1	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.023	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.8	-166.2	-67.5	-70.4	0	0	0	113.8	A85 R86 F90 L107 T108	A85-H88 PolarHBondContact N-O 3.42Å; R86-H88 PolarHBondContact O-CD2 3.34Å; R86-H88 VanDerWaalsContact O-CD2 3.29Å; R86-H88 PolarHBondContact O-N 2.92Å; H88-F90 HydrophobicContact CB-CD2 4.28Å; H88-F90 HydrophobicContact CB-CE1 4.33Å; H88-F90 HydrophobicContact CB-CE2 3.56Å; H88-F90 HydrophobicContact CB-CZ 3.58Å; H88-F90 AromaticContact CG-CZ 3.83Å; H88-L107 WeakPolarHBondContact CA-O 3.38Å; H88-L107 PolarHBondContact ND1-O 3.08Å; H88-T108 PolarHBondContact CE1-OG1 3.09Å; H88-T108 VanDerWaalsContact CE1-OG1 3.23Å; H88-T108 PolarHBondContact ND1-OG1 2.97Å
89	V	98.1	Very high	92.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129	158.2	-178.2	0	0	0	0	107.9	Y82 I83 A84 K106 L107 I131 L134	Y82-V89 HydrophobicContact CD1-CG1 4.35Å; I83-V89 CarbonylContact O-C 3.59Å; I83-V89 VanDerWaalsContact O-CA 3.32Å; I83-V89 WeakPolarHBondContact O-CA 3.26Å; A84-V89 HydrophobicContact CB-CG2 4.48Å; V89-K106 WeakPolarHBondContact O-CA 3.46Å; V89-L107 HydrophobicContact CB-CB 4.09Å; V89-L107 HydrophobicContact CB-CD2 4.3Å; V89-L107 HydrophobicContact CG2-CD2 4.1Å; V89-L107 PolarHBondContact N-O 2.94Å; V89-L107 PolarHBondContact O-N 2.75Å; V89-I131 HydrophobicContact CG2-CB 4.39Å; V89-I131 HydrophobicContact CG2-CG1 4.2Å; V89-I131 HydrophobicContact CG2-CG2 3.93Å; V89-L134 HydrophobicContact CG1-CD2 3.67Å; V89-L134 HydrophobicContact CG2-CD2 4.43Å
90	F	97.5	Very high	92.4	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.4	179.2	-57.7	-82	0	0	0	109.6	F55 L58 L69 Y82 I83 A85 H88 P103 K106	F55-F90 HydrophobicContact CE1-CB 4.39Å; F55-F90 AromaticContact CE1-CD2 3.76Å; F55-F90 HydrophobicContact CE1-CD2 3.76Å; F55-F90 HydrophobicContact CE1-CE2 4.15Å; F55-F90 AromaticContact CE1-CG 3.99Å; F55-F90 HydrophobicContact CE1-CG 3.99Å; F55-F90 HydrophobicContact CZ-CB 4.13Å; F55-F90 AromaticContact CZ-CD1 3.8Å; F55-F90 HydrophobicContact CZ-CD1 3.8Å; F55-F90 AromaticContact CZ-CD2 3.81Å; F55-F90 HydrophobicContact CZ-CD2 3.81Å; F55-F90 HydrophobicContact CZ-CE1 4.11Å; F55-F90 HydrophobicContact CZ-CE2 4.12Å; F55-F90 AromaticContact CZ-CG 3.63Å; F55-F90 HydrophobicContact CZ-CG 3.63Å; F55-F90 HydrophobicContact CZ-CZ 4.27Å; L58-F90 HydrophobicContact CB-CE1 4.43Å; L69-F90 HydrophobicContact CD1-CD2 4.36Å; L69-F90 HydrophobicContact CD1-CE2 3.75Å; Y82-F90 CarbonylContact C-O 3.41Å; Y82-F90 VanDerWaalsContact CA-O 3.31Å; Y82-F90 WeakPolarHBondContact CA-O 3.41Å; I83-F90 HydrophobicContact CB-CB 4.45Å; I83-F90 PolarHBondContact N-O 2.91Å; I83-F90 PolarHBondContact O-N 2.89Å; A85-F90 HydrophobicContact CB-CE2 4.15Å; H88-F90 HydrophobicContact CB-CD2 4.28Å; H88-F90 HydrophobicContact CB-CE1 4.33Å; H88-F90 HydrophobicContact CB-CE2 3.56Å; H88-F90 HydrophobicContact CB-CZ 3.58Å; H88-F90 AromaticContact CG-CZ 3.83Å; F90-P103 HydrophobicContact CB-CB 4.18Å; F90-P103 HydrophobicContact CD1-CB 4.24Å; F90-P103 HydrophobicContact CD1-CG 4.36Å; F90-K106 HydrophobicContact CD1-CB 4.06Å; F90-K106 HydrophobicContact CE1-CB 4.39Å
91	A	96.8	Very high	92.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.6	174	0	0	0	0	0	109.8	M80 Y82 P103 Q104 Q105 L162	M80-A91 HydrophobicContact CE-CB 3.88Å; Y82-A91 HydrophobicContact CD1-CB 3.66Å; Y82-A91 HydrophobicContact CE1-CB 3.48Å; Y82-A91 VanDerWaalsContact CE1-CB 3.48Å; A91-P103 CarbonylContact O-C 3.58Å; A91-P103 WeakPolarHBondContact O-CA 3.29Å; A91-Q104 PolarHBondContact O-N 2.99Å; A91-Q105 HydrophobicContact CB-CB 4.14Å; A91-Q105 PolarHBondContact N-O 2.95Å; A91-Q105 PolarHBondContact O-N 2.67Å; A91-L162 HydrophobicContact CB-CD1 4.09Å
92	I	95.6	Very high	92	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.7	-176.1	-69.2	151.4	0	0	0	108.6	M80 L81 I83 S97 I101 P103	M80-I92 WeakPolarHBondContact CA-O 3.46Å; L81-I92 HydrophobicContact CB-CB 4.36Å; L81-I92 PolarHBondContact N-O 3.27Å; L81-I92 PolarHBondContact O-N 3.38Å; I83-I92 HydrophobicContact CD1-CD1 3.34Å; I83-I92 HydrophobicContact CG1-CD1 3.92Å; I92-S97 WeakPolarHBondContact CG2-OG 3.47Å; I92-I101 HydrophobicContact CD1-CG2 3.52Å; I92-I101 HydrophobicContact CG1-CG2 4.08Å; I92-I101 HydrophobicContact CG2-CG2 4.09Å; I92-P103 HydrophobicContact CG1-CB 4.34Å
93	N	93.6	Very high	91.7	Very high	43 Å²	43	33.9 Å²	33.9	23%	0.23	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.3	173.5	-170.2	-44.2	0	0	0	109.1	M80 G95 T96 S97 Q104	M80-N93 HydrophobicContact CE-CB 4.37Å; M80-N93 HydrophobicContact SD-CB 3.99Å; N93-G95 VanDerWaalsContact C-N 3.33Å; N93-G95 PolarHBondContact O-N 3.47Å; N93-G95 PolarHBondContact OD1-N 3.42Å; N93-G95 VanDerWaalsContact OD1-N 3.12Å; N93-T96 PolarHBondContact O-N 3.07Å; N93-T96 PolarHBondContact O-OG1 3.47Å; N93-S97 WeakPolarHBondContact O-CB 3.43Å; N93-S97 PolarHBondContact O-N 3.35Å; N93-S97 PolarHBondContact O-OG 2.93Å; N93-Q104 PolarHBondContact ND2-OE1 3.33Å
94	L	92.2	Very high	91.5	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.1	-37.7	-174.6	-69.5	174.9	0	0	0	112	R76 H79 L81 T96 S97 D505 F512	R76-L94 HydrophobicContact CG-CD1 4.21Å; H79-L94 WeakPolarHBondContact O-CB 3.27Å; H79-L94 WeakPolarHBondContact O-CG 3.05Å; H79-L94 PolarHBondContact O-N 3.15Å; L81-L94 HydrophobicContact CB-CD2 3.76Å; L81-L94 HydrophobicContact CB-CG 4.17Å; L81-L94 HydrophobicContact CD2-CD2 4.2Å; L94-T96 VanDerWaalsContact C-N 3.28Å; L94-T96 PolarHBondContact O-N 3.22Å; L94-S97 PolarHBondContact O-N 3.42Å; L94-D505 WeakPolarHBondContact CB-OD2 3.45Å; L94-D505 HydrophobicContact CD1-CB 4.47Å; L94-F512 HydrophobicContact CD2-CD2 4.42Å; L94-F512 HydrophobicContact CD2-CE2 3.46Å; L94-F512 VanDerWaalsContact CD2-CE2 3.46Å; L94-F512 HydrophobicContact CD2-CZ 3.56Å
95	G	87.4	Confident	91.3	Very high	44 Å²	44	41.8 Å²	41.8	45%	0.454	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-68.3	-21	-178.1	0	0	0	0	0	114.9	N93 H508	N93-G95 VanDerWaalsContact C-N 3.33Å; N93-G95 PolarHBondContact O-N 3.47Å; N93-G95 PolarHBondContact OD1-N 3.42Å; N93-G95 VanDerWaalsContact OD1-N 3.12Å; G95-H508 WeakPolarHBondContact CA-NE2 3.16Å
96	T	85.6	Confident	91.2	Very high	101 Å²	101	47.1 Å²	47.1	62%	0.62	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-103.5	-1.5	177.2	63.5	0	0	0	0	113.7	N93 L94 S98	N93-T96 PolarHBondContact O-N 3.07Å; N93-T96 PolarHBondContact O-OG1 3.47Å; L94-T96 VanDerWaalsContact C-N 3.28Å; L94-T96 PolarHBondContact O-N 3.22Å; T96-S98 PolarHBondContact O-N 3.41Å
97	S	79.2	Confident	91.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.			trans	-100.9	36.8	-170.3	-62	0	0	0	0	113.7	I92 N93 L94 Q100 R521	I92-S97 WeakPolarHBondContact CG2-OG 3.47Å; N93-S97 WeakPolarHBondContact O-CB 3.43Å; N93-S97 PolarHBondContact O-N 3.35Å; N93-S97 PolarHBondContact O-OG 2.93Å; L94-S97 PolarHBondContact O-N 3.42Å; S97-Q100 WeakPolarHBondContact CA-O 3.38Å; S97-R521 WeakPolarHBondContact O-CD 3.48Å; S97-R521 PolarHBondContact O-NE 2.94Å
98	S	76.4	Confident	91.2	Very high	68 Å²	68	51.4 Å²	51.4	48%	0.476	28%	0.278	S	S	.	.	S	Bend	trans	-68.2	-56.6	-178	49.9	0	0	0	0	112.6	T96 R521	T96-S98 PolarHBondContact O-N 3.41Å; S98-R521 PolarHBondContact O-NH1 2.97Å
99	E	80.2	Confident	91.1	Very high	173 Å²	173	51.6 Å²	51.6	81%	0.808	28%	0.279	S	S	*	.	S	Bend	trans	-95.4	-31.1	-174.6	-63.3	-178.7	177.5	0	0	113.2	P53	P53-E99 WeakPolarHBondContact CB-O 2.99Å; P53-E99 VanDerWaalsContact CG-O 3.31Å; P53-E99 WeakPolarHBondContact CG-O 3.49Å
100	Q	85.8	Confident	91	Very high	122 Å²	122	55.2 Å²	55.2	57%	0.57	29%	0.294	S	S	*	.	S	Bend	trans	-141.4	141.7	177.3	-168.9	175.5	15.3	0	0	110.5	S97 I102	S97-Q100 WeakPolarHBondContact CA-O 3.38Å; Q100-I102 HydrophobicContact CB-CD1 4.29Å; Q100-I102 HydrophobicContact CB-CG1 4.09Å; Q100-I102 HydrophobicContact CG-CD1 4.33Å; Q100-I102 HydrophobicContact CG-CG1 3.86Å; Q100-I102 PolarHBondContact O-N 3.4Å
101	I	92.3	Very high	90.7	Very high	5 Å²	5	56 Å²	56	3%	0.026	30%	0.299	C	S	.	.			trans	-84.8	104.2	174.6	-53.8	175.1	0	0	0	108	P53 F55 I92 F512 R521	P53-I101 HydrophobicContact CB-CG1 4.27Å; F55-I101 HydrophobicContact CB-CB 3.93Å; F55-I101 HydrophobicContact CB-CD1 4.04Å; F55-I101 HydrophobicContact CB-CG2 3.79Å; F55-I101 HydrophobicContact CD2-CG2 4.25Å; F55-I101 HydrophobicContact CG-CG2 4.13Å; I92-I101 HydrophobicContact CD1-CG2 3.52Å; I92-I101 HydrophobicContact CG1-CG2 4.08Å; I92-I101 HydrophobicContact CG2-CG2 4.09Å; I101-F512 HydrophobicContact CD1-CD1 4.3Å; I101-F512 HydrophobicContact CD1-CE1 4.12Å; I101-F512 HydrophobicContact CG1-CE1 4.33Å; I101-R521 HydrophobicContact CD1-CB 3.96Å; I101-R521 HydrophobicContact CG1-CB 4.28Å
102	I	90.3	Very high	90.4	Very high	95 Å²	95	65.8 Å²	65.8	49%	0.487	34%	0.342	S	S	.	.			trans	-118.5	126.6	-177.8	-54.9	-179.8	0	0	0	109.4	Q100 Q104	Q100-I102 HydrophobicContact CB-CD1 4.29Å; Q100-I102 HydrophobicContact CB-CG1 4.09Å; Q100-I102 HydrophobicContact CG-CD1 4.33Å; Q100-I102 HydrophobicContact CG-CG1 3.86Å; Q100-I102 PolarHBondContact O-N 3.4Å; I102-Q104 PolarHBondContact O-N 2.9Å
103	P	92.8	Very high	89.9	Confident	45 Å²	45	67.7 Å²	67.7	29%	0.292	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.3	176.2	29.7	-33	0	0	0	110.9	F55 F90 A91 I92 Q105	F55-P103 HydrophobicContact CE2-CG 4.24Å; F90-P103 HydrophobicContact CB-CB 4.18Å; F90-P103 HydrophobicContact CD1-CB 4.24Å; F90-P103 HydrophobicContact CD1-CG 4.36Å; A91-P103 CarbonylContact O-C 3.58Å; A91-P103 WeakPolarHBondContact O-CA 3.29Å; I92-P103 HydrophobicContact CG1-CB 4.34Å; P103-Q105 VanDerWaalsContact C-N 3.35Å
104	Q	92.6	Very high	89.6	Confident	115 Å²	115	68.6 Å²	68.6	54%	0.537	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-34.2	171.3	-175.7	-178.7	-15.5	0	0	111	M80 A91 N93 I102	M80-Q104 HydrophobicContact CE-CB 4.43Å; A91-Q104 PolarHBondContact O-N 2.99Å; N93-Q104 PolarHBondContact ND2-OE1 3.33Å; I102-Q104 PolarHBondContact O-N 2.9Å
105	Q	93.8	Very high	89.3	Confident	50 Å²	50	71.8 Å²	71.8	23%	0.234	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.8	176.2	-47.6	-175.7	15.4	0	0	110.9	A91 P103 S160 T161 L162	A91-Q105 HydrophobicContact CB-CB 4.14Å; A91-Q105 PolarHBondContact N-O 2.95Å; A91-Q105 PolarHBondContact O-N 2.67Å; P103-Q105 VanDerWaalsContact C-N 3.35Å; Q105-S160 PolarHBondContact NE2-O 2.97Å; Q105-S160 PolarHBondContact OE1-O 3.39Å; Q105-T161 VanDerWaalsContact OE1-CA 3.28Å; Q105-T161 PolarHBondContact OE1-O 2.74Å; Q105-L162 HydrophobicContact CB-CD1 3.93Å; Q105-L162 HydrophobicContact CB-CG 4.43Å
106	K	94.9	Very high	89.4	Confident	113 Å²	113	73.9 Å²	73.9	49%	0.491	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	134.7	173.8	67.8	-176.6	-177.9	-178.1	0	111.5	V89 F90	V89-K106 WeakPolarHBondContact O-CA 3.46Å; F90-K106 HydrophobicContact CD1-CB 4.06Å; F90-K106 HydrophobicContact CE1-CB 4.39Å
107	L	96.6	Very high	89.6	Confident	15 Å²	15	69.1 Å²	69.1	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142.1	161.9	174.9	59.7	0	0	0	109.2	H88 V89 Y157 L162	H88-L107 WeakPolarHBondContact CA-O 3.38Å; H88-L107 PolarHBondContact ND1-O 3.08Å; V89-L107 HydrophobicContact CB-CB 4.09Å; V89-L107 HydrophobicContact CB-CD2 4.3Å; V89-L107 HydrophobicContact CG2-CD2 4.1Å; V89-L107 PolarHBondContact N-O 2.94Å; V89-L107 PolarHBondContact O-N 2.75Å; L107-Y157 HydrophobicContact CD1-CD1 4.06Å; L107-Y157 HydrophobicContact CD1-CE1 3.34Å; L107-Y157 HydrophobicContact CD2-CD1 4.15Å; L107-Y157 HydrophobicContact CD2-CD2 4.07Å; L107-Y157 HydrophobicContact CD2-CE1 3.76Å; L107-Y157 HydrophobicContact CD2-CE2 3.63Å; L107-Y157 HydrophobicContact CD2-CG 4.31Å; L107-Y157 VanDerWaalsContact CD2-CZ 3.46Å; L107-Y157 HydrophobicContact CG-CE1 4.21Å; L107-L162 HydrophobicContact CB-CB 4.36Å; L107-L162 HydrophobicContact CB-CD1 4.24Å
108	T	95.9	Very high	90.1	Very high	77 Å²	77	71.8 Å²	71.8	47%	0.472	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.2	166.8	-58.2	0	0	0	0	109	H88 K110	H88-T108 PolarHBondContact CE1-OG1 3.09Å; H88-T108 VanDerWaalsContact CE1-OG1 3.23Å; H88-T108 PolarHBondContact ND1-OG1 2.97Å; T108-K110 HydrophobicContact CG2-CG 4.4Å
109	W	96.2	Very high	90.7	Very high	9 Å²	9	74.6 Å²	74.6	3%	0.034	38%	0.383	C	S	.	.			trans	-136.7	64.6	179.8	-178	6.6	0	0	0	109.6	D87 N129 I131 A144 T153 R155 Y157	D87-W109 CarbonylContact O-C 3.5Å; D87-W109 PolarHBondContact O-N 2.92Å; W109-N129 PolarHBondContact NE1-ND2 2.91Å; W109-N129 WeakPolarHBondContact O-CB 3.45Å; W109-N129 PolarHBondContact O-ND2 3Å; W109-I131 HydrophobicContact CD2-CD1 4.25Å; W109-I131 HydrophobicContact CE3-CD1 3.58Å; W109-I131 HydrophobicContact CZ3-CD1 4.03Å; W109-A144 HydrophobicContact CZ3-CB 4.38Å; W109-T153 HydrophobicContact CH2-CG2 4.43Å; W109-T153 WeakPolarHBondContact CH2-O 3.3Å; W109-T153 HydrophobicContact CZ2-CG2 3.85Å; W109-R155 HydrophobicContact CH2-CB 4.2Å; W109-R155 HydrophobicContact CH2-CG 3.89Å; W109-R155 HydrophobicContact CZ2-CG 3.98Å; W109-R155 HydrophobicContact CZ3-CB 4.36Å; W109-R155 HydrophobicContact CZ3-CG 4.4Å; W109-R155 VanDerWaalsContact NE1-CZ 3.33Å; W109-Y157 HydrophobicContact CE3-CE2 4.12Å; W109-Y157 HydrophobicContact CZ3-CE2 4.19Å
110	K	94.7	Very high	90.9	Very high	79 Å²	79	72 Å²	72	34%	0.343	37%	0.367	S	S	.	.			trans	-65.5	145.4	167.7	-71.7	-168	174.7	-169.4	0	110.3	D61 D63 D87 T108	D61-K110 IonicContact OD1-NZ 3.71Å; D61-K110 PolarHBondContact OD1-NZ 3Å; D61-K110 WeakPolarHBondContact OD2-CE 3.44Å; D61-K110 IonicContact OD2-NZ 3.97Å; D61-K110 PolarHBondContact OD2-NZ 3.46Å; D63-K110 IonicContact OD2-NZ 3.93Å; D63-K110 PolarHBondContact OD2-NZ 3.32Å; D87-K110 HydrophobicContact CB-CG 3.58Å; T108-K110 HydrophobicContact CG2-CG 4.4Å
111	T	92.8	Very high	90.9	Very high	18 Å²	18	69.7 Å²	69.7	11%	0.11	38%	0.375	C	S	.	.			trans	-75.1	156.4	177.5	-173.7	0	0	0	0	112.6	D113 V114 C127 N148 A149	T111-D113 PolarHBondContact OG1-N 3.01Å; T111-D113 VanDerWaalsContact OG1-N 3.13Å; T111-V114 HydrophobicContact CG2-CG2 3.61Å; T111-C127 WeakPolarHBondContact CG2-O 3.49Å; T111-N148 WeakPolarHBondContact CB-OD1 3.43Å; T111-N148 PolarHBondContact OG1-OD1 3.27Å; T111-A149 HydrophobicContact CG2-CB 3.75Å
112	K	89	Confident	90.6	Very high	206 Å²	206	71.9 Å²	71.9	90%	0.896	38%	0.384	S	S	*	.	S	Bend	trans	-101.7	-12.1	169.7	-61.5	178.1	-176.5	174	0	112.7	V114	K112-V114 PolarHBondContact O-N 3.09Å
113	D	85.1	Confident	90.4	Very high	40 Å²	40	72.3 Å²	72.3	21%	0.214	39%	0.388	C	S	.	.			trans	-93.7	13.6	-167.7	-93.3	-1.9	0	0	0	113.9	T111 A115 K116 C117 A149 N151	T111-D113 PolarHBondContact OG1-N 3.01Å; T111-D113 VanDerWaalsContact OG1-N 3.13Å; D113-A115 VanDerWaalsContact C-N 3.33Å; D113-A115 PolarHBondContact O-N 2.8Å; D113-K116 HydrophobicContact CB-CB 4.42Å; D113-K116 HydrophobicContact CB-CD 4.5Å; D113-K116 CarbonylContact O-C 3.59Å; D113-K116 WeakPolarHBondContact O-CA 3.48Å; D113-K116 WeakPolarHBondContact O-CB 3.33Å; D113-K116 PolarHBondContact O-N 3.38Å; D113-K116 IonicContact OD1-NZ 3.76Å; D113-K116 IonicContact OD2-NZ 3.36Å; D113-K116 PolarHBondContact OD2-NZ 3.33Å; D113-C117 PolarHBondContact O-N 3.27Å; D113-A149 HydrophobicContact CB-CB 4.36Å; D113-N151 PolarHBondContact OD2-ND2 2.88Å
114	V	87.8	Confident	89.9	Confident	62 Å²	62	73.5 Å²	73.5	38%	0.376	40%	0.397	S	S	.	.	H	α-helix	trans	-49.5	-48.8	-174.7	-173.8	0	0	0	0	112.5	T111 K112 K116 C117 T118 C127	T111-V114 HydrophobicContact CG2-CG2 3.61Å; K112-V114 PolarHBondContact O-N 3.09Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 3.4Å; V114-C117 WeakPolarHBondContact O-CB 3.43Å; V114-C117 PolarHBondContact O-N 3.37Å; V114-T118 PolarHBondContact O-N 2.03Å; V114-T118 PolarHBondContact O-OG1 3.31Å; V114-C127 HydrophobicContact CG1-CB 4Å
115	A	86.8	Confident	89.4	Confident	71 Å²	71	70.6 Å²	70.6	59%	0.587	39%	0.385	S	S	*	.	H	α-helix	trans	-66.5	-31.3	179.6	0	0	0	0	0	113.4	D113 C117 T118 V119	D113-A115 VanDerWaalsContact C-N 3.33Å; D113-A115 PolarHBondContact O-N 2.8Å; A115-C117 VanDerWaalsContact C-N 3.33Å; A115-T118 PolarHBondContact O-OG1 3.24Å; A115-V119 WeakPolarHBondContact O-CG1 3.45Å; A115-V119 WeakPolarHBondContact O-CG2 3.01Å; A115-V119 PolarHBondContact O-N 3.06Å
116	K	88.7	Confident	88.9	Confident	88 Å²	88	71.1 Å²	71.1	38%	0.383	39%	0.388	S	S	.	.	H	α-helix	trans	-75.3	-24.7	176.5	175.7	177.7	156.8	-154	0	111.9	D113 V114 R120 N151	D113-K116 HydrophobicContact CB-CB 4.42Å; D113-K116 HydrophobicContact CB-CD 4.5Å; D113-K116 CarbonylContact O-C 3.59Å; D113-K116 WeakPolarHBondContact O-CA 3.48Å; D113-K116 WeakPolarHBondContact O-CB 3.33Å; D113-K116 PolarHBondContact O-N 3.38Å; D113-K116 IonicContact OD1-NZ 3.76Å; D113-K116 IonicContact OD2-NZ 3.36Å; D113-K116 PolarHBondContact OD2-NZ 3.33Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 3.4Å; K116-R120 WeakPolarHBondContact O-CD 3.36Å; K116-R120 WeakPolarHBondContact O-CG 3.42Å; K116-N151 PolarHBondContact NZ-ND2 3.5Å
117	C	89.8	Confident	88.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.007	36%	0.364	C	S	.	.	H	α-helix	trans	-76.4	-45.6	170.5	171.6	0	0	0	0	112.2	D113 V114 A115 V119 R120 C127 A149 F150	D113-C117 PolarHBondContact O-N 3.27Å; V114-C117 WeakPolarHBondContact O-CB 3.43Å; V114-C117 PolarHBondContact O-N 3.37Å; A115-C117 VanDerWaalsContact C-N 3.33Å; C117-V119 PolarHBondContact O-N 2.78Å; C117-R120 WeakPolarHBondContact O-CB 3.29Å; C117-R120 PolarHBondContact O-N 3.25Å; C117-C127 HydrophobicContact CB-CB 3.66Å; C117-C127 WeakPolarHBondContact CB-SG 3.33Å; C117-C127 VanDerWaalsContact SG-CA 3.51Å; C117-C127 WeakPolarHBondContact SG-CB 3.49Å; C117-C127 CovalentContact SG-SG 2.04Å; C117-C127 PolarHBondContact SG-SG 3.23Å; C117-A149 HydrophobicContact CB-CB 3.77Å; C117-A149 WeakPolarHBondContact CB-O 3.28Å; C117-F150 VanDerWaalsContact SG-CD2 3.57Å
118	T	90.1	Very high	88.8	Confident	56 Å²	56	66.4 Å²	66.4	34%	0.344	37%	0.366	S	S	.	.	H	α-helix	trans	-67.3	-37.2	-179.1	55.2	0	0	0	0	113.2	V114 A115 R120 G121	V114-T118 PolarHBondContact O-N 2.03Å; V114-T118 PolarHBondContact O-OG1 3.31Å; A115-T118 PolarHBondContact O-OG1 3.24Å; T118-R120 PolarHBondContact O-N 3.27Å; T118-R120 VanDerWaalsContact O-N 3.14Å; T118-G121 PolarHBondContact O-N 3.45Å
119	V	88.8	Confident	88.8	Confident	126 Å²	126	62.8 Å²	62.8	76%	0.764	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.8	173	-60.2	0	0	0	0	114.1	A115 C117 G121	A115-V119 WeakPolarHBondContact O-CG1 3.45Å; A115-V119 WeakPolarHBondContact O-CG2 3.01Å; A115-V119 PolarHBondContact O-N 3.06Å; C117-V119 PolarHBondContact O-N 2.78Å; V119-G121 VanDerWaalsContact C-N 3.31Å
120	R	85.4	Confident	88.9	Confident	120 Å²	120	62.8 Å²	62.8	45%	0.453	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	8.5	169.8	-68.8	172.5	168.6	-172.7	-5.8	113.1	K116 C117 T118 F200	K116-R120 WeakPolarHBondContact O-CD 3.36Å; K116-R120 WeakPolarHBondContact O-CG 3.42Å; C117-R120 WeakPolarHBondContact O-CB 3.29Å; C117-R120 PolarHBondContact O-N 3.25Å; T118-R120 PolarHBondContact O-N 3.27Å; T118-R120 VanDerWaalsContact O-N 3.14Å; R120-F200 HydrophobicContact CB-CZ 4.2Å
121	G	84.5	Confident	89	Confident	72 Å²	72	59 Å²	59	74%	0.742	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	19.2	176.4	0	0	0	0	0	115	T118 V119	T118-G121 PolarHBondContact O-N 3.45Å; V119-G121 VanDerWaalsContact C-N 3.31Å
122	K	87.1	Confident	89.3	Confident	52 Å²	52	59.5 Å²	59.5	23%	0.226	33%	0.328	C	S	.	.			trans	-94.6	151.6	171.3	-72.1	-71.9	178.4	172.9	0	111.2	E126 F150 E178 F200	K122-E126 VanDerWaalsContact CD-OE2 3.3Å; K122-E126 WeakPolarHBondContact CD-OE2 3.34Å; K122-F150 HydrophobicContact CB-CE2 4.25Å; K122-F150 HydrophobicContact CD-CD1 4.49Å; K122-F150 HydrophobicContact CD-CE1 3.8Å; K122-F150 HydrophobicContact CD-CE2 3.88Å; K122-F150 HydrophobicContact CD-CZ 3.46Å; K122-F150 VanDerWaalsContact CD-CZ 3.46Å; K122-F150 HydrophobicContact CG-CD1 4.43Å; K122-F150 HydrophobicContact CG-CD2 4.13Å; K122-F150 HydrophobicContact CG-CE1 4.21Å; K122-F150 HydrophobicContact CG-CE2 3.88Å; K122-F150 HydrophobicContact CG-CG 4.41Å; K122-F150 HydrophobicContact CG-CZ 3.93Å; K122-E178 IonicContact NZ-OE2 3.4Å; K122-E178 PolarHBondContact NZ-OE2 3.41Å; K122-F200 HydrophobicContact CG-CZ 4.2Å
123	N	85.4	Confident	89.7	Confident	104 Å²	104	49.9 Å²	49.9	56%	0.556	29%	0.286	S	S	*	.			trans	-72.2	147.1	-179.5	-63.7	-59	0	0	0	110.5	D125 E126 C127	N123-D125 PolarHBondContact O-N 3.19Å; N123-D125 VanDerWaalsContact O-N 3.17Å; N123-E126 HydrophobicContact CB-CG 4.01Å; N123-E126 PolarHBondContact N-OE2 2.94Å; N123-E126 PolarHBondContact ND2-OE1 3.03Å; N123-E126 WeakPolarHBondContact O-CB 3.45Å; N123-E126 PolarHBondContact O-N 3.04Å; N123-C127 PolarHBondContact O-N 3.18Å; N123-C127 PolarHBondContact O-SG 3.23Å
124	S	82.9	Confident	90.3	Very high	70 Å²	70	48.2 Å²	48.2	49%	0.49	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-54.5	-37.9	176.8	54.4	0	0	0	0	112.2	E126 C127	S124-E126 PolarHBondContact O-N 2.78Å; S124-C127 PolarHBondContact O-N 2.97Å; S124-C127 VanDerWaalsContact O-N 3.13Å
125	D	80.9	Confident	90.7	Very high	53 Å²	53	46 Å²	46	28%	0.283	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-76.1	-1.7	-179.4	-69.7	-5.3	0	0	0	114.2	R66 N123 Y130	R66-D125 IonicContact CZ-OD1 3.19Å; R66-D125 IonicContact CZ-OD2 3.49Å; R66-D125 IonicContact NH1-OD1 3.59Å; R66-D125 PolarHBondContact NH1-OD1 3.29Å; R66-D125 IonicContact NH1-OD2 2.89Å; R66-D125 PolarHBondContact NH1-OD2 3.08Å; R66-D125 IonicContact NH2-OD1 2.68Å; R66-D125 PolarHBondContact NH2-OD1 3.18Å; R66-D125 IonicContact NH2-OD2 2.86Å; N123-D125 PolarHBondContact O-N 3.19Å; N123-D125 VanDerWaalsContact O-N 3.17Å; D125-Y130 PolarHBondContact O-OH 2.74Å
126	E	84.4	Confident	91.2	Very high	62 Å²	62	45.3 Å²	45.3	29%	0.29	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-102.7	-17.8	170	-63.2	162.6	-177.8	0	0	111.9	K122 N123 S124 Y128 F150	K122-E126 VanDerWaalsContact CD-OE2 3.3Å; K122-E126 WeakPolarHBondContact CD-OE2 3.34Å; N123-E126 HydrophobicContact CB-CG 4.01Å; N123-E126 PolarHBondContact N-OE2 2.94Å; N123-E126 PolarHBondContact ND2-OE1 3.03Å; N123-E126 WeakPolarHBondContact O-CB 3.45Å; N123-E126 PolarHBondContact O-N 3.04Å; S124-E126 PolarHBondContact O-N 2.78Å; E126-Y128 PolarHBondContact O-N 3.31Å; E126-F150 HydrophobicContact CB-CE2 4.15Å
127	C	93.3	Very high	91.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	25%	0.251	C	S	.	.			trans	-84.6	40.4	-170.9	-67.6	0	0	0	0	113.8	T111 V114 C117 N123 S124 A149	T111-C127 WeakPolarHBondContact CG2-O 3.49Å; V114-C127 HydrophobicContact CG1-CB 4Å; C117-C127 HydrophobicContact CB-CB 3.66Å; C117-C127 WeakPolarHBondContact CB-SG 3.33Å; C117-C127 VanDerWaalsContact SG-CA 3.51Å; C117-C127 WeakPolarHBondContact SG-CB 3.49Å; C117-C127 CovalentContact SG-SG 2.04Å; C117-C127 PolarHBondContact SG-SG 3.23Å; N123-C127 PolarHBondContact O-N 3.18Å; N123-C127 PolarHBondContact O-SG 3.23Å; S124-C127 PolarHBondContact O-N 2.97Å; S124-C127 VanDerWaalsContact O-N 3.13Å; C127-A149 HydrophobicContact CB-CB 4.27Å; C127-A149 WeakPolarHBondContact O-CB 3.36Å
128	Y	94.9	Very high	91.6	Very high	28 Å²	28	48.9 Å²	48.9	11%	0.11	27%	0.27	C	S	.	.	S	Bend	trans	-101.8	176.5	176.2	-68.5	-85.4	0	0	0	112.3	D63 R66 L67 R86 D87 E126 T147 A149	D63-Y128 PolarHBondContact OD1-OH 3.35Å; R66-Y128 PolarHBondContact NH2-OH 2.88Å; R66-Y128 VanDerWaalsContact NH2-OH 3.08Å; L67-Y128 HydrophobicContact CD1-CD2 4.42Å; L67-Y128 HydrophobicContact CD1-CE1 4.49Å; L67-Y128 HydrophobicContact CD1-CE2 3.51Å; L67-Y128 WeakPolarHBondContact CD1-OH 3.33Å; R86-Y128 HydrophobicContact CG-CD1 4.35Å; R86-Y128 HydrophobicContact CG-CG 4.08Å; D87-Y128 VanDerWaalsContact OD2-CD1 3.23Å; D87-Y128 WeakPolarHBondContact OD2-CD1 3.29Å; E126-Y128 PolarHBondContact O-N 3.31Å; Y128-T147 PolarHBondContact O-OG1 2.77Å; Y128-A149 PolarHBondContact O-N 2.86Å
129	N	96.8	Very high	91.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.			trans	-100.7	93.2	174.2	-174.3	27.1	0	0	0	111.7	D87 W109 I131 G146 T147 N148	D87-N129 WeakPolarHBondContact CA-O 3.47Å; D87-N129 PolarHBondContact N-O 3.11Å; D87-N129 PolarHBondContact OD1-N 2.89Å; W109-N129 PolarHBondContact NE1-ND2 2.91Å; W109-N129 WeakPolarHBondContact O-CB 3.45Å; W109-N129 PolarHBondContact O-ND2 3Å; N129-I131 WeakPolarHBondContact ND2-CD1 3.47Å; N129-G146 VanDerWaalsContact OD1-C 3.22Å; N129-G146 VanDerWaalsContact OD1-CA 3.26Å; N129-G146 WeakPolarHBondContact OD1-CA 3.4Å; N129-T147 PolarHBondContact OD1-N 2.83Å; N129-N148 VanDerWaalsContact OD1-CA 3.32Å; N129-N148 WeakPolarHBondContact OD1-CA 3.01Å; N129-N148 PolarHBondContact OD1-N 3.08Å
130	Y	97.3	Very high	91.9	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.039	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-81.9	121.3	175.9	-58.5	-90	0	0	0	109.4	D70 R86 D125 K132 G146 T147 S179	D70-Y130 HydrophobicContact CB-CD1 4.18Å; D70-Y130 HydrophobicContact CB-CE1 3.75Å; R86-Y130 HydrophobicContact CB-CD1 3.71Å; R86-Y130 HydrophobicContact CB-CE1 3.71Å; R86-Y130 HydrophobicContact CG-CD1 4.06Å; R86-Y130 HydrophobicContact CG-CE1 3.78Å; D125-Y130 PolarHBondContact O-OH 2.74Å; Y130-K132 PolarHBondContact O-N 2.63Å; Y130-G146 CarbonylContact O-C 3.42Å; Y130-G146 WeakPolarHBondContact O-CA 3.21Å; Y130-T147 WeakPolarHBondContact CD2-OG1 3.31Å; Y130-T147 PolarHBondContact N-OG1 3.19Å; Y130-T147 PolarHBondContact O-N 2.77Å; Y130-S179 VanDerWaalsContact CG-CB 3.47Å
131	I	98.2	Very high	92.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	101.9	-178.5	-53	-55.7	0	0	0	109.3	Q72 A84 A85 V89 W109 N129 A144 C145	Q72-I131 WeakPolarHBondContact CB-O 3.49Å; A84-I131 HydrophobicContact CB-CB 4.15Å; A84-I131 HydrophobicContact CB-CG2 4.02Å; A85-I131 PolarHBondContact O-N 3.09Å; V89-I131 HydrophobicContact CG2-CB 4.39Å; V89-I131 HydrophobicContact CG2-CG1 4.2Å; V89-I131 HydrophobicContact CG2-CG2 3.93Å; W109-I131 HydrophobicContact CD2-CD1 4.25Å; W109-I131 HydrophobicContact CE3-CD1 3.58Å; W109-I131 HydrophobicContact CZ3-CD1 4.03Å; N129-I131 WeakPolarHBondContact ND2-CD1 3.47Å; I131-A144 HydrophobicContact CG2-CB 4.5Å; I131-C145 CarbonylContact C-O 3.56Å
132	K	97.5	Very high	93	Very high	28 Å²	28	46.5 Å²	46.5	12%	0.122	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-23.8	-171.1	-66.5	-59.8	-56.9	-170.6	0	114	Q72 Y130 C145 T147 P176 S179 N183	Q72-K132 HydrophobicContact CB-CD 4.44Å; Q72-K132 HydrophobicContact CG-CD 4.2Å; Y130-K132 PolarHBondContact O-N 2.63Å; K132-C145 PolarHBondContact N-O 2.78Å; K132-T147 HydrophobicContact CG-CG2 3.85Å; K132-P176 HydrophobicContact CB-CG 4.06Å; K132-P176 HydrophobicContact CG-CG 3.87Å; K132-S179 PolarHBondContact NZ-O 3.18Å; K132-N183 WeakPolarHBondContact CE-OD1 3.4Å; K132-N183 PolarHBondContact O-ND2 2.91Å
133	V	98.1	Very high	93.6	Very high	4 Å²	4	44 Å²	44	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131	171.4	-179.7	0	0	0	0	107.9	V135 F143 A144 C145 R174 F192	V133-V135 HydrophobicContact CG1-CG1 4.49Å; V133-V135 HydrophobicContact CG1-CG2 4.26Å; V133-F143 HydrophobicContact CG1-CD1 4.42Å; V133-A144 CarbonylContact O-C 3.45Å; V133-A144 VanDerWaalsContact O-CA 3.26Å; V133-A144 WeakPolarHBondContact O-CA 3.22Å; V133-C145 HydrophobicContact CB-CB 3.84Å; V133-C145 HydrophobicContact CG2-CB 4.1Å; V133-C145 PolarHBondContact N-O 2.03Å; V133-C145 PolarHBondContact O-N 2.91Å; V133-R174 WeakPolarHBondContact CG2-O 3.41Å; V133-F192 HydrophobicContact CG1-CE2 4.3Å; V133-F192 HydrophobicContact CG1-CZ 4.09Å
134	L	97.9	Very high	94.2	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	116	165.3	-177.2	66.5	0	0	0	107.1	L75 A84 V89 L142 F143 A144	L75-L134 HydrophobicContact CB-CD2 4.48Å; L75-L134 HydrophobicContact CD2-CD2 4.41Å; L75-L134 HydrophobicContact CD2-CG 3.99Å; A84-L134 HydrophobicContact CB-CB 4.41Å; A84-L134 HydrophobicContact CB-CD2 4.23Å; V89-L134 HydrophobicContact CG1-CD2 3.67Å; V89-L134 HydrophobicContact CG2-CD2 4.43Å; L134-L142 HydrophobicContact CD1-CB 4.35Å; L134-L142 HydrophobicContact CD1-CD1 4.42Å; L134-L142 HydrophobicContact CD1-CD2 4.43Å; L134-F143 WeakPolarHBondContact CA-O 3.42Å; L134-A144 HydrophobicContact CD1-CB 3.91Å
135	V	97.1	Very high	94.9	Very high	16 Å²	16	35.7 Å²	35.7	10%	0.097	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.4	-178.1	-66.8	0	0	0	0	110.6	V133 L142 F143 G185 F187 F192	V133-V135 HydrophobicContact CG1-CG1 4.49Å; V133-V135 HydrophobicContact CG1-CG2 4.26Å; V135-L142 WeakPolarHBondContact O-CA 3.04Å; V135-F143 HydrophobicContact CG2-CB 4.16Å; V135-F143 HydrophobicContact CG2-CD1 4.27Å; V135-F143 PolarHBondContact N-O 3.33Å; V135-F143 PolarHBondContact O-N 3.04Å; V135-G185 WeakPolarHBondContact CG1-O 3.32Å; V135-F187 HydrophobicContact CG2-CD2 4.02Å; V135-F187 HydrophobicContact CG2-CE2 4.27Å; V135-F192 HydrophobicContact CG2-CE2 4.23Å
136	P	96.4	Very high	95.7	Very high	57 Å²	57	33.2 Å²	33.2	37%	0.37	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	139.2	163.4	29.5	-34.6	0	0	0	110.2	I77 F187	I77-P136 HydrophobicContact CD1-CB 4.4Å; P136-F187 WeakPolarHBondContact O-CD2 3.1Å
137	R	94.4	Very high	96.3	Very high	89 Å²	89	30.3 Å²	30.3	34%	0.336	15%	0.151	S	C	.	.	S	Bend	trans	-93.4	-38.4	165.4	-179.3	-179	179.5	92.1	19	110.7	T141 F143 N156 F187	R137-T141 HydrophobicContact CB-CG2 4.4Å; R137-T141 WeakPolarHBondContact CB-O 3.36Å; R137-T141 PolarHBondContact N-O 3.26Å; R137-F143 HydrophobicContact CB-CB 4.25Å; R137-N156 WeakPolarHBondContact CD-OD1 3.3Å; R137-F187 HydrophobicContact CB-CD2 4.27Å; R137-F187 HydrophobicContact CB-CE2 4.01Å; R137-F187 HydrophobicContact CB-CZ 4.32Å; R137-F187 HydrophobicContact CG-CD1 4.46Å; R137-F187 HydrophobicContact CG-CD2 4.43Å; R137-F187 HydrophobicContact CG-CE1 4.05Å; R137-F187 HydrophobicContact CG-CE2 4.04Å; R137-F187 HydrophobicContact CG-CZ 3.84Å
138	N	92	Very high	96.5	Very high	75 Å²	75	31 Å²	31	40%	0.401	15%	0.154	S	C	.	.	S	Bend	trans	-157	-170.5	175	61.2	38.3	0	0	0	107.4	E140 T141	N138-E140 VanDerWaalsContact C-N 3.27Å; N138-E140 PolarHBondContact O-N 3.31Å; N138-E140 PolarHBondContact OD1-N 3.23Å; N138-T141 PolarHBondContact N-O 3.42Å; N138-T141 PolarHBondContact ND2-OG1 3.03Å; N138-T141 WeakPolarHBondContact OD1-CA 3.31Å; N138-T141 WeakPolarHBondContact OD1-CB 3.29Å; N138-T141 PolarHBondContact OD1-N 3.34Å; N138-T141 PolarHBondContact OD1-OG1 2.66Å
139	D	92.4	Very high	96.5	Very high	159 Å²	159	29.8 Å²	29.8	85%	0.85	15%	0.15	S	C	*	.	S	Bend	trans	-69.1	-18.9	-175.7	-54.6	-43.4	0	0	0	114.7
140	E	94	Very high	96.3	Very high	154 Å²	154	30.1 Å²	30.1	72%	0.72	15%	0.152	S	C	*	.	S	Bend	trans	-111.3	-18.6	-176.9	-62	-171.7	178.5	0	0	113.6	N138 M159	N138-E140 VanDerWaalsContact C-N 3.27Å; N138-E140 PolarHBondContact O-N 3.31Å; N138-E140 PolarHBondContact OD1-N 3.23Å; E140-M159 VanDerWaalsContact O-CB 3.28Å; E140-M159 WeakPolarHBondContact O-CB 3.46Å; E140-M159 PolarHBondContact O-N 3.01Å
141	T	95.8	Very high	96.2	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.055	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.8	-166.4	-46	0	0	0	0	111.7	R137 N138 N156 Y157 E165	R137-T141 HydrophobicContact CB-CG2 4.4Å; R137-T141 WeakPolarHBondContact CB-O 3.36Å; R137-T141 PolarHBondContact N-O 3.26Å; N138-T141 PolarHBondContact N-O 3.42Å; N138-T141 PolarHBondContact ND2-OG1 3.03Å; N138-T141 WeakPolarHBondContact OD1-CA 3.31Å; N138-T141 WeakPolarHBondContact OD1-CB 3.29Å; N138-T141 PolarHBondContact OD1-N 3.34Å; N138-T141 PolarHBondContact OD1-OG1 2.66Å; T141-N156 HydrophobicContact CG2-CB 3.7Å; T141-Y157 CarbonylContact C-O 3.52Å; T141-Y157 WeakPolarHBondContact CA-O 3.4Å; T141-E165 PolarHBondContact OG1-OE2 2.82Å
142	L	97.2	Very high	96.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	142	165.7	-70.4	167.5	0	0	0	110.4	L75 I77 Y82 L134 V135 N156 Y157 M159 L162	L75-L142 HydrophobicContact CD2-CD2 4.06Å; I77-L142 HydrophobicContact CD1-CD2 3.75Å; Y82-L142 HydrophobicContact CD1-CD1 4.04Å; Y82-L142 HydrophobicContact CE1-CD1 3.78Å; L134-L142 HydrophobicContact CD1-CB 4.35Å; L134-L142 HydrophobicContact CD1-CD1 4.42Å; L134-L142 HydrophobicContact CD1-CD2 4.43Å; V135-L142 WeakPolarHBondContact O-CA 3.04Å; L142-N156 CarbonylContact O-C 3.57Å; L142-N156 WeakPolarHBondContact O-CA 3.25Å; L142-Y157 PolarHBondContact N-O 3Å; L142-Y157 PolarHBondContact O-N 3.22Å; L142-M159 HydrophobicContact CD1-CB 4.44Å; L142-M159 HydrophobicContact CD1-CG 4.15Å; L142-M159 HydrophobicContact CD2-CE 4.11Å; L142-M159 HydrophobicContact CG-CB 4.22Å; L142-M159 HydrophobicContact CG-CE 4.22Å; L142-M159 HydrophobicContact CG-CG 4.09Å; L142-L162 HydrophobicContact CD1-CD2 4Å
143	F	97.9	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.9	166.5	-177.7	-114.1	0	0	0	109.3	V133 L134 V135 R137 C145 C154 N156 F187 F192 L211	V133-F143 HydrophobicContact CG1-CD1 4.42Å; L134-F143 WeakPolarHBondContact CA-O 3.42Å; V135-F143 HydrophobicContact CG2-CB 4.16Å; V135-F143 HydrophobicContact CG2-CD1 4.27Å; V135-F143 PolarHBondContact N-O 3.33Å; V135-F143 PolarHBondContact O-N 3.04Å; R137-F143 HydrophobicContact CB-CB 4.25Å; F143-C145 WeakPolarHBondContact CE1-SG 3.42Å; F143-C154 HydrophobicContact CE1-CB 4.38Å; F143-C154 HydrophobicContact CE2-CB 3.66Å; F143-C154 HydrophobicContact CZ-CB 3.47Å; F143-C154 VanDerWaalsContact CZ-CB 3.47Å; F143-N156 WeakPolarHBondContact CD2-OD1 3.29Å; F143-F187 HydrophobicContact CB-CE2 3.66Å; F143-F187 HydrophobicContact CB-CZ 4.38Å; F143-F187 AromaticContact CD1-CE2 3.71Å; F143-F187 HydrophobicContact CD1-CE2 3.71Å; F143-F187 HydrophobicContact CD1-CZ 4.24Å; F143-F187 HydrophobicContact CE1-CE2 4.47Å; F143-F187 AromaticContact CG-CE2 3.76Å; F143-F187 HydrophobicContact CG-CE2 3.76Å; F143-F187 HydrophobicContact CG-CZ 4.19Å; F143-F192 HydrophobicContact CD1-CD2 4.01Å; F143-F192 AromaticContact CD1-CE2 3.79Å; F143-F192 HydrophobicContact CD1-CE2 3.79Å; F143-F192 HydrophobicContact CD1-CZ 4.19Å; F143-F192 HydrophobicContact CE1-CD1 4.11Å; F143-F192 AromaticContact CE1-CD2 3.94Å; F143-F192 HydrophobicContact CE1-CD2 3.94Å; F143-F192 AromaticContact CE1-CE1 3.91Å; F143-F192 HydrophobicContact CE1-CE1 3.91Å; F143-F192 AromaticContact CE1-CE2 3.74Å; F143-F192 HydrophobicContact CE1-CE2 3.74Å; F143-F192 HydrophobicContact CE1-CG 4.12Å; F143-F192 AromaticContact CE1-CZ 3.73Å; F143-F192 HydrophobicContact CE1-CZ 3.73Å; F143-L211 HydrophobicContact CE1-CD1 4.14Å; F143-L211 HydrophobicContact CE2-CD1 3.83Å; F143-L211 HydrophobicContact CZ-CD1 3.46Å; F143-L211 VanDerWaalsContact CZ-CD1 3.46Å
144	A	98.3	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.8	-178.3	0	0	0	0	0	111	W109 I131 V133 L134 C154 R155 Y157	W109-A144 HydrophobicContact CZ3-CB 4.38Å; I131-A144 HydrophobicContact CG2-CB 4.5Å; V133-A144 CarbonylContact O-C 3.45Å; V133-A144 VanDerWaalsContact O-CA 3.26Å; V133-A144 WeakPolarHBondContact O-CA 3.22Å; L134-A144 HydrophobicContact CD1-CB 3.91Å; A144-C154 CarbonylContact O-C 3.58Å; A144-C154 VanDerWaalsContact O-CA 3.28Å; A144-C154 WeakPolarHBondContact O-CA 3.3Å; A144-R155 PolarHBondContact N-O 3.15Å; A144-R155 PolarHBondContact O-N 3.2Å; A144-Y157 HydrophobicContact CB-CD2 3.93Å; A144-Y157 HydrophobicContact CB-CE2 4.05Å
145	C	98.4	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.8	171	-46.5	0	0	0	0	111	I131 K132 V133 F143 T153 C154 C175	I131-C145 CarbonylContact C-O 3.56Å; K132-C145 PolarHBondContact N-O 2.78Å; V133-C145 HydrophobicContact CB-CB 3.84Å; V133-C145 HydrophobicContact CG2-CB 4.1Å; V133-C145 PolarHBondContact N-O 2.03Å; V133-C145 PolarHBondContact O-N 2.91Å; F143-C145 WeakPolarHBondContact CE1-SG 3.42Å; C145-T153 CarbonylContact C-O 3.53Å; C145-T153 VanDerWaalsContact CA-O 3.23Å; C145-T153 WeakPolarHBondContact CA-O 2.98Å; C145-T153 WeakPolarHBondContact CB-O 3.35Å; C145-C154 HydrophobicContact CB-CB 3.97Å; C145-C154 WeakPolarHBondContact CB-SG 3.42Å; C145-C154 WeakPolarHBondContact SG-CB 3.04Å; C145-C154 CovalentContact SG-SG 2.04Å; C145-C154 PolarHBondContact SG-SG 2.99Å; C145-C175 HydrophobicContact CB-CB 3.53Å
146	G	97.9	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.6	175.8	0	0	0	0	0	113.7	N129 Y130 N148 P152 T153	N129-G146 VanDerWaalsContact OD1-C 3.22Å; N129-G146 VanDerWaalsContact OD1-CA 3.26Å; N129-G146 WeakPolarHBondContact OD1-CA 3.4Å; Y130-G146 CarbonylContact O-C 3.42Å; Y130-G146 WeakPolarHBondContact O-CA 3.21Å; G146-N148 PolarHBondContact O-N 3.46Å; G146-P152 WeakPolarHBondContact O-CA 3.06Å; G146-T153 PolarHBondContact N-O 3.47Å; G146-T153 PolarHBondContact O-N 2.73Å; G146-T153 VanDerWaalsContact O-N 3.12Å
147	T	96.6	Very high	96.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.155	C	C	.	.			trans	-61.7	-26.5	-177.5	59.1	0	0	0	0	113.1	Y128 N129 Y130 K132 A149 F150 N151	Y128-T147 PolarHBondContact O-OG1 2.77Å; N129-T147 PolarHBondContact OD1-N 2.83Å; Y130-T147 WeakPolarHBondContact CD2-OG1 3.31Å; Y130-T147 PolarHBondContact N-OG1 3.19Å; Y130-T147 PolarHBondContact O-N 2.77Å; K132-T147 HydrophobicContact CG-CG2 3.85Å; T147-A149 PolarHBondContact O-N 3.07Å; T147-F150 PolarHBondContact O-N 3.24Å; T147-N151 CarbonylContact O-C 3.6Å; T147-N151 PolarHBondContact O-N 3.35Å
148	N	96.8	Very high	96.4	Very high	15 Å²	15	31.2 Å²	31.2	8%	0.08	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.6	58.4	175.7	-179.7	43.4	0	0	0	112.9	T111 N129 G146 F150 N151 T153	T111-N148 WeakPolarHBondContact CB-OD1 3.43Å; T111-N148 PolarHBondContact OG1-OD1 3.27Å; N129-N148 VanDerWaalsContact OD1-CA 3.32Å; N129-N148 WeakPolarHBondContact OD1-CA 3.01Å; N129-N148 PolarHBondContact OD1-N 3.08Å; G146-N148 PolarHBondContact O-N 3.46Å; N148-F150 PolarHBondContact O-N 2.97Å; N148-N151 WeakPolarHBondContact CB-O 3.24Å; N148-N151 PolarHBondContact ND2-O 2.89Å; N148-N151 WeakPolarHBondContact O-CB 3.33Å; N148-N151 PolarHBondContact O-N 2.8Å; N148-N151 VanDerWaalsContact O-N 3.16Å; N148-T153 PolarHBondContact ND2-OG1 2.93Å; N148-T153 VanDerWaalsContact ND2-OG1 3.09Å
149	A	95.5	Very high	96.4	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.025	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	52.1	-176.8	0	0	0	0	0	114.1	T111 D113 C117 C127 Y128 T147 N151	T111-A149 HydrophobicContact CG2-CB 3.75Å; D113-A149 HydrophobicContact CB-CB 4.36Å; C117-A149 HydrophobicContact CB-CB 3.77Å; C117-A149 WeakPolarHBondContact CB-O 3.28Å; C127-A149 HydrophobicContact CB-CB 4.27Å; C127-A149 WeakPolarHBondContact O-CB 3.36Å; Y128-A149 PolarHBondContact O-N 2.86Å; T147-A149 PolarHBondContact O-N 3.07Å; A149-N151 PolarHBondContact O-N 3.09Å
150	F	93.8	Very high	96.4	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.031	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	33.6	-177.3	-60.5	-106.6	0	0	0	113.4	C117 K122 E126 T147 N148 F177 E178 F200	C117-F150 VanDerWaalsContact SG-CD2 3.57Å; K122-F150 HydrophobicContact CB-CE2 4.25Å; K122-F150 HydrophobicContact CD-CD1 4.49Å; K122-F150 HydrophobicContact CD-CE1 3.8Å; K122-F150 HydrophobicContact CD-CE2 3.88Å; K122-F150 HydrophobicContact CD-CZ 3.46Å; K122-F150 VanDerWaalsContact CD-CZ 3.46Å; K122-F150 HydrophobicContact CG-CD1 4.43Å; K122-F150 HydrophobicContact CG-CD2 4.13Å; K122-F150 HydrophobicContact CG-CE1 4.21Å; K122-F150 HydrophobicContact CG-CE2 3.88Å; K122-F150 HydrophobicContact CG-CG 4.41Å; K122-F150 HydrophobicContact CG-CZ 3.93Å; E126-F150 HydrophobicContact CB-CE2 4.15Å; T147-F150 PolarHBondContact O-N 3.24Å; N148-F150 PolarHBondContact O-N 2.97Å; F150-F177 HydrophobicContact CD1-CB 4.09Å; F150-F177 VanDerWaalsContact CD1-O 3.27Å; F150-F177 WeakPolarHBondContact CD1-O 3.32Å; F150-F177 WeakPolarHBondContact CG-O 3.44Å; F150-E178 HydrophobicContact CE1-CB 3.63Å; F150-E178 HydrophobicContact CE1-CG 3.84Å; F150-E178 WeakPolarHBondContact CE1-OE2 3.32Å; F150-E178 HydrophobicContact CZ-CB 4.07Å; F150-E178 HydrophobicContact CZ-CG 3.79Å; F150-F200 HydrophobicContact CB-CD2 3.9Å; F150-F200 HydrophobicContact CB-CE2 3.65Å; F150-F200 HydrophobicContact CD1-CD2 4.05Å; F150-F200 AromaticContact CD1-CE2 3.66Å; F150-F200 HydrophobicContact CD1-CE2 3.66Å; F150-F200 HydrophobicContact CG-CD2 4.39Å; F150-F200 AromaticContact CG-CE2 3.89Å; F150-F200 HydrophobicContact CG-CE2 3.89Å
151	N	94.7	Very high	96.5	Very high	57 Å²	57	20.9 Å²	20.9	31%	0.305	11%	0.114	S	C	.	.	S	Bend	trans	-137.5	71.2	171.5	-174.2	28.8	0	0	0	109.1	D113 K116 T147 N148 A149 T153	D113-N151 PolarHBondContact OD2-ND2 2.88Å; K116-N151 PolarHBondContact NZ-ND2 3.5Å; T147-N151 CarbonylContact O-C 3.6Å; T147-N151 PolarHBondContact O-N 3.35Å; N148-N151 WeakPolarHBondContact CB-O 3.24Å; N148-N151 PolarHBondContact ND2-O 2.89Å; N148-N151 WeakPolarHBondContact O-CB 3.33Å; N148-N151 PolarHBondContact O-N 2.8Å; N148-N151 VanDerWaalsContact O-N 3.16Å; A149-N151 PolarHBondContact O-N 3.09Å; N151-T153 PolarHBondContact O-N 2.8Å; N151-T153 PolarHBondContact O-OG1 3.04Å
152	P	96.6	Very high	96.5	Very high	7 Å²	7	20.9 Å²	20.9	5%	0.045	11%	0.114	C	C	.	.			trans	-59.4	135.7	-162.7	-27.2	37.2	0	0	0	113.4	G146 G171 C175 P176 F177	G146-P152 WeakPolarHBondContact O-CA 3.06Å; P152-G171 WeakPolarHBondContact O-CA 3.39Å; P152-G171 PolarHBondContact O-N 3.02Å; P152-C175 HydrophobicContact CB-CB 4.08Å; P152-P176 VanDerWaalsContact CG-O 3.27Å; P152-P176 WeakPolarHBondContact CG-O 3.48Å; P152-F177 VanDerWaalsContact CD-CD1 3.47Å; P152-F177 VanDerWaalsContact CD-CE1 3.44Å; P152-F177 HydrophobicContact CG-CB 4.37Å; P152-F177 HydrophobicContact CG-CD1 3.83Å; P152-F177 HydrophobicContact CG-CD2 4.06Å; P152-F177 HydrophobicContact CG-CE1 4.05Å; P152-F177 HydrophobicContact CG-CE2 4.25Å; P152-F177 HydrophobicContact CG-CG 3.83Å; P152-F177 HydrophobicContact CG-CZ 4.25Å
153	T	97.7	Very high	96.4	Very high	12 Å²	12	26.5 Å²	26.5	7%	0.074	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149	-176.6	-60.6	0	0	0	0	110	W109 C145 G146 N148 N151 E168	W109-T153 HydrophobicContact CH2-CG2 4.43Å; W109-T153 WeakPolarHBondContact CH2-O 3.3Å; W109-T153 HydrophobicContact CZ2-CG2 3.85Å; C145-T153 CarbonylContact C-O 3.53Å; C145-T153 VanDerWaalsContact CA-O 3.23Å; C145-T153 WeakPolarHBondContact CA-O 2.98Å; C145-T153 WeakPolarHBondContact CB-O 3.35Å; G146-T153 PolarHBondContact N-O 3.47Å; G146-T153 PolarHBondContact O-N 2.73Å; G146-T153 VanDerWaalsContact O-N 3.12Å; N148-T153 PolarHBondContact ND2-OG1 2.93Å; N148-T153 VanDerWaalsContact ND2-OG1 3.09Å; N151-T153 PolarHBondContact O-N 2.8Å; N151-T153 PolarHBondContact O-OG1 3.04Å; T153-E168 HydrophobicContact CG2-CB 3.99Å; T153-E168 HydrophobicContact CG2-CG 4.33Å
154	C	98.3	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.6	174.3	-62.7	0	0	0	0	111	F143 A144 C145 V169	F143-C154 HydrophobicContact CE1-CB 4.38Å; F143-C154 HydrophobicContact CE2-CB 3.66Å; F143-C154 HydrophobicContact CZ-CB 3.47Å; F143-C154 VanDerWaalsContact CZ-CB 3.47Å; A144-C154 CarbonylContact O-C 3.58Å; A144-C154 VanDerWaalsContact O-CA 3.28Å; A144-C154 WeakPolarHBondContact O-CA 3.3Å; C145-C154 HydrophobicContact CB-CB 3.97Å; C145-C154 WeakPolarHBondContact CB-SG 3.42Å; C145-C154 WeakPolarHBondContact SG-CB 3.04Å; C145-C154 CovalentContact SG-SG 2.04Å; C145-C154 PolarHBondContact SG-SG 2.99Å; C154-V169 HydrophobicContact CB-CB 4.21Å; C154-V169 PolarHBondContact N-O 2.9Å; C154-V169 PolarHBondContact O-N 2.97Å
155	R	97.8	Very high	96.2	Very high	40 Å²	40	33.5 Å²	33.5	15%	0.151	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.2	177.2	-71.3	172.6	177.7	-173.4	-1.9	109.6	W109 A144 Y157 Q164 E168	W109-R155 HydrophobicContact CH2-CB 4.2Å; W109-R155 HydrophobicContact CH2-CG 3.89Å; W109-R155 HydrophobicContact CZ2-CG 3.98Å; W109-R155 HydrophobicContact CZ3-CB 4.36Å; W109-R155 HydrophobicContact CZ3-CG 4.4Å; W109-R155 VanDerWaalsContact NE1-CZ 3.33Å; A144-R155 PolarHBondContact N-O 3.15Å; A144-R155 PolarHBondContact O-N 3.2Å; R155-Y157 HydrophobicContact CB-CD2 4.22Å; R155-Y157 HydrophobicContact CB-CE2 3.6Å; R155-Y157 WeakPolarHBondContact CD-OH 3.29Å; R155-Y157 PolarHBondContact NH1-OH 3.41Å; R155-Q164 VanDerWaalsContact CD-OE1 3.32Å; R155-Q164 VanDerWaalsContact CZ-OE1 3.23Å; R155-E168 HydrophobicContact CG-CG 4.1Å; R155-E168 IonicContact CZ-OE1 3.72Å; R155-E168 IonicContact NE-OE1 3.17Å; R155-E168 PolarHBondContact NE-OE1 3.34Å; R155-E168 IonicContact NH2-OE1 2.73Å; R155-E168 PolarHBondContact NH2-OE1 3.38Å
156	N	97.7	Very high	95.9	Very high	26 Å²	26	36 Å²	36	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	152.8	163.7	-40.1	-80	0	0	0	109.7	R137 T141 L142 F143 Q164 E165	R137-N156 WeakPolarHBondContact CD-OD1 3.3Å; T141-N156 HydrophobicContact CG2-CB 3.7Å; L142-N156 CarbonylContact O-C 3.57Å; L142-N156 WeakPolarHBondContact O-CA 3.25Å; F143-N156 WeakPolarHBondContact CD2-OD1 3.29Å; N156-Q164 WeakPolarHBondContact O-CA 3.12Å; N156-E165 HydrophobicContact CB-CB 4.27Å; N156-E165 WeakPolarHBondContact CB-O 3.49Å; N156-E165 PolarHBondContact ND2-O 3.13Å; N156-E165 PolarHBondContact O-N 2.95Å
157	Y	97.6	Very high	95.7	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.9	-179.4	-74.4	-78.6	0	0	0	110.5	L107 W109 T141 L142 A144 R155 M159 L162 E163 Q164	L107-Y157 HydrophobicContact CD1-CD1 4.06Å; L107-Y157 HydrophobicContact CD1-CE1 3.34Å; L107-Y157 HydrophobicContact CD2-CD1 4.15Å; L107-Y157 HydrophobicContact CD2-CD2 4.07Å; L107-Y157 HydrophobicContact CD2-CE1 3.76Å; L107-Y157 HydrophobicContact CD2-CE2 3.63Å; L107-Y157 HydrophobicContact CD2-CG 4.31Å; L107-Y157 VanDerWaalsContact CD2-CZ 3.46Å; L107-Y157 HydrophobicContact CG-CE1 4.21Å; W109-Y157 HydrophobicContact CE3-CE2 4.12Å; W109-Y157 HydrophobicContact CZ3-CE2 4.19Å; T141-Y157 CarbonylContact C-O 3.52Å; T141-Y157 WeakPolarHBondContact CA-O 3.4Å; L142-Y157 PolarHBondContact N-O 3Å; L142-Y157 PolarHBondContact O-N 3.22Å; A144-Y157 HydrophobicContact CB-CD2 3.93Å; A144-Y157 HydrophobicContact CB-CE2 4.05Å; R155-Y157 HydrophobicContact CB-CD2 4.22Å; R155-Y157 HydrophobicContact CB-CE2 3.6Å; R155-Y157 WeakPolarHBondContact CD-OH 3.29Å; R155-Y157 PolarHBondContact NH1-OH 3.41Å; Y157-M159 PolarHBondContact O-N 2.7Å; Y157-L162 VanDerWaalsContact CD1-O 3.28Å; Y157-L162 WeakPolarHBondContact CD1-O 3.45Å; Y157-E163 CarbonylContact C-O 3.56Å; Y157-E163 VanDerWaalsContact CA-O 3.28Å; Y157-E163 WeakPolarHBondContact CA-O 3.47Å; Y157-Q164 HydrophobicContact CD1-CB 4.17Å; Y157-Q164 HydrophobicContact CE1-CB 3.79Å
158	K	96.6	Very high	95.6	Very high	85 Å²	85	48 Å²	48	37%	0.37	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.9	174	-67.8	-173.9	174.9	-175.3	0	110.1	S160 T161 L162 E163 E165	K158-S160 PolarHBondContact O-N 3.36Å; K158-T161 PolarHBondContact O-N 2.88Å; K158-L162 VanDerWaalsContact O-CA 3.31Å; K158-L162 WeakPolarHBondContact O-CA 3.48Å; K158-L162 PolarHBondContact O-N 2.96Å; K158-E163 PolarHBondContact N-O 3.32Å; K158-E165 WeakPolarHBondContact CE-OE1 3.45Å; K158-E165 HydrophobicContact CG-CB 4.38Å; K158-E165 IonicContact NZ-OE1 2.69Å; K158-E165 PolarHBondContact NZ-OE1 2.86Å
159	M	94	Very high	95.6	Very high	25 Å²	25	49.3 Å²	49.3	12%	0.123	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.3	-176.9	-166.7	180	-54	0	0	112.4	I77 Y82 E140 L142 Y157	I77-M159 HydrophobicContact CB-SD 4.46Å; I77-M159 HydrophobicContact CD1-CE 3.67Å; I77-M159 HydrophobicContact CD1-SD 3.79Å; I77-M159 HydrophobicContact CG2-SD 3.97Å; Y82-M159 HydrophobicContact CE2-CG 4.48Å; Y82-M159 WeakPolarHBondContact OH-CG 3.48Å; Y82-M159 PolarHBondContact OH-O 2.96Å; Y82-M159 VanDerWaalsContact OH-O 3.09Å; E140-M159 VanDerWaalsContact O-CB 3.28Å; E140-M159 WeakPolarHBondContact O-CB 3.46Å; E140-M159 PolarHBondContact O-N 3.01Å; L142-M159 HydrophobicContact CD1-CB 4.44Å; L142-M159 HydrophobicContact CD1-CG 4.15Å; L142-M159 HydrophobicContact CD2-CE 4.11Å; L142-M159 HydrophobicContact CG-CB 4.22Å; L142-M159 HydrophobicContact CG-CE 4.22Å; L142-M159 HydrophobicContact CG-CG 4.09Å; Y157-M159 PolarHBondContact O-N 2.7Å
160	S	92.3	Very high	95.6	Very high	84 Å²	84	53.8 Å²	53.8	59%	0.587	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-22.9	-178.1	53.7	0	0	0	0	115.6	Q105 K158	Q105-S160 PolarHBondContact NE2-O 2.97Å; Q105-S160 PolarHBondContact OE1-O 3.39Å; K158-S160 PolarHBondContact O-N 3.36Å
161	T	94.6	Very high	95.8	Very high	61 Å²	61	53.4 Å²	53.4	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-10.9	-177.2	61.6	0	0	0	0	114.9	Q105 K158 E163	Q105-T161 VanDerWaalsContact OE1-CA 3.28Å; Q105-T161 PolarHBondContact OE1-O 2.74Å; K158-T161 PolarHBondContact O-N 2.88Å; T161-E163 VanDerWaalsContact CB-OE2 3.25Å; T161-E163 WeakPolarHBondContact CB-OE2 3.25Å; T161-E163 PolarHBondContact O-N 3.4Å; T161-E163 WeakPolarHBondContact OG1-CB 3.13Å; T161-E163 WeakPolarHBondContact OG1-CG 3.49Å; T161-E163 PolarHBondContact OG1-N 2.03Å; T161-E163 PolarHBondContact OG1-OE2 3.15Å
162	L	96	Very high	95.9	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	30%	0.295	C	S	.	.			trans	54.8	20.9	-168.1	-63.2	-178.7	0	0	0	114.7	Y82 A91 Q105 L107 L142 Y157 K158	Y82-L162 HydrophobicContact CD1-CD2 4.41Å; Y82-L162 HydrophobicContact CE1-CD2 4.03Å; A91-L162 HydrophobicContact CB-CD1 4.09Å; Q105-L162 HydrophobicContact CB-CD1 3.93Å; Q105-L162 HydrophobicContact CB-CG 4.43Å; L107-L162 HydrophobicContact CB-CB 4.36Å; L107-L162 HydrophobicContact CB-CD1 4.24Å; L142-L162 HydrophobicContact CD1-CD2 4Å; Y157-L162 VanDerWaalsContact CD1-O 3.28Å; Y157-L162 WeakPolarHBondContact CD1-O 3.45Å; K158-L162 VanDerWaalsContact O-CA 3.31Å; K158-L162 WeakPolarHBondContact O-CA 3.48Å; K158-L162 PolarHBondContact O-N 2.96Å
163	E	96.1	Very high	95.9	Very high	120 Å²	120	55.4 Å²	55.4	56%	0.561	30%	0.296	S	S	*	.			trans	-78.2	144.3	171.5	-65.5	167.8	131.1	0	0	110.9	Y157 K158 T161	Y157-E163 CarbonylContact C-O 3.56Å; Y157-E163 VanDerWaalsContact CA-O 3.28Å; Y157-E163 WeakPolarHBondContact CA-O 3.47Å; K158-E163 PolarHBondContact N-O 3.32Å; T161-E163 VanDerWaalsContact CB-OE2 3.25Å; T161-E163 WeakPolarHBondContact CB-OE2 3.25Å; T161-E163 PolarHBondContact O-N 3.4Å; T161-E163 WeakPolarHBondContact OG1-CB 3.13Å; T161-E163 WeakPolarHBondContact OG1-CG 3.49Å; T161-E163 PolarHBondContact OG1-N 2.03Å; T161-E163 PolarHBondContact OG1-OE2 3.15Å
164	Q	96.2	Very high	95.9	Very high	79 Å²	79	56 Å²	56	37%	0.369	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	138.4	179.8	179.5	177.4	-32.2	0	0	111.1	R155 N156 Y157 G166	R155-Q164 VanDerWaalsContact CD-OE1 3.32Å; R155-Q164 VanDerWaalsContact CZ-OE1 3.23Å; N156-Q164 WeakPolarHBondContact O-CA 3.12Å; Y157-Q164 HydrophobicContact CD1-CB 4.17Å; Y157-Q164 HydrophobicContact CE1-CB 3.79Å; Q164-G166 PolarHBondContact NE2-O 3.08Å
165	E	95.1	Very high	95.8	Very high	68 Å²	68	56 Å²	56	32%	0.318	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.9	176.7	-177.1	154.8	-116	0	0	111.6	T141 N156 K158	T141-E165 PolarHBondContact OG1-OE2 2.82Å; N156-E165 HydrophobicContact CB-CB 4.27Å; N156-E165 WeakPolarHBondContact CB-O 3.49Å; N156-E165 PolarHBondContact ND2-O 3.13Å; N156-E165 PolarHBondContact O-N 2.95Å; K158-E165 WeakPolarHBondContact CE-OE1 3.45Å; K158-E165 HydrophobicContact CG-CB 4.38Å; K158-E165 IonicContact NZ-OE1 2.69Å; K158-E165 PolarHBondContact NZ-OE1 2.86Å
166	G	93.1	Very high	95.7	Very high	52 Å²	52	54.1 Å²	54.1	54%	0.536	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	70.9	-168.6	-177.9	0	0	0	0	0	114.5	Q164	Q164-G166 PolarHBondContact NE2-O 3.08Å
167	E	92.9	Very high	95.5	Very high	160 Å²	160	53.7 Å²	53.7	75%	0.748	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	162	-173.8	-68	-56.7	146.3	0	0	114.1
168	E	95.3	Very high	95.3	Very high	94 Å²	94	55.7 Å²	55.7	44%	0.439	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.6	170.9	-59	-161.5	157.2	0	0	111.6	T153 R155	T153-E168 HydrophobicContact CG2-CB 3.99Å; T153-E168 HydrophobicContact CG2-CG 4.33Å; R155-E168 HydrophobicContact CG-CG 4.1Å; R155-E168 IonicContact CZ-OE1 3.72Å; R155-E168 IonicContact NE-OE1 3.17Å; R155-E168 PolarHBondContact NE-OE1 3.34Å; R155-E168 IonicContact NH2-OE1 2.73Å; R155-E168 PolarHBondContact NH2-OE1 3.38Å
169	V	95.6	Very high	95	Very high	43 Å²	43	53.2 Å²	53.2	26%	0.261	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.9	177.5	179.7	0	0	0	0	109.1	C154 G171 L211	C154-V169 HydrophobicContact CB-CB 4.21Å; C154-V169 PolarHBondContact N-O 2.9Å; C154-V169 PolarHBondContact O-N 2.97Å; V169-G171 PolarHBondContact O-N 2.63Å; V169-L211 HydrophobicContact CG1-CD2 3.93Å
170	V	96.4	Very high	94.8	Very high	96 Å²	96	62.2 Å²	62.2	58%	0.582	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.5	125.5	176.7	177.2	0	0	0	0	110.3	Q172 R174	V170-Q172 HydrophobicContact CG1-CB 3.74Å; V170-R174 PolarHBondContact O-NH1 2.83Å
171	G	96.8	Very high	94.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.301	C	S	.	.			trans	-85.9	-6.5	-178.4	0	0	0	0	0	114.8	P152 V169 A173 R174 C175	P152-G171 WeakPolarHBondContact O-CA 3.39Å; P152-G171 PolarHBondContact O-N 3.02Å; V169-G171 PolarHBondContact O-N 2.63Å; G171-A173 PolarHBondContact O-N 3.21Å; G171-R174 CarbonylContact O-C 3.57Å; G171-R174 WeakPolarHBondContact O-CA 3.22Å; G171-R174 WeakPolarHBondContact O-CB 3.39Å; G171-R174 PolarHBondContact O-N 3.2Å; G171-C175 PolarHBondContact O-N 2.99Å
172	Q	97	Very high	94.8	Very high	98 Å²	98	58 Å²	58	46%	0.458	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	135.1	174.9	-165.7	-178.4	10.2	0	0	111.3	V170 R174 F177 T198	V170-Q172 HydrophobicContact CG1-CB 3.74Å; Q172-R174 PolarHBondContact O-N 3.02Å; Q172-F177 HydrophobicContact CG-CZ 4.37Å; Q172-T198 WeakPolarHBondContact CG-O 3.03Å; Q172-T198 PolarHBondContact NE2-O 3.46Å
173	A	96.4	Very high	94.8	Very high	7 Å²	7	58.4 Å²	58.4	6%	0.058	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-1	-173.6	0	0	0	0	0	116.2	G171 S194 T196 T198 V206 Y208	G171-A173 PolarHBondContact O-N 3.21Å; A173-S194 PolarHBondContact O-OG 3.3Å; A173-T196 VanDerWaalsContact C-CG2 3.48Å; A173-T196 WeakPolarHBondContact O-CG2 3.33Å; A173-T198 HydrophobicContact CB-CG2 3.9Å; A173-V206 HydrophobicContact CB-CG1 4.01Å; A173-Y208 HydrophobicContact CB-CD1 3.64Å; A173-Y208 HydrophobicContact CB-CD2 4.29Å; A173-Y208 HydrophobicContact CB-CE1 3.84Å; A173-Y208 HydrophobicContact CB-CE2 4.45Å; A173-Y208 HydrophobicContact CB-CG 3.88Å; A173-Y208 WeakPolarHBondContact O-CD1 3.43Å
174	R	97.8	Very high	94.8	Very high	25 Å²	25	52.9 Å²	52.9	9%	0.094	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-31.3	176.9	-60.3	178.4	-178.7	89.5	12.7	112.3	V133 V170 G171 Q172 F192 Y208 S210	V133-R174 WeakPolarHBondContact CG2-O 3.41Å; V170-R174 PolarHBondContact O-NH1 2.83Å; G171-R174 CarbonylContact O-C 3.57Å; G171-R174 WeakPolarHBondContact O-CA 3.22Å; G171-R174 WeakPolarHBondContact O-CB 3.39Å; G171-R174 PolarHBondContact O-N 3.2Å; Q172-R174 PolarHBondContact O-N 3.02Å; R174-F192 HydrophobicContact CB-CE1 3.81Å; R174-F192 HydrophobicContact CG-CD1 4.14Å; R174-F192 HydrophobicContact CG-CE1 3.93Å; R174-Y208 HydrophobicContact CG-CD1 4.4Å; R174-Y208 HydrophobicContact CG-CE1 4.21Å; R174-Y208 PolarHBondContact NH2-OH 3.45Å; R174-S210 PolarHBondContact NE-OG 3.3Å; R174-S210 PolarHBondContact NH2-OG 3.39Å
175	C	97.3	Very high	94.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-140.9	141.3	-175.7	-178.3	0	0	0	0	109.6	C145 P152 G171	C145-C175 HydrophobicContact CB-CB 3.53Å; P152-C175 HydrophobicContact CB-CB 4.08Å; G171-C175 PolarHBondContact O-N 2.99Å
176	P	95.8	Very high	95	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.			trans	-71	164.3	179.5	27.7	-34.1	0	0	0	112.3	K132 P152 Q181 N183 T196	K132-P176 HydrophobicContact CB-CG 4.06Å; K132-P176 HydrophobicContact CG-CG 3.87Å; P152-P176 VanDerWaalsContact CG-O 3.27Å; P152-P176 WeakPolarHBondContact CG-O 3.48Å; P176-Q181 HydrophobicContact CB-CB 3.59Å; P176-Q181 VanDerWaalsContact CB-OE1 3.28Å; P176-Q181 HydrophobicContact CG-CB 4.36Å; P176-N183 HydrophobicContact CG-CB 3.93Å; P176-T196 WeakPolarHBondContact CA-OG1 3.41Å; P176-T196 WeakPolarHBondContact CB-OG1 3.47Å
177	F	93.4	Very high	95.2	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.079	23%	0.229	C	C	.	.	S	Bend	trans	-82.4	-34	176.1	-71.2	-101.9	0	0	0	112.2	F150 P152 Q172 T198 D199 F200	F150-F177 HydrophobicContact CD1-CB 4.09Å; F150-F177 VanDerWaalsContact CD1-O 3.27Å; F150-F177 WeakPolarHBondContact CD1-O 3.32Å; F150-F177 WeakPolarHBondContact CG-O 3.44Å; P152-F177 VanDerWaalsContact CD-CD1 3.47Å; P152-F177 VanDerWaalsContact CD-CE1 3.44Å; P152-F177 HydrophobicContact CG-CB 4.37Å; P152-F177 HydrophobicContact CG-CD1 3.83Å; P152-F177 HydrophobicContact CG-CD2 4.06Å; P152-F177 HydrophobicContact CG-CE1 4.05Å; P152-F177 HydrophobicContact CG-CE2 4.25Å; P152-F177 HydrophobicContact CG-CG 3.83Å; P152-F177 HydrophobicContact CG-CZ 4.25Å; Q172-F177 HydrophobicContact CG-CZ 4.37Å; F177-T198 WeakPolarHBondContact CE2-O 3.39Å; F177-D199 WeakPolarHBondContact CD2-O 3.07Å; F177-F200 HydrophobicContact CD1-CB 4.18Å; F177-F200 HydrophobicContact CD1-CD2 4.29Å; F177-F200 HydrophobicContact CE1-CB 4.36Å
178	E	92.3	Very high	95.3	Very high	46 Å²	46	39.3 Å²	39.3	22%	0.215	20%	0.195	C	C	.	.	S	Bend	trans	-114.5	144.3	-179.1	-167.3	166.7	121	0	0	111.9	K122 F150 R180 Q181	K122-E178 IonicContact NZ-OE2 3.4Å; K122-E178 PolarHBondContact NZ-OE2 3.41Å; F150-E178 HydrophobicContact CE1-CB 3.63Å; F150-E178 HydrophobicContact CE1-CG 3.84Å; F150-E178 WeakPolarHBondContact CE1-OE2 3.32Å; F150-E178 HydrophobicContact CZ-CB 4.07Å; F150-E178 HydrophobicContact CZ-CG 3.79Å; E178-R180 PolarHBondContact O-N 2.69Å; E178-Q181 HydrophobicContact CB-CG 4.04Å; E178-Q181 VanDerWaalsContact N-OE1 3.14Å; E178-Q181 WeakPolarHBondContact O-CB 3.43Å; E178-Q181 PolarHBondContact O-N 2.77Å; E178-Q181 VanDerWaalsContact O-N 3.12Å
179	S	91.8	Very high	95.1	Very high	32 Å²	32	38 Å²	38	22%	0.224	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-29.5	-178.6	56.8	0	0	0	0	114.2	Y130 K132 Q181	Y130-S179 VanDerWaalsContact CG-CB 3.47Å; K132-S179 PolarHBondContact NZ-O 3.18Å; S179-Q181 VanDerWaalsContact C-N 3.34Å
180	R	89.6	Confident	95	Very high	214 Å²	214	38.4 Å²	38.4	81%	0.808	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.5	178	-70.1	178.4	170.8	165	-2.3	114.1	E178	E178-R180 PolarHBondContact O-N 2.69Å
181	Q	92.4	Very high	95	Very high	33 Å²	33	34.2 Å²	34.2	15%	0.154	19%	0.194	C	C	.	.	S	Bend	trans	-72.4	135.2	176.7	-71.4	164.6	-3.9	0	0	110	P176 E178 S179	P176-Q181 HydrophobicContact CB-CB 3.59Å; P176-Q181 VanDerWaalsContact CB-OE1 3.28Å; P176-Q181 HydrophobicContact CG-CB 4.36Å; E178-Q181 HydrophobicContact CB-CG 4.04Å; E178-Q181 VanDerWaalsContact N-OE1 3.14Å; E178-Q181 WeakPolarHBondContact O-CB 3.43Å; E178-Q181 PolarHBondContact O-N 2.77Å; E178-Q181 VanDerWaalsContact O-N 3.12Å; S179-Q181 VanDerWaalsContact C-N 3.34Å
182	S	93.3	Very high	95.1	Very high	23 Å²	23	34.2 Å²	34.2	16%	0.161	19%	0.194	C	C	.	.			trans	-69.9	142.4	171.9	47.1	0	0	0	0	111.6	H234 F235	S182-H234 VanDerWaalsContact CB-ND1 3.34Å; S182-H234 WeakPolarHBondContact CB-ND1 3.32Å; S182-H234 WeakPolarHBondContact OG-CA 3.31Å; S182-H234 PolarHBondContact OG-ND1 3.29Å; S182-F235 WeakPolarHBondContact CB-O 3.38Å; S182-F235 PolarHBondContact OG-N 3.11Å
183	N	95.9	Very high	95.2	Very high	18 Å²	18	29.6 Å²	29.6	10%	0.096	17%	0.173	C	C	.	.			trans	-151.5	151.9	177.1	70.3	-80.3	0	0	0	111.4	K132 P176 A195	K132-N183 WeakPolarHBondContact CE-OD1 3.4Å; K132-N183 PolarHBondContact O-ND2 2.91Å; P176-N183 HydrophobicContact CG-CB 3.93Å; N183-A195 VanDerWaalsContact CA-O 3.31Å; N183-A195 WeakPolarHBondContact CA-O 3.4Å
184	V	96.9	Very high	95.3	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146	173.8	177.6	0	0	0	0	108.5	S194 A195 F235 A238	V184-S194 CarbonylContact O-C 3.58Å; V184-S194 VanDerWaalsContact O-CA 3.25Å; V184-S194 WeakPolarHBondContact O-CA 3.45Å; V184-A195 HydrophobicContact CB-CB 4.36Å; V184-A195 PolarHBondContact N-O 2.9Å; V184-A195 PolarHBondContact O-N 3.04Å; V184-F235 HydrophobicContact CG2-CB 3.88Å; V184-A238 HydrophobicContact CG1-CB 3.37Å
185	G	96.9	Very high	95.3	Very high	14 Å²	14	28 Å²	28	14%	0.144	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	147.1	171.1	0	0	0	0	0	111.5	V135 Y193	V135-G185 WeakPolarHBondContact CG1-O 3.32Å; G185-Y193 CarbonylContact C-O 3.45Å; G185-Y193 WeakPolarHBondContact CA-O 3.22Å
186	L	97.4	Very high	95.3	Very high	23 Å²	23	28 Å²	28	12%	0.12	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	160	174.5	61.6	82.4	0	0	0	110.9	A188 F192 Y193 A238 V245	L186-A188 HydrophobicContact CD1-CB 3.58Å; L186-F192 VanDerWaalsContact O-CD2 3.32Å; L186-F192 WeakPolarHBondContact O-CD2 3.46Å; L186-Y193 HydrophobicContact CD1-CD2 4.26Å; L186-Y193 HydrophobicContact CD1-CG 4.44Å; L186-Y193 PolarHBondContact N-O 2.83Å; L186-Y193 PolarHBondContact O-N 2.84Å; L186-A238 VanDerWaalsContact CD2-C 3.4Å; L186-A238 HydrophobicContact CD2-CB 3.61Å; L186-A238 WeakPolarHBondContact CD2-O 3.47Å; L186-A238 HydrophobicContact CG-CB 4.5Å; L186-V245 HydrophobicContact CD1-CG1 4.21Å; L186-V245 HydrophobicContact CD2-CG1 4.38Å
187	F	97.5	Very high	95.1	Very high	33 Å²	33	28.8 Å²	28.8	15%	0.145	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.9	162.5	-80.5	-91	0	0	0	109.9	V135 P136 R137 F143 D191 F192 L211	V135-F187 HydrophobicContact CG2-CD2 4.02Å; V135-F187 HydrophobicContact CG2-CE2 4.27Å; P136-F187 WeakPolarHBondContact O-CD2 3.1Å; R137-F187 HydrophobicContact CB-CD2 4.27Å; R137-F187 HydrophobicContact CB-CE2 4.01Å; R137-F187 HydrophobicContact CB-CZ 4.32Å; R137-F187 HydrophobicContact CG-CD1 4.46Å; R137-F187 HydrophobicContact CG-CD2 4.43Å; R137-F187 HydrophobicContact CG-CE1 4.05Å; R137-F187 HydrophobicContact CG-CE2 4.04Å; R137-F187 HydrophobicContact CG-CZ 3.84Å; F143-F187 HydrophobicContact CB-CE2 3.66Å; F143-F187 HydrophobicContact CB-CZ 4.38Å; F143-F187 AromaticContact CD1-CE2 3.71Å; F143-F187 HydrophobicContact CD1-CE2 3.71Å; F143-F187 HydrophobicContact CD1-CZ 4.24Å; F143-F187 HydrophobicContact CE1-CE2 4.47Å; F143-F187 AromaticContact CG-CE2 3.76Å; F143-F187 HydrophobicContact CG-CE2 3.76Å; F143-F187 HydrophobicContact CG-CZ 4.19Å; F187-D191 VanDerWaalsContact CA-O 3.32Å; F187-D191 WeakPolarHBondContact CA-O 3.49Å; F187-F192 HydrophobicContact CD1-CB 4.16Å; F187-F192 AromaticContact CD2-CD2 3.79Å; F187-F192 HydrophobicContact CD2-CD2 3.79Å; F187-F192 HydrophobicContact CE1-CB 3.69Å; F187-F192 HydrophobicContact CE1-CD2 4.44Å; F187-F192 HydrophobicContact CE2-CB 4.27Å; F187-F192 AromaticContact CE2-CD2 3.52Å; F187-F192 HydrophobicContact CE2-CD2 3.52Å; F187-F192 HydrophobicContact CE2-CE2 4.3Å; F187-F192 HydrophobicContact CE2-CG 4.24Å; F187-F192 HydrophobicContact CG-CD2 4.34Å; F187-F192 HydrophobicContact CZ-CB 3.74Å; F187-F192 AromaticContact CZ-CD2 3.88Å; F187-F192 HydrophobicContact CZ-CD2 3.88Å; F187-F192 HydrophobicContact CZ-CG 4.14Å; F187-L211 HydrophobicContact CZ-CD1 4.45Å
188	A	96.4	Very high	95.2	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.025	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	134	174.6	0	0	0	0	0	109.6	L186 G190 D191 Y193 E240 V245 K272	L186-A188 HydrophobicContact CD1-CB 3.58Å; A188-G190 PolarHBondContact O-N 2.82Å; A188-D191 PolarHBondContact N-O 3.09Å; A188-D191 PolarHBondContact O-N 3Å; A188-Y193 HydrophobicContact CB-CD2 3.85Å; A188-Y193 HydrophobicContact CB-CE2 3.83Å; A188-Y193 WeakPolarHBondContact O-CE2 3.47Å; A188-E240 VanDerWaalsContact CA-OE2 3.31Å; A188-E240 WeakPolarHBondContact CA-OE2 3.47Å; A188-E240 HydrophobicContact CB-CB 3.96Å; A188-E240 VanDerWaalsContact CB-CD 3.48Å; A188-E240 HydrophobicContact CB-CG 4.03Å; A188-E240 WeakPolarHBondContact CB-OE2 3.24Å; A188-V245 HydrophobicContact CB-CG2 3.69Å; A188-K272 HydrophobicContact CB-CD 4.31Å
189	G	91.4	Very high	95.1	Very high	66 Å²	66	27.9 Å²	27.9	68%	0.68	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	19.4	-178.4	0	0	0	0	0	116.2
190	G	92.6	Very high	94.9	Very high	53 Å²	53	29.6 Å²	29.6	55%	0.546	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	-16.2	-175.2	0	0	0	0	0	115.5	A188	A188-G190 PolarHBondContact O-N 2.82Å
191	D	97.1	Very high	94.8	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	150.1	-178.5	-60.7	-30.5	0	0	0	112.1	F187 A188 Y193 R209 G212 S215	F187-D191 VanDerWaalsContact CA-O 3.32Å; F187-D191 WeakPolarHBondContact CA-O 3.49Å; A188-D191 PolarHBondContact N-O 3.09Å; A188-D191 PolarHBondContact O-N 3Å; D191-Y193 HydrophobicContact CB-CD2 4.3Å; D191-Y193 HydrophobicContact CB-CE2 3.69Å; D191-Y193 WeakPolarHBondContact O-CD2 3.35Å; D191-R209 HydrophobicContact CB-CG 3.72Å; D191-R209 VanDerWaalsContact OD2-CD 3.29Å; D191-R209 WeakPolarHBondContact OD2-CD 3.31Å; D191-R209 IonicContact OD2-CZ 3.49Å; D191-R209 IonicContact OD2-NE 3.49Å; D191-R209 PolarHBondContact OD2-NE 2.8Å; D191-R209 IonicContact OD2-NH1 2.8Å; D191-G212 WeakPolarHBondContact OD1-CA 3.25Å; D191-S215 VanDerWaalsContact CG-OG 3.27Å; D191-S215 WeakPolarHBondContact OD1-CB 3.44Å; D191-S215 PolarHBondContact OD1-OG 3.48Å; D191-S215 VanDerWaalsContact OD1-OG 3.05Å; D191-S215 WeakPolarHBondContact OD2-CB 3.46Å; D191-S215 PolarHBondContact OD2-OG 2.79Å
192	F	98.3	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115.4	170.5	-175.7	-110	0	0	0	111.1	V133 V135 F143 R174 L186 F187 R209 S210 L211	V133-F192 HydrophobicContact CG1-CE2 4.3Å; V133-F192 HydrophobicContact CG1-CZ 4.09Å; V135-F192 HydrophobicContact CG2-CE2 4.23Å; F143-F192 HydrophobicContact CD1-CD2 4.01Å; F143-F192 AromaticContact CD1-CE2 3.79Å; F143-F192 HydrophobicContact CD1-CE2 3.79Å; F143-F192 HydrophobicContact CD1-CZ 4.19Å; F143-F192 HydrophobicContact CE1-CD1 4.11Å; F143-F192 AromaticContact CE1-CD2 3.94Å; F143-F192 HydrophobicContact CE1-CD2 3.94Å; F143-F192 AromaticContact CE1-CE1 3.91Å; F143-F192 HydrophobicContact CE1-CE1 3.91Å; F143-F192 AromaticContact CE1-CE2 3.74Å; F143-F192 HydrophobicContact CE1-CE2 3.74Å; F143-F192 HydrophobicContact CE1-CG 4.12Å; F143-F192 AromaticContact CE1-CZ 3.73Å; F143-F192 HydrophobicContact CE1-CZ 3.73Å; R174-F192 HydrophobicContact CB-CE1 3.81Å; R174-F192 HydrophobicContact CG-CD1 4.14Å; R174-F192 HydrophobicContact CG-CE1 3.93Å; L186-F192 VanDerWaalsContact O-CD2 3.32Å; L186-F192 WeakPolarHBondContact O-CD2 3.46Å; F187-F192 HydrophobicContact CD1-CB 4.16Å; F187-F192 AromaticContact CD2-CD2 3.79Å; F187-F192 HydrophobicContact CD2-CD2 3.79Å; F187-F192 HydrophobicContact CE1-CB 3.69Å; F187-F192 HydrophobicContact CE1-CD2 4.44Å; F187-F192 HydrophobicContact CE2-CB 4.27Å; F187-F192 AromaticContact CE2-CD2 3.52Å; F187-F192 HydrophobicContact CE2-CD2 3.52Å; F187-F192 HydrophobicContact CE2-CE2 4.3Å; F187-F192 HydrophobicContact CE2-CG 4.24Å; F187-F192 HydrophobicContact CG-CD2 4.34Å; F187-F192 HydrophobicContact CZ-CB 3.74Å; F187-F192 AromaticContact CZ-CD2 3.88Å; F187-F192 HydrophobicContact CZ-CD2 3.88Å; F187-F192 HydrophobicContact CZ-CG 4.14Å; F192-R209 VanDerWaalsContact O-CA 3.31Å; F192-R209 WeakPolarHBondContact O-CA 3.28Å; F192-S210 WeakPolarHBondContact CA-O 3.36Å; F192-S210 WeakPolarHBondContact CB-O 3.38Å; F192-S210 PolarHBondContact N-O 2.85Å; F192-S210 PolarHBondContact O-N 3.47Å; F192-L211 HydrophobicContact CB-CB 4.03Å; F192-L211 HydrophobicContact CB-CD1 3.97Å; F192-L211 HydrophobicContact CB-CG 4.16Å; F192-L211 HydrophobicContact CD1-CD1 4.36Å; F192-L211 HydrophobicContact CG-CD1 4.29Å
193	Y	98.8	Very high	94.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.9	174	-69.5	-99.1	0	0	0	109.7	G185 L186 A188 D191 Y208 R209 V245 F247 V270 K272 W286	G185-Y193 CarbonylContact C-O 3.45Å; G185-Y193 WeakPolarHBondContact CA-O 3.22Å; L186-Y193 HydrophobicContact CD1-CD2 4.26Å; L186-Y193 HydrophobicContact CD1-CG 4.44Å; L186-Y193 PolarHBondContact N-O 2.83Å; L186-Y193 PolarHBondContact O-N 2.84Å; A188-Y193 HydrophobicContact CB-CD2 3.85Å; A188-Y193 HydrophobicContact CB-CE2 3.83Å; A188-Y193 WeakPolarHBondContact O-CE2 3.47Å; D191-Y193 HydrophobicContact CB-CD2 4.3Å; D191-Y193 HydrophobicContact CB-CE2 3.69Å; D191-Y193 WeakPolarHBondContact O-CD2 3.35Å; Y193-Y208 CarbonylContact C-O 3.56Å; Y193-R209 HydrophobicContact CD1-CB 4.22Å; Y193-R209 HydrophobicContact CD1-CG 4.17Å; Y193-R209 HydrophobicContact CD2-CG 4.38Å; Y193-R209 HydrophobicContact CE1-CB 4.22Å; Y193-R209 HydrophobicContact CE1-CG 3.93Å; Y193-R209 HydrophobicContact CE2-CG 4.13Å; Y193-R209 HydrophobicContact CG-CG 4.37Å; Y193-R209 WeakPolarHBondContact OH-CD 3.4Å; Y193-V245 HydrophobicContact CD1-CB 4.01Å; Y193-V245 HydrophobicContact CD1-CG1 4.14Å; Y193-V245 HydrophobicContact CD1-CG2 3.88Å; Y193-V245 HydrophobicContact CD2-CG2 4.01Å; Y193-V245 HydrophobicContact CE1-CB 4.18Å; Y193-V245 HydrophobicContact CE1-CG2 3.81Å; Y193-V245 HydrophobicContact CE2-CG2 3.95Å; Y193-V245 HydrophobicContact CG-CB 4.39Å; Y193-V245 HydrophobicContact CG-CG1 4.19Å; Y193-V245 HydrophobicContact CG-CG2 4Å; Y193-F247 HydrophobicContact CD1-CE2 4.46Å; Y193-F247 HydrophobicContact CD1-CZ 4.16Å; Y193-V270 HydrophobicContact CD1-CG2 4.22Å; Y193-V270 HydrophobicContact CE1-CG2 3.92Å; Y193-K272 WeakPolarHBondContact OH-CA 3.5Å; Y193-K272 PolarHBondContact OH-O 2.89Å; Y193-W286 HydrophobicContact CD1-CH2 4.11Å; Y193-W286 AromaticContact CE1-CH2 3.68Å; Y193-W286 HydrophobicContact CE1-CH2 3.68Å; Y193-W286 HydrophobicContact CE1-CZ3 4.36Å
194	S	98.6	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	154.9	-175.8	44.6	0	0	0	0	113.1	A173 V184 I207 Y208	A173-S194 PolarHBondContact O-OG 3.3Å; V184-S194 CarbonylContact O-C 3.58Å; V184-S194 VanDerWaalsContact O-CA 3.25Å; V184-S194 WeakPolarHBondContact O-CA 3.45Å; S194-I207 WeakPolarHBondContact O-CA 3.49Å; S194-Y208 PolarHBondContact N-O 3.23Å; S194-Y208 PolarHBondContact O-N 3.18Å; S194-Y208 PolarHBondContact OG-O 2.91Å
195	A	98	Very high	94.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	117.1	175.3	0	0	0	0	0	110.4	N183 V184 V206 I207 F235 F247	N183-A195 VanDerWaalsContact CA-O 3.31Å; N183-A195 WeakPolarHBondContact CA-O 3.4Å; V184-A195 HydrophobicContact CB-CB 4.36Å; V184-A195 PolarHBondContact N-O 2.9Å; V184-A195 PolarHBondContact O-N 3.04Å; A195-V206 VanDerWaalsContact CA-O 3.28Å; A195-V206 WeakPolarHBondContact CA-O 3.32Å; A195-I207 HydrophobicContact CB-CG1 3.77Å; A195-F235 HydrophobicContact CB-CB 4.14Å; A195-F235 HydrophobicContact CB-CD1 3.53Å; A195-F235 HydrophobicContact CB-CD2 4.09Å; A195-F235 HydrophobicContact CB-CE1 3.85Å; A195-F235 HydrophobicContact CB-CE2 4.36Å; A195-F235 HydrophobicContact CB-CG 3.66Å; A195-F235 HydrophobicContact CB-CZ 4.25Å; A195-F247 HydrophobicContact CB-CD1 3.94Å; A195-F247 HydrophobicContact CB-CE1 4.1Å
196	T	96.3	Very high	94.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-164.4	-174.3	-165.1	0	0	0	0	111.1	A173 P176 V206	A173-T196 VanDerWaalsContact C-CG2 3.48Å; A173-T196 WeakPolarHBondContact O-CG2 3.33Å; P176-T196 WeakPolarHBondContact CA-OG1 3.41Å; P176-T196 WeakPolarHBondContact CB-OG1 3.47Å; T196-V206 PolarHBondContact N-O 2.89Å; T196-V206 VanDerWaalsContact N-O 3.15Å; T196-V206 PolarHBondContact O-N 3.39Å
197	M	93.6	Very high	94.3	Very high	16 Å²	16	24.1 Å²	24.1	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.4	175.9	-57.4	-59.7	-180	0	0	111.9	A202 A205 P233	M197-A202 HydrophobicContact CB-CB 4.44Å; M197-A202 HydrophobicContact CE-CB 4.22Å; M197-A202 HydrophobicContact CG-CB 3.81Å; M197-A202 HydrophobicContact SD-CB 4.06Å; M197-A205 HydrophobicContact CE-CB 4.1Å; M197-A205 HydrophobicContact SD-CB 3.58Å; M197-A205 VanDerWaalsContact SD-CB 3.58Å; M197-P233 HydrophobicContact CE-CG 4.42Å
198	T	93.5	Very high	94.3	Very high	14 Å²	14	24.1 Å²	24.1	9%	0.086	16%	0.159	C	C	.	.	S	Bend	trans	-93.2	-13.7	174.4	84.4	0	0	0	0	114.1	Q172 A173 F177 D204 V206	Q172-T198 WeakPolarHBondContact CG-O 3.03Å; Q172-T198 PolarHBondContact NE2-O 3.46Å; A173-T198 HydrophobicContact CB-CG2 3.9Å; F177-T198 WeakPolarHBondContact CE2-O 3.39Å; T198-D204 VanDerWaalsContact CG2-OD2 3.26Å; T198-D204 WeakPolarHBondContact CG2-OD2 3.48Å; T198-D204 PolarHBondContact N-O 2.82Å; T198-D204 WeakPolarHBondContact OG1-CB 3.36Å; T198-D204 PolarHBondContact OG1-OD2 2.88Å; T198-V206 HydrophobicContact CG2-CB 3.82Å; T198-V206 HydrophobicContact CG2-CG1 3.48Å; T198-V206 VanDerWaalsContact CG2-CG1 3.48Å; T198-V206 HydrophobicContact CG2-CG2 4.47Å
199	D	90.5	Very high	94.4	Very high	31 Å²	31	24 Å²	24	17%	0.166	16%	0.158	C	C	.	.	S	Bend	trans	-131.4	155	-171.7	70	-50.3	0	0	0	113.7	F177 L201 A202 S203 D204	F177-D199 WeakPolarHBondContact CD2-O 3.07Å; D199-L201 PolarHBondContact O-N 3.17Å; D199-L201 WeakPolarHBondContact OD2-CB 3.39Å; D199-A202 PolarHBondContact O-N 3.23Å; D199-S203 PolarHBondContact OD1-N 3.36Å; D199-S203 WeakPolarHBondContact OD2-CB 3.39Å; D199-S203 PolarHBondContact OD2-N 3.44Å; D199-S203 VanDerWaalsContact OD2-N 3.08Å; D199-S203 PolarHBondContact OD2-OG 3.28Å; D199-D204 PolarHBondContact OD1-N 3.28Å
200	F	87.8	Confident	94.7	Very high	68 Å²	68	21 Å²	21	30%	0.298	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.2	179.3	178.5	-92	0	0	0	113.5	R120 K122 F150 F177	R120-F200 HydrophobicContact CB-CZ 4.2Å; K122-F200 HydrophobicContact CG-CZ 4.2Å; F150-F200 HydrophobicContact CB-CD2 3.9Å; F150-F200 HydrophobicContact CB-CE2 3.65Å; F150-F200 HydrophobicContact CD1-CD2 4.05Å; F150-F200 AromaticContact CD1-CE2 3.66Å; F150-F200 HydrophobicContact CD1-CE2 3.66Å; F150-F200 HydrophobicContact CG-CD2 4.39Å; F150-F200 AromaticContact CG-CE2 3.89Å; F150-F200 HydrophobicContact CG-CE2 3.89Å; F177-F200 HydrophobicContact CD1-CB 4.18Å; F177-F200 HydrophobicContact CD1-CD2 4.29Å; F177-F200 HydrophobicContact CE1-CB 4.36Å
201	L	88.4	Confident	94.9	Very high	142 Å²	142	20.6 Å²	20.6	74%	0.743	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-2	178.3	-58.6	176.7	0	0	0	113.5	D199 S203	D199-L201 PolarHBondContact O-N 3.17Å; D199-L201 WeakPolarHBondContact OD2-CB 3.39Å; L201-S203 VanDerWaalsContact C-N 3.26Å; L201-S203 PolarHBondContact O-N 3.07Å
202	A	87.8	Confident	94.6	Very high	23 Å²	23	21.2 Å²	21.2	19%	0.19	12%	0.12	C	C	.	.	S	Bend	trans	54	37.7	-175.2	0	0	0	0	0	114	M197 D199	M197-A202 HydrophobicContact CB-CB 4.44Å; M197-A202 HydrophobicContact CE-CB 4.22Å; M197-A202 HydrophobicContact CG-CB 3.81Å; M197-A202 HydrophobicContact SD-CB 4.06Å; D199-A202 PolarHBondContact O-N 3.23Å
203	S	90.1	Very high	94.1	Very high	43 Å²	43	31.1 Å²	31.1	30%	0.301	17%	0.166	S	C	.	.			trans	-92.9	-20.1	179.3	73	0	0	0	0	113.9	D199 L201	D199-S203 PolarHBondContact OD1-N 3.36Å; D199-S203 WeakPolarHBondContact OD2-CB 3.39Å; D199-S203 PolarHBondContact OD2-N 3.44Å; D199-S203 VanDerWaalsContact OD2-N 3.08Å; D199-S203 PolarHBondContact OD2-OG 3.28Å; L201-S203 VanDerWaalsContact C-N 3.26Å; L201-S203 PolarHBondContact O-N 3.07Å
204	D	92.7	Very high	93.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.011	20%	0.204	C	C	.	.			trans	-119.1	82.6	-180	-179.1	35.2	0	0	0	111.1	T198 D199 R219 K222 Y223	T198-D204 VanDerWaalsContact CG2-OD2 3.26Å; T198-D204 WeakPolarHBondContact CG2-OD2 3.48Å; T198-D204 PolarHBondContact N-O 2.82Å; T198-D204 WeakPolarHBondContact OG1-CB 3.36Å; T198-D204 PolarHBondContact OG1-OD2 2.88Å; D199-D204 PolarHBondContact OD1-N 3.28Å; D204-R219 IonicContact OD1-CZ 3.12Å; D204-R219 IonicContact OD1-NH1 2.74Å; D204-R219 IonicContact OD1-NH2 2.7Å; D204-R219 PolarHBondContact OD1-NH2 2.04Å; D204-R219 IonicContact OD2-CZ 3.04Å; D204-R219 IonicContact OD2-NH1 2.84Å; D204-R219 PolarHBondContact OD2-NH1 2.71Å; D204-R219 IonicContact OD2-NH2 3.94Å; D204-R219 PolarHBondContact OD2-NH2 3.07Å; D204-K222 VanDerWaalsContact OD1-CG 3.31Å; D204-K222 WeakPolarHBondContact OD1-CG 3.38Å; D204-K222 WeakPolarHBondContact OD2-CE 3.23Å; D204-Y223 HydrophobicContact CB-CE1 4.34Å
205	A	95.3	Very high	93.2	Very high	4 Å²	4	38 Å²	38	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	136	168	0	0	0	0	0	111.1	M197 A230 P233 F235	M197-A205 HydrophobicContact CE-CB 4.1Å; M197-A205 HydrophobicContact SD-CB 3.58Å; M197-A205 VanDerWaalsContact SD-CB 3.58Å; A205-A230 HydrophobicContact CB-CB 4.05Å; A205-P233 HydrophobicContact CB-CG 3.29Å; A205-F235 HydrophobicContact CB-CE2 4.27Å; A205-F235 HydrophobicContact CB-CZ 4.24Å
206	V	97	Very high	93.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.9	-171.7	74.4	0	0	0	0	112.1	A173 A195 T196 T198 R219 T220	A173-V206 HydrophobicContact CB-CG1 4.01Å; A195-V206 VanDerWaalsContact CA-O 3.28Å; A195-V206 WeakPolarHBondContact CA-O 3.32Å; T196-V206 PolarHBondContact N-O 2.89Å; T196-V206 VanDerWaalsContact N-O 3.15Å; T196-V206 PolarHBondContact O-N 3.39Å; T198-V206 HydrophobicContact CG2-CB 3.82Å; T198-V206 HydrophobicContact CG2-CG1 3.48Å; T198-V206 VanDerWaalsContact CG2-CG1 3.48Å; T198-V206 HydrophobicContact CG2-CG2 4.47Å; V206-R219 HydrophobicContact CG2-CB 3.7Å; V206-T220 WeakPolarHBondContact CA-OG1 3.49Å
207	I	98.5	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.3	155	-71.8	163	0	0	0	107.2	S194 A195 R219 T220 L228 F235 F247 F249 W286 F289	S194-I207 WeakPolarHBondContact O-CA 3.49Å; A195-I207 HydrophobicContact CB-CG1 3.77Å; I207-R219 CarbonylContact O-C 3.5Å; I207-R219 WeakPolarHBondContact O-CA 3.37Å; I207-T220 HydrophobicContact CB-CG2 3.77Å; I207-T220 PolarHBondContact N-OG1 2.83Å; I207-T220 VanDerWaalsContact N-OG1 3.17Å; I207-T220 PolarHBondContact O-N 3.19Å; I207-L228 HydrophobicContact CD1-CD1 4.38Å; I207-L228 HydrophobicContact CD1-CD2 4.17Å; I207-L228 HydrophobicContact CG1-CD1 4.27Å; I207-F235 HydrophobicContact CD1-CE1 4.27Å; I207-F235 HydrophobicContact CG1-CE1 4.03Å; I207-F247 HydrophobicContact CD1-CB 4.04Å; I207-F247 HydrophobicContact CD1-CD1 4.44Å; I207-F247 HydrophobicContact CD1-CD2 4.46Å; I207-F247 HydrophobicContact CD1-CG 4.08Å; I207-F247 HydrophobicContact CG1-CD1 4.26Å; I207-F247 HydrophobicContact CG1-CG 4.35Å; I207-F247 HydrophobicContact CG2-CD1 4.17Å; I207-F247 HydrophobicContact CG2-CD2 3.84Å; I207-F247 HydrophobicContact CG2-CE1 3.85Å; I207-F247 HydrophobicContact CG2-CE2 3.48Å; I207-F247 VanDerWaalsContact CG2-CE2 3.48Å; I207-F247 HydrophobicContact CG2-CG 4.16Å; I207-F247 HydrophobicContact CG2-CZ 3.47Å; I207-F247 VanDerWaalsContact CG2-CZ 3.47Å; I207-F249 HydrophobicContact CD1-CE1 4.26Å; I207-W286 PolarHBondContact O-NE1 3.43Å; I207-F289 HydrophobicContact CD1-CE2 3.84Å
208	Y	98.5	Very high	93.4	Very high	34 Å²	34	42 Å²	42	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.7	-156.9	-178.1	-116.3	0	0	0	112	A173 R174 Y193 S194 S210 V217 L218 R219	A173-Y208 HydrophobicContact CB-CD1 3.64Å; A173-Y208 HydrophobicContact CB-CD2 4.29Å; A173-Y208 HydrophobicContact CB-CE1 3.84Å; A173-Y208 HydrophobicContact CB-CE2 4.45Å; A173-Y208 HydrophobicContact CB-CG 3.88Å; A173-Y208 WeakPolarHBondContact O-CD1 3.43Å; R174-Y208 HydrophobicContact CG-CD1 4.4Å; R174-Y208 HydrophobicContact CG-CE1 4.21Å; R174-Y208 PolarHBondContact NH2-OH 3.45Å; Y193-Y208 CarbonylContact C-O 3.56Å; S194-Y208 PolarHBondContact N-O 3.23Å; S194-Y208 PolarHBondContact O-N 3.18Å; S194-Y208 PolarHBondContact OG-O 2.91Å; Y208-S210 WeakPolarHBondContact CE1-OG 3.45Å; Y208-V217 HydrophobicContact CD2-CG1 4.44Å; Y208-V217 HydrophobicContact CE2-CG1 3.38Å; Y208-V217 VanDerWaalsContact OH-CG1 3.32Å; Y208-V217 WeakPolarHBondContact OH-CG1 3.48Å; Y208-L218 WeakPolarHBondContact CA-O 3.38Å; Y208-L218 VanDerWaalsContact CD2-O 3.26Å; Y208-L218 WeakPolarHBondContact CD2-O 3.21Å; Y208-R219 HydrophobicContact CD2-CB 4.05Å
209	R	98.4	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.1	172.5	-174.5	-167.4	75.2	-171.4	-5.8	111.4	D191 F192 Y193 P216 V217 L218 K272 D274 W286	D191-R209 HydrophobicContact CB-CG 3.72Å; D191-R209 VanDerWaalsContact OD2-CD 3.29Å; D191-R209 WeakPolarHBondContact OD2-CD 3.31Å; D191-R209 IonicContact OD2-CZ 3.49Å; D191-R209 IonicContact OD2-NE 3.49Å; D191-R209 PolarHBondContact OD2-NE 2.8Å; D191-R209 IonicContact OD2-NH1 2.8Å; F192-R209 VanDerWaalsContact O-CA 3.31Å; F192-R209 WeakPolarHBondContact O-CA 3.28Å; Y193-R209 HydrophobicContact CD1-CB 4.22Å; Y193-R209 HydrophobicContact CD1-CG 4.17Å; Y193-R209 HydrophobicContact CD2-CG 4.38Å; Y193-R209 HydrophobicContact CE1-CB 4.22Å; Y193-R209 HydrophobicContact CE1-CG 3.93Å; Y193-R209 HydrophobicContact CE2-CG 4.13Å; Y193-R209 HydrophobicContact CG-CG 4.37Å; Y193-R209 WeakPolarHBondContact OH-CD 3.4Å; R209-P216 PolarHBondContact NE-O 2.88Å; R209-P216 PolarHBondContact NH2-O 2.81Å; R209-V217 WeakPolarHBondContact O-CA 3.25Å; R209-L218 PolarHBondContact N-O 3.49Å; R209-L218 PolarHBondContact O-N 3.24Å; R209-K272 PolarHBondContact NH1-O 3.14Å; R209-D274 VanDerWaalsContact CZ-O 3.23Å; R209-D274 PolarHBondContact NH1-O 2.86Å; R209-D274 PolarHBondContact NH2-O 2.82Å; R209-W286 HydrophobicContact CB-CH2 3.41Å; R209-W286 VanDerWaalsContact CB-CH2 3.41Å; R209-W286 HydrophobicContact CB-CZ2 3.64Å; R209-W286 HydrophobicContact CG-CH2 4.23Å
210	S	97.6	Very high	94	Very high	2 Å²	2	42 Å²	42	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	-172.1	177.3	62.9	0	0	0	0	111.7	R174 F192 Y208 G212	R174-S210 PolarHBondContact NE-OG 3.3Å; R174-S210 PolarHBondContact NH2-OG 3.39Å; F192-S210 WeakPolarHBondContact CA-O 3.36Å; F192-S210 WeakPolarHBondContact CB-O 3.38Å; F192-S210 PolarHBondContact N-O 2.85Å; F192-S210 PolarHBondContact O-N 3.47Å; Y208-S210 WeakPolarHBondContact CE1-OG 3.45Å; S210-G212 PolarHBondContact O-N 2.82Å; S210-G212 VanDerWaalsContact O-N 3.11Å
211	L	95.4	Very high	94.4	Very high	45 Å²	45	39.9 Å²	39.9	24%	0.236	23%	0.229	C	C	.	.			trans	64.7	7.1	177.9	-46.8	-175.8	0	0	0	115.9	F143 V169 F187 F192	F143-L211 HydrophobicContact CE1-CD1 4.14Å; F143-L211 HydrophobicContact CE2-CD1 3.83Å; F143-L211 HydrophobicContact CZ-CD1 3.46Å; F143-L211 VanDerWaalsContact CZ-CD1 3.46Å; V169-L211 HydrophobicContact CG1-CD2 3.93Å; F187-L211 HydrophobicContact CZ-CD1 4.45Å; F192-L211 HydrophobicContact CB-CB 4.03Å; F192-L211 HydrophobicContact CB-CD1 3.97Å; F192-L211 HydrophobicContact CB-CG 4.16Å; F192-L211 HydrophobicContact CD1-CD1 4.36Å; F192-L211 HydrophobicContact CG-CD1 4.29Å
212	G	90.6	Very high	94.6	Very high	22 Å²	22	37.1 Å²	37.1	23%	0.227	21%	0.211	C	C	.	.			trans	-68.6	149.4	161.3	0	0	0	0	0	112.2	D191 S210	D191-G212 WeakPolarHBondContact OD1-CA 3.25Å; S210-G212 PolarHBondContact O-N 2.82Å; S210-G212 VanDerWaalsContact O-N 3.11Å
213	E	88	Confident	94.7	Very high	207 Å²	207	43 Å²	43	97%	0.967	23%	0.229	S	C	*	.	S	Bend	trans	-80.7	-37.7	179.8	-173.5	173	-168.2	0	0	112.3
214	S	86.8	Confident	94.8	Very high	115 Å²	115	42.9 Å²	42.9	80%	0.804	23%	0.225	S	C	*	.	S	Bend	trans	-117	-23.5	178.4	56.6	0	0	0	0	113.7
215	S	93.3	Very high	94.6	Very high	31 Å²	31	45.3 Å²	45.3	22%	0.217	24%	0.242	C	C	.	.	S	Bend	trans	-69.1	132.3	179.1	-66.2	0	0	0	0	112.6	D191	D191-S215 VanDerWaalsContact CG-OG 3.27Å; D191-S215 WeakPolarHBondContact OD1-CB 3.44Å; D191-S215 PolarHBondContact OD1-OG 3.48Å; D191-S215 VanDerWaalsContact OD1-OG 3.05Å; D191-S215 WeakPolarHBondContact OD2-CB 3.46Å; D191-S215 PolarHBondContact OD2-OG 2.79Å
216	P	95.6	Very high	94.5	Very high	29 Å²	29	47.9 Å²	47.9	19%	0.188	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-68.4	150.6	175.1	27.2	-32.5	0	0	0	111.7	R209 L218 N275	R209-P216 PolarHBondContact NE-O 2.88Å; R209-P216 PolarHBondContact NH2-O 2.81Å; P216-L218 PolarHBondContact O-N 2.74Å; P216-N275 WeakPolarHBondContact CD-OD1 3.41Å; P216-N275 HydrophobicContact CG-CB 4.17Å; P216-N275 WeakPolarHBondContact CG-O 3.47Å
217	V	97.7	Very high	94.3	Very high	70 Å²	70	47.9 Å²	47.9	42%	0.424	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.3	124.4	168.8	173.2	0	0	0	0	109.5	Y208 R209	Y208-V217 HydrophobicContact CD2-CG1 4.44Å; Y208-V217 HydrophobicContact CE2-CG1 3.38Å; Y208-V217 VanDerWaalsContact OH-CG1 3.32Å; Y208-V217 WeakPolarHBondContact OH-CG1 3.48Å; R209-V217 WeakPolarHBondContact O-CA 3.25Å
218	L	98.5	Very high	94.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.5	-179.7	-62.9	-179.3	0	0	0	111.4	Y208 R209 P216 D274 W286	Y208-L218 WeakPolarHBondContact CA-O 3.38Å; Y208-L218 VanDerWaalsContact CD2-O 3.26Å; Y208-L218 WeakPolarHBondContact CD2-O 3.21Å; R209-L218 PolarHBondContact N-O 3.49Å; R209-L218 PolarHBondContact O-N 3.24Å; P216-L218 PolarHBondContact O-N 2.74Å; L218-D274 HydrophobicContact CD1-CB 3.91Å; L218-D274 WeakPolarHBondContact CD1-O 3.48Å; L218-W286 HydrophobicContact CB-CD2 4.03Å; L218-W286 HydrophobicContact CB-CE3 4.09Å; L218-W286 HydrophobicContact CB-CH2 4.27Å; L218-W286 HydrophobicContact CB-CZ2 4.18Å; L218-W286 HydrophobicContact CB-CZ3 4.22Å; L218-W286 HydrophobicContact CD1-CD2 4.36Å; L218-W286 HydrophobicContact CD1-CE3 3.67Å; L218-W286 HydrophobicContact CD1-CZ3 3.78Å
219	R	97.9	Very high	93.4	Very high	45 Å²	45	50.4 Å²	50.4	17%	0.17	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.4	176.5	63.2	163.6	-68.2	148.8	7.4	113.3	D204 V206 I207 Y208 R284 Y285 W286	D204-R219 IonicContact OD1-CZ 3.12Å; D204-R219 IonicContact OD1-NH1 2.74Å; D204-R219 IonicContact OD1-NH2 2.7Å; D204-R219 PolarHBondContact OD1-NH2 2.04Å; D204-R219 IonicContact OD2-CZ 3.04Å; D204-R219 IonicContact OD2-NH1 2.84Å; D204-R219 PolarHBondContact OD2-NH1 2.71Å; D204-R219 IonicContact OD2-NH2 3.94Å; D204-R219 PolarHBondContact OD2-NH2 3.07Å; V206-R219 HydrophobicContact CG2-CB 3.7Å; I207-R219 CarbonylContact O-C 3.5Å; I207-R219 WeakPolarHBondContact O-CA 3.37Å; Y208-R219 HydrophobicContact CD2-CB 4.05Å; R219-R284 PolarHBondContact N-O 2.82Å; R219-Y285 HydrophobicContact CG-CD1 3.86Å; R219-Y285 HydrophobicContact CG-CE1 3.86Å; R219-Y285 VanDerWaalsContact O-CA 3.25Å; R219-Y285 WeakPolarHBondContact O-CA 3.34Å; R219-Y285 WeakPolarHBondContact O-CD1 3.15Å; R219-W286 VanDerWaalsContact O-CD1 3.3Å; R219-W286 PolarHBondContact O-N 2.89Å
220	T	97.9	Very high	91.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.6	151.8	163.4	48.1	0	0	0	0	111.4	V206 I207 K222 W227 L228 F289	V206-T220 WeakPolarHBondContact CA-OG1 3.49Å; I207-T220 HydrophobicContact CB-CG2 3.77Å; I207-T220 PolarHBondContact N-OG1 2.83Å; I207-T220 VanDerWaalsContact N-OG1 3.17Å; I207-T220 PolarHBondContact O-N 3.19Å; T220-K222 PolarHBondContact O-N 2.85Å; T220-W227 HydrophobicContact CG2-CE3 3.83Å; T220-W227 HydrophobicContact CG2-CZ3 4.18Å; T220-L228 HydrophobicContact CG2-CD1 4.07Å; T220-L228 HydrophobicContact CG2-CG 4.48Å; T220-F289 HydrophobicContact CG2-CD2 4.11Å; T220-F289 HydrophobicContact CG2-CE2 4.06Å; T220-F289 HydrophobicContact CG2-CG 4.4Å; T220-F289 HydrophobicContact CG2-CZ 4.31Å
221	V	96.6	Very high	90	Very high	23 Å²	23	57.7 Å²	57.7	14%	0.139	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-59.7	131.5	-179	177.9	0	0	0	0	110.7	D224 W227 L282 Y285	V221-D224 HydrophobicContact CB-CB 4.09Å; V221-D224 HydrophobicContact CG1-CB 3.76Å; V221-W227 HydrophobicContact CB-CD2 3.92Å; V221-W227 HydrophobicContact CB-CE3 4.39Å; V221-W227 HydrophobicContact CB-CG 4.11Å; V221-W227 HydrophobicContact CB-CZ2 4.44Å; V221-W227 HydrophobicContact CG2-CD2 3.85Å; V221-W227 VanDerWaalsContact CG2-CE2 3.46Å; V221-W227 HydrophobicContact CG2-CE3 4.21Å; V221-W227 HydrophobicContact CG2-CG 4.47Å; V221-W227 HydrophobicContact CG2-CH2 3.86Å; V221-W227 HydrophobicContact CG2-CZ2 3.47Å; V221-W227 VanDerWaalsContact CG2-CZ2 3.47Å; V221-W227 HydrophobicContact CG2-CZ3 4.22Å; V221-L282 HydrophobicContact CG2-CD2 3.92Å; V221-Y285 HydrophobicContact CB-CD1 4.38Å; V221-Y285 HydrophobicContact CG2-CD1 3.89Å; V221-Y285 HydrophobicContact CG2-CE1 4.41Å; V221-Y285 HydrophobicContact CG2-CG 4.18Å
222	K	93.2	Very high	88.7	Confident	84 Å²	84	59.1 Å²	59.1	37%	0.365	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	133.9	-176.1	-152.1	-170.4	-168.6	-160.2	0	110.7	D204 T220 D224	D204-K222 VanDerWaalsContact OD1-CG 3.31Å; D204-K222 WeakPolarHBondContact OD1-CG 3.38Å; D204-K222 WeakPolarHBondContact OD2-CE 3.23Å; T220-K222 PolarHBondContact O-N 2.85Å; K222-D224 PolarHBondContact O-N 2.84Å
223	Y	88.6	Confident	88.4	Confident	146 Å²	146	58.2 Å²	58.2	57%	0.573	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	9.8	177.5	-51.4	-52.8	0	0	0	116.4	D204 S225	D204-Y223 HydrophobicContact CB-CE1 4.34Å; Y223-S225 PolarHBondContact O-N 2.87Å
224	D	91.6	Very high	88.7	Confident	41 Å²	41	52.6 Å²	52.6	22%	0.219	27%	0.272	C	S	.	.			trans	-85.6	106.2	173.5	-169.4	-30.8	0	0	0	110.6	V221 K222 K226 W227 L228	V221-D224 HydrophobicContact CB-CB 4.09Å; V221-D224 HydrophobicContact CG1-CB 3.76Å; K222-D224 PolarHBondContact O-N 2.84Å; D224-K226 PolarHBondContact O-N 2.85Å; D224-K226 VanDerWaalsContact OD1-CB 3.26Å; D224-K226 WeakPolarHBondContact OD1-CB 3.31Å; D224-K226 PolarHBondContact OD1-N 2.8Å; D224-W227 HydrophobicContact CB-CB 4.33Å; D224-W227 HydrophobicContact CB-CG 4.31Å; D224-W227 VanDerWaalsContact CG-CD1 3.49Å; D224-W227 WeakPolarHBondContact O-CB 3.38Å; D224-W227 PolarHBondContact O-N 2.84Å; D224-W227 VanDerWaalsContact O-N 3.08Å; D224-L228 PolarHBondContact O-N 3.01Å
225	S	89.9	Confident	89.1	Confident	52 Å²	52	47.4 Å²	47.4	36%	0.364	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.4	-178.4	73.6	0	0	0	0	114.7	Y223 W227 V254	Y223-S225 PolarHBondContact O-N 2.87Å; S225-W227 VanDerWaalsContact C-N 3.32Å; S225-V254 WeakPolarHBondContact O-CG1 3.49Å
226	K	91.8	Very high	89.3	Confident	58 Å²	58	47.2 Å²	47.2	25%	0.252	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-38	169.9	-64.8	-177.8	165.8	-172.5	0	110.5	D224 K291 S407 P409	D224-K226 PolarHBondContact O-N 2.85Å; D224-K226 VanDerWaalsContact OD1-CB 3.26Å; D224-K226 WeakPolarHBondContact OD1-CB 3.31Å; D224-K226 PolarHBondContact OD1-N 2.8Å; K226-K291 WeakPolarHBondContact O-CE 3.33Å; K226-K291 PolarHBondContact O-NZ 2.67Å; K226-S407 WeakPolarHBondContact CD-O 3.08Å; K226-S407 PolarHBondContact NZ-O 3.3Å; K226-P409 HydrophobicContact CB-CG 3.98Å
227	W	94.7	Very high	89.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-62.6	178.8	-78.1	64.6	0	0	0	111.6	T220 V221 D224 S225 L282 W286 F289 K291 K406 P409	T220-W227 HydrophobicContact CG2-CE3 3.83Å; T220-W227 HydrophobicContact CG2-CZ3 4.18Å; V221-W227 HydrophobicContact CB-CD2 3.92Å; V221-W227 HydrophobicContact CB-CE3 4.39Å; V221-W227 HydrophobicContact CB-CG 4.11Å; V221-W227 HydrophobicContact CB-CZ2 4.44Å; V221-W227 HydrophobicContact CG2-CD2 3.85Å; V221-W227 VanDerWaalsContact CG2-CE2 3.46Å; V221-W227 HydrophobicContact CG2-CE3 4.21Å; V221-W227 HydrophobicContact CG2-CG 4.47Å; V221-W227 HydrophobicContact CG2-CH2 3.86Å; V221-W227 HydrophobicContact CG2-CZ2 3.47Å; V221-W227 VanDerWaalsContact CG2-CZ2 3.47Å; V221-W227 HydrophobicContact CG2-CZ3 4.22Å; D224-W227 HydrophobicContact CB-CB 4.33Å; D224-W227 HydrophobicContact CB-CG 4.31Å; D224-W227 VanDerWaalsContact CG-CD1 3.49Å; D224-W227 WeakPolarHBondContact O-CB 3.38Å; D224-W227 PolarHBondContact O-N 2.84Å; D224-W227 VanDerWaalsContact O-N 3.08Å; S225-W227 VanDerWaalsContact C-N 3.32Å; W227-L282 HydrophobicContact CH2-CD2 4.23Å; W227-L282 HydrophobicContact CZ2-CD2 4.03Å; W227-W286 HydrophobicContact CH2-CB 4.31Å; W227-W286 WeakPolarHBondContact CH2-O 3.46Å; W227-W286 HydrophobicContact CZ3-CB 4.11Å; W227-F289 HydrophobicContact CB-CE1 4.32Å; W227-F289 AromaticContact CD2-CD1 3.94Å; W227-F289 HydrophobicContact CD2-CD1 3.94Å; W227-F289 HydrophobicContact CD2-CE1 4.25Å; W227-F289 HydrophobicContact CE3-CB 4.3Å; W227-F289 AromaticContact CE3-CD1 3.34Å; W227-F289 HydrophobicContact CE3-CD1 3.34Å; W227-F289 AromaticContact CE3-CE1 3.82Å; W227-F289 HydrophobicContact CE3-CE1 3.82Å; W227-F289 AromaticContact CE3-CG 3.93Å; W227-F289 HydrophobicContact CE3-CG 3.93Å; W227-F289 HydrophobicContact CG-CE1 4.49Å; W227-F289 HydrophobicContact CH2-CB 4.19Å; W227-F289 HydrophobicContact CH2-CD1 4.42Å; W227-F289 HydrophobicContact CZ3-CB 3.68Å; W227-F289 AromaticContact CZ3-CD1 3.63Å; W227-F289 HydrophobicContact CZ3-CD1 3.63Å; W227-F289 AromaticContact CZ3-CG 3.81Å; W227-F289 HydrophobicContact CZ3-CG 3.81Å; W227-K291 PolarHBondContact O-NZ 2.86Å; W227-K406 PolarHBondContact NE1-O 2.93Å; W227-P409 HydrophobicContact CG-CG 4.3Å
228	L	93.2	Very high	89.4	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	21%	0.209	C	C	.	.			trans	-142.2	126.5	175.5	-68.8	175.9	0	0	0	108.7	I207 T220 D224 A230 F235 F249 F289	I207-L228 HydrophobicContact CD1-CD1 4.38Å; I207-L228 HydrophobicContact CD1-CD2 4.17Å; I207-L228 HydrophobicContact CG1-CD1 4.27Å; T220-L228 HydrophobicContact CG2-CD1 4.07Å; T220-L228 HydrophobicContact CG2-CG 4.48Å; D224-L228 PolarHBondContact O-N 3.01Å; L228-A230 PolarHBondContact O-N 2.89Å; L228-F235 HydrophobicContact CD1-CZ 4.24Å; L228-F235 HydrophobicContact CD2-CE1 4.48Å; L228-F249 HydrophobicContact CD2-CD2 4.49Å; L228-F249 HydrophobicContact CD2-CE1 4.42Å; L228-F249 HydrophobicContact CD2-CE2 3.68Å; L228-F249 HydrophobicContact CD2-CZ 3.64Å; L228-F289 HydrophobicContact CD2-CZ 4.34Å
229	R	84.6	Confident	89.3	Confident	82 Å²	82	44.2 Å²	44.2	31%	0.309	21%	0.211	S	C	.	.			trans	-77.9	76.1	176.1	-170.4	138.6	172.9	128.8	-2.3	111.1	L231 E232 E251 I252	R229-L231 PolarHBondContact O-N 2.85Å; R229-E232 PolarHBondContact O-N 3.41Å; R229-E251 PolarHBondContact N-OE2 3.24Å; R229-I252 HydrophobicContact CG-CB 3.99Å; R229-I252 HydrophobicContact CG-CD1 4.41Å
230	A	62	Low	89.3	Confident	19 Å²	19	46 Å²	46	16%	0.157	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-20.3	-157.8	0	0	0	0	0	118.3	A205 L228 E232 P233	A205-A230 HydrophobicContact CB-CB 4.05Å; L228-A230 PolarHBondContact O-N 2.89Å; A230-E232 VanDerWaalsContact C-N 3.31Å; A230-E232 PolarHBondContact O-N 3.46Å; A230-P233 VanDerWaalsContact O-CD 3.23Å; A230-P233 WeakPolarHBondContact O-CD 3.46Å
231	L	63	Low	89.2	Confident	135 Å²	135	49.3 Å²	49.3	71%	0.707	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.6	179.7	-158.8	74.6	0	0	0	113.2	R229	R229-L231 PolarHBondContact O-N 2.85Å
232	E	67.4	Low	89.2	Confident	75 Å²	75	50.6 Å²	50.6	35%	0.35	25%	0.252	S	S	.	.	S	Bend	trans	-144.4	31	-170.1	-59.4	-176.4	-148.9	0	0	117.1	R229 A230 H234 I252 K261	R229-E232 PolarHBondContact O-N 3.41Å; A230-E232 VanDerWaalsContact C-N 3.31Å; A230-E232 PolarHBondContact O-N 3.46Å; E232-H234 PolarHBondContact O-N 3.47Å; E232-I252 HydrophobicContact CB-CD1 4.24Å; E232-I252 HydrophobicContact CB-CG1 4.25Å; E232-I252 HydrophobicContact CG-CD1 4.19Å; E232-K261 WeakPolarHBondContact OE1-CE 3.41Å; E232-K261 IonicContact OE1-NZ 3.68Å; E232-K261 PolarHBondContact OE1-NZ 2.99Å; E232-K261 WeakPolarHBondContact OE2-CE 3.24Å; E232-K261 IonicContact OE2-NZ 3.38Å; E232-K261 PolarHBondContact OE2-NZ 2.92Å
233	P	83.6	Confident	89.3	Confident	4 Å²	4	50 Å²	50	3%	0.026	25%	0.253	C	S	.	.			trans	-76.9	118.3	174.4	31.5	-30.8	0	0	0	111.6	M197 A205 A230 F235 S250	M197-P233 HydrophobicContact CE-CG 4.42Å; A205-P233 HydrophobicContact CB-CG 3.29Å; A230-P233 VanDerWaalsContact O-CD 3.23Å; A230-P233 WeakPolarHBondContact O-CD 3.46Å; P233-F235 HydrophobicContact CB-CE1 4.16Å; P233-F235 HydrophobicContact CB-CE2 4.26Å; P233-F235 HydrophobicContact CB-CZ 3.89Å; P233-F235 HydrophobicContact CG-CE2 4.07Å; P233-F235 HydrophobicContact CG-CZ 3.94Å; P233-S250 CarbonylContact C-O 3.47Å; P233-S250 VanDerWaalsContact CA-O 3.3Å; P233-S250 WeakPolarHBondContact CA-O 3.28Å
234	H	93.8	Very high	89.8	Confident	88 Å²	88	44.5 Å²	44.5	41%	0.407	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	97.3	174.6	-166.3	61.7	0	0	0	110	S182 E232 F249 S250	S182-H234 VanDerWaalsContact CB-ND1 3.34Å; S182-H234 WeakPolarHBondContact CB-ND1 3.32Å; S182-H234 WeakPolarHBondContact OG-CA 3.31Å; S182-H234 PolarHBondContact OG-ND1 3.29Å; E232-H234 PolarHBondContact O-N 3.47Å; H234-F249 CarbonylContact O-C 3.49Å; H234-F249 WeakPolarHBondContact O-CA 3.22Å; H234-F249 VanDerWaalsContact O-CB 3.3Å; H234-F249 WeakPolarHBondContact O-CB 3.41Å; H234-S250 PolarHBondContact N-O 3.06Å; H234-S250 PolarHBondContact O-N 3.18Å
235	F	96.8	Very high	90.1	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.9	-178.9	-58.6	-66	0	0	0	111.2	S182 V184 A195 A205 I207 L228 P233 F249	S182-F235 WeakPolarHBondContact CB-O 3.38Å; S182-F235 PolarHBondContact OG-N 3.11Å; V184-F235 HydrophobicContact CG2-CB 3.88Å; A195-F235 HydrophobicContact CB-CB 4.14Å; A195-F235 HydrophobicContact CB-CD1 3.53Å; A195-F235 HydrophobicContact CB-CD2 4.09Å; A195-F235 HydrophobicContact CB-CE1 3.85Å; A195-F235 HydrophobicContact CB-CE2 4.36Å; A195-F235 HydrophobicContact CB-CG 3.66Å; A195-F235 HydrophobicContact CB-CZ 4.25Å; A205-F235 HydrophobicContact CB-CE2 4.27Å; A205-F235 HydrophobicContact CB-CZ 4.24Å; I207-F235 HydrophobicContact CD1-CE1 4.27Å; I207-F235 HydrophobicContact CG1-CE1 4.03Å; L228-F235 HydrophobicContact CD1-CZ 4.24Å; L228-F235 HydrophobicContact CD2-CE1 4.48Å; P233-F235 HydrophobicContact CB-CE1 4.16Å; P233-F235 HydrophobicContact CB-CE2 4.26Å; P233-F235 HydrophobicContact CB-CZ 3.89Å; P233-F235 HydrophobicContact CG-CE2 4.07Å; P233-F235 HydrophobicContact CG-CZ 3.94Å; F235-F249 HydrophobicContact CD1-CB 3.78Å; F235-F249 HydrophobicContact CD1-CG 4.18Å; F235-F249 HydrophobicContact CE1-CB 4.42Å; F235-F249 HydrophobicContact CE1-CG 4.38Å
236	L	96.1	Very high	90.5	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.147	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-52.2	-166.4	-74.2	147.3	0	0	0	112.6	F248 L309 Q310	L236-F248 WeakPolarHBondContact CB-O 3.39Å; L236-F248 PolarHBondContact N-O 3.26Å; L236-L309 HydrophobicContact CB-CD2 4.42Å; L236-L309 HydrophobicContact CD1-CB 3.81Å; L236-L309 HydrophobicContact CD1-CD2 3.83Å; L236-L309 HydrophobicContact CD1-CG 3.83Å; L236-L309 WeakPolarHBondContact CD1-O 3.35Å; L236-Q310 WeakPolarHBondContact CD2-O 3.37Å
237	H	97.4	Very high	90.9	Very high	21 Å²	21	37.5 Å²	37.5	10%	0.097	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	164.2	-179.1	-158.6	32.9	0	0	0	112.5	F248 L312 T313 N314	H237-F248 HydrophobicContact CB-CB 4.46Å; H237-F248 PolarHBondContact N-O 2.99Å; H237-F248 PolarHBondContact O-N 2.92Å; H237-L312 HydrophobicContact CB-CB 4.13Å; H237-L312 HydrophobicContact CB-CD2 4.23Å; H237-T313 PolarHBondContact CD2-O 3.14Å; H237-N314 PolarHBondContact CE1-OD1 2.7Å; H237-N314 PolarHBondContact NE2-OD1 3.18Å
238	A	98	Very high	91.1	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.7	167.7	0	0	0	0	0	111.1	V184 L186 Y246 F247	V184-A238 HydrophobicContact CG1-CB 3.37Å; L186-A238 VanDerWaalsContact CD2-C 3.4Å; L186-A238 HydrophobicContact CD2-CB 3.61Å; L186-A238 WeakPolarHBondContact CD2-O 3.47Å; L186-A238 HydrophobicContact CG-CB 4.5Å; A238-Y246 CarbonylContact C-O 3.57Å; A238-Y246 WeakPolarHBondContact CA-O 3.41Å; A238-Y246 WeakPolarHBondContact CB-O 3.41Å; A238-F247 HydrophobicContact CB-CD1 3.84Å; A238-F247 HydrophobicContact CB-CE1 4.15Å; A238-F247 HydrophobicContact CB-CG 4.35Å
239	I	97.5	Very high	91.3	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.5	-168.6	-65.9	179.9	0	0	0	109.3	V245 Y246 F248 L312 V315 V324	I239-V245 WeakPolarHBondContact O-CA 3.34Å; I239-Y246 PolarHBondContact N-O 3.29Å; I239-Y246 PolarHBondContact O-N 3.17Å; I239-F248 HydrophobicContact CB-CE2 4.39Å; I239-F248 HydrophobicContact CD1-CE2 3.87Å; I239-F248 HydrophobicContact CD1-CZ 4.44Å; I239-F248 HydrophobicContact CG1-CE2 4.17Å; I239-L312 HydrophobicContact CD1-CD2 4.42Å; I239-V315 HydrophobicContact CD1-CG2 4.21Å; I239-V315 HydrophobicContact CG2-CG2 3.55Å; I239-V324 HydrophobicContact CD1-CG1 3.53Å
240	E	97.1	Very high	91.8	Very high	83 Å²	83	33.6 Å²	33.6	39%	0.388	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.3	161.8	176.6	168.2	-157	0	0	109.5	A188 K272	A188-E240 VanDerWaalsContact CA-OE2 3.31Å; A188-E240 WeakPolarHBondContact CA-OE2 3.47Å; A188-E240 HydrophobicContact CB-CB 3.96Å; A188-E240 VanDerWaalsContact CB-CD 3.48Å; A188-E240 HydrophobicContact CB-CG 4.03Å; A188-E240 WeakPolarHBondContact CB-OE2 3.24Å; E240-K272 HydrophobicContact CG-CD 4.15Å; E240-K272 WeakPolarHBondContact OE1-CD 3.22Å; E240-K272 WeakPolarHBondContact OE1-CE 3.43Å; E240-K272 IonicContact OE1-NZ 3.81Å; E240-K272 PolarHBondContact OE1-NZ 2.98Å
241	Y	97.1	Very high	93.4	Very high	69 Å²	69	32.7 Å²	32.7	27%	0.271	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	129.1	174.5	-179	-96.1	0	0	0	111.4	N243 Y244 Y246 V315 P322 M345	Y241-N243 PolarHBondContact O-N 3.27Å; Y241-Y244 PolarHBondContact N-O 3.25Å; Y241-Y244 VanDerWaalsContact N-O 3.08Å; Y241-Y244 PolarHBondContact O-N 2.61Å; Y241-Y246 HydrophobicContact CD1-CE2 4.14Å; Y241-Y246 HydrophobicContact CG-CE2 4.46Å; Y241-Y246 WeakPolarHBondContact O-CE2 3.49Å; Y241-V315 HydrophobicContact CD2-CG2 4.3Å; Y241-P322 HydrophobicContact CE2-CB 4.09Å; Y241-P322 HydrophobicContact CE2-CG 4.43Å; Y241-P322 WeakPolarHBondContact OH-CG 3.16Å; Y241-M345 HydrophobicContact CD1-CB 4.17Å; Y241-M345 HydrophobicContact CD1-CE 3.69Å; Y241-M345 HydrophobicContact CD1-CG 4.28Å; Y241-M345 HydrophobicContact CD2-CG 4.5Å; Y241-M345 HydrophobicContact CE1-CB 3.59Å; Y241-M345 HydrophobicContact CE1-CE 4.28Å; Y241-M345 HydrophobicContact CE1-CG 4.04Å; Y241-M345 HydrophobicContact CE2-CG 4.27Å; Y241-M345 HydrophobicContact CG-CE 3.96Å; Y241-M345 HydrophobicContact CG-CG 4.5Å
242	G	95.4	Very high	94.8	Very high	50 Å²	50	26.7 Å²	26.7	52%	0.515	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-130	-173.1	0	0	0	0	0	112	K272	G242-K272 WeakPolarHBondContact O-CE 3.43Å; G242-K272 PolarHBondContact O-NZ 2.76Å
243	N	96.1	Very high	96	Very high	72 Å²	72	23.1 Å²	23.1	39%	0.385	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.4	179	-74.3	-14.5	0	0	0	114.4	Y241 K272 E385	Y241-N243 PolarHBondContact O-N 3.27Å; N243-K272 PolarHBondContact O-N 2.84Å; N243-E385 WeakPolarHBondContact ND2-CG 3.38Å; N243-E385 PolarHBondContact ND2-OE1 3.24Å
244	Y	98.3	Very high	96.2	Very high	31 Å²	31	23.2 Å²	23.2	12%	0.122	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	160.7	-171.4	-54.3	-84.6	0	0	0	113.4	Y241 Y246 R269 V270 C271 E349 C382	Y241-Y244 PolarHBondContact N-O 3.25Å; Y241-Y244 VanDerWaalsContact N-O 3.08Å; Y241-Y244 PolarHBondContact O-N 2.61Å; Y244-Y246 WeakPolarHBondContact CD2-OH 3.5Å; Y244-R269 HydrophobicContact CD1-CB 4.34Å; Y244-R269 HydrophobicContact CD1-CG 4.13Å; Y244-R269 HydrophobicContact CE1-CG 4.42Å; Y244-R269 PolarHBondContact OH-NH2 3.11Å; Y244-V270 CarbonylContact C-O 3.28Å; Y244-V270 WeakPolarHBondContact CA-O 3.29Å; Y244-V270 WeakPolarHBondContact CB-O 3.36Å; Y244-C271 VanDerWaalsContact CE1-SG 3.51Å; Y244-E349 VanDerWaalsContact CE2-OE2 3.27Å; Y244-E349 WeakPolarHBondContact CE2-OE2 3.22Å; Y244-C382 WeakPolarHBondContact CE1-SG 3.17Å
245	V	98.6	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.9	158.2	-179.2	0	0	0	0	108.1	L186 A188 Y193 I239 F247 R269 V270 K272	L186-V245 HydrophobicContact CD1-CG1 4.21Å; L186-V245 HydrophobicContact CD2-CG1 4.38Å; A188-V245 HydrophobicContact CB-CG2 3.69Å; Y193-V245 HydrophobicContact CD1-CB 4.01Å; Y193-V245 HydrophobicContact CD1-CG1 4.14Å; Y193-V245 HydrophobicContact CD1-CG2 3.88Å; Y193-V245 HydrophobicContact CD2-CG2 4.01Å; Y193-V245 HydrophobicContact CE1-CB 4.18Å; Y193-V245 HydrophobicContact CE1-CG2 3.81Å; Y193-V245 HydrophobicContact CE2-CG2 3.95Å; Y193-V245 HydrophobicContact CG-CB 4.39Å; Y193-V245 HydrophobicContact CG-CG1 4.19Å; Y193-V245 HydrophobicContact CG-CG2 4Å; I239-V245 WeakPolarHBondContact O-CA 3.34Å; V245-F247 HydrophobicContact CB-CE2 4.31Å; V245-F247 HydrophobicContact CG1-CD2 4.38Å; V245-F247 HydrophobicContact CG1-CE2 3.8Å; V245-F247 HydrophobicContact CG1-CZ 4.02Å; V245-R269 WeakPolarHBondContact O-CA 3.3Å; V245-V270 HydrophobicContact CB-CG2 4.17Å; V245-V270 PolarHBondContact N-O 3.35Å; V245-V270 PolarHBondContact O-N 2.75Å; V245-K272 HydrophobicContact CG2-CD 4.39Å; V245-K272 HydrophobicContact CG2-CG 3.9Å
246	Y	98.8	Very high	95.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.8	178.6	-58.4	-97	0	0	0	110.2	A238 I239 Y241 Y244 V267 A268 R269 M345 I348 E349 F352	A238-Y246 CarbonylContact C-O 3.57Å; A238-Y246 WeakPolarHBondContact CA-O 3.41Å; A238-Y246 WeakPolarHBondContact CB-O 3.41Å; I239-Y246 PolarHBondContact N-O 3.29Å; I239-Y246 PolarHBondContact O-N 3.17Å; Y241-Y246 HydrophobicContact CD1-CE2 4.14Å; Y241-Y246 HydrophobicContact CG-CE2 4.46Å; Y241-Y246 WeakPolarHBondContact O-CE2 3.49Å; Y244-Y246 WeakPolarHBondContact CD2-OH 3.5Å; Y246-V267 HydrophobicContact CD1-CG2 4.05Å; Y246-A268 CarbonylContact C-O 3.57Å; Y246-A268 WeakPolarHBondContact CA-O 3.4Å; Y246-R269 HydrophobicContact CD1-CB 3.81Å; Y246-R269 HydrophobicContact CE1-CB 3.87Å; Y246-M345 HydrophobicContact CD2-CE 4.05Å; Y246-M345 HydrophobicContact CE1-CE 4.36Å; Y246-M345 HydrophobicContact CE2-CE 3.92Å; Y246-M345 HydrophobicContact CG-CE 4.36Å; Y246-I348 HydrophobicContact CD1-CG2 4.03Å; Y246-I348 HydrophobicContact CE1-CG2 3.82Å; Y246-E349 VanDerWaalsContact OH-CD 3.26Å; Y246-E349 WeakPolarHBondContact OH-CG 3.39Å; Y246-E349 PolarHBondContact OH-OE1 3.04Å; Y246-E349 VanDerWaalsContact OH-OE1 3.05Å; Y246-F352 HydrophobicContact CD1-CE2 4.22Å; Y246-F352 HydrophobicContact CE1-CE2 4.07Å
247	F	98.8	Very high	94.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.7	177.1	-66.7	-94.4	0	0	0	110	Y193 A195 I207 A238 V245 V267 A268 V270	Y193-F247 HydrophobicContact CD1-CE2 4.46Å; Y193-F247 HydrophobicContact CD1-CZ 4.16Å; A195-F247 HydrophobicContact CB-CD1 3.94Å; A195-F247 HydrophobicContact CB-CE1 4.1Å; I207-F247 HydrophobicContact CD1-CB 4.04Å; I207-F247 HydrophobicContact CD1-CD1 4.44Å; I207-F247 HydrophobicContact CD1-CD2 4.46Å; I207-F247 HydrophobicContact CD1-CG 4.08Å; I207-F247 HydrophobicContact CG1-CD1 4.26Å; I207-F247 HydrophobicContact CG1-CG 4.35Å; I207-F247 HydrophobicContact CG2-CD1 4.17Å; I207-F247 HydrophobicContact CG2-CD2 3.84Å; I207-F247 HydrophobicContact CG2-CE1 3.85Å; I207-F247 HydrophobicContact CG2-CE2 3.48Å; I207-F247 VanDerWaalsContact CG2-CE2 3.48Å; I207-F247 HydrophobicContact CG2-CG 4.16Å; I207-F247 HydrophobicContact CG2-CZ 3.47Å; I207-F247 VanDerWaalsContact CG2-CZ 3.47Å; A238-F247 HydrophobicContact CB-CD1 3.84Å; A238-F247 HydrophobicContact CB-CE1 4.15Å; A238-F247 HydrophobicContact CB-CG 4.35Å; V245-F247 HydrophobicContact CB-CE2 4.31Å; V245-F247 HydrophobicContact CG1-CD2 4.38Å; V245-F247 HydrophobicContact CG1-CE2 3.8Å; V245-F247 HydrophobicContact CG1-CZ 4.02Å; F247-V267 CarbonylContact O-C 3.59Å; F247-V267 WeakPolarHBondContact O-CA 3.31Å; F247-A268 PolarHBondContact N-O 3.2Å; F247-A268 PolarHBondContact O-N 3.01Å; F247-V270 HydrophobicContact CE2-CG2 3.93Å
248	F	98.7	Very high	93.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.6	-178.6	-63	-95.5	0	0	0	109.4	L236 H237 I239 R266 V267 L294 L309 L312 V324 I348	L236-F248 WeakPolarHBondContact CB-O 3.39Å; L236-F248 PolarHBondContact N-O 3.26Å; H237-F248 HydrophobicContact CB-CB 4.46Å; H237-F248 PolarHBondContact N-O 2.99Å; H237-F248 PolarHBondContact O-N 2.92Å; I239-F248 HydrophobicContact CB-CE2 4.39Å; I239-F248 HydrophobicContact CD1-CE2 3.87Å; I239-F248 HydrophobicContact CD1-CZ 4.44Å; I239-F248 HydrophobicContact CG1-CE2 4.17Å; F248-R266 WeakPolarHBondContact CA-O 3.37Å; F248-V267 HydrophobicContact CD1-CB 3.92Å; F248-V267 HydrophobicContact CD1-CG2 3.99Å; F248-V267 HydrophobicContact CE1-CB 3.72Å; F248-V267 HydrophobicContact CE1-CG2 3.5Å; F248-V267 HydrophobicContact CE2-CG2 4.27Å; F248-V267 HydrophobicContact CZ-CB 4.39Å; F248-V267 HydrophobicContact CZ-CG2 3.67Å; F248-L294 HydrophobicContact CD1-CD1 4.13Å; F248-L309 HydrophobicContact CB-CD2 4.18Å; F248-L312 HydrophobicContact CB-CD2 3.89Å; F248-L312 HydrophobicContact CD1-CD2 3.49Å; F248-L312 VanDerWaalsContact CD1-CD2 3.49Å; F248-L312 HydrophobicContact CD2-CD2 3.51Å; F248-L312 HydrophobicContact CE1-CD2 3.78Å; F248-L312 HydrophobicContact CE2-CD2 3.81Å; F248-L312 HydrophobicContact CG-CD2 3.34Å; F248-L312 HydrophobicContact CZ-CD2 3.94Å; F248-V324 HydrophobicContact CE1-CG2 4.29Å; F248-V324 HydrophobicContact CZ-CG2 4.32Å; F248-I348 HydrophobicContact CE1-CD1 4.4Å; F248-I348 HydrophobicContact CZ-CD1 4.36Å
249	F	97.9	Very high	93	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	159.7	-174.1	63	-82.3	0	0	0	111.7	I207 L228 H234 F235 E251 R266 A268 K291	I207-F249 HydrophobicContact CD1-CE1 4.26Å; L228-F249 HydrophobicContact CD2-CD2 4.49Å; L228-F249 HydrophobicContact CD2-CE1 4.42Å; L228-F249 HydrophobicContact CD2-CE2 3.68Å; L228-F249 HydrophobicContact CD2-CZ 3.64Å; H234-F249 CarbonylContact O-C 3.49Å; H234-F249 WeakPolarHBondContact O-CA 3.22Å; H234-F249 VanDerWaalsContact O-CB 3.3Å; H234-F249 WeakPolarHBondContact O-CB 3.41Å; F235-F249 HydrophobicContact CD1-CB 3.78Å; F235-F249 HydrophobicContact CD1-CG 4.18Å; F235-F249 HydrophobicContact CE1-CB 4.42Å; F235-F249 HydrophobicContact CE1-CG 4.38Å; F249-E251 HydrophobicContact CD2-CB 4.2Å; F249-E251 HydrophobicContact CD2-CG 4.45Å; F249-E251 HydrophobicContact CE2-CB 4.11Å; F249-E251 HydrophobicContact CE2-CG 4.01Å; F249-R266 HydrophobicContact CD1-CB 4.18Å; F249-R266 HydrophobicContact CD2-CB 4.26Å; F249-R266 HydrophobicContact CD2-CG 4.33Å; F249-R266 HydrophobicContact CE1-CB 3.86Å; F249-R266 HydrophobicContact CE2-CB 3.95Å; F249-R266 HydrophobicContact CE2-CG 3.83Å; F249-R266 HydrophobicContact CG-CB 4.37Å; F249-R266 HydrophobicContact CZ-CB 3.74Å; F249-R266 HydrophobicContact CZ-CG 3.98Å; F249-R266 PolarHBondContact N-O 2.96Å; F249-R266 VanDerWaalsContact N-O 3.17Å; F249-R266 PolarHBondContact O-N 2.96Å; F249-A268 HydrophobicContact CE1-CB 3.81Å; F249-A268 HydrophobicContact CZ-CB 4.49Å; F249-K291 HydrophobicContact CZ-CD 4.12Å
250	S	95.6	Very high	92.3	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.2	166.4	-65.7	0	0	0	0	110.1	P233 H234 F264 S265	P233-S250 CarbonylContact C-O 3.47Å; P233-S250 VanDerWaalsContact CA-O 3.3Å; P233-S250 WeakPolarHBondContact CA-O 3.28Å; H234-S250 PolarHBondContact N-O 3.06Å; H234-S250 PolarHBondContact O-N 3.18Å; S250-F264 WeakPolarHBondContact CA-O 3.26Å; S250-S265 PolarHBondContact OG-OG 3.32Å
251	E	94.6	Very high	91.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	167	175.1	65.4	170.1	178.3	0	0	111.4	R229 F249 A253 V263 F264 R266 K291	R229-E251 PolarHBondContact N-OE2 3.24Å; F249-E251 HydrophobicContact CD2-CB 4.2Å; F249-E251 HydrophobicContact CD2-CG 4.45Å; F249-E251 HydrophobicContact CE2-CB 4.11Å; F249-E251 HydrophobicContact CE2-CG 4.01Å; E251-A253 PolarHBondContact O-N 3.45Å; E251-V263 CarbonylContact O-C 3.54Å; E251-V263 VanDerWaalsContact O-CA 3.29Å; E251-V263 WeakPolarHBondContact O-CA 3.34Å; E251-V263 WeakPolarHBondContact O-CG1 3.37Å; E251-F264 PolarHBondContact N-O 3.41Å; E251-F264 PolarHBondContact O-N 3.21Å; E251-R266 HydrophobicContact CG-CG 3.95Å; E251-R266 IonicContact OE1-CZ 3.58Å; E251-R266 IonicContact OE1-NE 2.73Å; E251-R266 PolarHBondContact OE1-NE 3.25Å; E251-R266 IonicContact OE1-NH2 3.3Å; E251-R266 PolarHBondContact OE1-NH2 2.91Å; E251-R266 VanDerWaalsContact OE1-NH2 3.12Å; E251-K291 VanDerWaalsContact OE1-CE 3.26Å; E251-K291 WeakPolarHBondContact OE1-CE 3.16Å; E251-K291 IonicContact OE1-NZ 3.18Å; E251-K291 PolarHBondContact OE1-NZ 2.88Å; E251-K291 IonicContact OE2-NZ 2.75Å; E251-K291 PolarHBondContact OE2-NZ 3.42Å
252	I	92.9	Very high	91.5	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124.1	166.1	-57.8	168.8	0	0	0	109.3	R229 E232 V254 T257 K261 V262	R229-I252 HydrophobicContact CG-CB 3.99Å; R229-I252 HydrophobicContact CG-CD1 4.41Å; E232-I252 HydrophobicContact CB-CD1 4.24Å; E232-I252 HydrophobicContact CB-CG1 4.25Å; E232-I252 HydrophobicContact CG-CD1 4.19Å; I252-V254 PolarHBondContact O-N 3.46Å; I252-V254 VanDerWaalsContact O-N 3.14Å; I252-T257 HydrophobicContact CG2-CG2 4.49Å; I252-K261 HydrophobicContact CD1-CD 4.2Å; I252-K261 HydrophobicContact CD1-CG 4.18Å; I252-K261 HydrophobicContact CG1-CG 4.2Å; I252-K261 HydrophobicContact CG2-CG 4.15Å; I252-V262 CarbonylContact C-O 3.56Å; I252-V262 WeakPolarHBondContact CA-O 3.34Å
253	A	92.6	Very high	91.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.			trans	-69.2	103.2	178.4	0	0	0	0	0	111.4	E251 E255 Y256 T257 V262 F264	E251-A253 PolarHBondContact O-N 3.45Å; A253-E255 WeakPolarHBondContact CA-OE2 3.38Å; A253-E255 PolarHBondContact O-N 3.05Å; A253-Y256 PolarHBondContact O-N 2.67Å; A253-T257 PolarHBondContact O-N 2.69Å; A253-V262 PolarHBondContact N-O 3.38Å; A253-F264 HydrophobicContact CB-CB 4.13Å; A253-F264 HydrophobicContact CB-CD1 4.38Å; A253-F264 HydrophobicContact CB-CD2 3.32Å; A253-F264 HydrophobicContact CB-CE2 3.73Å; A253-F264 HydrophobicContact CB-CG 3.68Å; A253-F264 HydrophobicContact CB-CZ 4.4Å
254	V	88.6	Confident	91.4	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.042	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-55.7	-35.9	175.9	-72.4	0	0	0	0	112.1	S225 I252 Y256 T257 W366 L410	S225-V254 WeakPolarHBondContact O-CG1 3.49Å; I252-V254 PolarHBondContact O-N 3.46Å; I252-V254 VanDerWaalsContact O-N 3.14Å; V254-Y256 VanDerWaalsContact C-N 3.25Å; V254-Y256 PolarHBondContact O-N 3.23Å; V254-T257 PolarHBondContact O-N 2.81Å; V254-T257 PolarHBondContact O-OG1 3.15Å; V254-W366 HydrophobicContact CB-CH2 4.42Å; V254-W366 HydrophobicContact CB-CZ2 4.11Å; V254-W366 HydrophobicContact CG2-CH2 3.76Å; V254-W366 HydrophobicContact CG2-CZ2 3.91Å; V254-L410 HydrophobicContact CG2-CD2 4.49Å
255	E	89.8	Confident	91.4	Very high	22 Å²	22	33 Å²	33	10%	0.103	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-76.4	-4.9	-176.6	74.6	-79.3	-152.8	0	0	114.8	A253 F264 R266 K357 W366 L410	A253-E255 WeakPolarHBondContact CA-OE2 3.38Å; A253-E255 PolarHBondContact O-N 3.05Å; E255-F264 WeakPolarHBondContact OE1-CD2 3.43Å; E255-R266 VanDerWaalsContact CD-NH2 3.33Å; E255-R266 IonicContact OE1-CZ 2.76Å; E255-R266 VanDerWaalsContact OE1-CZ 3.31Å; E255-R266 IonicContact OE1-NH1 2.78Å; E255-R266 PolarHBondContact OE1-NH1 2.86Å; E255-R266 IonicContact OE1-NH2 2.67Å; E255-R266 PolarHBondContact OE1-NH2 3.39Å; E255-R266 IonicContact OE2-CZ 3.84Å; E255-R266 IonicContact OE2-NH1 2.91Å; E255-R266 IonicContact OE2-NH2 3.05Å; E255-R266 PolarHBondContact OE2-NH2 2.71Å; E255-K357 HydrophobicContact CB-CD 4.41Å; E255-K357 HydrophobicContact CG-CD 4.42Å; E255-W366 HydrophobicContact CB-CB 4.24Å; E255-W366 HydrophobicContact CB-CD2 3.62Å; E255-W366 HydrophobicContact CB-CE3 4.1Å; E255-W366 HydrophobicContact CB-CG 3.68Å; E255-L410 HydrophobicContact CB-CD2 4.32Å; E255-L410 HydrophobicContact CG-CD2 4.31Å
256	Y	85.6	Confident	91.4	Very high	99 Å²	99	33 Å²	33	39%	0.388	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-116.3	2.9	171.6	-86.7	-97.3	0	0	0	114	A253 V254 T258 L259 G260 F264	A253-Y256 PolarHBondContact O-N 2.67Å; V254-Y256 VanDerWaalsContact C-N 3.25Å; V254-Y256 PolarHBondContact O-N 3.23Å; Y256-T258 PolarHBondContact O-N 2.91Å; Y256-L259 HydrophobicContact CD1-CD1 4.02Å; Y256-L259 HydrophobicContact CE1-CD1 4.22Å; Y256-L259 PolarHBondContact O-N 2.78Å; Y256-G260 PolarHBondContact O-N 3.49Å; Y256-F264 AromaticContact CD2-CE2 3.42Å; Y256-F264 HydrophobicContact CD2-CE2 3.42Å; Y256-F264 VanDerWaalsContact CD2-CE2 3.42Å; Y256-F264 AromaticContact CD2-CZ 3.46Å; Y256-F264 HydrophobicContact CD2-CZ 3.46Å; Y256-F264 VanDerWaalsContact CD2-CZ 3.46Å; Y256-F264 AromaticContact CE2-CE2 3.66Å; Y256-F264 HydrophobicContact CE2-CE2 3.66Å; Y256-F264 AromaticContact CE2-CZ 3.57Å; Y256-F264 HydrophobicContact CE2-CZ 3.57Å; Y256-F264 HydrophobicContact CG-CE2 4.36Å; Y256-F264 HydrophobicContact CG-CZ 4.11Å
257	T	79.7	Confident	91.4	Very high	56 Å²	56	32.9 Å²	32.9	34%	0.344	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.6	-172.8	47.3	0	0	0	0	115.4	I252 A253 V254 L259 G260	I252-T257 HydrophobicContact CG2-CG2 4.49Å; A253-T257 PolarHBondContact O-N 2.69Å; V254-T257 PolarHBondContact O-N 2.81Å; V254-T257 PolarHBondContact O-OG1 3.15Å; T257-L259 VanDerWaalsContact C-N 3.29Å; T257-L259 PolarHBondContact O-N 3.28Å; T257-G260 WeakPolarHBondContact CA-O 3.33Å; T257-G260 PolarHBondContact O-N 3.47Å
258	T	79.8	Confident	91.4	Very high	110 Å²	110	32.8 Å²	32.8	68%	0.675	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.2	175.5	50.9	0	0	0	0	113.8	Y256	Y256-T258 PolarHBondContact O-N 2.91Å
259	L	79.1	Confident	91.3	Very high	144 Å²	144	32.9 Å²	32.9	75%	0.754	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-10.2	177	-61.9	177.2	0	0	0	112.7	Y256 T257	Y256-L259 HydrophobicContact CD1-CD1 4.02Å; Y256-L259 HydrophobicContact CE1-CD1 4.22Å; Y256-L259 PolarHBondContact O-N 2.78Å; T257-L259 VanDerWaalsContact C-N 3.29Å; T257-L259 PolarHBondContact O-N 3.28Å
260	G	83.4	Confident	91.4	Very high	35 Å²	35	32.9 Å²	32.9	36%	0.361	18%	0.178	S	C	.	.			trans	139	-171.4	177.3	0	0	0	0	0	113.1	Y256 T257 V262	Y256-G260 PolarHBondContact O-N 3.49Å; T257-G260 WeakPolarHBondContact CA-O 3.33Å; T257-G260 PolarHBondContact O-N 3.47Å; G260-V262 PolarHBondContact O-N 3.27Å
261	K	87.3	Confident	91.5	Very high	132 Å²	132	32.8 Å²	32.8	57%	0.574	18%	0.177	S	C	*	.			trans	-87.6	97.2	175.6	-178.3	-171.9	159.1	179.8	0	109.9	E232 I252	E232-K261 WeakPolarHBondContact OE1-CE 3.41Å; E232-K261 IonicContact OE1-NZ 3.68Å; E232-K261 PolarHBondContact OE1-NZ 2.99Å; E232-K261 WeakPolarHBondContact OE2-CE 3.24Å; E232-K261 IonicContact OE2-NZ 3.38Å; E232-K261 PolarHBondContact OE2-NZ 2.92Å; I252-K261 HydrophobicContact CD1-CD 4.2Å; I252-K261 HydrophobicContact CD1-CG 4.18Å; I252-K261 HydrophobicContact CG1-CG 4.2Å; I252-K261 HydrophobicContact CG2-CG 4.15Å
262	V	90.4	Very high	91.6	Very high	34 Å²	34	34.9 Å²	34.9	21%	0.206	19%	0.187	C	C	.	.			trans	-105.1	136.5	173.9	-175.2	0	0	0	0	109.2	I252 A253 G260 F264	I252-V262 CarbonylContact C-O 3.56Å; I252-V262 WeakPolarHBondContact CA-O 3.34Å; A253-V262 PolarHBondContact N-O 3.38Å; G260-V262 PolarHBondContact O-N 3.27Å; V262-F264 HydrophobicContact CG1-CD1 3.97Å; V262-F264 HydrophobicContact CG1-CE1 3.64Å; V262-F264 HydrophobicContact CG1-CZ 4.34Å
263	V	93.6	Very high	91.8	Very high	29 Å²	29	38 Å²	38	18%	0.176	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.9	170.6	177	0	0	0	0	108.9	E251 D307 V308 Q331	E251-V263 CarbonylContact O-C 3.54Å; E251-V263 VanDerWaalsContact O-CA 3.29Å; E251-V263 WeakPolarHBondContact O-CA 3.34Å; E251-V263 WeakPolarHBondContact O-CG1 3.37Å; V263-D307 VanDerWaalsContact O-CB 3.27Å; V263-D307 WeakPolarHBondContact O-CB 3.38Å; V263-V308 HydrophobicContact CB-CG2 4.26Å; V263-V308 HydrophobicContact CG1-CG1 4.49Å; V263-V308 HydrophobicContact CG1-CG2 4.17Å; V263-Q331 PolarHBondContact O-NE2 2.87Å
264	F	95.6	Very high	92	Very high	5 Å²	5	38 Å²	38	2%	0.022	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.7	171.2	-77.6	-16.1	0	0	0	111.7	S250 E251 A253 E255 Y256 V262 R293 D307	S250-F264 WeakPolarHBondContact CA-O 3.26Å; E251-F264 PolarHBondContact N-O 3.41Å; E251-F264 PolarHBondContact O-N 3.21Å; A253-F264 HydrophobicContact CB-CB 4.13Å; A253-F264 HydrophobicContact CB-CD1 4.38Å; A253-F264 HydrophobicContact CB-CD2 3.32Å; A253-F264 HydrophobicContact CB-CE2 3.73Å; A253-F264 HydrophobicContact CB-CG 3.68Å; A253-F264 HydrophobicContact CB-CZ 4.4Å; E255-F264 WeakPolarHBondContact OE1-CD2 3.43Å; Y256-F264 AromaticContact CD2-CE2 3.42Å; Y256-F264 HydrophobicContact CD2-CE2 3.42Å; Y256-F264 VanDerWaalsContact CD2-CE2 3.42Å; Y256-F264 AromaticContact CD2-CZ 3.46Å; Y256-F264 HydrophobicContact CD2-CZ 3.46Å; Y256-F264 VanDerWaalsContact CD2-CZ 3.46Å; Y256-F264 AromaticContact CE2-CE2 3.66Å; Y256-F264 HydrophobicContact CE2-CE2 3.66Å; Y256-F264 AromaticContact CE2-CZ 3.57Å; Y256-F264 HydrophobicContact CE2-CZ 3.57Å; Y256-F264 HydrophobicContact CG-CE2 4.36Å; Y256-F264 HydrophobicContact CG-CZ 4.11Å; V262-F264 HydrophobicContact CG1-CD1 3.97Å; V262-F264 HydrophobicContact CG1-CE1 3.64Å; V262-F264 HydrophobicContact CG1-CZ 4.34Å; F264-R293 HydrophobicContact CD2-CG 4.2Å; F264-R293 HydrophobicContact CG-CG 4.32Å; F264-D307 HydrophobicContact CD1-CB 4.14Å; F264-D307 WeakPolarHBondContact CD1-OD1 3.27Å; F264-D307 WeakPolarHBondContact CE1-OD1 3.34Å
265	S	97.9	Very high	92.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.8	165.8	-63.7	0	0	0	0	111.4	S250 L294 D307 L309	S250-S265 PolarHBondContact OG-OG 3.32Å; S265-L294 PolarHBondContact O-N 3.1Å; S265-D307 WeakPolarHBondContact CB-O 3.46Å; S265-D307 PolarHBondContact N-O 3.46Å; S265-D307 PolarHBondContact OG-O 3.05Å; S265-L309 VanDerWaalsContact OG-CB 3.26Å; S265-L309 WeakPolarHBondContact OG-CB 3.46Å; S265-L309 PolarHBondContact OG-N 3.18Å
266	R	97.9	Very high	92.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.8	-179.1	-56.7	-60.6	-163.4	-164.4	-2.6	111.1	F248 F249 E251 E255 A292	F248-R266 WeakPolarHBondContact CA-O 3.37Å; F249-R266 HydrophobicContact CD1-CB 4.18Å; F249-R266 HydrophobicContact CD2-CB 4.26Å; F249-R266 HydrophobicContact CD2-CG 4.33Å; F249-R266 HydrophobicContact CE1-CB 3.86Å; F249-R266 HydrophobicContact CE2-CB 3.95Å; F249-R266 HydrophobicContact CE2-CG 3.83Å; F249-R266 HydrophobicContact CG-CB 4.37Å; F249-R266 HydrophobicContact CZ-CB 3.74Å; F249-R266 HydrophobicContact CZ-CG 3.98Å; F249-R266 PolarHBondContact N-O 2.96Å; F249-R266 VanDerWaalsContact N-O 3.17Å; F249-R266 PolarHBondContact O-N 2.96Å; E251-R266 HydrophobicContact CG-CG 3.95Å; E251-R266 IonicContact OE1-CZ 3.58Å; E251-R266 IonicContact OE1-NE 2.73Å; E251-R266 PolarHBondContact OE1-NE 3.25Å; E251-R266 IonicContact OE1-NH2 3.3Å; E251-R266 PolarHBondContact OE1-NH2 2.91Å; E251-R266 VanDerWaalsContact OE1-NH2 3.12Å; E255-R266 VanDerWaalsContact CD-NH2 3.33Å; E255-R266 IonicContact OE1-CZ 2.76Å; E255-R266 VanDerWaalsContact OE1-CZ 3.31Å; E255-R266 IonicContact OE1-NH1 2.78Å; E255-R266 PolarHBondContact OE1-NH1 2.86Å; E255-R266 IonicContact OE1-NH2 2.67Å; E255-R266 PolarHBondContact OE1-NH2 3.39Å; E255-R266 IonicContact OE2-CZ 3.84Å; E255-R266 IonicContact OE2-NH1 2.91Å; E255-R266 IonicContact OE2-NH2 3.05Å; E255-R266 PolarHBondContact OE2-NH2 2.71Å; R266-A292 VanDerWaalsContact CA-O 3.27Å; R266-A292 WeakPolarHBondContact CA-O 3.49Å
267	V	98.8	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.2	149.2	59.4	0	0	0	0	107.8	Y246 F247 F248 K291 A292 L294 I348 F352 V415	Y246-V267 HydrophobicContact CD1-CG2 4.05Å; F247-V267 CarbonylContact O-C 3.59Å; F247-V267 WeakPolarHBondContact O-CA 3.31Å; F248-V267 HydrophobicContact CD1-CB 3.92Å; F248-V267 HydrophobicContact CD1-CG2 3.99Å; F248-V267 HydrophobicContact CE1-CB 3.72Å; F248-V267 HydrophobicContact CE1-CG2 3.5Å; F248-V267 HydrophobicContact CE2-CG2 4.27Å; F248-V267 HydrophobicContact CZ-CB 4.39Å; F248-V267 HydrophobicContact CZ-CG2 3.67Å; V267-K291 CarbonylContact O-C 3.53Å; V267-K291 VanDerWaalsContact O-CA 3.28Å; V267-K291 WeakPolarHBondContact O-CA 3.47Å; V267-A292 HydrophobicContact CG1-CB 4.42Å; V267-A292 PolarHBondContact N-O 3.39Å; V267-A292 VanDerWaalsContact N-O 3.11Å; V267-A292 PolarHBondContact O-N 3.24Å; V267-L294 HydrophobicContact CB-CD2 4.05Å; V267-L294 HydrophobicContact CB-CG 4.48Å; V267-L294 HydrophobicContact CG1-CD2 3.74Å; V267-L294 HydrophobicContact CG1-CG 4.44Å; V267-I348 HydrophobicContact CG1-CG2 4.15Å; V267-I348 HydrophobicContact CG2-CG2 4.14Å; V267-F352 HydrophobicContact CG1-CE2 4.37Å; V267-F352 HydrophobicContact CG1-CZ 4.13Å; V267-F352 HydrophobicContact CG2-CE2 4.49Å; V267-F352 HydrophobicContact CG2-CZ 4.41Å; V267-V415 HydrophobicContact CG1-CG2 3.86Å
268	A	98.6	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.4	168.2	0	0	0	0	0	110.3	Y246 F247 F249 F289 L290 K291	Y246-A268 CarbonylContact C-O 3.57Å; Y246-A268 WeakPolarHBondContact CA-O 3.4Å; F247-A268 PolarHBondContact N-O 3.2Å; F247-A268 PolarHBondContact O-N 3.01Å; F249-A268 HydrophobicContact CE1-CB 3.81Å; F249-A268 HydrophobicContact CZ-CB 4.49Å; A268-F289 HydrophobicContact CB-CD2 4.45Å; A268-F289 HydrophobicContact CB-CE2 3.76Å; A268-F289 HydrophobicContact CB-CZ 4.29Å; A268-L290 CarbonylContact C-O 3.57Å; A268-L290 WeakPolarHBondContact CA-O 3.48Å; A268-L290 VanDerWaalsContact CB-O 3.26Å; A268-L290 WeakPolarHBondContact CB-O 3.21Å; A268-K291 HydrophobicContact CB-CB 3.79Å
269	R	98.2	Very high	95	Very high	4 Å²	4	32 Å²	32	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.4	173.3	76.4	175.3	-167.2	-164.8	4.2	111.8	Y244 V245 Y246 F289 L290 E349 F352 G380	Y244-R269 HydrophobicContact CD1-CB 4.34Å; Y244-R269 HydrophobicContact CD1-CG 4.13Å; Y244-R269 HydrophobicContact CE1-CG 4.42Å; Y244-R269 PolarHBondContact OH-NH2 3.11Å; V245-R269 WeakPolarHBondContact O-CA 3.3Å; Y246-R269 HydrophobicContact CD1-CB 3.81Å; Y246-R269 HydrophobicContact CE1-CB 3.87Å; R269-F289 WeakPolarHBondContact O-CA 3.47Å; R269-L290 PolarHBondContact N-O 3.3Å; R269-L290 PolarHBondContact O-N 2.89Å; R269-E349 WeakPolarHBondContact CD-OE1 3.32Å; R269-E349 IonicContact CZ-OE1 3.53Å; R269-E349 IonicContact CZ-OE2 2.71Å; R269-E349 IonicContact NE-OE1 3.46Å; R269-E349 IonicContact NH1-OE1 2.87Å; R269-E349 PolarHBondContact NH1-OE1 2.9Å; R269-E349 IonicContact NH1-OE2 3.02Å; R269-E349 PolarHBondContact NH1-OE2 2.84Å; R269-F352 HydrophobicContact CB-CD2 4.49Å; R269-F352 HydrophobicContact CB-CE2 3.98Å; R269-F352 HydrophobicContact CB-CZ 4.09Å; R269-F352 HydrophobicContact CG-CD1 4.27Å; R269-F352 HydrophobicContact CG-CD2 4.07Å; R269-F352 HydrophobicContact CG-CE1 4.21Å; R269-F352 HydrophobicContact CG-CE2 3.98Å; R269-F352 HydrophobicContact CG-CG 4.22Å; R269-F352 HydrophobicContact CG-CZ 4.06Å; R269-F352 VanDerWaalsContact NH1-CB 3.28Å; R269-G380 PolarHBondContact NH2-O 3.03Å
270	V	98.7	Very high	95.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.2	164.9	-60.8	0	0	0	0	109.6	Y193 Y244 V245 F247 W286 F289	Y193-V270 HydrophobicContact CD1-CG2 4.22Å; Y193-V270 HydrophobicContact CE1-CG2 3.92Å; Y244-V270 CarbonylContact C-O 3.28Å; Y244-V270 WeakPolarHBondContact CA-O 3.29Å; Y244-V270 WeakPolarHBondContact CB-O 3.36Å; V245-V270 HydrophobicContact CB-CG2 4.17Å; V245-V270 PolarHBondContact N-O 3.35Å; V245-V270 PolarHBondContact O-N 2.75Å; F247-V270 HydrophobicContact CE2-CG2 3.93Å; V270-W286 HydrophobicContact CB-CD2 4.22Å; V270-W286 HydrophobicContact CB-CE3 3.83Å; V270-W286 HydrophobicContact CB-CH2 4.29Å; V270-W286 HydrophobicContact CB-CZ3 3.87Å; V270-W286 HydrophobicContact CG1-CD2 3.77Å; V270-W286 HydrophobicContact CG1-CE3 3.91Å; V270-W286 HydrophobicContact CG1-CG 4.08Å; V270-W286 HydrophobicContact CG1-CZ2 4.46Å; V270-W286 HydrophobicContact CG1-CZ3 4.3Å; V270-W286 HydrophobicContact CG2-CE3 4.33Å; V270-W286 HydrophobicContact CG2-CH2 3.88Å; V270-W286 HydrophobicContact CG2-CZ2 4.34Å; V270-W286 HydrophobicContact CG2-CZ3 3.89Å; V270-F289 HydrophobicContact CG1-CB 4.18Å; V270-F289 HydrophobicContact CG1-CD2 4.06Å
271	C	98.1	Very high	96.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.6	174.9	-70.3	0	0	0	0	110.9	Y244 N273 D274 S288 C382	Y244-C271 VanDerWaalsContact CE1-SG 3.51Å; C271-N273 VanDerWaalsContact C-N 3.26Å; C271-N273 PolarHBondContact O-N 3.09Å; C271-D274 HydrophobicContact CB-CB 4.28Å; C271-D274 WeakPolarHBondContact O-CB 3.27Å; C271-D274 PolarHBondContact O-N 2.91Å; C271-S288 PolarHBondContact N-OG 2.87Å; C271-S288 WeakPolarHBondContact SG-CB 3.31Å; C271-C382 HydrophobicContact CB-CB 3.82Å; C271-C382 WeakPolarHBondContact CB-SG 3.48Å; C271-C382 WeakPolarHBondContact SG-CA 3.09Å; C271-C382 WeakPolarHBondContact SG-CB 3.3Å; C271-C382 PolarHBondContact SG-N 2.91Å; C271-C382 VanDerWaalsContact SG-N 3.42Å; C271-C382 CovalentContact SG-SG 2.04Å; C271-C382 PolarHBondContact SG-SG 3.29Å
272	K	97.4	Very high	97	Very high	45 Å²	45	27.6 Å²	27.6	20%	0.196	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.7	176.7	-75.4	-177.2	-69.8	179.6	0	112.9	A188 Y193 R209 E240 G242 N243 V245	A188-K272 HydrophobicContact CB-CD 4.31Å; Y193-K272 WeakPolarHBondContact OH-CA 3.5Å; Y193-K272 PolarHBondContact OH-O 2.89Å; R209-K272 PolarHBondContact NH1-O 3.14Å; E240-K272 HydrophobicContact CG-CD 4.15Å; E240-K272 WeakPolarHBondContact OE1-CD 3.22Å; E240-K272 WeakPolarHBondContact OE1-CE 3.43Å; E240-K272 IonicContact OE1-NZ 3.81Å; E240-K272 PolarHBondContact OE1-NZ 2.98Å; G242-K272 WeakPolarHBondContact O-CE 3.43Å; G242-K272 PolarHBondContact O-NZ 2.76Å; N243-K272 PolarHBondContact O-N 2.84Å; V245-K272 HydrophobicContact CG2-CD 4.39Å; V245-K272 HydrophobicContact CG2-CG 3.9Å
273	N	96.3	Very high	97.3	Very high	72 Å²	72	30 Å²	30	39%	0.385	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	16.6	179.8	73.5	-15.8	0	0	0	114.5	C271 N275 A383	C271-N273 VanDerWaalsContact C-N 3.26Å; C271-N273 PolarHBondContact O-N 3.09Å; N273-N275 PolarHBondContact O-N 3.16Å; N273-A383 PolarHBondContact ND2-O 3.22Å
274	D	97.8	Very high	97.4	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.011	17%	0.166	C	C	.	.			trans	-61.6	130.4	172.6	-161.9	-28.2	0	0	0	109.5	R209 L218 C271 G276 W286 T287 S288 S394	R209-D274 VanDerWaalsContact CZ-O 3.23Å; R209-D274 PolarHBondContact NH1-O 2.86Å; R209-D274 PolarHBondContact NH2-O 2.82Å; L218-D274 HydrophobicContact CD1-CB 3.91Å; L218-D274 WeakPolarHBondContact CD1-O 3.48Å; C271-D274 HydrophobicContact CB-CB 4.28Å; C271-D274 WeakPolarHBondContact O-CB 3.27Å; C271-D274 PolarHBondContact O-N 2.91Å; D274-G276 PolarHBondContact OD1-N 2.65Å; D274-W286 HydrophobicContact CB-CE3 3.97Å; D274-W286 HydrophobicContact CB-CZ3 4.04Å; D274-T287 PolarHBondContact OD1-N 3.1Å; D274-T287 PolarHBondContact OD1-OG1 3.15Å; D274-T287 PolarHBondContact OD2-N 2.91Å; D274-T287 PolarHBondContact OD2-OG1 3.1Å; D274-T287 VanDerWaalsContact OD2-OG1 3.11Å; D274-S288 WeakPolarHBondContact OD2-CB 3.13Å; D274-S288 PolarHBondContact OD2-N 3.49Å; D274-S288 PolarHBondContact OD2-OG 2.85Å; D274-S394 PolarHBondContact OD1-OG 3.01Å
275	N	97.4	Very high	97.6	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	18%	0.18	S	C	.	.			trans	-114.5	10.3	179.9	-75.6	-40.5	0	0	0	112.6	P216 N273 S393 S394 T395	P216-N275 WeakPolarHBondContact CD-OD1 3.41Å; P216-N275 HydrophobicContact CG-CB 4.17Å; P216-N275 WeakPolarHBondContact CG-O 3.47Å; N273-N275 PolarHBondContact O-N 3.16Å; N275-S393 WeakPolarHBondContact CB-OG 3.11Å; N275-S393 PolarHBondContact ND2-OG 3.04Å; N275-S393 VanDerWaalsContact ND2-OG 3.16Å; N275-S394 WeakPolarHBondContact CA-OG 3.43Å; N275-S394 PolarHBondContact N-OG 2.8Å; N275-T395 HydrophobicContact CB-CG2 3.97Å; N275-T395 WeakPolarHBondContact O-CG2 3.37Å
276	G	97.7	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.179	C	C	.	.			trans	81.9	172.6	-169.5	0	0	0	0	0	112.2	D274 Y285 T287 S394 T395	D274-G276 PolarHBondContact OD1-N 2.65Å; G276-Y285 WeakPolarHBondContact CA-O 3.48Å; G276-T287 WeakPolarHBondContact O-CG2 3.41Å; G276-S394 PolarHBondContact N-OG 3.34Å; G276-S394 CarbonylContact O-C 3.52Å; G276-S394 VanDerWaalsContact O-C 3.28Å; G276-S394 WeakPolarHBondContact O-CB 3.19Å; G276-S394 PolarHBondContact O-OG 3.12Å; G276-T395 WeakPolarHBondContact O-CG2 3.4Å; G276-T395 PolarHBondContact O-N 3.45Å; G276-T395 VanDerWaalsContact O-N 3.13Å
277	G	97.5	Very high	97.6	Very high	1 Å²	1	39 Å²	39	1%	0.01	18%	0.181	C	C	.	.			trans	-85.7	-165.2	-174.6	0	0	0	0	0	114.4	V281 L282 T287	G277-V281 CarbonylContact C-O 3.57Å; G277-V281 VanDerWaalsContact CA-O 3.29Å; G277-V281 WeakPolarHBondContact CA-O 3.03Å; G277-L282 PolarHBondContact N-O 2.77Å; G277-T287 VanDerWaalsContact CA-CG2 3.44Å
278	S	96.8	Very high	97.6	Very high	3 Å²	3	39 Å²	39	2%	0.021	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-69.3	160.8	173.7	81	0	0	0	0	110.5	R280 V281 E283 D399	S278-R280 PolarHBondContact O-N 2.95Å; S278-R280 PolarHBondContact OG-N 2.81Å; S278-V281 PolarHBondContact N-O 3.44Å; S278-V281 CarbonylContact O-C 3.52Å; S278-V281 PolarHBondContact O-N 3.08Å; S278-V281 VanDerWaalsContact O-N 3.09Å; S278-V281 PolarHBondContact OG-N 2.95Å; S278-V281 VanDerWaalsContact OG-N 3.15Å; S278-E283 PolarHBondContact O-N 2.89Å; S278-D399 WeakPolarHBondContact CB-OD1 3.49Å; S278-D399 PolarHBondContact OG-OD1 2.82Å
279	P	95.8	Very high	97.6	Very high	109 Å²	109	39 Å²	39	71%	0.708	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-5.6	171.3	-24.9	35.4	0	0	0	114.8
280	R	96.8	Very high	97.6	Very high	183 Å²	183	38.9 Å²	38.9	69%	0.691	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-30.4	177	-59.2	178.1	-59.4	-90.5	-12.4	111.9	S278 D399	S278-R280 PolarHBondContact O-N 2.95Å; S278-R280 PolarHBondContact OG-N 2.81Å; R280-D399 IonicContact CZ-OD1 3.99Å; R280-D399 IonicContact CZ-OD2 2.85Å; R280-D399 IonicContact NE-OD1 3.47Å; R280-D399 PolarHBondContact NE-OD1 2.7Å; R280-D399 IonicContact NE-OD2 2.66Å; R280-D399 PolarHBondContact NE-OD2 2.85Å; R280-D399 IonicContact NH2-OD1 2.85Å; R280-D399 PolarHBondContact NH2-OD1 2.6Å; R280-D399 IonicContact NH2-OD2 2.69Å; R280-D399 PolarHBondContact NH2-OD2 2.87Å
281	V	97.6	Very high	97.6	Very high	22 Å²	22	38.9 Å²	38.9	13%	0.133	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-142.9	122.2	-175.5	-167.8	0	0	0	0	110.7	G277 S278 E283 D399 L402	G277-V281 CarbonylContact C-O 3.57Å; G277-V281 VanDerWaalsContact CA-O 3.29Å; G277-V281 WeakPolarHBondContact CA-O 3.03Å; S278-V281 PolarHBondContact N-O 3.44Å; S278-V281 CarbonylContact O-C 3.52Å; S278-V281 PolarHBondContact O-N 3.08Å; S278-V281 VanDerWaalsContact O-N 3.09Å; S278-V281 PolarHBondContact OG-N 2.95Å; S278-V281 VanDerWaalsContact OG-N 3.15Å; V281-E283 PolarHBondContact O-N 3.45Å; V281-D399 HydrophobicContact CG2-CB 3.94Å; V281-L402 HydrophobicContact CB-CB 3.84Å; V281-L402 HydrophobicContact CB-CD1 4.32Å; V281-L402 HydrophobicContact CG1-CB 3.6Å
282	L	97.6	Very high	97.6	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.068	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	63.3	19.9	174.4	-62.9	169.6	0	0	0	117.3	V221 W227 G277 R284 Y285 L402 I405 K406	V221-L282 HydrophobicContact CG2-CD2 3.92Å; W227-L282 HydrophobicContact CH2-CD2 4.23Å; W227-L282 HydrophobicContact CZ2-CD2 4.03Å; G277-L282 PolarHBondContact N-O 2.77Å; L282-R284 VanDerWaalsContact C-N 3.27Å; L282-R284 PolarHBondContact O-N 3.45Å; L282-Y285 HydrophobicContact CD2-CD2 4.46Å; L282-Y285 HydrophobicContact CD2-CG 4.19Å; L282-Y285 PolarHBondContact O-N 2.8Å; L282-L402 HydrophobicContact CD1-CB 4.34Å; L282-L402 HydrophobicContact CD1-CD2 4.37Å; L282-L402 VanDerWaalsContact CD1-O 3.25Å; L282-L402 WeakPolarHBondContact CD1-O 3.43Å; L282-I405 HydrophobicContact CD1-CG2 3.74Å; L282-K406 HydrophobicContact CD1-CB 4.19Å; L282-K406 HydrophobicContact CD2-CB 4.28Å; L282-K406 HydrophobicContact CD2-CD 4.37Å; L282-K406 HydrophobicContact CD2-CG 4.21Å; L282-K406 HydrophobicContact CG-CB 4.44Å
283	E	96.3	Very high	97.7	Very high	84 Å²	84	38.1 Å²	38.1	39%	0.393	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.1	-42.4	-177.1	-163.7	-149.9	136.5	0	0	116.2	S278 V281	S278-E283 PolarHBondContact O-N 2.89Å; V281-E283 PolarHBondContact O-N 3.45Å
284	R	96.9	Very high	97.8	Very high	139 Å²	139	34.8 Å²	34.8	53%	0.525	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	21.9	179.8	-56	-61.7	169.8	162.9	-5.9	113.9	R219 L282	R219-R284 PolarHBondContact N-O 2.82Å; L282-R284 VanDerWaalsContact C-N 3.27Å; L282-R284 PolarHBondContact O-N 3.45Å
285	Y	98.5	Very high	97.8	Very high	81 Å²	81	35.6 Å²	35.6	32%	0.318	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-125.7	156.6	-176.9	-60.1	-83.7	0	0	0	110.1	R219 V221 G276 L282 T287	R219-Y285 HydrophobicContact CG-CD1 3.86Å; R219-Y285 HydrophobicContact CG-CE1 3.86Å; R219-Y285 VanDerWaalsContact O-CA 3.25Å; R219-Y285 WeakPolarHBondContact O-CA 3.34Å; R219-Y285 WeakPolarHBondContact O-CD1 3.15Å; V221-Y285 HydrophobicContact CB-CD1 4.38Å; V221-Y285 HydrophobicContact CG2-CD1 3.89Å; V221-Y285 HydrophobicContact CG2-CE1 4.41Å; V221-Y285 HydrophobicContact CG2-CG 4.18Å; G276-Y285 WeakPolarHBondContact CA-O 3.48Å; L282-Y285 HydrophobicContact CD2-CD2 4.46Å; L282-Y285 HydrophobicContact CD2-CG 4.19Å; L282-Y285 PolarHBondContact O-N 2.8Å; Y285-T287 PolarHBondContact O-N 2.82Å
286	W	98.6	Very high	97.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.			trans	-56.7	137.7	176.5	-60.6	110.7	0	0	0	112.1	Y193 I207 R209 L218 R219 W227 V270 D274 F289	Y193-W286 HydrophobicContact CD1-CH2 4.11Å; Y193-W286 AromaticContact CE1-CH2 3.68Å; Y193-W286 HydrophobicContact CE1-CH2 3.68Å; Y193-W286 HydrophobicContact CE1-CZ3 4.36Å; I207-W286 PolarHBondContact O-NE1 3.43Å; R209-W286 HydrophobicContact CB-CH2 3.41Å; R209-W286 VanDerWaalsContact CB-CH2 3.41Å; R209-W286 HydrophobicContact CB-CZ2 3.64Å; R209-W286 HydrophobicContact CG-CH2 4.23Å; L218-W286 HydrophobicContact CB-CD2 4.03Å; L218-W286 HydrophobicContact CB-CE3 4.09Å; L218-W286 HydrophobicContact CB-CH2 4.27Å; L218-W286 HydrophobicContact CB-CZ2 4.18Å; L218-W286 HydrophobicContact CB-CZ3 4.22Å; L218-W286 HydrophobicContact CD1-CD2 4.36Å; L218-W286 HydrophobicContact CD1-CE3 3.67Å; L218-W286 HydrophobicContact CD1-CZ3 3.78Å; R219-W286 VanDerWaalsContact O-CD1 3.3Å; R219-W286 PolarHBondContact O-N 2.89Å; W227-W286 HydrophobicContact CH2-CB 4.31Å; W227-W286 WeakPolarHBondContact CH2-O 3.46Å; W227-W286 HydrophobicContact CZ3-CB 4.11Å; V270-W286 HydrophobicContact CB-CD2 4.22Å; V270-W286 HydrophobicContact CB-CE3 3.83Å; V270-W286 HydrophobicContact CB-CH2 4.29Å; V270-W286 HydrophobicContact CB-CZ3 3.87Å; V270-W286 HydrophobicContact CG1-CD2 3.77Å; V270-W286 HydrophobicContact CG1-CE3 3.91Å; V270-W286 HydrophobicContact CG1-CG 4.08Å; V270-W286 HydrophobicContact CG1-CZ2 4.46Å; V270-W286 HydrophobicContact CG1-CZ3 4.3Å; V270-W286 HydrophobicContact CG2-CE3 4.33Å; V270-W286 HydrophobicContact CG2-CH2 3.88Å; V270-W286 HydrophobicContact CG2-CZ2 4.34Å; V270-W286 HydrophobicContact CG2-CZ3 3.89Å; D274-W286 HydrophobicContact CB-CE3 3.97Å; D274-W286 HydrophobicContact CB-CZ3 4.04Å; W286-F289 HydrophobicContact CB-CB 3.63Å; W286-F289 HydrophobicContact CG-CB 4.18Å
287	T	98.4	Very high	97.7	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.037	15%	0.15	C	C	.	.	S	Bend	trans	-101.4	-5.7	170.1	64.6	0	0	0	0	112.7	D274 G276 G277 Y285 S394 L402 I405	D274-T287 PolarHBondContact OD1-N 3.1Å; D274-T287 PolarHBondContact OD1-OG1 3.15Å; D274-T287 PolarHBondContact OD2-N 2.91Å; D274-T287 PolarHBondContact OD2-OG1 3.1Å; D274-T287 VanDerWaalsContact OD2-OG1 3.11Å; G276-T287 WeakPolarHBondContact O-CG2 3.41Å; G277-T287 VanDerWaalsContact CA-CG2 3.44Å; Y285-T287 PolarHBondContact O-N 2.82Å; T287-S394 WeakPolarHBondContact OG1-CB 3.2Å; T287-L402 HydrophobicContact CG2-CD2 3.49Å; T287-L402 VanDerWaalsContact CG2-CD2 3.49Å; T287-I405 WeakPolarHBondContact O-CD1 3.33Å
288	S	98.3	Very high	97.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	15%	0.154	C	C	.	.	S	Bend	trans	-118.9	-1.2	-174.6	58.2	0	0	0	0	114.7	C271 D274 L290	C271-S288 PolarHBondContact N-OG 2.87Å; C271-S288 WeakPolarHBondContact SG-CB 3.31Å; D274-S288 WeakPolarHBondContact OD2-CB 3.13Å; D274-S288 PolarHBondContact OD2-N 3.49Å; D274-S288 PolarHBondContact OD2-OG 2.85Å; S288-L290 PolarHBondContact O-N 2.91Å
289	F	98.8	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.166	C	C	.	.			trans	-69.4	114.3	-176.4	178.1	-97.2	0	0	0	112.2	I207 T220 W227 L228 A268 R269 V270 W286 K291 P409	I207-F289 HydrophobicContact CD1-CE2 3.84Å; T220-F289 HydrophobicContact CG2-CD2 4.11Å; T220-F289 HydrophobicContact CG2-CE2 4.06Å; T220-F289 HydrophobicContact CG2-CG 4.4Å; T220-F289 HydrophobicContact CG2-CZ 4.31Å; W227-F289 HydrophobicContact CB-CE1 4.32Å; W227-F289 AromaticContact CD2-CD1 3.94Å; W227-F289 HydrophobicContact CD2-CD1 3.94Å; W227-F289 HydrophobicContact CD2-CE1 4.25Å; W227-F289 HydrophobicContact CE3-CB 4.3Å; W227-F289 AromaticContact CE3-CD1 3.34Å; W227-F289 HydrophobicContact CE3-CD1 3.34Å; W227-F289 AromaticContact CE3-CE1 3.82Å; W227-F289 HydrophobicContact CE3-CE1 3.82Å; W227-F289 AromaticContact CE3-CG 3.93Å; W227-F289 HydrophobicContact CE3-CG 3.93Å; W227-F289 HydrophobicContact CG-CE1 4.49Å; W227-F289 HydrophobicContact CH2-CB 4.19Å; W227-F289 HydrophobicContact CH2-CD1 4.42Å; W227-F289 HydrophobicContact CZ3-CB 3.68Å; W227-F289 AromaticContact CZ3-CD1 3.63Å; W227-F289 HydrophobicContact CZ3-CD1 3.63Å; W227-F289 AromaticContact CZ3-CG 3.81Å; W227-F289 HydrophobicContact CZ3-CG 3.81Å; L228-F289 HydrophobicContact CD2-CZ 4.34Å; A268-F289 HydrophobicContact CB-CD2 4.45Å; A268-F289 HydrophobicContact CB-CE2 3.76Å; A268-F289 HydrophobicContact CB-CZ 4.29Å; R269-F289 WeakPolarHBondContact O-CA 3.47Å; V270-F289 HydrophobicContact CG1-CB 4.18Å; V270-F289 HydrophobicContact CG1-CD2 4.06Å; W286-F289 HydrophobicContact CB-CB 3.63Å; W286-F289 HydrophobicContact CG-CB 4.18Å; F289-K291 HydrophobicContact CZ-CD 4.49Å; F289-P409 HydrophobicContact CD1-CB 4.02Å; F289-P409 HydrophobicContact CE1-CB 4.11Å
290	L	98.8	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.9	170.9	-64.6	177.5	0	0	0	109.8	A268 R269 S288 F352 F356 I405 P409 M411	A268-L290 CarbonylContact C-O 3.57Å; A268-L290 WeakPolarHBondContact CA-O 3.48Å; A268-L290 VanDerWaalsContact CB-O 3.26Å; A268-L290 WeakPolarHBondContact CB-O 3.21Å; R269-L290 PolarHBondContact N-O 3.3Å; R269-L290 PolarHBondContact O-N 2.89Å; S288-L290 PolarHBondContact O-N 2.91Å; L290-F352 HydrophobicContact CB-CD1 3.78Å; L290-F352 HydrophobicContact CB-CE1 3.94Å; L290-F352 HydrophobicContact CD1-CD1 4.49Å; L290-F352 WeakPolarHBondContact O-CE1 3.11Å; L290-F356 HydrophobicContact CD1-CE1 3.93Å; L290-F356 HydrophobicContact CD2-CD1 4.22Å; L290-F356 HydrophobicContact CD2-CE1 3.74Å; L290-I405 HydrophobicContact CD2-CD1 3.96Å; L290-I405 HydrophobicContact CD2-CG1 3.8Å; L290-I405 HydrophobicContact CG-CD1 4.21Å; L290-P409 CarbonylContact C-O 3.48Å; L290-P409 WeakPolarHBondContact CA-O 3.41Å; L290-M411 HydrophobicContact CB-SD 4.18Å; L290-M411 HydrophobicContact CD1-SD 3.92Å; L290-M411 HydrophobicContact CD2-SD 4.19Å; L290-M411 HydrophobicContact CG-SD 4.33Å
291	K	98.4	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.4	173.9	70.9	-176.4	176.3	-175.4	0	113.3	K226 W227 F249 E251 V267 A268 F289 P409 L410 M411	K226-K291 WeakPolarHBondContact O-CE 3.33Å; K226-K291 PolarHBondContact O-NZ 2.67Å; W227-K291 PolarHBondContact O-NZ 2.86Å; F249-K291 HydrophobicContact CZ-CD 4.12Å; E251-K291 VanDerWaalsContact OE1-CE 3.26Å; E251-K291 WeakPolarHBondContact OE1-CE 3.16Å; E251-K291 IonicContact OE1-NZ 3.18Å; E251-K291 PolarHBondContact OE1-NZ 2.88Å; E251-K291 IonicContact OE2-NZ 2.75Å; E251-K291 PolarHBondContact OE2-NZ 3.42Å; V267-K291 CarbonylContact O-C 3.53Å; V267-K291 VanDerWaalsContact O-CA 3.28Å; V267-K291 WeakPolarHBondContact O-CA 3.47Å; A268-K291 HydrophobicContact CB-CB 3.79Å; F289-K291 HydrophobicContact CZ-CD 4.49Å; K291-P409 PolarHBondContact N-O 3.47Å; K291-L410 HydrophobicContact CG-CD1 4.08Å; K291-L410 WeakPolarHBondContact O-CA 3.42Å; K291-M411 PolarHBondContact O-N 3.18Å
292	A	98.6	Very high	96	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.1	176	0	0	0	0	0	110.8	R266 V267 A351 F352 M411 V415	R266-A292 VanDerWaalsContact CA-O 3.27Å; R266-A292 WeakPolarHBondContact CA-O 3.49Å; V267-A292 HydrophobicContact CG1-CB 4.42Å; V267-A292 PolarHBondContact N-O 3.39Å; V267-A292 VanDerWaalsContact N-O 3.11Å; V267-A292 PolarHBondContact O-N 3.24Å; A292-A351 HydrophobicContact CB-CB 4.37Å; A292-F352 HydrophobicContact CB-CE1 4.27Å; A292-M411 HydrophobicContact CB-CB 4.1Å; A292-M411 HydrophobicContact CB-CG 4.11Å; A292-V415 HydrophobicContact CB-CG2 4.23Å
293	R	98.2	Very high	95.7	Very high	30 Å²	30	38.9 Å²	38.9	11%	0.113	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.3	171.7	-177.8	-178.9	-179.3	-148.6	2	109.7	F264 D307 S414 V415	F264-R293 HydrophobicContact CD2-CG 4.2Å; F264-R293 HydrophobicContact CG-CG 4.32Å; R293-D307 IonicContact CZ-OD1 3.72Å; R293-D307 IonicContact NE-OD1 2.75Å; R293-D307 IonicContact NH2-OD1 3.36Å; R293-D307 PolarHBondContact NH2-OD1 3.38Å; R293-S414 CarbonylContact O-C 3.47Å; R293-S414 VanDerWaalsContact O-CA 3.22Å; R293-S414 WeakPolarHBondContact O-CA 3.19Å; R293-S414 WeakPolarHBondContact O-CB 3.19Å; R293-V415 PolarHBondContact O-N 3.38Å
294	L	98.6	Very high	95.6	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.8	165.5	-63.1	174.8	0	0	0	109.3	F248 S265 V267 F328 F343 V415	F248-L294 HydrophobicContact CD1-CD1 4.13Å; S265-L294 PolarHBondContact O-N 3.1Å; V267-L294 HydrophobicContact CB-CD2 4.05Å; V267-L294 HydrophobicContact CB-CG 4.48Å; V267-L294 HydrophobicContact CG1-CD2 3.74Å; V267-L294 HydrophobicContact CG1-CG 4.44Å; L294-F328 HydrophobicContact CB-CE1 4.25Å; L294-F328 HydrophobicContact CB-CZ 4.36Å; L294-F328 HydrophobicContact CD1-CE1 4.38Å; L294-F328 HydrophobicContact CD1-CZ 4.19Å; L294-F343 HydrophobicContact CB-CE1 4.13Å; L294-F343 HydrophobicContact CB-CZ 4.06Å; L294-F343 HydrophobicContact CD2-CD1 4.14Å; L294-F343 HydrophobicContact CD2-CE1 4.23Å; L294-F343 HydrophobicContact CD2-CG 4.38Å; L294-V415 HydrophobicContact CD2-CB 4Å; L294-V415 HydrophobicContact CD2-CG2 4.06Å
295	N	98	Very high	95.6	Very high	19 Å²	19	36.4 Å²	36.4	10%	0.102	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	100.8	176.3	-178.1	16.2	0	0	0	110.8	S297 Y305 F343 V415 S417	N295-S297 WeakPolarHBondContact OD1-CB 3.49Å; N295-S297 PolarHBondContact OD1-OG 3.48Å; N295-Y305 WeakPolarHBondContact OD1-CE1 3.42Å; N295-F343 WeakPolarHBondContact O-CE1 3.48Å; N295-V415 WeakPolarHBondContact CB-O 3.42Å; N295-V415 PolarHBondContact N-O 3.3Å; N295-S417 VanDerWaalsContact O-CB 3.28Å; N295-S417 WeakPolarHBondContact O-CB 3.41Å; N295-S417 PolarHBondContact O-N 3.22Å; N295-S417 PolarHBondContact O-OG 3.42Å; N295-S417 VanDerWaalsContact O-OG 3.14Å
296	C	97.8	Very high	95.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	18%	0.18	C	C	.	.			trans	-108.5	104.4	163.7	-171	0	0	0	0	108.3	F306 F328 C341 F343	C296-F306 PolarHBondContact O-N 3.38Å; C296-F328 HydrophobicContact CB-CB 4.4Å; C296-F328 HydrophobicContact CB-CD1 4.02Å; C296-F328 HydrophobicContact CB-CD2 3.82Å; C296-F328 HydrophobicContact CB-CE1 4.2Å; C296-F328 HydrophobicContact CB-CE2 4.06Å; C296-F328 HydrophobicContact CB-CG 3.82Å; C296-F328 HydrophobicContact CB-CZ 4.23Å; C296-C341 WeakPolarHBondContact CA-SG 3.5Å; C296-C341 HydrophobicContact CB-CB 3.74Å; C296-C341 WeakPolarHBondContact CB-SG 3.38Å; C296-C341 WeakPolarHBondContact SG-CB 3.42Å; C296-C341 CovalentContact SG-SG 2.04Å; C296-C341 PolarHBondContact SG-SG 3.01Å; C296-F343 HydrophobicContact CB-CZ 4.33Å
297	S	96.2	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.9	-177.2	53.7	0	0	0	0	113.8	N295 F304 R421 P422	N295-S297 WeakPolarHBondContact OD1-CB 3.49Å; N295-S297 PolarHBondContact OD1-OG 3.48Å; S297-F304 CarbonylContact C-O 3.57Å; S297-F304 WeakPolarHBondContact CA-O 3.37Å; S297-F304 VanDerWaalsContact CB-O 3.25Å; S297-F304 WeakPolarHBondContact CB-O 3.38Å; S297-R421 WeakPolarHBondContact O-CA 3.48Å; S297-P422 WeakPolarHBondContact O-CD 3.17Å
298	V	94.5	Very high	95.3	Very high	16 Å²	16	34.3 Å²	34.3	10%	0.097	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.7	167.7	172.8	0	0	0	0	108.2	F34 P35 F303 F304 F306 P422 T425	F34-V298 HydrophobicContact CD2-CG1 4.33Å; F34-V298 HydrophobicContact CE2-CB 4.02Å; F34-V298 HydrophobicContact CE2-CG1 4.2Å; F34-V298 HydrophobicContact CE2-CG2 3.94Å; F34-V298 HydrophobicContact CZ-CG2 4.02Å; P35-V298 HydrophobicContact CG-CG1 4.15Å; P35-V298 HydrophobicContact CG-CG2 4.42Å; V298-F303 WeakPolarHBondContact O-CA 3.37Å; V298-F304 HydrophobicContact CB-CB 4.45Å; V298-F304 PolarHBondContact N-O 2.87Å; V298-F304 PolarHBondContact O-N 3.27Å; V298-F306 HydrophobicContact CG2-CE2 4.15Å; V298-P422 HydrophobicContact CG2-CG 3.76Å; V298-T425 HydrophobicContact CG2-CG2 4.3Å
299	P	91.4	Very high	95.3	Very high	40 Å²	40	34.2 Å²	34.2	26%	0.26	19%	0.189	S	C	.	.			trans	-76.6	146.8	176.4	30.5	-34.4	0	0	0	112.2	F303	P299-F303 HydrophobicContact CB-CD1 4.22Å; P299-F303 HydrophobicContact CB-CE1 3.87Å
300	G	87.8	Confident	95.3	Very high	44 Å²	44	35.6 Å²	35.6	45%	0.454	20%	0.195	S	C	.	.	S	Bend	trans	178.6	-164.7	178.3	0	0	0	0	0	110.1	S302	G300-S302 PolarHBondContact O-N 3.19Å
301	D	85.6	Confident	95.2	Very high	140 Å²	140	36.3 Å²	36.3	75%	0.749	20%	0.2	S	C	*	.	S	Bend	trans	-53.2	-25.1	176.7	-61.8	0.7	0	0	0	113
302	S	88.1	Confident	95.2	Very high	106 Å²	106	36.9 Å²	36.9	74%	0.741	20%	0.203	S	C	*	.	S	Bend	trans	-146.5	139.8	161	-70.4	0	0	0	0	109.1	G300 F304	G300-S302 PolarHBondContact O-N 3.19Å; S302-F304 PolarHBondContact O-N 2.93Å
303	F	91.9	Very high	95.2	Very high	106 Å²	106	37.5 Å²	37.5	47%	0.465	21%	0.207	S	C	.	.			trans	-66.7	130	-178.9	-69.2	-91.1	0	0	0	111.5	V298 P299 Y305	V298-F303 WeakPolarHBondContact O-CA 3.37Å; P299-F303 HydrophobicContact CB-CD1 4.22Å; P299-F303 HydrophobicContact CB-CE1 3.87Å; F303-Y305 HydrophobicContact CB-CD2 4.34Å; F303-Y305 HydrophobicContact CB-CE1 4.18Å; F303-Y305 HydrophobicContact CB-CE2 3.64Å
304	F	94.7	Very high	95	Very high	90 Å²	90	41.2 Å²	41.2	40%	0.395	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.8	170.9	-174.5	-83.6	0	0	0	109.7	F34 S297 V298 S302 F306 T330	F34-F304 HydrophobicContact CE2-CB 4.03Å; F34-F304 AromaticContact CE2-CD1 3.79Å; F34-F304 HydrophobicContact CE2-CD1 3.79Å; F34-F304 HydrophobicContact CE2-CD2 4.46Å; F34-F304 HydrophobicContact CE2-CE1 4.38Å; F34-F304 AromaticContact CE2-CG 3.83Å; F34-F304 HydrophobicContact CE2-CG 3.83Å; F34-F304 HydrophobicContact CZ-CD1 4.22Å; F34-F304 HydrophobicContact CZ-CE1 4.49Å; S297-F304 CarbonylContact C-O 3.57Å; S297-F304 WeakPolarHBondContact CA-O 3.37Å; S297-F304 VanDerWaalsContact CB-O 3.25Å; S297-F304 WeakPolarHBondContact CB-O 3.38Å; V298-F304 HydrophobicContact CB-CB 4.45Å; V298-F304 PolarHBondContact N-O 2.87Å; V298-F304 PolarHBondContact O-N 3.27Å; S302-F304 PolarHBondContact O-N 2.93Å; F304-F306 HydrophobicContact CD1-CD2 4.17Å; F304-F306 AromaticContact CD1-CE2 3.67Å; F304-F306 HydrophobicContact CD1-CE2 3.67Å; F304-F306 AromaticContact CD1-CZ 3.93Å; F304-F306 HydrophobicContact CD1-CZ 3.93Å; F304-F306 HydrophobicContact CE1-CD1 4.45Å; F304-F306 HydrophobicContact CE1-CD2 4.35Å; F304-F306 AromaticContact CE1-CE1 3.97Å; F304-F306 HydrophobicContact CE1-CE1 3.97Å; F304-F306 AromaticContact CE1-CE2 3.86Å; F304-F306 HydrophobicContact CE1-CE2 3.86Å; F304-F306 AromaticContact CE1-CZ 3.66Å; F304-F306 HydrophobicContact CE1-CZ 3.66Å; F304-T330 HydrophobicContact CE1-CG2 3.82Å; F304-T330 HydrophobicContact CZ-CG2 3.75Å
305	Y	95.8	Very high	94.9	Very high	81 Å²	81	43.2 Å²	43.2	32%	0.318	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	137	-174.1	-62.4	-83.7	0	0	0	113.2	N295 F303	N295-Y305 WeakPolarHBondContact OD1-CE1 3.42Å; F303-Y305 HydrophobicContact CB-CD2 4.34Å; F303-Y305 HydrophobicContact CB-CE1 4.18Å; F303-Y305 HydrophobicContact CB-CE2 3.64Å
306	F	97.7	Very high	94.7	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	24%	0.244	C	C	.	.			trans	-102.6	84.2	164.8	-63.4	-95.6	0	0	0	107.8	F34 C296 V298 F304 V308 F328 T329 T330 A339 T425 T427	F34-F306 HydrophobicContact CZ-CE2 4.38Å; F34-F306 HydrophobicContact CZ-CZ 4.06Å; C296-F306 PolarHBondContact O-N 3.38Å; V298-F306 HydrophobicContact CG2-CE2 4.15Å; F304-F306 HydrophobicContact CD1-CD2 4.17Å; F304-F306 AromaticContact CD1-CE2 3.67Å; F304-F306 HydrophobicContact CD1-CE2 3.67Å; F304-F306 AromaticContact CD1-CZ 3.93Å; F304-F306 HydrophobicContact CD1-CZ 3.93Å; F304-F306 HydrophobicContact CE1-CD1 4.45Å; F304-F306 HydrophobicContact CE1-CD2 4.35Å; F304-F306 AromaticContact CE1-CE1 3.97Å; F304-F306 HydrophobicContact CE1-CE1 3.97Å; F304-F306 AromaticContact CE1-CE2 3.86Å; F304-F306 HydrophobicContact CE1-CE2 3.86Å; F304-F306 AromaticContact CE1-CZ 3.66Å; F304-F306 HydrophobicContact CE1-CZ 3.66Å; F306-V308 PolarHBondContact O-N 3.39Å; F306-F328 HydrophobicContact CB-CB 3.63Å; F306-F328 WeakPolarHBondContact O-CB 3.43Å; F306-F328 VanDerWaalsContact O-CD1 3.24Å; F306-F328 WeakPolarHBondContact O-CD1 3.18Å; F306-T329 CarbonylContact C-O 3.51Å; F306-T330 HydrophobicContact CD1-CG2 4.06Å; F306-T330 HydrophobicContact CE1-CG2 4.11Å; F306-A339 HydrophobicContact CB-CB 4.14Å; F306-A339 HydrophobicContact CD1-CB 3.69Å; F306-A339 HydrophobicContact CD2-CB 3.51Å; F306-A339 HydrophobicContact CE1-CB 3.86Å; F306-A339 HydrophobicContact CE2-CB 3.69Å; F306-A339 HydrophobicContact CG-CB 3.51Å; F306-A339 HydrophobicContact CZ-CB 3.85Å; F306-T425 HydrophobicContact CE2-CG2 4.35Å; F306-T425 HydrophobicContact CZ-CG2 4.26Å; F306-T427 HydrophobicContact CE1-CG2 4.38Å; F306-T427 HydrophobicContact CZ-CG2 4.13Å
307	D	95.9	Very high	94.3	Very high	18 Å²	18	48.9 Å²	48.9	10%	0.096	27%	0.268	C	S	.	.			trans	-77.7	-15.4	-167.4	-71.5	-53.8	0	0	0	115.7	V263 F264 S265 R293 T329 Q331	V263-D307 VanDerWaalsContact O-CB 3.27Å; V263-D307 WeakPolarHBondContact O-CB 3.38Å; F264-D307 HydrophobicContact CD1-CB 4.14Å; F264-D307 WeakPolarHBondContact CD1-OD1 3.27Å; F264-D307 WeakPolarHBondContact CE1-OD1 3.34Å; S265-D307 WeakPolarHBondContact CB-O 3.46Å; S265-D307 PolarHBondContact N-O 3.46Å; S265-D307 PolarHBondContact OG-O 3.05Å; R293-D307 IonicContact CZ-OD1 3.72Å; R293-D307 IonicContact NE-OD1 2.75Å; R293-D307 IonicContact NH2-OD1 3.36Å; R293-D307 PolarHBondContact NH2-OD1 3.38Å; D307-T329 PolarHBondContact N-O 2.94Å; D307-Q331 VanDerWaalsContact CB-NE2 3.26Å; D307-Q331 PolarHBondContact OD2-NE2 3.29Å
308	V	97.1	Very high	93.6	Very high	23 Å²	23	49.5 Å²	49.5	14%	0.139	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	96.3	-164.7	-168.3	0	0	0	0	112.1	V263 F306 F328 T329	V263-V308 HydrophobicContact CB-CG2 4.26Å; V263-V308 HydrophobicContact CG1-CG1 4.49Å; V263-V308 HydrophobicContact CG1-CG2 4.17Å; F306-V308 PolarHBondContact O-N 3.39Å; V308-F328 CarbonylContact O-C 3.59Å; V308-F328 WeakPolarHBondContact O-CA 3.21Å; V308-T329 PolarHBondContact N-O 3.37Å; V308-T329 VanDerWaalsContact N-O 3.1Å; V308-T329 PolarHBondContact O-N 3.01Å; V308-T329 PolarHBondContact O-OG1 3.12Å
309	L	97.9	Very high	92.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	134.2	175.8	-177.4	71.3	0	0	0	110.9	L236 F248 S265 S311 L312 V327 F328	L236-L309 HydrophobicContact CB-CD2 4.42Å; L236-L309 HydrophobicContact CD1-CB 3.81Å; L236-L309 HydrophobicContact CD1-CD2 3.83Å; L236-L309 HydrophobicContact CD1-CG 3.83Å; L236-L309 WeakPolarHBondContact CD1-O 3.35Å; F248-L309 HydrophobicContact CB-CD2 4.18Å; S265-L309 VanDerWaalsContact OG-CB 3.26Å; S265-L309 WeakPolarHBondContact OG-CB 3.46Å; S265-L309 PolarHBondContact OG-N 3.18Å; L309-S311 WeakPolarHBondContact CD1-O 3.45Å; L309-L312 HydrophobicContact CD1-CD1 4.15Å; L309-L312 HydrophobicContact CD2-CD1 4.46Å; L309-V327 CarbonylContact C-O 3.6Å; L309-V327 WeakPolarHBondContact CA-O 3.26Å; L309-F328 HydrophobicContact CB-CD1 4.03Å; L309-F328 HydrophobicContact CB-CE1 3.93Å; L309-F328 HydrophobicContact CB-CZ 4.5Å; L309-F328 HydrophobicContact CD1-CD1 4.32Å; L309-F328 HydrophobicContact CD1-CD2 4.22Å; L309-F328 HydrophobicContact CD1-CE1 3.95Å; L309-F328 HydrophobicContact CD1-CE2 3.8Å; L309-F328 HydrophobicContact CD1-CG 4.45Å; L309-F328 HydrophobicContact CD1-CZ 3.66Å; L309-F328 HydrophobicContact CG-CE1 4.48Å
310	Q	97.7	Very high	92.4	Very high	28 Å²	28	59.2 Å²	59.2	13%	0.131	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-33.3	-180	-63.3	-63.9	-66.8	0	0	113	L236 V327 T329	L236-Q310 WeakPolarHBondContact CD2-O 3.37Å; Q310-V327 HydrophobicContact CB-CG1 4.36Å; Q310-V327 PolarHBondContact N-O 3.44Å; Q310-T329 HydrophobicContact CG-CG2 3.67Å
311	S	97.9	Very high	92.5	Very high	15 Å²	15	63.4 Å²	63.4	11%	0.105	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	155	178	-174.9	0	0	0	0	110.4	L309 G326 V327 T434 Q435	L309-S311 WeakPolarHBondContact CD1-O 3.45Å; S311-G326 WeakPolarHBondContact O-CA 3.41Å; S311-V327 PolarHBondContact O-N 2.88Å; S311-T434 VanDerWaalsContact CB-O 3.26Å; S311-T434 WeakPolarHBondContact CB-O 3.35Å; S311-Q435 VanDerWaalsContact CB-OE1 3.28Å; S311-Q435 PolarHBondContact OG-OE1 3Å
312	L	97.9	Very high	93	Very high	13 Å²	13	57.8 Å²	57.8	7%	0.068	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	143	-175.3	-166.7	83.1	0	0	0	110.2	H237 I239 F248 L309 V324 L325	H237-L312 HydrophobicContact CB-CB 4.13Å; H237-L312 HydrophobicContact CB-CD2 4.23Å; I239-L312 HydrophobicContact CD1-CD2 4.42Å; F248-L312 HydrophobicContact CB-CD2 3.89Å; F248-L312 HydrophobicContact CD1-CD2 3.49Å; F248-L312 VanDerWaalsContact CD1-CD2 3.49Å; F248-L312 HydrophobicContact CD2-CD2 3.51Å; F248-L312 HydrophobicContact CE1-CD2 3.78Å; F248-L312 HydrophobicContact CE2-CD2 3.81Å; F248-L312 HydrophobicContact CG-CD2 3.34Å; F248-L312 HydrophobicContact CZ-CD2 3.94Å; L309-L312 HydrophobicContact CD1-CD1 4.15Å; L309-L312 HydrophobicContact CD2-CD1 4.46Å; L312-V324 HydrophobicContact CD1-CB 4.23Å; L312-V324 HydrophobicContact CD1-CG2 4.23Å; L312-V324 HydrophobicContact CD2-CB 4.36Å; L312-V324 HydrophobicContact CD2-CG2 4.5Å; L312-V324 HydrophobicContact CG-CB 4.3Å; L312-L325 CarbonylContact C-O 3.51Å; L312-L325 WeakPolarHBondContact CA-O 3.47Å
313	T	97.6	Very high	93.3	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.08	25%	0.252	C	S	.	.			trans	-73.7	165.2	172.2	66.8	0	0	0	0	112.3	H237 L316 L325 I436 V438	H237-T313 PolarHBondContact CD2-O 3.14Å; T313-L316 HydrophobicContact CG2-CD1 4.02Å; T313-L325 HydrophobicContact CG2-CB 3.88Å; T313-L325 PolarHBondContact N-O 3.08Å; T313-L325 PolarHBondContact OG1-N 3.28Å; T313-I436 HydrophobicContact CG2-CD1 4.23Å; T313-I436 HydrophobicContact CG2-CG1 4.09Å; T313-I436 HydrophobicContact CG2-CG2 4.02Å; T313-V438 HydrophobicContact CG2-CG2 3.81Å
314	N	95.5	Very high	93.6	Very high	107 Å²	107	47.8 Å²	47.8	57%	0.572	23%	0.23	S	C	*	.			trans	-63.3	175.6	153.6	-69.9	-24.9	0	0	0	110.6	H237 L316	H237-N314 PolarHBondContact CE1-OD1 2.7Å; H237-N314 PolarHBondContact NE2-OD1 3.18Å; N314-L316 PolarHBondContact O-N 2.97Å
315	V	96.5	Very high	93.7	Very high	46 Å²	46	43.8 Å²	43.8	28%	0.279	21%	0.213	S	C	.	.			trans	-63.6	124.6	173	-172.4	0	0	0	0	109.9	I239 Y241 P322 A323 V324 M345	I239-V315 HydrophobicContact CD1-CG2 4.21Å; I239-V315 HydrophobicContact CG2-CG2 3.55Å; Y241-V315 HydrophobicContact CD2-CG2 4.3Å; V315-P322 HydrophobicContact CG1-CB 3.79Å; V315-A323 WeakPolarHBondContact CA-O 3.49Å; V315-V324 HydrophobicContact CG2-CG1 4.29Å; V315-M345 HydrophobicContact CG1-CG 4.28Å; V315-M345 HydrophobicContact CG2-SD 4.28Å
316	L	93.7	Very high	93.8	Very high	32 Å²	32	40 Å²	40	17%	0.168	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	162.5	175.3	-61.1	178.6	0	0	0	109.8	T313 N314 I318 P322 A323 V438 T440	T313-L316 HydrophobicContact CG2-CD1 4.02Å; N314-L316 PolarHBondContact O-N 2.97Å; L316-I318 HydrophobicContact CB-CD1 4.39Å; L316-I318 HydrophobicContact CB-CG1 4.3Å; L316-P322 WeakPolarHBondContact O-CA 3.28Å; L316-A323 PolarHBondContact N-O 3.45Å; L316-A323 PolarHBondContact O-N 3.31Å; L316-V438 HydrophobicContact CD1-CB 3.7Å; L316-V438 HydrophobicContact CD1-CG1 3.85Å; L316-V438 HydrophobicContact CD1-CG2 3.93Å; L316-T440 HydrophobicContact CB-CG2 4.12Å; L316-T440 HydrophobicContact CD1-CG2 4.14Å; L316-T440 HydrophobicContact CD2-CG2 4.33Å; L316-T440 HydrophobicContact CG-CG2 4.43Å
317	Q	89.4	Confident	93.8	Very high	108 Å²	108	39.9 Å²	39.9	51%	0.505	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.2	168.2	-68.2	-66.2	-13.1	0	0	108.8	R321	Q317-R321 PolarHBondContact OE1-O 3.49Å
318	I	81.1	Confident	94	Very high	13 Å²	13	39 Å²	39	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.6	-179.3	-63.9	178.6	0	0	0	107.8	L316 H320 R321 A323 L325 T440 F474	L316-I318 HydrophobicContact CB-CD1 4.39Å; L316-I318 HydrophobicContact CB-CG1 4.3Å; I318-H320 PolarHBondContact O-N 3.18Å; I318-R321 PolarHBondContact N-O 3.42Å; I318-R321 PolarHBondContact O-N 3.03Å; I318-A323 HydrophobicContact CB-CB 4.28Å; I318-A323 HydrophobicContact CD1-CB 4.27Å; I318-A323 HydrophobicContact CG1-CB 4.48Å; I318-L325 HydrophobicContact CD1-CD1 3.26Å; I318-L325 HydrophobicContact CD1-CD2 4.07Å; I318-L325 HydrophobicContact CD1-CG 4.32Å; I318-T440 HydrophobicContact CG1-CG2 4.41Å; I318-F474 HydrophobicContact CG2-CE1 4Å; I318-F474 HydrophobicContact CG2-CZ 3.89Å
319	N	77.3	Confident	94	Very high	74 Å²	74	38.1 Å²	38.1	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	38.9	-169.7	-57.9	-9.8	0	0	0	112.1	R321 S467	N319-R321 PolarHBondContact O-N 3.07Å; N319-S467 PolarHBondContact ND2-OG 2.84Å; N319-S467 WeakPolarHBondContact OD1-CB 3.1Å; N319-S467 PolarHBondContact OD1-OG 3.22Å
320	H	83.9	Confident	93.9	Very high	186 Å²	186	38.5 Å²	38.5	86%	0.861	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	22.9	-173.9	-50.4	-74.7	0	0	0	115.4	I318	I318-H320 PolarHBondContact O-N 3.18Å
321	R	89.4	Confident	93.7	Very high	131 Å²	131	39 Å²	39	49%	0.494	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.9	174.5	-67	-176	-178.8	-136.4	3.2	111.9	Q317 I318 N319 A323 Y344	Q317-R321 PolarHBondContact OE1-O 3.49Å; I318-R321 PolarHBondContact N-O 3.42Å; I318-R321 PolarHBondContact O-N 3.03Å; N319-R321 PolarHBondContact O-N 3.07Å; R321-A323 PolarHBondContact O-N 3.27Å; R321-Y344 HydrophobicContact CB-CD1 3.67Å; R321-Y344 HydrophobicContact CB-CE1 3.48Å; R321-Y344 VanDerWaalsContact CB-CE1 3.48Å; R321-Y344 HydrophobicContact CG-CE1 4.36Å
322	P	95.6	Very high	93.2	Very high	23 Å²	23	42.1 Å²	42.1	15%	0.149	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	120	172.9	-22.4	34.5	0	0	0	112	Y241 V315 L316 Y344 M345	Y241-P322 HydrophobicContact CE2-CB 4.09Å; Y241-P322 HydrophobicContact CE2-CG 4.43Å; Y241-P322 WeakPolarHBondContact OH-CG 3.16Å; V315-P322 HydrophobicContact CG1-CB 3.79Å; L316-P322 WeakPolarHBondContact O-CA 3.28Å; P322-Y344 WeakPolarHBondContact O-CA 3.41Å; P322-M345 HydrophobicContact CB-CB 4.24Å; P322-M345 HydrophobicContact CB-CG 3.93Å; P322-M345 PolarHBondContact O-N 3.06Å
323	A	95.2	Very high	92.7	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.1	-177.2	0	0	0	0	0	112.5	V315 L316 I318 R321 F343 Y344	V315-A323 WeakPolarHBondContact CA-O 3.49Å; L316-A323 PolarHBondContact N-O 3.45Å; L316-A323 PolarHBondContact O-N 3.31Å; I318-A323 HydrophobicContact CB-CB 4.28Å; I318-A323 HydrophobicContact CD1-CB 4.27Å; I318-A323 HydrophobicContact CG1-CB 4.48Å; R321-A323 PolarHBondContact O-N 3.27Å; A323-F343 CarbonylContact C-O 3.43Å; A323-F343 VanDerWaalsContact CA-O 3.24Å; A323-F343 WeakPolarHBondContact CA-O 3.04Å; A323-Y344 HydrophobicContact CB-CD1 3.78Å; A323-Y344 HydrophobicContact CB-CE1 4.05Å
324	V	97.6	Very high	92.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.5	166.6	-66.1	0	0	0	0	109.9	I239 F248 L312 V315 G342 F343 M345 I348	I239-V324 HydrophobicContact CD1-CG1 3.53Å; F248-V324 HydrophobicContact CE1-CG2 4.29Å; F248-V324 HydrophobicContact CZ-CG2 4.32Å; L312-V324 HydrophobicContact CD1-CB 4.23Å; L312-V324 HydrophobicContact CD1-CG2 4.23Å; L312-V324 HydrophobicContact CD2-CB 4.36Å; L312-V324 HydrophobicContact CD2-CG2 4.5Å; L312-V324 HydrophobicContact CG-CB 4.3Å; V315-V324 HydrophobicContact CG2-CG1 4.29Å; V324-G342 CarbonylContact O-C 3.46Å; V324-G342 WeakPolarHBondContact O-CA 3.5Å; V324-F343 HydrophobicContact CG2-CB 4.16Å; V324-F343 PolarHBondContact N-O 2.9Å; V324-F343 PolarHBondContact O-N 3.11Å; V324-M345 HydrophobicContact CG1-SD 4.02Å; V324-I348 HydrophobicContact CG2-CD1 4.19Å
325	L	97.4	Very high	92.2	Very high	7 Å²	7	54 Å²	54	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.7	177.7	-97.6	58.5	0	0	0	110	L312 T313 I318 F423 I436 V438 V451	L312-L325 CarbonylContact C-O 3.51Å; L312-L325 WeakPolarHBondContact CA-O 3.47Å; T313-L325 HydrophobicContact CG2-CB 3.88Å; T313-L325 PolarHBondContact N-O 3.08Å; T313-L325 PolarHBondContact OG1-N 3.28Å; I318-L325 HydrophobicContact CD1-CD1 3.26Å; I318-L325 HydrophobicContact CD1-CD2 4.07Å; I318-L325 HydrophobicContact CD1-CG 4.32Å; L325-F423 HydrophobicContact CD2-CE1 3.88Å; L325-F423 HydrophobicContact CD2-CZ 3.76Å; L325-F423 HydrophobicContact CG-CE1 3.98Å; L325-F423 HydrophobicContact CG-CZ 4.32Å; L325-I436 HydrophobicContact CB-CD1 3.9Å; L325-I436 HydrophobicContact CD2-CD1 4.47Å; L325-V438 HydrophobicContact CD2-CG2 4.17Å; L325-V451 HydrophobicContact CD2-CG2 4.4Å
326	G	97.7	Very high	92.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.2	-177.8	0	0	0	0	0	113.1	S311 F328 V340 C341	S311-G326 WeakPolarHBondContact O-CA 3.41Å; G326-F328 VanDerWaalsContact O-CD2 3.28Å; G326-F328 WeakPolarHBondContact O-CD2 3.47Å; G326-F328 WeakPolarHBondContact O-CE2 3.43Å; G326-V340 WeakPolarHBondContact O-CA 3.31Å; G326-V340 WeakPolarHBondContact O-CG1 3.29Å; G326-C341 PolarHBondContact N-O 2.82Å; G326-C341 PolarHBondContact O-N 2.84Å; G326-C341 VanDerWaalsContact O-N 3.07Å
327	V	98.6	Very high	92.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.4	170.6	176.8	0	0	0	0	108.3	L309 Q310 S311 V340 L433 I436 L453	L309-V327 CarbonylContact C-O 3.6Å; L309-V327 WeakPolarHBondContact CA-O 3.26Å; Q310-V327 HydrophobicContact CB-CG1 4.36Å; Q310-V327 PolarHBondContact N-O 3.44Å; S311-V327 PolarHBondContact O-N 2.88Å; V327-V340 HydrophobicContact CG2-CG2 4.35Å; V327-L433 HydrophobicContact CG1-CB 3.51Å; V327-I436 HydrophobicContact CG2-CB 3.75Å; V327-I436 HydrophobicContact CG2-CD1 4.25Å; V327-I436 HydrophobicContact CG2-CG2 4.1Å; V327-L453 HydrophobicContact CG2-CD2 3.85Å
328	F	98.5	Very high	92.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	150.8	-179.6	-62.3	-104.6	0	0	0	110.3	L294 C296 F306 V308 L309 G326 S338 A339 C341 F343	L294-F328 HydrophobicContact CB-CE1 4.25Å; L294-F328 HydrophobicContact CB-CZ 4.36Å; L294-F328 HydrophobicContact CD1-CE1 4.38Å; L294-F328 HydrophobicContact CD1-CZ 4.19Å; C296-F328 HydrophobicContact CB-CB 4.4Å; C296-F328 HydrophobicContact CB-CD1 4.02Å; C296-F328 HydrophobicContact CB-CD2 3.82Å; C296-F328 HydrophobicContact CB-CE1 4.2Å; C296-F328 HydrophobicContact CB-CE2 4.06Å; C296-F328 HydrophobicContact CB-CG 3.82Å; C296-F328 HydrophobicContact CB-CZ 4.23Å; F306-F328 HydrophobicContact CB-CB 3.63Å; F306-F328 WeakPolarHBondContact O-CB 3.43Å; F306-F328 VanDerWaalsContact O-CD1 3.24Å; F306-F328 WeakPolarHBondContact O-CD1 3.18Å; V308-F328 CarbonylContact O-C 3.59Å; V308-F328 WeakPolarHBondContact O-CA 3.21Å; L309-F328 HydrophobicContact CB-CD1 4.03Å; L309-F328 HydrophobicContact CB-CE1 3.93Å; L309-F328 HydrophobicContact CB-CZ 4.5Å; L309-F328 HydrophobicContact CD1-CD1 4.32Å; L309-F328 HydrophobicContact CD1-CD2 4.22Å; L309-F328 HydrophobicContact CD1-CE1 3.95Å; L309-F328 HydrophobicContact CD1-CE2 3.8Å; L309-F328 HydrophobicContact CD1-CG 4.45Å; L309-F328 HydrophobicContact CD1-CZ 3.66Å; L309-F328 HydrophobicContact CG-CE1 4.48Å; G326-F328 VanDerWaalsContact O-CD2 3.28Å; G326-F328 WeakPolarHBondContact O-CD2 3.47Å; G326-F328 WeakPolarHBondContact O-CE2 3.43Å; F328-S338 CarbonylContact O-C 3.48Å; F328-S338 VanDerWaalsContact O-CA 3.26Å; F328-S338 WeakPolarHBondContact O-CA 3.26Å; F328-A339 PolarHBondContact N-O 2.73Å; F328-A339 PolarHBondContact O-N 2.75Å; F328-C341 HydrophobicContact CD2-CB 4.29Å; F328-C341 HydrophobicContact CE2-CB 4.01Å; F328-F343 AromaticContact CE2-CE2 3.62Å; F328-F343 HydrophobicContact CE2-CE2 3.62Å; F328-F343 HydrophobicContact CE2-CZ 4.07Å; F328-F343 AromaticContact CZ-CE2 3.48Å; F328-F343 HydrophobicContact CZ-CE2 3.48Å; F328-F343 VanDerWaalsContact CZ-CE2 3.48Å; F328-F343 AromaticContact CZ-CZ 3.71Å; F328-F343 HydrophobicContact CZ-CZ 3.71Å
329	T	97.6	Very high	93.3	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	162.7	170.7	64.3	0	0	0	0	111.6	F306 D307 V308 Q310 G337 K432	F306-T329 CarbonylContact C-O 3.51Å; D307-T329 PolarHBondContact N-O 2.94Å; V308-T329 PolarHBondContact N-O 3.37Å; V308-T329 VanDerWaalsContact N-O 3.1Å; V308-T329 PolarHBondContact O-N 3.01Å; V308-T329 PolarHBondContact O-OG1 3.12Å; Q310-T329 HydrophobicContact CG-CG2 3.67Å; T329-G337 CarbonylContact C-O 3.57Å; T329-G337 VanDerWaalsContact CA-O 3.25Å; T329-G337 WeakPolarHBondContact CA-O 3.41Å; T329-G337 WeakPolarHBondContact CB-O 3.39Å; T329-K432 HydrophobicContact CG2-CB 3.87Å; T329-K432 HydrophobicContact CG2-CD 3.83Å; T329-K432 HydrophobicContact CG2-CG 4.02Å
330	T	96.1	Very high	94.3	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.049	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-59.8	163.6	161.4	59.1	0	0	0	0	111.5	F304 F306 S334 I335 G337 K432	F304-T330 HydrophobicContact CE1-CG2 3.82Å; F304-T330 HydrophobicContact CZ-CG2 3.75Å; F306-T330 HydrophobicContact CD1-CG2 4.06Å; F306-T330 HydrophobicContact CE1-CG2 4.11Å; T330-S334 WeakPolarHBondContact CB-OG 3.39Å; T330-S334 PolarHBondContact OG1-OG 3.2Å; T330-I335 WeakPolarHBondContact CB-O 3.31Å; T330-I335 PolarHBondContact OG1-O 2.82Å; T330-G337 PolarHBondContact N-O 3.29Å; T330-G337 PolarHBondContact OG1-N 2.87Å; T330-G337 VanDerWaalsContact OG1-N 3.11Å; T330-G337 PolarHBondContact OG1-O 3.07Å; T330-K432 PolarHBondContact O-NZ 2.95Å; T330-K432 VanDerWaalsContact O-NZ 3.15Å
331	Q	92.9	Very high	94.9	Very high	40 Å²	40	34.3 Å²	34.3	19%	0.187	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-56.8	173.3	-177.8	-61.9	-75.4	-15.9	0	0	113.1	V263 D307 S334 K432	V263-Q331 PolarHBondContact O-NE2 2.87Å; D307-Q331 VanDerWaalsContact CB-NE2 3.26Å; D307-Q331 PolarHBondContact OD2-NE2 3.29Å; Q331-S334 PolarHBondContact N-OG 2.79Å; Q331-S334 PolarHBondContact O-OG 3.41Å; Q331-S334 VanDerWaalsContact O-OG 3.06Å; Q331-K432 PolarHBondContact O-NZ 2.8Å
332	A	87	Confident	95.2	Very high	80 Å²	80	28.4 Å²	28.4	66%	0.661	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	138.3	165.4	0	0	0	0	0	110.2	S334	A332-S334 PolarHBondContact O-N 3.3Å
333	N	87.2	Confident	95.2	Very high	178 Å²	178	27.3 Å²	27.3	95%	0.952	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	12.2	179.8	-40.4	-59.4	0	0	0	116.4
334	S	91.3	Very high	95.3	Very high	53 Å²	53	28.3 Å²	28.3	37%	0.371	17%	0.167	S	C	.	.	S	Bend	trans	-92.1	171.2	163.8	58.5	0	0	0	0	111.3	T330 Q331 A332 T336	T330-S334 WeakPolarHBondContact CB-OG 3.39Å; T330-S334 PolarHBondContact OG1-OG 3.2Å; Q331-S334 PolarHBondContact N-OG 2.79Å; Q331-S334 PolarHBondContact O-OG 3.41Å; Q331-S334 VanDerWaalsContact O-OG 3.06Å; A332-S334 PolarHBondContact O-N 3.3Å; S334-T336 PolarHBondContact O-N 3.37Å
335	I	91.8	Very high	95.3	Very high	150 Å²	150	28.3 Å²	28.3	77%	0.769	17%	0.167	S	C	*	.	P	Polyproline II helix	trans	-49.8	134.4	167.4	-60.6	174.7	0	0	0	109.4	T330 G337	T330-I335 WeakPolarHBondContact CB-O 3.31Å; T330-I335 PolarHBondContact OG1-O 2.82Å; I335-G337 PolarHBondContact O-N 3.38Å
336	T	93.9	Very high	95.3	Very high	44 Å²	44	31.8 Å²	31.8	27%	0.27	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-65.1	121.1	178.6	-68.3	0	0	0	0	110.3	S334 F431 K432	S334-T336 PolarHBondContact O-N 3.37Å; T336-F431 WeakPolarHBondContact CG2-O 3.36Å; T336-K432 HydrophobicContact CG2-CG 3.75Å
337	G	95.9	Very high	95.3	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.021	20%	0.195	C	C	.	.			trans	-148	147.5	169.8	0	0	0	0	0	110.2	T329 T330 I335 R426	T329-G337 CarbonylContact C-O 3.57Å; T329-G337 VanDerWaalsContact CA-O 3.25Å; T329-G337 WeakPolarHBondContact CA-O 3.41Å; T329-G337 WeakPolarHBondContact CB-O 3.39Å; T330-G337 PolarHBondContact N-O 3.29Å; T330-G337 PolarHBondContact OG1-N 2.87Å; T330-G337 VanDerWaalsContact OG1-N 3.11Å; T330-G337 PolarHBondContact OG1-O 3.07Å; I335-G337 PolarHBondContact O-N 3.38Å; G337-R426 CarbonylContact C-O 3.49Å; G337-R426 WeakPolarHBondContact CA-O 3.44Å
338	S	97.9	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.1	174.6	-48.7	0	0	0	0	110.5	F328 T425 R426 K432 L433	F328-S338 CarbonylContact O-C 3.48Å; F328-S338 VanDerWaalsContact O-CA 3.26Å; F328-S338 WeakPolarHBondContact O-CA 3.26Å; S338-T425 WeakPolarHBondContact O-CA 3.41Å; S338-R426 PolarHBondContact N-O 3.35Å; S338-R426 PolarHBondContact O-N 3.13Å; S338-K432 WeakPolarHBondContact OG-CA 3.48Å; S338-L433 PolarHBondContact OG-N 2.81Å
339	A	97.2	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.8	177.3	0	0	0	0	0	111.3	F306 F328 P422 F424 T425	F306-A339 HydrophobicContact CB-CB 4.14Å; F306-A339 HydrophobicContact CD1-CB 3.69Å; F306-A339 HydrophobicContact CD2-CB 3.51Å; F306-A339 HydrophobicContact CE1-CB 3.86Å; F306-A339 HydrophobicContact CE2-CB 3.69Å; F306-A339 HydrophobicContact CG-CB 3.51Å; F306-A339 HydrophobicContact CZ-CB 3.85Å; F328-A339 PolarHBondContact N-O 2.73Å; F328-A339 PolarHBondContact O-N 2.75Å; A339-P422 HydrophobicContact CB-CB 3.85Å; A339-P422 HydrophobicContact CB-CG 4.28Å; A339-F424 CarbonylContact C-O 3.58Å; A339-F424 VanDerWaalsContact CA-O 3.28Å; A339-F424 WeakPolarHBondContact CA-O 3.26Å; A339-T425 HydrophobicContact CB-CG2 4.1Å
340	V	97.4	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.3	172	-160.9	0	0	0	0	109.9	G326 V327 P422 F423 F424 I436 L453	G326-V340 WeakPolarHBondContact O-CA 3.31Å; G326-V340 WeakPolarHBondContact O-CG1 3.29Å; V327-V340 HydrophobicContact CG2-CG2 4.35Å; V340-P422 CarbonylContact O-C 3.53Å; V340-P422 VanDerWaalsContact O-CA 3.24Å; V340-P422 WeakPolarHBondContact O-CA 3.39Å; V340-P422 WeakPolarHBondContact O-CB 3.31Å; V340-F423 HydrophobicContact CB-CD1 4.49Å; V340-F423 HydrophobicContact CB-CE1 3.86Å; V340-F423 HydrophobicContact CB-CE2 4.22Å; V340-F423 HydrophobicContact CB-CZ 3.71Å; V340-F423 HydrophobicContact CG1-CE1 3.53Å; V340-F423 HydrophobicContact CG1-CE2 4.28Å; V340-F423 HydrophobicContact CG1-CZ 3.36Å; V340-F423 WeakPolarHBondContact O-CD1 3.39Å; V340-F423 PolarHBondContact O-N 3.2Å; V340-F424 HydrophobicContact CB-CB 4.43Å; V340-F424 HydrophobicContact CG2-CB 4.28Å; V340-F424 HydrophobicContact CG2-CD1 4.22Å; V340-F424 PolarHBondContact N-O 3.24Å; V340-I436 HydrophobicContact CG1-CD1 3.86Å; V340-L453 HydrophobicContact CG2-CD1 3.51Å; V340-L453 HydrophobicContact CG2-CD2 4.03Å; V340-L453 HydrophobicContact CG2-CG 4.46Å
341	C	96.4	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.3	179	-75.3	0	0	0	0	110	C296 G326 F328 F343 P422	C296-C341 WeakPolarHBondContact CA-SG 3.5Å; C296-C341 HydrophobicContact CB-CB 3.74Å; C296-C341 WeakPolarHBondContact CB-SG 3.38Å; C296-C341 WeakPolarHBondContact SG-CB 3.42Å; C296-C341 CovalentContact SG-SG 2.04Å; C296-C341 PolarHBondContact SG-SG 3.01Å; G326-C341 PolarHBondContact N-O 2.82Å; G326-C341 PolarHBondContact O-N 2.84Å; G326-C341 VanDerWaalsContact O-N 3.07Å; F328-C341 HydrophobicContact CD2-CB 4.29Å; F328-C341 HydrophobicContact CE2-CB 4.01Å; C341-F343 HydrophobicContact CB-CE2 3.73Å; C341-F343 HydrophobicContact CB-CZ 3.84Å; C341-P422 VanDerWaalsContact SG-CA 3.54Å
342	G	95.6	Very high	95.6	Very high	8 Å²	8	39.1 Å²	39.1	8%	0.082	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	153.7	164.5	0	0	0	0	0	111.2	V324 S417 V418	V324-G342 CarbonylContact O-C 3.46Å; V324-G342 WeakPolarHBondContact O-CA 3.5Å; G342-S417 CarbonylContact O-C 3.49Å; G342-S417 VanDerWaalsContact O-CA 3.22Å; G342-S417 WeakPolarHBondContact O-CA 3.47Å; G342-V418 PolarHBondContact O-N 2.84Å
343	F	97	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.3	172.4	-57.1	-93	0	0	0	108.8	L294 N295 C296 A323 V324 F328 C341 I348 V415 P416	L294-F343 HydrophobicContact CB-CE1 4.13Å; L294-F343 HydrophobicContact CB-CZ 4.06Å; L294-F343 HydrophobicContact CD2-CD1 4.14Å; L294-F343 HydrophobicContact CD2-CE1 4.23Å; L294-F343 HydrophobicContact CD2-CG 4.38Å; N295-F343 WeakPolarHBondContact O-CE1 3.48Å; C296-F343 HydrophobicContact CB-CZ 4.33Å; A323-F343 CarbonylContact C-O 3.43Å; A323-F343 VanDerWaalsContact CA-O 3.24Å; A323-F343 WeakPolarHBondContact CA-O 3.04Å; V324-F343 HydrophobicContact CG2-CB 4.16Å; V324-F343 PolarHBondContact N-O 2.9Å; V324-F343 PolarHBondContact O-N 3.11Å; F328-F343 AromaticContact CE2-CE2 3.62Å; F328-F343 HydrophobicContact CE2-CE2 3.62Å; F328-F343 HydrophobicContact CE2-CZ 4.07Å; F328-F343 AromaticContact CZ-CE2 3.48Å; F328-F343 HydrophobicContact CZ-CE2 3.48Å; F328-F343 VanDerWaalsContact CZ-CE2 3.48Å; F328-F343 AromaticContact CZ-CZ 3.71Å; F328-F343 HydrophobicContact CZ-CZ 3.71Å; C341-F343 HydrophobicContact CB-CE2 3.73Å; C341-F343 HydrophobicContact CB-CZ 3.84Å; F343-I348 HydrophobicContact CB-CD1 4.3Å; F343-V415 HydrophobicContact CB-CG1 4.4Å; F343-V415 HydrophobicContact CD1-CB 4.29Å; F343-V415 HydrophobicContact CD1-CG1 3.81Å; F343-P416 VanDerWaalsContact CD1-O 3.29Å; F343-P416 WeakPolarHBondContact CD1-O 3.35Å
344	Y	97.3	Very high	96.5	Very high	22 Å²	22	31.8 Å²	31.8	9%	0.086	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	143	172.9	-69.8	-51.8	0	0	0	110.9	R321 P322 A323 D346 D347 I348 V418	R321-Y344 HydrophobicContact CB-CD1 3.67Å; R321-Y344 HydrophobicContact CB-CE1 3.48Å; R321-Y344 VanDerWaalsContact CB-CE1 3.48Å; R321-Y344 HydrophobicContact CG-CE1 4.36Å; P322-Y344 WeakPolarHBondContact O-CA 3.41Å; A323-Y344 HydrophobicContact CB-CD1 3.78Å; A323-Y344 HydrophobicContact CB-CE1 4.05Å; Y344-D346 PolarHBondContact O-N 2.87Å; Y344-D347 PolarHBondContact O-N 2.83Å; Y344-I348 PolarHBondContact O-N 2.83Å; Y344-I348 VanDerWaalsContact O-N 3.12Å; Y344-V418 HydrophobicContact CD1-CG2 4.33Å; Y344-V418 HydrophobicContact CD2-CG1 4.27Å; Y344-V418 HydrophobicContact CD2-CG2 3.7Å; Y344-V418 HydrophobicContact CE1-CG2 4.23Å; Y344-V418 HydrophobicContact CE2-CB 4.22Å; Y344-V418 HydrophobicContact CE2-CG1 3.47Å; Y344-V418 VanDerWaalsContact CE2-CG1 3.47Å; Y344-V418 HydrophobicContact CE2-CG2 3.62Å; Y344-V418 HydrophobicContact CG-CG2 4.06Å
345	M	97.6	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-30.8	176.9	-63.5	-55.2	-56.9	0	0	112	Y241 Y246 V315 P322 V324 I348 E349	Y241-M345 HydrophobicContact CD1-CB 4.17Å; Y241-M345 HydrophobicContact CD1-CE 3.69Å; Y241-M345 HydrophobicContact CD1-CG 4.28Å; Y241-M345 HydrophobicContact CD2-CG 4.5Å; Y241-M345 HydrophobicContact CE1-CB 3.59Å; Y241-M345 HydrophobicContact CE1-CE 4.28Å; Y241-M345 HydrophobicContact CE1-CG 4.04Å; Y241-M345 HydrophobicContact CE2-CG 4.27Å; Y241-M345 HydrophobicContact CG-CE 3.96Å; Y241-M345 HydrophobicContact CG-CG 4.5Å; Y246-M345 HydrophobicContact CD2-CE 4.05Å; Y246-M345 HydrophobicContact CE1-CE 4.36Å; Y246-M345 HydrophobicContact CE2-CE 3.92Å; Y246-M345 HydrophobicContact CG-CE 4.36Å; V315-M345 HydrophobicContact CG1-CG 4.28Å; V315-M345 HydrophobicContact CG2-SD 4.28Å; P322-M345 HydrophobicContact CB-CB 4.24Å; P322-M345 HydrophobicContact CB-CG 3.93Å; P322-M345 PolarHBondContact O-N 3.06Å; V324-M345 HydrophobicContact CG1-SD 4.02Å; M345-I348 HydrophobicContact CE-CD1 4.31Å; M345-I348 WeakPolarHBondContact O-CB 3.07Å; M345-I348 PolarHBondContact O-N 3.3Å; M345-I348 HydrophobicContact SD-CD1 3.93Å; M345-E349 PolarHBondContact O-N 2.92Å
346	D	96.7	Very high	97.1	Very high	80 Å²	80	26.9 Å²	26.9	43%	0.428	14%	0.138	S	C	.	.	H	α-helix	trans	-66.4	-38.2	177.2	-53	-22.2	0	0	0	111.9	Y344 E349 K350	Y344-D346 PolarHBondContact O-N 2.87Å; D346-E349 PolarHBondContact O-N 2.8Å; D346-K350 WeakPolarHBondContact O-CB 3.34Å; D346-K350 PolarHBondContact O-N 3.12Å
347	D	97.9	Very high	97.2	Very high	39 Å²	39	26.5 Å²	26.5	21%	0.209	13%	0.132	C	C	.	.	H	α-helix	trans	-75.3	-29.7	176.7	-73.8	-58.8	0	0	0	112.3	Y344 A351 V415 P416	Y344-D347 PolarHBondContact O-N 2.83Å; D347-A351 PolarHBondContact O-N 2.7Å; D347-A351 VanDerWaalsContact O-N 3.08Å; D347-V415 HydrophobicContact CB-CG1 4.37Å; D347-P416 HydrophobicContact CB-CG 4.22Å
348	I	98.4	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-49.4	168.6	-69.3	170.4	0	0	0	109.8	Y246 F248 V267 V324 F343 Y344 M345 A351 F352 V415	Y246-I348 HydrophobicContact CD1-CG2 4.03Å; Y246-I348 HydrophobicContact CE1-CG2 3.82Å; F248-I348 HydrophobicContact CE1-CD1 4.4Å; F248-I348 HydrophobicContact CZ-CD1 4.36Å; V267-I348 HydrophobicContact CG1-CG2 4.15Å; V267-I348 HydrophobicContact CG2-CG2 4.14Å; V324-I348 HydrophobicContact CG2-CD1 4.19Å; F343-I348 HydrophobicContact CB-CD1 4.3Å; Y344-I348 PolarHBondContact O-N 2.83Å; Y344-I348 VanDerWaalsContact O-N 3.12Å; M345-I348 HydrophobicContact CE-CD1 4.31Å; M345-I348 WeakPolarHBondContact O-CB 3.07Å; M345-I348 PolarHBondContact O-N 3.3Å; M345-I348 HydrophobicContact SD-CD1 3.93Å; I348-A351 PolarHBondContact O-N 2.76Å; I348-F352 HydrophobicContact CG2-CD2 4.05Å; I348-F352 HydrophobicContact CG2-CE2 3.6Å; I348-F352 WeakPolarHBondContact O-CD2 3.42Å; I348-F352 PolarHBondContact O-N 2.86Å; I348-V415 HydrophobicContact CB-CG1 4.43Å; I348-V415 HydrophobicContact CG1-CG1 3.63Å; I348-V415 HydrophobicContact CG1-CG2 4.19Å
349	E	97.1	Very high	96.7	Very high	35 Å²	35	28.9 Å²	28.9	16%	0.164	14%	0.143	C	C	.	.	H	α-helix	trans	-66.2	-36.9	177.8	-81.3	-64.9	96.1	0	0	112.9	Y244 Y246 R269 M345 D346 A351 F352 N353	Y244-E349 VanDerWaalsContact CE2-OE2 3.27Å; Y244-E349 WeakPolarHBondContact CE2-OE2 3.22Å; Y246-E349 VanDerWaalsContact OH-CD 3.26Å; Y246-E349 WeakPolarHBondContact OH-CG 3.39Å; Y246-E349 PolarHBondContact OH-OE1 3.04Å; Y246-E349 VanDerWaalsContact OH-OE1 3.05Å; R269-E349 WeakPolarHBondContact CD-OE1 3.32Å; R269-E349 IonicContact CZ-OE1 3.53Å; R269-E349 IonicContact CZ-OE2 2.71Å; R269-E349 IonicContact NE-OE1 3.46Å; R269-E349 IonicContact NH1-OE1 2.87Å; R269-E349 PolarHBondContact NH1-OE1 2.9Å; R269-E349 IonicContact NH1-OE2 3.02Å; R269-E349 PolarHBondContact NH1-OE2 2.84Å; M345-E349 PolarHBondContact O-N 2.92Å; D346-E349 PolarHBondContact O-N 2.8Å; E349-A351 VanDerWaalsContact C-N 3.34Å; E349-A351 PolarHBondContact O-N 3Å; E349-F352 PolarHBondContact O-N 3.46Å; E349-N353 PolarHBondContact O-N 3.08Å; E349-N353 PolarHBondContact O-ND2 2.87Å
350	K	97.6	Very high	96.1	Very high	125 Å²	125	36.7 Å²	36.7	54%	0.543	17%	0.172	S	C	.	.	H	α-helix	trans	-56.7	-45.3	172	-179.1	-175.2	169.4	-166.3	0	111.7	D346 F352 N353 G354	D346-K350 WeakPolarHBondContact O-CB 3.34Å; D346-K350 PolarHBondContact O-N 3.12Å; K350-F352 VanDerWaalsContact C-N 3.34Å; K350-F352 PolarHBondContact O-N 2.72Å; K350-N353 CarbonylContact O-C 3.54Å; K350-N353 WeakPolarHBondContact O-CA 3.28Å; K350-N353 PolarHBondContact O-N 2.9Å; K350-N353 VanDerWaalsContact O-N 3.07Å; K350-G354 PolarHBondContact O-N 2.73Å
351	A	98.1	Very high	95.4	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-36.9	178.5	0	0	0	0	0	113	A292 D347 I348 E349 N353 G354 V415	A292-A351 HydrophobicContact CB-CB 4.37Å; D347-A351 PolarHBondContact O-N 2.7Å; D347-A351 VanDerWaalsContact O-N 3.08Å; I348-A351 PolarHBondContact O-N 2.76Å; E349-A351 VanDerWaalsContact C-N 3.34Å; E349-A351 PolarHBondContact O-N 3Å; A351-N353 VanDerWaalsContact C-N 3.3Å; A351-N353 PolarHBondContact O-N 2.84Å; A351-G354 PolarHBondContact O-N 2.71Å; A351-V415 HydrophobicContact CB-CG2 3.85Å
352	F	98.1	Very high	94.7	Very high	1 Å²	1	45 Å²	45	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-22.5	173.3	-68	-59.6	0	0	0	113.8	Y246 V267 R269 L290 A292 I348 E349 K350 R378 M411	Y246-F352 HydrophobicContact CD1-CE2 4.22Å; Y246-F352 HydrophobicContact CE1-CE2 4.07Å; V267-F352 HydrophobicContact CG1-CE2 4.37Å; V267-F352 HydrophobicContact CG1-CZ 4.13Å; V267-F352 HydrophobicContact CG2-CE2 4.49Å; V267-F352 HydrophobicContact CG2-CZ 4.41Å; R269-F352 HydrophobicContact CB-CD2 4.49Å; R269-F352 HydrophobicContact CB-CE2 3.98Å; R269-F352 HydrophobicContact CB-CZ 4.09Å; R269-F352 HydrophobicContact CG-CD1 4.27Å; R269-F352 HydrophobicContact CG-CD2 4.07Å; R269-F352 HydrophobicContact CG-CE1 4.21Å; R269-F352 HydrophobicContact CG-CE2 3.98Å; R269-F352 HydrophobicContact CG-CG 4.22Å; R269-F352 HydrophobicContact CG-CZ 4.06Å; R269-F352 VanDerWaalsContact NH1-CB 3.28Å; L290-F352 HydrophobicContact CB-CD1 3.78Å; L290-F352 HydrophobicContact CB-CE1 3.94Å; L290-F352 HydrophobicContact CD1-CD1 4.49Å; L290-F352 WeakPolarHBondContact O-CE1 3.11Å; A292-F352 HydrophobicContact CB-CE1 4.27Å; I348-F352 HydrophobicContact CG2-CD2 4.05Å; I348-F352 HydrophobicContact CG2-CE2 3.6Å; I348-F352 WeakPolarHBondContact O-CD2 3.42Å; I348-F352 PolarHBondContact O-N 2.86Å; E349-F352 PolarHBondContact O-N 3.46Å; K350-F352 VanDerWaalsContact C-N 3.34Å; K350-F352 PolarHBondContact O-N 2.72Å; F352-R378 PolarHBondContact O-NH2 3.04Å; F352-M411 HydrophobicContact CD1-CG 3.84Å; F352-M411 HydrophobicContact CD1-SD 4.31Å; F352-M411 HydrophobicContact CE1-CG 4.36Å; F352-M411 WeakPolarHBondContact O-CE 3.48Å
353	N	96.1	Very high	94.1	Very high	94 Å²	94	52.2 Å²	52.2	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-86.7	-7.9	170.5	-64.7	-40	0	0	0	113.1	E349 K350 A351 R378	E349-N353 PolarHBondContact O-N 3.08Å; E349-N353 PolarHBondContact O-ND2 2.87Å; K350-N353 CarbonylContact O-C 3.54Å; K350-N353 WeakPolarHBondContact O-CA 3.28Å; K350-N353 PolarHBondContact O-N 2.9Å; K350-N353 VanDerWaalsContact O-N 3.07Å; A351-N353 VanDerWaalsContact C-N 3.3Å; A351-N353 PolarHBondContact O-N 2.84Å; N353-R378 PolarHBondContact O-NH2 2.86Å
354	G	96.4	Very high	93.6	Very high	11 Å²	11	53.6 Å²	53.6	11%	0.113	26%	0.264	C	S	.	.	S	Bend	trans	-75.8	-170.7	173.3	0	0	0	0	0	114	K350 A351 R378 M411	K350-G354 PolarHBondContact O-N 2.73Å; A351-G354 PolarHBondContact O-N 2.71Å; G354-R378 PolarHBondContact O-NH2 2.98Å; G354-M411 WeakPolarHBondContact O-CE 3.44Å
355	K	98.1	Very high	93.2	Very high	99 Å²	99	56.3 Å²	56.3	43%	0.43	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-73	147.7	-174.3	-61.9	-179.5	-172.7	175.2	0	112.7	P368 D412	K355-P368 HydrophobicContact CB-CB 4.17Å; K355-P368 HydrophobicContact CD-CB 3.88Å; K355-D412 HydrophobicContact CB-CB 4.24Å; K355-D412 WeakPolarHBondContact O-CB 3.43Å; K355-D412 PolarHBondContact O-N 2.91Å
356	F	98.4	Very high	93	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-77.4	154.3	170	-57.7	-85	0	0	0	111	L290 P368 V369 V374 P379 F404 M411	L290-F356 HydrophobicContact CD1-CE1 3.93Å; L290-F356 HydrophobicContact CD2-CD1 4.22Å; L290-F356 HydrophobicContact CD2-CE1 3.74Å; F356-P368 WeakPolarHBondContact O-CA 3.37Å; F356-V369 HydrophobicContact CB-CB 4.21Å; F356-V369 HydrophobicContact CB-CG2 4.01Å; F356-V369 PolarHBondContact O-N 3.24Å; F356-V374 HydrophobicContact CD2-CG1 4.45Å; F356-V374 HydrophobicContact CD2-CG2 3.82Å; F356-V374 HydrophobicContact CE2-CG1 3.78Å; F356-V374 HydrophobicContact CE2-CG2 3.95Å; F356-P379 HydrophobicContact CE1-CB 4.22Å; F356-P379 HydrophobicContact CZ-CB 3.87Å; F356-P379 HydrophobicContact CZ-CG 4.43Å; F356-F404 HydrophobicContact CB-CE1 4.21Å; F356-F404 HydrophobicContact CB-CZ 4.24Å; F356-F404 HydrophobicContact CD1-CE1 4.01Å; F356-F404 AromaticContact CD2-CE1 3.63Å; F356-F404 HydrophobicContact CD2-CE1 3.63Å; F356-F404 AromaticContact CD2-CZ 3.76Å; F356-F404 HydrophobicContact CD2-CZ 3.76Å; F356-F404 HydrophobicContact CE1-CE1 4.31Å; F356-F404 AromaticContact CE2-CE1 3.96Å; F356-F404 HydrophobicContact CE2-CE1 3.96Å; F356-F404 HydrophobicContact CE2-CZ 4.34Å; F356-F404 AromaticContact CG-CE1 3.67Å; F356-F404 HydrophobicContact CG-CE1 3.67Å; F356-F404 HydrophobicContact CG-CZ 4.01Å; F356-F404 HydrophobicContact CZ-CE1 4.29Å; F356-M411 HydrophobicContact CD1-CE 3.86Å; F356-M411 HydrophobicContact CD1-SD 3.85Å; F356-M411 HydrophobicContact CE1-CE 3.9Å; F356-M411 HydrophobicContact CE1-SD 3.95Å; F356-M411 HydrophobicContact CG-CE 4.32Å; F356-M411 HydrophobicContact CZ-CE 4.41Å
357	K	96.4	Very high	92.9	Very high	35 Å²	35	56.9 Å²	56.9	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.4	178.2	-144.7	179.5	-161.8	76.5	0	110.6	E255 W366 L410 D412	E255-K357 HydrophobicContact CB-CD 4.41Å; E255-K357 HydrophobicContact CG-CD 4.42Å; K357-W366 HydrophobicContact CB-CE3 4.38Å; K357-W366 HydrophobicContact CD-CB 4.29Å; K357-W366 HydrophobicContact CD-CE3 4.12Å; K357-W366 HydrophobicContact CG-CB 4.33Å; K357-W366 HydrophobicContact CG-CE3 4.08Å; K357-L410 HydrophobicContact CB-CB 4.42Å; K357-L410 HydrophobicContact CB-CD2 4.29Å; K357-L410 HydrophobicContact CB-CG 4.07Å; K357-L410 WeakPolarHBondContact CB-O 3.36Å; K357-L410 HydrophobicContact CD-CD2 3.79Å; K357-L410 HydrophobicContact CD-CG 4.17Å; K357-L410 PolarHBondContact N-O 3.22Å; K357-D412 HydrophobicContact CB-CB 4.25Å; K357-D412 HydrophobicContact CG-CB 4.21Å; K357-D412 WeakPolarHBondContact CG-OD1 3.43Å; K357-D412 PolarHBondContact NZ-O 3.14Å; K357-D412 VanDerWaalsContact NZ-O 3.08Å; K357-D412 IonicContact NZ-OD1 2.79Å; K357-D412 PolarHBondContact NZ-OD1 2.81Å
358	E	93.6	Very high	92.9	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.056	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	155	172.5	61.4	163.3	177.9	0	0	113.3	R360 W366 T367 V369 Y408	E358-R360 IonicContact OE1-CZ 3.83Å; E358-R360 IonicContact OE1-NE 3.79Å; E358-R360 PolarHBondContact OE1-NE 3.37Å; E358-R360 IonicContact OE1-NH2 3.65Å; E358-R360 PolarHBondContact OE1-NH2 3.3Å; E358-R360 WeakPolarHBondContact OE2-CG 3.27Å; E358-R360 IonicContact OE2-NE 2.74Å; E358-W366 CarbonylContact O-C 3.57Å; E358-W366 VanDerWaalsContact O-CA 3.28Å; E358-W366 WeakPolarHBondContact O-CA 3.47Å; E358-T367 WeakPolarHBondContact CG-O 3.44Å; E358-T367 PolarHBondContact N-O 2.8Å; E358-T367 PolarHBondContact O-N 2.84Å; E358-V369 HydrophobicContact CB-CG2 3.66Å; E358-V369 HydrophobicContact CG-CG2 3.81Å; E358-Y408 HydrophobicContact CB-CD1 3.84Å; E358-Y408 HydrophobicContact CB-CE1 3.44Å; E358-Y408 VanDerWaalsContact CB-CE1 3.44Å
359	Q	90.4	Very high	92.8	Very high	40 Å²	40	57.8 Å²	57.8	19%	0.187	30%	0.301	C	S	.	.			trans	-127.2	117.5	158.7	-153.8	-162.4	10	0	0	106.6	N361 S362 S364 W366	Q359-N361 VanDerWaalsContact CD-O 3.29Å; Q359-N361 WeakPolarHBondContact CG-O 3.44Å; Q359-N361 PolarHBondContact NE2-O 3.16Å; Q359-S362 PolarHBondContact NE2-O 2.88Å; Q359-S364 VanDerWaalsContact CG-O 3.31Å; Q359-S364 WeakPolarHBondContact CG-O 3.43Å; Q359-S364 PolarHBondContact NE2-O 3.47Å; Q359-W366 HydrophobicContact CB-CD2 3.75Å; Q359-W366 HydrophobicContact CB-CE3 4.05Å; Q359-W366 HydrophobicContact CB-CG 4.25Å; Q359-W366 HydrophobicContact CB-CH2 4.23Å; Q359-W366 HydrophobicContact CB-CZ2 3.92Å; Q359-W366 HydrophobicContact CB-CZ3 4.28Å; Q359-W366 HydrophobicContact CG-CD2 4.04Å; Q359-W366 HydrophobicContact CG-CG 4.1Å; Q359-W366 HydrophobicContact CG-CZ2 4.31Å
360	R	83.8	Confident	92.8	Very high	165 Å²	165	60.3 Å²	60.3	62%	0.623	32%	0.315	S	S	*	.	S	Bend	trans	-75.1	-32.3	-170	-67.2	-176.5	178.2	179.1	2.6	113.1	E358 S364	E358-R360 IonicContact OE1-CZ 3.83Å; E358-R360 IonicContact OE1-NE 3.79Å; E358-R360 PolarHBondContact OE1-NE 3.37Å; E358-R360 IonicContact OE1-NH2 3.65Å; E358-R360 PolarHBondContact OE1-NH2 3.3Å; E358-R360 WeakPolarHBondContact OE2-CG 3.27Å; E358-R360 IonicContact OE2-NE 2.74Å; R360-S364 PolarHBondContact N-OG 2.89Å
361	N	83.1	Confident	92.6	Very high	94 Å²	94	58.6 Å²	58.6	50%	0.503	31%	0.309	S	S	.	.	S	Bend	trans	-153.2	170.1	170	60	59.3	0	0	0	108.9	Q359 E363 S364	Q359-N361 VanDerWaalsContact CD-O 3.29Å; Q359-N361 WeakPolarHBondContact CG-O 3.44Å; Q359-N361 PolarHBondContact NE2-O 3.16Å; N361-E363 PolarHBondContact O-N 3.18Å; N361-E363 PolarHBondContact OD1-N 3.24Å; N361-S364 PolarHBondContact N-OG 2.86Å; N361-S364 PolarHBondContact O-N 2.77Å; N361-S364 VanDerWaalsContact O-N 3.16Å; N361-S364 PolarHBondContact O-OG 3.32Å; N361-S364 WeakPolarHBondContact OD1-CB 3.49Å; N361-S364 PolarHBondContact OD1-N 3.3Å
362	S	82.2	Confident	92.5	Very high	81 Å²	81	66.3 Å²	66.3	57%	0.566	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31	-173.8	50.8	0	0	0	0	114.6	Q359	Q359-S362 PolarHBondContact NE2-O 2.88Å
363	E	81.1	Confident	92.3	Very high	159 Å²	159	71.1 Å²	71.1	74%	0.743	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-15.6	-177	-45	-45.9	117.2	0	0	112.8	N361	N361-E363 PolarHBondContact O-N 3.18Å; N361-E363 PolarHBondContact OD1-N 3.24Å
364	S	87.5	Confident	92.4	Very high	29 Å²	29	67.3 Å²	67.3	20%	0.203	35%	0.347	C	S	.	.	S	Bend	trans	-73.2	146	-179.1	65.1	0	0	0	0	112.3	Q359 R360 N361	Q359-S364 VanDerWaalsContact CG-O 3.31Å; Q359-S364 WeakPolarHBondContact CG-O 3.43Å; Q359-S364 PolarHBondContact NE2-O 3.47Å; R360-S364 PolarHBondContact N-OG 2.89Å; N361-S364 PolarHBondContact N-OG 2.86Å; N361-S364 PolarHBondContact O-N 2.77Å; N361-S364 VanDerWaalsContact O-N 3.16Å; N361-S364 PolarHBondContact O-OG 3.32Å; N361-S364 WeakPolarHBondContact OD1-CB 3.49Å; N361-S364 PolarHBondContact OD1-N 3.3Å
365	A	89.7	Confident	92.5	Very high	79 Å²	79	67.2 Å²	67.2	65%	0.653	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-61.5	149.6	168.7	0	0	0	0	0	111
366	W	93	Very high	92.4	Very high	44 Å²	44	71.1 Å²	71.1	17%	0.167	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-75.4	131.5	174.6	-70.9	70.6	0	0	0	109.9	V254 E255 K357 E358 Q359 L410	V254-W366 HydrophobicContact CB-CH2 4.42Å; V254-W366 HydrophobicContact CB-CZ2 4.11Å; V254-W366 HydrophobicContact CG2-CH2 3.76Å; V254-W366 HydrophobicContact CG2-CZ2 3.91Å; E255-W366 HydrophobicContact CB-CB 4.24Å; E255-W366 HydrophobicContact CB-CD2 3.62Å; E255-W366 HydrophobicContact CB-CE3 4.1Å; E255-W366 HydrophobicContact CB-CG 3.68Å; K357-W366 HydrophobicContact CB-CE3 4.38Å; K357-W366 HydrophobicContact CD-CB 4.29Å; K357-W366 HydrophobicContact CD-CE3 4.12Å; K357-W366 HydrophobicContact CG-CB 4.33Å; K357-W366 HydrophobicContact CG-CE3 4.08Å; E358-W366 CarbonylContact O-C 3.57Å; E358-W366 VanDerWaalsContact O-CA 3.28Å; E358-W366 WeakPolarHBondContact O-CA 3.47Å; Q359-W366 HydrophobicContact CB-CD2 3.75Å; Q359-W366 HydrophobicContact CB-CE3 4.05Å; Q359-W366 HydrophobicContact CB-CG 4.25Å; Q359-W366 HydrophobicContact CB-CH2 4.23Å; Q359-W366 HydrophobicContact CB-CZ2 3.92Å; Q359-W366 HydrophobicContact CB-CZ3 4.28Å; Q359-W366 HydrophobicContact CG-CD2 4.04Å; Q359-W366 HydrophobicContact CG-CG 4.1Å; Q359-W366 HydrophobicContact CG-CZ2 4.31Å; W366-L410 HydrophobicContact CE3-CD2 4.24Å; W366-L410 HydrophobicContact CZ3-CD2 3.94Å
367	T	94.9	Very high	92.3	Very high	48 Å²	48	71.2 Å²	71.2	29%	0.294	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.7	-173	49.2	0	0	0	0	111.7	E358	E358-T367 WeakPolarHBondContact CG-O 3.44Å; E358-T367 PolarHBondContact N-O 2.8Å; E358-T367 PolarHBondContact O-N 2.84Å
368	P	97.2	Very high	92.3	Very high	53 Å²	53	71.3 Å²	71.3	34%	0.344	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.3	171.5	23.3	-31.8	0	0	0	111.5	K355 F356 D412	K355-P368 HydrophobicContact CB-CB 4.17Å; K355-P368 HydrophobicContact CD-CB 3.88Å; F356-P368 WeakPolarHBondContact O-CA 3.37Å; P368-D412 HydrophobicContact CB-CB 4.26Å; P368-D412 WeakPolarHBondContact CB-OD2 3.5Å
369	V	97.2	Very high	92.5	Very high	4 Å²	4	70.9 Å²	70.9	2%	0.024	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-67.4	143.5	166.4	-178.3	0	0	0	0	109.3	F356 E358 Q373 V374 F404 Y408	F356-V369 HydrophobicContact CB-CB 4.21Å; F356-V369 HydrophobicContact CB-CG2 4.01Å; F356-V369 PolarHBondContact O-N 3.24Å; E358-V369 HydrophobicContact CB-CG2 3.66Å; E358-V369 HydrophobicContact CG-CG2 3.81Å; V369-Q373 HydrophobicContact CG1-CB 4.11Å; V369-V374 HydrophobicContact CG1-CG2 4.36Å; V369-F404 HydrophobicContact CG1-CE2 4.09Å; V369-F404 HydrophobicContact CG1-CZ 3.99Å; V369-Y408 HydrophobicContact CG2-CD1 4.46Å
370	L	95.4	Very high	92.8	Very high	89 Å²	89	69.1 Å²	69.1	47%	0.466	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-76.7	136.9	174	-62.9	178.8	0	0	0	110	E372 Q373	L370-E372 WeakPolarHBondContact CB-OE2 3.47Å; L370-E372 PolarHBondContact O-N 2.93Å; L370-Q373 HydrophobicContact CB-CG 4.21Å; L370-Q373 WeakPolarHBondContact O-CA 3.39Å; L370-Q373 WeakPolarHBondContact O-CB 3.33Å; L370-Q373 PolarHBondContact O-N 3.33Å
371	E	94.4	Very high	93.4	Very high	89 Å²	89	62.2 Å²	62.2	42%	0.416	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-65.8	-24.6	-175	-169.1	66.1	-160.8	0	0	111.7	Q373 V374 R378	E371-Q373 PolarHBondContact O-N 2.03Å; E371-V374 WeakPolarHBondContact O-CB 3.41Å; E371-V374 PolarHBondContact O-N 3.35Å; E371-V374 VanDerWaalsContact O-N 3.1Å; E371-R378 IonicContact OE1-CZ 3.61Å; E371-R378 IonicContact OE1-NH1 3.39Å; E371-R378 PolarHBondContact OE1-NH1 2.93Å; E371-R378 IonicContact OE2-NH1 3.92Å; E371-R378 PolarHBondContact OE2-NH1 3.23Å
372	E	94.8	Very high	94.1	Very high	166 Å²	166	57.9 Å²	57.9	78%	0.776	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-64.8	-17.5	171.8	-58.2	77.6	-171.5	0	0	113.4	L370	L370-E372 WeakPolarHBondContact CB-OE2 3.47Å; L370-E372 PolarHBondContact O-N 2.93Å
373	Q	95.6	Very high	94.8	Very high	101 Å²	101	54.3 Å²	54.3	47%	0.472	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-99.2	-0.9	176.1	-59.7	175.7	-15.6	0	0	112.6	V369 L370 E371 P375 F404	V369-Q373 HydrophobicContact CG1-CB 4.11Å; L370-Q373 HydrophobicContact CB-CG 4.21Å; L370-Q373 WeakPolarHBondContact O-CA 3.39Å; L370-Q373 WeakPolarHBondContact O-CB 3.33Å; L370-Q373 PolarHBondContact O-N 3.33Å; E371-Q373 PolarHBondContact O-N 2.03Å; Q373-P375 WeakPolarHBondContact O-CD 3.45Å; Q373-F404 WeakPolarHBondContact O-CE2 3.48Å
374	V	97.5	Very high	95.4	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.085	27%	0.267	C	S	.	.	S	Bend	trans	-85.3	118.2	178.5	178.3	0	0	0	0	109.2	F356 V369 E371 R378 P379 F404	F356-V374 HydrophobicContact CD2-CG1 4.45Å; F356-V374 HydrophobicContact CD2-CG2 3.82Å; F356-V374 HydrophobicContact CE2-CG1 3.78Å; F356-V374 HydrophobicContact CE2-CG2 3.95Å; V369-V374 HydrophobicContact CG1-CG2 4.36Å; E371-V374 WeakPolarHBondContact O-CB 3.41Å; E371-V374 PolarHBondContact O-N 3.35Å; E371-V374 VanDerWaalsContact O-N 3.1Å; V374-R378 HydrophobicContact CG1-CG 4.12Å; V374-P379 HydrophobicContact CG1-CG 4.37Å; V374-F404 HydrophobicContact CG2-CE2 4.48Å; V374-F404 HydrophobicContact CG2-CZ 4.04Å
375	P	97.6	Very high	95.7	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.058	28%	0.278	C	S	.	.			trans	-71.5	166.4	-176.4	30	-36.6	0	0	0	112.5	Q373 P377 P379 E400 F404	Q373-P375 WeakPolarHBondContact O-CD 3.45Å; P375-P377 CarbonylContact O-C 3.59Å; P375-P379 HydrophobicContact CG-CG 3.94Å; P375-P379 WeakPolarHBondContact O-CD 3.45Å; P375-E400 HydrophobicContact CB-CB 4.43Å; P375-E400 HydrophobicContact CB-CG 3.81Å; P375-E400 HydrophobicContact CG-CG 4.35Å; P375-F404 HydrophobicContact CG-CB 3.79Å; P375-F404 HydrophobicContact CG-CD2 4.05Å; P375-F404 HydrophobicContact CG-CG 3.95Å
376	K	95.8	Very high	95.7	Very high	181 Å²	181	51.3 Å²	51.3	79%	0.787	28%	0.28	S	S	*	.	S	Bend	trans	-116.7	132.2	-179.3	-66.2	179	-177.1	175	0	110.5
377	P	96.4	Very high	95.6	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.026	29%	0.294	C	S	.	.	S	Bend	cis	-68	156.8	2.2	33	-36.3	0	0	0	111.4	P375 P379 S387 A388 Y391 F397 T401	P375-P377 CarbonylContact O-C 3.59Å; P377-P379 WeakPolarHBondContact O-CD 3.36Å; P377-S387 WeakPolarHBondContact CB-O 3.28Å; P377-A388 HydrophobicContact CB-CB 3.82Å; P377-A388 HydrophobicContact CG-CB 4.39Å; P377-Y391 HydrophobicContact CB-CD2 4.26Å; P377-Y391 HydrophobicContact CB-CE2 3.98Å; P377-Y391 HydrophobicContact CG-CD2 3.89Å; P377-Y391 HydrophobicContact CG-CE2 3.57Å; P377-F397 HydrophobicContact CG-CD1 3.83Å; P377-F397 HydrophobicContact CG-CE1 4.03Å; P377-F397 HydrophobicContact CG-CG 4.5Å; P377-T401 HydrophobicContact CG-CG2 4.46Å; P377-T401 WeakPolarHBondContact O-CG2 3.44Å; P377-T401 PolarHBondContact O-OG1 3.15Å
378	R	97.5	Very high	95.6	Very high	37 Å²	37	50.1 Å²	50.1	14%	0.14	28%	0.28	C	S	.	.			trans	-64.5	125.4	-171.5	179.7	172.5	160.8	98.3	7.4	110	F352 N353 G354 E371 V374 G380 S381 S387	F352-R378 PolarHBondContact O-NH2 3.04Å; N353-R378 PolarHBondContact O-NH2 2.86Å; G354-R378 PolarHBondContact O-NH2 2.98Å; E371-R378 IonicContact OE1-CZ 3.61Å; E371-R378 IonicContact OE1-NH1 3.39Å; E371-R378 PolarHBondContact OE1-NH1 2.93Å; E371-R378 IonicContact OE2-NH1 3.92Å; E371-R378 PolarHBondContact OE2-NH1 3.23Å; V374-R378 HydrophobicContact CG1-CG 4.12Å; R378-G380 PolarHBondContact O-N 3.14Å; R378-S381 VanDerWaalsContact O-CB 3.25Å; R378-S381 WeakPolarHBondContact O-CB 3.26Å; R378-S381 PolarHBondContact O-N 3.3Å; R378-S381 PolarHBondContact O-OG 3.2Å; R378-S387 WeakPolarHBondContact CB-OG 3.5Å; R378-S387 PolarHBondContact N-OG 3.08Å; R378-S387 VanDerWaalsContact N-OG 3.08Å
379	P	98	Very high	95.5	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.019	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	132.6	175.1	-31.9	35.9	0	0	0	112.8	F356 V374 P375 P377 T401 F404 I405	F356-P379 HydrophobicContact CE1-CB 4.22Å; F356-P379 HydrophobicContact CZ-CB 3.87Å; F356-P379 HydrophobicContact CZ-CG 4.43Å; V374-P379 HydrophobicContact CG1-CG 4.37Å; P375-P379 HydrophobicContact CG-CG 3.94Å; P375-P379 WeakPolarHBondContact O-CD 3.45Å; P377-P379 WeakPolarHBondContact O-CD 3.36Å; P379-T401 HydrophobicContact CG-CG2 4.11Å; P379-F404 HydrophobicContact CB-CD1 3.91Å; P379-F404 HydrophobicContact CB-CE1 4.34Å; P379-F404 HydrophobicContact CG-CB 4.28Å; P379-F404 HydrophobicContact CG-CD1 3.43Å; P379-F404 VanDerWaalsContact CG-CD1 3.43Å; P379-F404 HydrophobicContact CG-CE1 3.96Å; P379-F404 HydrophobicContact CG-CG 3.99Å; P379-I405 HydrophobicContact CB-CB 4.13Å; P379-I405 HydrophobicContact CB-CG1 4.35Å
380	G	95.9	Very high	95.4	Very high	2 Å²	2	56.3 Å²	56.3	2%	0.021	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	6.2	-176.8	0	0	0	0	0	116	R269 R378	R269-G380 PolarHBondContact NH2-O 3.03Å; R378-G380 PolarHBondContact O-N 3.14Å
381	S	96.1	Very high	95.5	Very high	21 Å²	21	54.8 Å²	54.8	15%	0.147	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-81.2	140.8	168.6	-55.4	0	0	0	0	111.3	R378 S387	R378-S381 VanDerWaalsContact O-CB 3.25Å; R378-S381 WeakPolarHBondContact O-CB 3.26Å; R378-S381 PolarHBondContact O-N 3.3Å; R378-S381 PolarHBondContact O-OG 3.2Å; S381-S387 PolarHBondContact OG-OG 2.74Å
382	C	97.4	Very high	95.5	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.02	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-75.8	140.9	175	-52.4	0	0	0	0	111.6	Y244 C271 G384 E385 A388	Y244-C382 WeakPolarHBondContact CE1-SG 3.17Å; C271-C382 HydrophobicContact CB-CB 3.82Å; C271-C382 WeakPolarHBondContact CB-SG 3.48Å; C271-C382 WeakPolarHBondContact SG-CA 3.09Å; C271-C382 WeakPolarHBondContact SG-CB 3.3Å; C271-C382 PolarHBondContact SG-N 2.91Å; C271-C382 VanDerWaalsContact SG-N 3.42Å; C271-C382 CovalentContact SG-SG 2.04Å; C271-C382 PolarHBondContact SG-SG 3.29Å; C382-G384 PolarHBondContact O-N 3.44Å; C382-E385 HydrophobicContact CB-CB 4.23Å; C382-E385 HydrophobicContact CB-CG 4.24Å; C382-E385 WeakPolarHBondContact O-CB 3.32Å; C382-E385 PolarHBondContact O-N 3.49Å; C382-E385 VanDerWaalsContact O-N 3.13Å; C382-A388 WeakPolarHBondContact O-CB 3.34Å
383	A	97.1	Very high	95.6	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	137.3	176.5	0	0	0	0	0	110.5	N273 E385 Y391 F397	N273-A383 PolarHBondContact ND2-O 3.22Å; A383-E385 VanDerWaalsContact C-N 3.28Å; A383-Y391 CarbonylContact C-O 3.52Å; A383-F397 HydrophobicContact CB-CE1 4.17Å; A383-F397 HydrophobicContact CB-CZ 4Å
384	G	95.4	Very high	95.6	Very high	42 Å²	42	48.7 Å²	48.7	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-6.1	-174.9	0	0	0	0	0	114.9	C382 A388 Y391	C382-G384 PolarHBondContact O-N 3.44Å; G384-A388 PolarHBondContact N-O 3.38Å; G384-Y391 PolarHBondContact N-O 2.92Å
385	E	92.9	Very high	95.6	Very high	94 Å²	94	50.9 Å²	50.9	44%	0.439	30%	0.297	S	S	.	.	S	Bend	trans	-118.6	142.1	-174	-66.9	-72.5	-172.3	0	0	113	N243 C382 A383 S387 A388 A389	N243-E385 WeakPolarHBondContact ND2-CG 3.38Å; N243-E385 PolarHBondContact ND2-OE1 3.24Å; C382-E385 HydrophobicContact CB-CB 4.23Å; C382-E385 HydrophobicContact CB-CG 4.24Å; C382-E385 WeakPolarHBondContact O-CB 3.32Å; C382-E385 PolarHBondContact O-N 3.49Å; C382-E385 VanDerWaalsContact O-N 3.13Å; A383-E385 VanDerWaalsContact C-N 3.28Å; E385-S387 PolarHBondContact O-N 2.84Å; E385-A388 CarbonylContact O-C 3.54Å; E385-A388 WeakPolarHBondContact O-CA 3.36Å; E385-A388 PolarHBondContact O-N 3.01Å; E385-A389 PolarHBondContact O-N 3.1Å
386	G	90.4	Very high	95.6	Very high	67 Å²	67	54.3 Å²	54.3	69%	0.691	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	47.8	-120.1	171.2	0	0	0	0	0	114.2	A388 A389	G386-A388 PolarHBondContact O-N 2.91Å; G386-A388 VanDerWaalsContact O-N 3.13Å; G386-A389 WeakPolarHBondContact O-CB 3.3Å; G386-A389 PolarHBondContact O-N 3.2Å
387	S	90.1	Very high	95.7	Very high	68 Å²	68	46.1 Å²	46.1	48%	0.476	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-65.2	-13.3	-179.8	87.4	0	0	0	0	114.6	P377 R378 S381 E385	P377-S387 WeakPolarHBondContact CB-O 3.28Å; R378-S387 WeakPolarHBondContact CB-OG 3.5Å; R378-S387 PolarHBondContact N-OG 3.08Å; R378-S387 VanDerWaalsContact N-OG 3.08Å; S381-S387 PolarHBondContact OG-OG 2.74Å; E385-S387 PolarHBondContact O-N 2.84Å
388	A	94.7	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-112.2	13.3	-178.7	0	0	0	0	0	113.2	P377 C382 G384 E385 G386 T390 Y391 F397	P377-A388 HydrophobicContact CB-CB 3.82Å; P377-A388 HydrophobicContact CG-CB 4.39Å; C382-A388 WeakPolarHBondContact O-CB 3.34Å; G384-A388 PolarHBondContact N-O 3.38Å; E385-A388 CarbonylContact O-C 3.54Å; E385-A388 WeakPolarHBondContact O-CA 3.36Å; E385-A388 PolarHBondContact O-N 3.01Å; G386-A388 PolarHBondContact O-N 2.91Å; G386-A388 VanDerWaalsContact O-N 3.13Å; A388-T390 PolarHBondContact O-N 3.05Å; A388-T390 VanDerWaalsContact O-N 3.07Å; A388-Y391 HydrophobicContact CB-CD2 4.45Å; A388-Y391 PolarHBondContact O-N 2.85Å; A388-F397 HydrophobicContact CB-CE1 4.01Å; A388-F397 HydrophobicContact CB-CZ 4.31Å
389	A	94.7	Very high	95.8	Very high	64 Å²	64	48.4 Å²	48.4	53%	0.529	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.4	-178.8	0	0	0	0	0	114.9	E385 G386 Y391	E385-A389 PolarHBondContact O-N 3.1Å; G386-A389 WeakPolarHBondContact O-CB 3.3Å; G386-A389 PolarHBondContact O-N 3.2Å; A389-Y391 VanDerWaalsContact C-N 3.31Å; A389-Y391 PolarHBondContact O-N 2.69Å
390	T	96.1	Very high	95.8	Very high	123 Å²	123	54.8 Å²	54.8	76%	0.755	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.1	175.6	50.1	0	0	0	0	114.3	A388	A388-T390 PolarHBondContact O-N 3.05Å; A388-T390 VanDerWaalsContact O-N 3.07Å
391	Y	96.4	Very high	95.9	Very high	56 Å²	56	54.9 Å²	54.9	22%	0.22	33%	0.329	C	S	.	.			trans	-102.6	119.6	-174.3	-63.4	-90	0	0	0	110.8	P377 A383 G384 A388 A389 S393 T396 F397	P377-Y391 HydrophobicContact CB-CD2 4.26Å; P377-Y391 HydrophobicContact CB-CE2 3.98Å; P377-Y391 HydrophobicContact CG-CD2 3.89Å; P377-Y391 HydrophobicContact CG-CE2 3.57Å; A383-Y391 CarbonylContact C-O 3.52Å; G384-Y391 PolarHBondContact N-O 2.92Å; A388-Y391 HydrophobicContact CB-CD2 4.45Å; A388-Y391 PolarHBondContact O-N 2.85Å; A389-Y391 VanDerWaalsContact C-N 3.31Å; A389-Y391 PolarHBondContact O-N 2.69Å; Y391-S393 VanDerWaalsContact C-N 3.3Å; Y391-S393 PolarHBondContact O-N 2.69Å; Y391-T396 WeakPolarHBondContact CD1-O 3.42Å; Y391-T396 WeakPolarHBondContact CE1-O 3.49Å; Y391-F397 AromaticContact CD1-CD1 3.92Å; Y391-F397 HydrophobicContact CD1-CD1 3.92Å; Y391-F397 HydrophobicContact CD2-CD1 4.27Å; Y391-F397 HydrophobicContact CD2-CE1 4.3Å; Y391-F397 AromaticContact CG-CD1 3.78Å; Y391-F397 HydrophobicContact CG-CD1 3.78Å; Y391-F397 AromaticContact CG-CE1 3.96Å; Y391-F397 HydrophobicContact CG-CE1 3.96Å
392	K	94.5	Very high	96	Very high	207 Å²	207	54 Å²	54	90%	0.9	32%	0.322	S	S	*	.	S	Bend	trans	-76.4	-14.1	-179.8	-63.3	-174.1	179.4	-177	0	114.2
393	S	96.4	Very high	96	Very high	19 Å²	19	56.9 Å²	56.9	13%	0.133	34%	0.34	C	S	.	.	S	Bend	trans	-161.4	146.9	-179.2	177.5	0	0	0	0	110	N275 Y391 T395 T396	N275-S393 WeakPolarHBondContact CB-OG 3.11Å; N275-S393 PolarHBondContact ND2-OG 3.04Å; N275-S393 VanDerWaalsContact ND2-OG 3.16Å; Y391-S393 VanDerWaalsContact C-N 3.3Å; Y391-S393 PolarHBondContact O-N 2.69Å; S393-T395 WeakPolarHBondContact CB-OG1 3.22Å; S393-T395 PolarHBondContact O-N 3.36Å; S393-T395 PolarHBondContact OG-N 3.25Å; S393-T395 PolarHBondContact OG-OG1 3.29Å; S393-T396 PolarHBondContact O-N 3.03Å; S393-T396 PolarHBondContact O-OG1 3.11Å
394	S	97.4	Very high	96.1	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-59.3	-26.3	174.9	57.1	0	0	0	0	113.6	D274 N275 G276 T287 T396 F397	D274-S394 PolarHBondContact OD1-OG 3.01Å; N275-S394 WeakPolarHBondContact CA-OG 3.43Å; N275-S394 PolarHBondContact N-OG 2.8Å; G276-S394 PolarHBondContact N-OG 3.34Å; G276-S394 CarbonylContact O-C 3.52Å; G276-S394 VanDerWaalsContact O-C 3.28Å; G276-S394 WeakPolarHBondContact O-CB 3.19Å; G276-S394 PolarHBondContact O-OG 3.12Å; T287-S394 WeakPolarHBondContact OG1-CB 3.2Å; S394-T396 PolarHBondContact O-N 2.8Å; S394-F397 WeakPolarHBondContact O-CB 3.25Å; S394-F397 WeakPolarHBondContact O-CD2 3.46Å; S394-F397 WeakPolarHBondContact O-CG 3.11Å; S394-F397 PolarHBondContact O-N 3.42Å
395	T	97.4	Very high	96.2	Very high	61 Å²	61	55.6 Å²	55.6	37%	0.374	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-62.4	-12.1	174.1	55.8	0	0	0	0	113.4	N275 G276 S393	N275-T395 HydrophobicContact CB-CG2 3.97Å; N275-T395 WeakPolarHBondContact O-CG2 3.37Å; G276-T395 WeakPolarHBondContact O-CG2 3.4Å; G276-T395 PolarHBondContact O-N 3.45Å; G276-T395 VanDerWaalsContact O-N 3.13Å; S393-T395 WeakPolarHBondContact CB-OG1 3.22Å; S393-T395 PolarHBondContact O-N 3.36Å; S393-T395 PolarHBondContact OG-N 3.25Å; S393-T395 PolarHBondContact OG-OG1 3.29Å
396	T	97	Very high	96.4	Very high	80 Å²	80	55.5 Å²	55.5	49%	0.491	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-104.8	3.4	175.4	65.3	0	0	0	0	114	Y391 S393 S394	Y391-T396 WeakPolarHBondContact CD1-O 3.42Å; Y391-T396 WeakPolarHBondContact CE1-O 3.49Å; S393-T396 PolarHBondContact O-N 3.03Å; S393-T396 PolarHBondContact O-OG1 3.11Å; S394-T396 PolarHBondContact O-N 2.8Å
397	F	98.2	Very high	96.7	Very high	10 Å²	10	54.1 Å²	54.1	4%	0.044	30%	0.299	C	S	.	.	S	Bend	trans	-65.3	149.8	174.9	-68.5	-26.3	0	0	0	111.9	P377 A383 A388 Y391 S394 L402	P377-F397 HydrophobicContact CG-CD1 3.83Å; P377-F397 HydrophobicContact CG-CE1 4.03Å; P377-F397 HydrophobicContact CG-CG 4.5Å; A383-F397 HydrophobicContact CB-CE1 4.17Å; A383-F397 HydrophobicContact CB-CZ 4Å; A388-F397 HydrophobicContact CB-CE1 4.01Å; A388-F397 HydrophobicContact CB-CZ 4.31Å; Y391-F397 AromaticContact CD1-CD1 3.92Å; Y391-F397 HydrophobicContact CD1-CD1 3.92Å; Y391-F397 HydrophobicContact CD2-CD1 4.27Å; Y391-F397 HydrophobicContact CD2-CE1 4.3Å; Y391-F397 AromaticContact CG-CD1 3.78Å; Y391-F397 HydrophobicContact CG-CD1 3.78Å; Y391-F397 AromaticContact CG-CE1 3.96Å; Y391-F397 HydrophobicContact CG-CE1 3.96Å; S394-F397 WeakPolarHBondContact O-CB 3.25Å; S394-F397 WeakPolarHBondContact O-CD2 3.46Å; S394-F397 WeakPolarHBondContact O-CG 3.11Å; S394-F397 PolarHBondContact O-N 3.42Å; F397-L402 HydrophobicContact CB-CD1 4.28Å; F397-L402 HydrophobicContact CB-CD2 4.12Å; F397-L402 HydrophobicContact CB-CG 4.05Å; F397-L402 HydrophobicContact CD2-CD2 4.17Å
398	P	97.8	Very high	97	Very high	41 Å²	41	53.7 Å²	53.7	27%	0.266	29%	0.288	S	S	.	.			trans	-60.6	144	173.5	-21	33.8	0	0	0	112.1	E400 T401 L402	P398-E400 PolarHBondContact O-N 3.42Å; P398-E400 VanDerWaalsContact O-N 3.15Å; P398-T401 PolarHBondContact O-N 2.88Å; P398-T401 VanDerWaalsContact O-N 3.17Å; P398-L402 WeakPolarHBondContact O-CG 3.46Å; P398-L402 PolarHBondContact O-N 2.83Å; P398-L402 VanDerWaalsContact O-N 3.14Å
399	D	97.8	Very high	97.1	Very high	48 Å²	48	53.8 Å²	53.8	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-25.7	177.9	-63	-23.3	0	0	0	112.4	S278 R280 V281 L402 T403	S278-D399 WeakPolarHBondContact CB-OD1 3.49Å; S278-D399 PolarHBondContact OG-OD1 2.82Å; R280-D399 IonicContact CZ-OD1 3.99Å; R280-D399 IonicContact CZ-OD2 2.85Å; R280-D399 IonicContact NE-OD1 3.47Å; R280-D399 PolarHBondContact NE-OD1 2.7Å; R280-D399 IonicContact NE-OD2 2.66Å; R280-D399 PolarHBondContact NE-OD2 2.85Å; R280-D399 IonicContact NH2-OD1 2.85Å; R280-D399 PolarHBondContact NH2-OD1 2.6Å; R280-D399 IonicContact NH2-OD2 2.69Å; R280-D399 PolarHBondContact NH2-OD2 2.87Å; V281-D399 HydrophobicContact CG2-CB 3.94Å; D399-L402 PolarHBondContact O-N 2.85Å; D399-T403 WeakPolarHBondContact O-CB 3.18Å; D399-T403 PolarHBondContact O-N 3.23Å; D399-T403 PolarHBondContact O-OG1 3.26Å
400	E	97.8	Very high	97.3	Very high	136 Å²	136	50.9 Å²	50.9	64%	0.636	26%	0.264	S	S	*	.	H	α-helix	trans	-62.7	-53.8	174	-169.5	-177.5	-174.2	0	0	111.3	P375 P398 L402 T403 F404	P375-E400 HydrophobicContact CB-CB 4.43Å; P375-E400 HydrophobicContact CB-CG 3.81Å; P375-E400 HydrophobicContact CG-CG 4.35Å; P398-E400 PolarHBondContact O-N 3.42Å; P398-E400 VanDerWaalsContact O-N 3.15Å; E400-L402 VanDerWaalsContact C-N 3.28Å; E400-L402 PolarHBondContact O-N 3.17Å; E400-T403 PolarHBondContact O-N 3.37Å; E400-F404 WeakPolarHBondContact O-CB 3.47Å; E400-F404 PolarHBondContact O-N 3.47Å
401	T	97.9	Very high	97.4	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-41.8	174.2	-58.3	0	0	0	0	111.9	P377 P379 P398 I405	P377-T401 HydrophobicContact CG-CG2 4.46Å; P377-T401 WeakPolarHBondContact O-CG2 3.44Å; P377-T401 PolarHBondContact O-OG1 3.15Å; P379-T401 HydrophobicContact CG-CG2 4.11Å; P398-T401 PolarHBondContact O-N 2.88Å; P398-T401 VanDerWaalsContact O-N 3.17Å; T401-I405 PolarHBondContact O-N 2.8Å
402	L	98.4	Very high	97.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-70.8	-36.2	179.5	-63.9	170.6	0	0	0	112.6	V281 L282 T287 F397 P398 D399 E400 K406	V281-L402 HydrophobicContact CB-CB 3.84Å; V281-L402 HydrophobicContact CB-CD1 4.32Å; V281-L402 HydrophobicContact CG1-CB 3.6Å; L282-L402 HydrophobicContact CD1-CB 4.34Å; L282-L402 HydrophobicContact CD1-CD2 4.37Å; L282-L402 VanDerWaalsContact CD1-O 3.25Å; L282-L402 WeakPolarHBondContact CD1-O 3.43Å; T287-L402 HydrophobicContact CG2-CD2 3.49Å; T287-L402 VanDerWaalsContact CG2-CD2 3.49Å; F397-L402 HydrophobicContact CB-CD1 4.28Å; F397-L402 HydrophobicContact CB-CD2 4.12Å; F397-L402 HydrophobicContact CB-CG 4.05Å; F397-L402 HydrophobicContact CD2-CD2 4.17Å; P398-L402 WeakPolarHBondContact O-CG 3.46Å; P398-L402 PolarHBondContact O-N 2.83Å; P398-L402 VanDerWaalsContact O-N 3.14Å; D399-L402 PolarHBondContact O-N 2.85Å; E400-L402 VanDerWaalsContact C-N 3.28Å; E400-L402 PolarHBondContact O-N 3.17Å; L402-K406 WeakPolarHBondContact O-CB 3.2Å; L402-K406 PolarHBondContact O-N 2.83Å
403	T	98	Very high	97.5	Very high	65 Å²	65	38.9 Å²	38.9	40%	0.399	21%	0.206	S	C	.	.	H	α-helix	trans	-74.2	-35.3	176.8	-58	0	0	0	0	111.3	D399 E400 S407	D399-T403 WeakPolarHBondContact O-CB 3.18Å; D399-T403 PolarHBondContact O-N 3.23Å; D399-T403 PolarHBondContact O-OG1 3.26Å; E400-T403 PolarHBondContact O-N 3.37Å; T403-S407 WeakPolarHBondContact O-CB 3.26Å; T403-S407 PolarHBondContact O-N 2.79Å; T403-S407 PolarHBondContact O-OG 3.01Å
404	F	98.1	Very high	97.5	Very high	19 Å²	19	40 Å²	40	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-55.7	173.4	-172.9	-74.3	0	0	0	110.9	F356 V369 Q373 V374 P375 P379 E400 K406 S407 Y408	F356-F404 HydrophobicContact CB-CE1 4.21Å; F356-F404 HydrophobicContact CB-CZ 4.24Å; F356-F404 HydrophobicContact CD1-CE1 4.01Å; F356-F404 AromaticContact CD2-CE1 3.63Å; F356-F404 HydrophobicContact CD2-CE1 3.63Å; F356-F404 AromaticContact CD2-CZ 3.76Å; F356-F404 HydrophobicContact CD2-CZ 3.76Å; F356-F404 HydrophobicContact CE1-CE1 4.31Å; F356-F404 AromaticContact CE2-CE1 3.96Å; F356-F404 HydrophobicContact CE2-CE1 3.96Å; F356-F404 HydrophobicContact CE2-CZ 4.34Å; F356-F404 AromaticContact CG-CE1 3.67Å; F356-F404 HydrophobicContact CG-CE1 3.67Å; F356-F404 HydrophobicContact CG-CZ 4.01Å; F356-F404 HydrophobicContact CZ-CE1 4.29Å; V369-F404 HydrophobicContact CG1-CE2 4.09Å; V369-F404 HydrophobicContact CG1-CZ 3.99Å; Q373-F404 WeakPolarHBondContact O-CE2 3.48Å; V374-F404 HydrophobicContact CG2-CE2 4.48Å; V374-F404 HydrophobicContact CG2-CZ 4.04Å; P375-F404 HydrophobicContact CG-CB 3.79Å; P375-F404 HydrophobicContact CG-CD2 4.05Å; P375-F404 HydrophobicContact CG-CG 3.95Å; P379-F404 HydrophobicContact CB-CD1 3.91Å; P379-F404 HydrophobicContact CB-CE1 4.34Å; P379-F404 HydrophobicContact CG-CB 4.28Å; P379-F404 HydrophobicContact CG-CD1 3.43Å; P379-F404 VanDerWaalsContact CG-CD1 3.43Å; P379-F404 HydrophobicContact CG-CE1 3.96Å; P379-F404 HydrophobicContact CG-CG 3.99Å; E400-F404 WeakPolarHBondContact O-CB 3.47Å; E400-F404 PolarHBondContact O-N 3.47Å; F404-K406 VanDerWaalsContact C-N 3.25Å; F404-K406 PolarHBondContact O-N 3.06Å; F404-S407 WeakPolarHBondContact O-CA 3.1Å; F404-S407 PolarHBondContact O-N 2.74Å; F404-Y408 AromaticContact CD1-CD2 3.84Å; F404-Y408 HydrophobicContact CD1-CD2 3.84Å; F404-Y408 AromaticContact CD2-CD2 3.81Å; F404-Y408 HydrophobicContact CD2-CD2 3.81Å; F404-Y408 HydrophobicContact CD2-CE2 4.01Å; F404-Y408 AromaticContact CE1-CD2 3.84Å; F404-Y408 HydrophobicContact CE1-CD2 3.84Å; F404-Y408 HydrophobicContact CE1-CG 4.3Å; F404-Y408 AromaticContact CE2-CD2 3.82Å; F404-Y408 HydrophobicContact CE2-CD2 3.82Å; F404-Y408 HydrophobicContact CE2-CE2 4.08Å; F404-Y408 AromaticContact CG-CD2 3.82Å; F404-Y408 HydrophobicContact CG-CD2 3.82Å; F404-Y408 HydrophobicContact CG-CE2 4.38Å; F404-Y408 AromaticContact CZ-CD2 3.83Å; F404-Y408 HydrophobicContact CZ-CD2 3.83Å; F404-Y408 HydrophobicContact CZ-CG 4.4Å; F404-Y408 WeakPolarHBondContact O-CD2 3.4Å; F404-Y408 PolarHBondContact O-N 2.92Å
405	I	98	Very high	97.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-34.5	-177.4	-156.4	179.4	0	0	0	112.2	L282 T287 L290 P379 T401 S407	L282-I405 HydrophobicContact CD1-CG2 3.74Å; T287-I405 WeakPolarHBondContact O-CD1 3.33Å; L290-I405 HydrophobicContact CD2-CD1 3.96Å; L290-I405 HydrophobicContact CD2-CG1 3.8Å; L290-I405 HydrophobicContact CG-CD1 4.21Å; P379-I405 HydrophobicContact CB-CB 4.13Å; P379-I405 HydrophobicContact CB-CG1 4.35Å; T401-I405 PolarHBondContact O-N 2.8Å; I405-S407 PolarHBondContact O-N 2.85Å
406	K	97.5	Very high	97.6	Very high	92 Å²	92	38.7 Å²	38.7	40%	0.4	21%	0.206	S	C	.	.	H	α-helix	trans	-57.5	-36	171.8	-173.8	-176.4	174.4	-167.5	0	112.5	W227 L282 L402 F404	W227-K406 PolarHBondContact NE1-O 2.93Å; L282-K406 HydrophobicContact CD1-CB 4.19Å; L282-K406 HydrophobicContact CD2-CB 4.28Å; L282-K406 HydrophobicContact CD2-CD 4.37Å; L282-K406 HydrophobicContact CD2-CG 4.21Å; L282-K406 HydrophobicContact CG-CB 4.44Å; L402-K406 WeakPolarHBondContact O-CB 3.2Å; L402-K406 PolarHBondContact O-N 2.83Å; F404-K406 VanDerWaalsContact C-N 3.25Å; F404-K406 PolarHBondContact O-N 3.06Å
407	S	95.9	Very high	97.4	Very high	39 Å²	39	35 Å²	35	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-91.8	-25.5	-172.8	-55.8	0	0	0	0	113.9	K226 T403 F404 I405 P409	K226-S407 WeakPolarHBondContact CD-O 3.08Å; K226-S407 PolarHBondContact NZ-O 3.3Å; T403-S407 WeakPolarHBondContact O-CB 3.26Å; T403-S407 PolarHBondContact O-N 2.79Å; T403-S407 PolarHBondContact O-OG 3.01Å; F404-S407 WeakPolarHBondContact O-CA 3.1Å; F404-S407 PolarHBondContact O-N 2.74Å; I405-S407 PolarHBondContact O-N 2.85Å; S407-P409 VanDerWaalsContact C-CD 3.49Å
408	Y	96.7	Very high	97.1	Very high	58 Å²	58	35.3 Å²	35.3	23%	0.227	19%	0.186	C	C	.	.			trans	-132.1	58.4	-173.2	-50.5	-67.3	0	0	0	113.2	E358 V369 F404 L410	E358-Y408 HydrophobicContact CB-CD1 3.84Å; E358-Y408 HydrophobicContact CB-CE1 3.44Å; E358-Y408 VanDerWaalsContact CB-CE1 3.44Å; V369-Y408 HydrophobicContact CG2-CD1 4.46Å; F404-Y408 AromaticContact CD1-CD2 3.84Å; F404-Y408 HydrophobicContact CD1-CD2 3.84Å; F404-Y408 AromaticContact CD2-CD2 3.81Å; F404-Y408 HydrophobicContact CD2-CD2 3.81Å; F404-Y408 HydrophobicContact CD2-CE2 4.01Å; F404-Y408 AromaticContact CE1-CD2 3.84Å; F404-Y408 HydrophobicContact CE1-CD2 3.84Å; F404-Y408 HydrophobicContact CE1-CG 4.3Å; F404-Y408 AromaticContact CE2-CD2 3.82Å; F404-Y408 HydrophobicContact CE2-CD2 3.82Å; F404-Y408 HydrophobicContact CE2-CE2 4.08Å; F404-Y408 AromaticContact CG-CD2 3.82Å; F404-Y408 HydrophobicContact CG-CD2 3.82Å; F404-Y408 HydrophobicContact CG-CE2 4.38Å; F404-Y408 AromaticContact CZ-CD2 3.83Å; F404-Y408 HydrophobicContact CZ-CD2 3.83Å; F404-Y408 HydrophobicContact CZ-CG 4.4Å; F404-Y408 WeakPolarHBondContact O-CD2 3.4Å; F404-Y408 PolarHBondContact O-N 2.92Å; Y408-L410 PolarHBondContact O-N 2.8Å
409	P	97.3	Very high	96.6	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.013	19%	0.192	C	C	.	.			trans	-75.7	-1.1	179.8	33.5	-38.7	0	0	0	114.3	K226 W227 F289 L290 K291 S407	K226-P409 HydrophobicContact CB-CG 3.98Å; W227-P409 HydrophobicContact CG-CG 4.3Å; F289-P409 HydrophobicContact CD1-CB 4.02Å; F289-P409 HydrophobicContact CE1-CB 4.11Å; L290-P409 CarbonylContact C-O 3.48Å; L290-P409 WeakPolarHBondContact CA-O 3.41Å; K291-P409 PolarHBondContact N-O 3.47Å; S407-P409 VanDerWaalsContact C-CD 3.49Å
410	L	98	Very high	96.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.5	-175.7	176.8	62.3	0	0	0	110.3	V254 E255 K291 K357 W366 Y408	V254-L410 HydrophobicContact CG2-CD2 4.49Å; E255-L410 HydrophobicContact CB-CD2 4.32Å; E255-L410 HydrophobicContact CG-CD2 4.31Å; K291-L410 HydrophobicContact CG-CD1 4.08Å; K291-L410 WeakPolarHBondContact O-CA 3.42Å; K357-L410 HydrophobicContact CB-CB 4.42Å; K357-L410 HydrophobicContact CB-CD2 4.29Å; K357-L410 HydrophobicContact CB-CG 4.07Å; K357-L410 WeakPolarHBondContact CB-O 3.36Å; K357-L410 HydrophobicContact CD-CD2 3.79Å; K357-L410 HydrophobicContact CD-CG 4.17Å; K357-L410 PolarHBondContact N-O 3.22Å; W366-L410 HydrophobicContact CE3-CD2 4.24Å; W366-L410 HydrophobicContact CZ3-CD2 3.94Å; Y408-L410 PolarHBondContact O-N 2.8Å
411	M	98.4	Very high	96	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	148.4	171	-49.7	-45.7	-63.4	0	0	111	L290 K291 A292 F352 G354 F356	L290-M411 HydrophobicContact CB-SD 4.18Å; L290-M411 HydrophobicContact CD1-SD 3.92Å; L290-M411 HydrophobicContact CD2-SD 4.19Å; L290-M411 HydrophobicContact CG-SD 4.33Å; K291-M411 PolarHBondContact O-N 3.18Å; A292-M411 HydrophobicContact CB-CB 4.1Å; A292-M411 HydrophobicContact CB-CG 4.11Å; F352-M411 HydrophobicContact CD1-CG 3.84Å; F352-M411 HydrophobicContact CD1-SD 4.31Å; F352-M411 HydrophobicContact CE1-CG 4.36Å; F352-M411 WeakPolarHBondContact O-CE 3.48Å; G354-M411 WeakPolarHBondContact O-CE 3.44Å; F356-M411 HydrophobicContact CD1-CE 3.86Å; F356-M411 HydrophobicContact CD1-SD 3.85Å; F356-M411 HydrophobicContact CE1-CE 3.9Å; F356-M411 HydrophobicContact CE1-SD 3.95Å; F356-M411 HydrophobicContact CG-CE 4.32Å; F356-M411 HydrophobicContact CZ-CE 4.41Å
412	D	97.4	Very high	95.8	Very high	45 Å²	45	39 Å²	39	24%	0.241	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-44	177.7	-174.3	55.1	0	0	0	111.5	K355 K357 P368	K355-D412 HydrophobicContact CB-CB 4.24Å; K355-D412 WeakPolarHBondContact O-CB 3.43Å; K355-D412 PolarHBondContact O-N 2.91Å; K357-D412 HydrophobicContact CB-CB 4.25Å; K357-D412 HydrophobicContact CG-CB 4.21Å; K357-D412 WeakPolarHBondContact CG-OD1 3.43Å; K357-D412 PolarHBondContact NZ-O 3.14Å; K357-D412 VanDerWaalsContact NZ-O 3.08Å; K357-D412 IonicContact NZ-OD1 2.79Å; K357-D412 PolarHBondContact NZ-OD1 2.81Å; P368-D412 HydrophobicContact CB-CB 4.26Å; P368-D412 WeakPolarHBondContact CB-OD2 3.5Å
413	E	96.2	Very high	95.4	Very high	85 Å²	85	40 Å²	40	40%	0.397	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	144.9	178.9	-68.9	175.9	-142	0	0	112.3
414	S	97.3	Very high	95.2	Very high	43 Å²	43	37.1 Å²	37.1	30%	0.301	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.5	169.5	58.7	0	0	0	0	110.9	R293 P416	R293-S414 CarbonylContact O-C 3.47Å; R293-S414 VanDerWaalsContact O-CA 3.22Å; R293-S414 WeakPolarHBondContact O-CA 3.19Å; R293-S414 WeakPolarHBondContact O-CB 3.19Å; S414-P416 WeakPolarHBondContact O-CD 3.08Å
415	V	98.5	Very high	95	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	121.4	170.8	-170.1	0	0	0	0	109	V267 A292 R293 L294 N295 F343 D347 I348 A351	V267-V415 HydrophobicContact CG1-CG2 3.86Å; A292-V415 HydrophobicContact CB-CG2 4.23Å; R293-V415 PolarHBondContact O-N 3.38Å; L294-V415 HydrophobicContact CD2-CB 4Å; L294-V415 HydrophobicContact CD2-CG2 4.06Å; N295-V415 WeakPolarHBondContact CB-O 3.42Å; N295-V415 PolarHBondContact N-O 3.3Å; F343-V415 HydrophobicContact CB-CG1 4.4Å; F343-V415 HydrophobicContact CD1-CB 4.29Å; F343-V415 HydrophobicContact CD1-CG1 3.81Å; D347-V415 HydrophobicContact CB-CG1 4.37Å; I348-V415 HydrophobicContact CB-CG1 4.43Å; I348-V415 HydrophobicContact CG1-CG1 3.63Å; I348-V415 HydrophobicContact CG1-CG2 4.19Å; A351-V415 HydrophobicContact CB-CG2 3.85Å
416	P	96.6	Very high	94.9	Very high	35 Å²	35	37.7 Å²	37.7	23%	0.227	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.9	174.8	30	-34.6	0	0	0	110.8	F343 D347 S414 D420	F343-P416 VanDerWaalsContact CD1-O 3.29Å; F343-P416 WeakPolarHBondContact CD1-O 3.35Å; D347-P416 HydrophobicContact CB-CG 4.22Å; S414-P416 WeakPolarHBondContact O-CD 3.08Å; P416-D420 WeakPolarHBondContact CB-OD1 3.43Å
417	S	94.7	Very high	94.6	Very high	3 Å²	3	35 Å²	35	2%	0.021	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-71.3	151.5	163	51	0	0	0	0	110.3	N295 G342 N419 D420 R421	N295-S417 VanDerWaalsContact O-CB 3.28Å; N295-S417 WeakPolarHBondContact O-CB 3.41Å; N295-S417 PolarHBondContact O-N 3.22Å; N295-S417 PolarHBondContact O-OG 3.42Å; N295-S417 VanDerWaalsContact O-OG 3.14Å; G342-S417 CarbonylContact O-C 3.49Å; G342-S417 VanDerWaalsContact O-CA 3.22Å; G342-S417 WeakPolarHBondContact O-CA 3.47Å; S417-N419 PolarHBondContact O-N 2.86Å; S417-D420 WeakPolarHBondContact O-CA 3.32Å; S417-D420 PolarHBondContact O-N 3.39Å; S417-R421 PolarHBondContact OG-N 2.87Å
418	V	90.8	Very high	94.1	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.097	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57.9	130.6	-180	-170.3	0	0	0	0	110.4	G342 Y344 D420 F474	G342-V418 PolarHBondContact O-N 2.84Å; Y344-V418 HydrophobicContact CD1-CG2 4.33Å; Y344-V418 HydrophobicContact CD2-CG1 4.27Å; Y344-V418 HydrophobicContact CD2-CG2 3.7Å; Y344-V418 HydrophobicContact CE1-CG2 4.23Å; Y344-V418 HydrophobicContact CE2-CB 4.22Å; Y344-V418 HydrophobicContact CE2-CG1 3.47Å; Y344-V418 VanDerWaalsContact CE2-CG1 3.47Å; Y344-V418 HydrophobicContact CE2-CG2 3.62Å; Y344-V418 HydrophobicContact CG-CG2 4.06Å; V418-D420 PolarHBondContact O-N 3.26Å; V418-F474 HydrophobicContact CB-CE2 4.23Å; V418-F474 HydrophobicContact CG1-CE2 3.69Å
419	N	87.2	Confident	93.5	Very high	72 Å²	72	35.8 Å²	35.8	39%	0.385	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	60.9	21.1	-173.3	-55.7	-18.8	0	0	0	115.3	S417 R421 A472 F474	S417-N419 PolarHBondContact O-N 2.86Å; N419-R421 HydrophobicContact CB-CG 4.5Å; N419-R421 PolarHBondContact O-N 2.64Å; N419-R421 VanDerWaalsContact O-N 3.13Å; N419-A472 PolarHBondContact ND2-O 2.63Å; N419-F474 WeakPolarHBondContact ND2-CD2 3.4Å
420	D	91.3	Very high	93	Very high	91 Å²	91	46 Å²	46	49%	0.487	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	52.7	32.3	177.7	-65	-66.1	0	0	0	114	P416 S417 V418	P416-D420 WeakPolarHBondContact CB-OD1 3.43Å; S417-D420 WeakPolarHBondContact O-CA 3.32Å; S417-D420 PolarHBondContact O-N 3.39Å; V418-D420 PolarHBondContact O-N 3.26Å
421	R	91.4	Very high	92.7	Very high	132 Å²	132	46.8 Å²	46.8	50%	0.498	23%	0.231	S	C	.	.	S	Bend	trans	-155.5	157.7	175.9	64.4	-174.3	61	-135.7	-6.6	113	S297 S417 N419	S297-R421 WeakPolarHBondContact O-CA 3.48Å; S417-R421 PolarHBondContact OG-N 2.87Å; N419-R421 HydrophobicContact CB-CG 4.5Å; N419-R421 PolarHBondContact O-N 2.64Å; N419-R421 VanDerWaalsContact O-N 3.13Å
422	P	93.9	Very high	92.6	Very high	13 Å²	13	48.5 Å²	48.5	8%	0.084	24%	0.239	C	C	.	.			trans	-64.1	147	161.1	29.1	-35.7	0	0	0	111.1	S297 V298 A339 V340 C341 T425	S297-P422 WeakPolarHBondContact O-CD 3.17Å; V298-P422 HydrophobicContact CG2-CG 3.76Å; A339-P422 HydrophobicContact CB-CB 3.85Å; A339-P422 HydrophobicContact CB-CG 4.28Å; V340-P422 CarbonylContact O-C 3.53Å; V340-P422 VanDerWaalsContact O-CA 3.24Å; V340-P422 WeakPolarHBondContact O-CA 3.39Å; V340-P422 WeakPolarHBondContact O-CB 3.31Å; C341-P422 VanDerWaalsContact SG-CA 3.54Å; P422-T425 HydrophobicContact CB-CG2 4.11Å; P422-T425 HydrophobicContact CG-CG2 3.62Å
423	F	90.1	Very high	92.6	Very high	23 Å²	23	46.4 Å²	46.4	10%	0.101	23%	0.227	C	C	.	.	S	Bend	trans	-88.3	-15.7	172.1	67.6	-95.5	0	0	0	112.8	L325 V340 V451 F474 S476	L325-F423 HydrophobicContact CD2-CE1 3.88Å; L325-F423 HydrophobicContact CD2-CZ 3.76Å; L325-F423 HydrophobicContact CG-CE1 3.98Å; L325-F423 HydrophobicContact CG-CZ 4.32Å; V340-F423 HydrophobicContact CB-CD1 4.49Å; V340-F423 HydrophobicContact CB-CE1 3.86Å; V340-F423 HydrophobicContact CB-CE2 4.22Å; V340-F423 HydrophobicContact CB-CZ 3.71Å; V340-F423 HydrophobicContact CG1-CE1 3.53Å; V340-F423 HydrophobicContact CG1-CE2 4.28Å; V340-F423 HydrophobicContact CG1-CZ 3.36Å; V340-F423 WeakPolarHBondContact O-CD1 3.39Å; V340-F423 PolarHBondContact O-N 3.2Å; F423-V451 HydrophobicContact CE2-CG2 4.27Å; F423-V451 HydrophobicContact CZ-CG2 4.28Å; F423-F474 HydrophobicContact CB-CB 3.55Å; F423-F474 HydrophobicContact CB-CG 4.21Å; F423-S476 WeakPolarHBondContact O-CB 3.45Å; F423-S476 PolarHBondContact O-OG 3.43Å
424	F	94.2	Very high	92.7	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.013	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.3	174.8	-176.7	-97.5	0	0	0	110.5	L38 A339 V340 R426 L433 L453 L461 I463 L478	L38-F424 HydrophobicContact CB-CE2 4.37Å; L38-F424 HydrophobicContact CD1-CD2 4.1Å; L38-F424 HydrophobicContact CD1-CE2 4.09Å; L38-F424 HydrophobicContact CG-CE2 4.45Å; A339-F424 CarbonylContact C-O 3.58Å; A339-F424 VanDerWaalsContact CA-O 3.28Å; A339-F424 WeakPolarHBondContact CA-O 3.26Å; V340-F424 HydrophobicContact CB-CB 4.43Å; V340-F424 HydrophobicContact CG2-CB 4.28Å; V340-F424 HydrophobicContact CG2-CD1 4.22Å; V340-F424 PolarHBondContact N-O 3.24Å; F424-R426 HydrophobicContact CE1-CB 4.2Å; F424-L433 HydrophobicContact CD1-CD1 4.31Å; F424-L433 HydrophobicContact CE1-CD1 4.05Å; F424-L453 HydrophobicContact CD1-CD1 3.87Å; F424-L453 HydrophobicContact CE1-CD1 4.09Å; F424-L461 HydrophobicContact CE1-CD1 4.17Å; F424-L461 HydrophobicContact CZ-CD1 4.07Å; F424-I463 HydrophobicContact CD1-CD1 3.74Å; F424-I463 HydrophobicContact CD2-CD1 3.64Å; F424-I463 HydrophobicContact CD2-CG1 4.1Å; F424-I463 HydrophobicContact CD2-CG2 4.41Å; F424-I463 HydrophobicContact CE1-CD1 3.72Å; F424-I463 HydrophobicContact CE2-CD1 3.62Å; F424-I463 HydrophobicContact CE2-CG1 3.94Å; F424-I463 HydrophobicContact CG-CD1 3.7Å; F424-I463 HydrophobicContact CZ-CD1 3.66Å; F424-I463 HydrophobicContact CZ-CG1 4.32Å; F424-L478 HydrophobicContact CE2-CB 4.49Å
425	T	94.7	Very high	92.7	Very high	13 Å²	13	42.1 Å²	42.1	8%	0.08	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.4	178.2	46	0	0	0	0	110.9	V298 F306 S338 A339 P422	V298-T425 HydrophobicContact CG2-CG2 4.3Å; F306-T425 HydrophobicContact CE2-CG2 4.35Å; F306-T425 HydrophobicContact CZ-CG2 4.26Å; S338-T425 WeakPolarHBondContact O-CA 3.41Å; A339-T425 HydrophobicContact CB-CG2 4.1Å; P422-T425 HydrophobicContact CB-CG2 4.11Å; P422-T425 HydrophobicContact CG-CG2 3.62Å
426	R	94.1	Very high	92.7	Very high	19 Å²	19	42.7 Å²	42.7	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	113.1	173.5	-160.4	79.3	176	170.1	-3	109	D37 L38 G337 S338 F424 S429 L433	D37-R426 VanDerWaalsContact OD2-CA 3.32Å; D37-R426 WeakPolarHBondContact OD2-CA 3.31Å; D37-R426 WeakPolarHBondContact OD2-CD 3.24Å; D37-R426 WeakPolarHBondContact OD2-CG 3.23Å; D37-R426 IonicContact OD2-NE 2.64Å; L38-R426 PolarHBondContact O-NH1 2.85Å; G337-R426 CarbonylContact C-O 3.49Å; G337-R426 WeakPolarHBondContact CA-O 3.44Å; S338-R426 PolarHBondContact N-O 3.35Å; S338-R426 PolarHBondContact O-N 3.13Å; F424-R426 HydrophobicContact CE1-CB 4.2Å; R426-S429 WeakPolarHBondContact CG-OG 3.4Å; R426-S429 PolarHBondContact NE-OG 3.38Å; R426-L433 HydrophobicContact CB-CD1 4.28Å
427	T	91.9	Very high	92.8	Very high	35 Å²	35	41.5 Å²	41.5	22%	0.215	20%	0.199	C	C	.	.			trans	-141.3	-18	-165.1	59.7	0	0	0	0	114.6	F34 D37 F306	F34-T427 HydrophobicContact CE1-CG2 3.59Å; F34-T427 HydrophobicContact CZ-CG2 3.93Å; D37-T427 PolarHBondContact OD1-N 2.92Å; D37-T427 PolarHBondContact OD1-OG1 3.08Å; D37-T427 PolarHBondContact OD2-N 2.87Å; F306-T427 HydrophobicContact CE1-CG2 4.38Å; F306-T427 HydrophobicContact CZ-CG2 4.13Å
428	T	85.6	Confident	92.9	Very high	99 Å²	99	42.2 Å²	42.2	61%	0.607	20%	0.203	S	C	*	.	S	Bend	trans	-85.3	-19.2	169.8	67.2	0	0	0	0	111.8	D37	D37-T428 HydrophobicContact CB-CG2 4.33Å; D37-T428 PolarHBondContact OD1-N 3.29Å; D37-T428 PolarHBondContact OD2-N 2.95Å; D37-T428 PolarHBondContact OD2-OG1 2.74Å; D37-T428 VanDerWaalsContact OD2-OG1 3.07Å
429	S	83	Confident	93.1	Very high	16 Å²	16	41.7 Å²	41.7	11%	0.112	20%	0.2	C	C	.	.	S	Bend	trans	-76	143.5	-178.3	-65.2	0	0	0	0	113.3	R426 F431	R426-S429 WeakPolarHBondContact CG-OG 3.4Å; R426-S429 PolarHBondContact NE-OG 3.38Å; S429-F431 VanDerWaalsContact C-N 3.3Å; S429-F431 PolarHBondContact O-N 3.31Å
430	R	86.8	Confident	93.3	Very high	217 Å²	217	40.2 Å²	40.2	82%	0.819	19%	0.193	S	C	*	.	S	Bend	trans	-77.5	-13.3	177.6	-60.3	-174.7	-174.7	-177.8	2.2	114.1
431	F	92.4	Very high	93.3	Very high	20 Å²	20	37.2 Å²	37.2	9%	0.088	18%	0.179	C	C	.	.	S	Bend	trans	-98.2	155.3	-178.5	63.6	-100.1	0	0	0	111.9	T336 S429 L433 D456 N457	T336-F431 WeakPolarHBondContact CG2-O 3.36Å; S429-F431 VanDerWaalsContact C-N 3.3Å; S429-F431 PolarHBondContact O-N 3.31Å; F431-L433 HydrophobicContact CD2-CD2 4.47Å; F431-L433 HydrophobicContact CE2-CD2 3.98Å; F431-D456 VanDerWaalsContact CA-OD1 3.31Å; F431-D456 WeakPolarHBondContact CA-OD1 3.22Å; F431-D456 VanDerWaalsContact CB-OD1 3.32Å; F431-D456 WeakPolarHBondContact CB-OD1 3.25Å; F431-N457 HydrophobicContact CB-CB 3.84Å; F431-N457 VanDerWaalsContact CB-CG 3.43Å; F431-N457 WeakPolarHBondContact CB-OD1 3.32Å; F431-N457 VanDerWaalsContact CD1-ND2 3.31Å; F431-N457 WeakPolarHBondContact CD1-ND2 3.32Å; F431-N457 WeakPolarHBondContact CG-OD1 3.2Å
432	K	95.9	Very high	93.3	Very high	39 Å²	39	31 Å²	31	17%	0.17	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-100.1	148.6	170.8	-67.8	-174.9	172.8	-157.3	0	110.9	T329 T330 Q331 T336 S338 S455 D456	T329-K432 HydrophobicContact CG2-CB 3.87Å; T329-K432 HydrophobicContact CG2-CD 3.83Å; T329-K432 HydrophobicContact CG2-CG 4.02Å; T330-K432 PolarHBondContact O-NZ 2.95Å; T330-K432 VanDerWaalsContact O-NZ 3.15Å; Q331-K432 PolarHBondContact O-NZ 2.8Å; T336-K432 HydrophobicContact CG2-CG 3.75Å; S338-K432 WeakPolarHBondContact OG-CA 3.48Å; K432-S455 CarbonylContact O-C 3.58Å; K432-S455 VanDerWaalsContact O-CA 3.22Å; K432-S455 WeakPolarHBondContact O-CA 3.49Å; K432-S455 WeakPolarHBondContact O-CB 3.41Å; K432-D456 WeakPolarHBondContact CB-OD2 3.48Å; K432-D456 PolarHBondContact N-OD1 2.78Å; K432-D456 PolarHBondContact N-OD2 3.24Å; K432-D456 PolarHBondContact O-N 3.41Å
433	L	98.1	Very high	93.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	141.5	168.5	-56.5	173.1	0	0	0	109.2	V327 S338 F424 R426 F431 L453 G454 L461	V327-L433 HydrophobicContact CG1-CB 3.51Å; S338-L433 PolarHBondContact OG-N 2.81Å; F424-L433 HydrophobicContact CD1-CD1 4.31Å; F424-L433 HydrophobicContact CE1-CD1 4.05Å; R426-L433 HydrophobicContact CB-CD1 4.28Å; F431-L433 HydrophobicContact CD2-CD2 4.47Å; F431-L433 HydrophobicContact CE2-CD2 3.98Å; L433-L453 HydrophobicContact CD1-CD1 3.93Å; L433-L453 HydrophobicContact CD2-CB 4.3Å; L433-G454 CarbonylContact C-O 3.5Å; L433-G454 WeakPolarHBondContact CA-O 3.25Å; L433-L461 HydrophobicContact CD2-CD1 3.92Å
434	T	97.6	Very high	93	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	-29.5	-167.2	61.8	0	0	0	0	114.8	S311 G454 S455 D456 R498 V499	S311-T434 VanDerWaalsContact CB-O 3.26Å; S311-T434 WeakPolarHBondContact CB-O 3.35Å; T434-G454 PolarHBondContact N-O 2.68Å; T434-G454 PolarHBondContact OG1-O 3.35Å; T434-S455 PolarHBondContact OG1-N 2.93Å; T434-D456 HydrophobicContact CG2-CB 3.8Å; T434-R498 HydrophobicContact CG2-CG 4.21Å; T434-R498 VanDerWaalsContact CG2-CZ 3.41Å; T434-V499 PolarHBondContact OG1-O 2.82Å
435	Q	98.3	Very high	92.7	Very high	38 Å²	38	39.5 Å²	39.5	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.1	-172.7	-69	-60	-18.4	0	0	111.5	S311 L453 G454 V499 L500 L502	S311-Q435 VanDerWaalsContact CB-OE1 3.28Å; S311-Q435 PolarHBondContact OG-OE1 3Å; Q435-L453 CarbonylContact O-C 3.56Å; Q435-L453 VanDerWaalsContact O-CA 3.31Å; Q435-L453 WeakPolarHBondContact O-CA 3.31Å; Q435-G454 PolarHBondContact O-N 3.19Å; Q435-V499 HydrophobicContact CB-CG1 4.24Å; Q435-V499 HydrophobicContact CG-CG1 4.17Å; Q435-V499 WeakPolarHBondContact CG-O 3.05Å; Q435-L500 PolarHBondContact NE2-O 3.06Å; Q435-L500 VanDerWaalsContact NE2-O 3.08Å; Q435-L502 HydrophobicContact CB-CD1 4.01Å; Q435-L502 HydrophobicContact CB-CG 3.87Å
436	I	98.4	Very high	92.4	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.3	179.7	-176.9	161.9	0	0	0	112	T313 L325 V327 V340 V438 V451 F452 L453	T313-I436 HydrophobicContact CG2-CD1 4.23Å; T313-I436 HydrophobicContact CG2-CG1 4.09Å; T313-I436 HydrophobicContact CG2-CG2 4.02Å; L325-I436 HydrophobicContact CB-CD1 3.9Å; L325-I436 HydrophobicContact CD2-CD1 4.47Å; V327-I436 HydrophobicContact CG2-CB 3.75Å; V327-I436 HydrophobicContact CG2-CD1 4.25Å; V327-I436 HydrophobicContact CG2-CG2 4.1Å; V340-I436 HydrophobicContact CG1-CD1 3.86Å; I436-V438 HydrophobicContact CD1-CG2 4.07Å; I436-V438 HydrophobicContact CG1-CG2 3.87Å; I436-V451 HydrophobicContact CD1-CG1 3.85Å; I436-V451 HydrophobicContact CG1-CG1 4.04Å; I436-F452 WeakPolarHBondContact CA-O 3.32Å; I436-L453 HydrophobicContact CB-CD2 3.98Å; I436-L453 HydrophobicContact CD1-CD2 3.84Å; I436-L453 HydrophobicContact CG1-CD2 3.8Å
437	A	98.1	Very high	92	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.8	163.6	0	0	0	0	0	109	F452 L502 L504 L511	A437-F452 HydrophobicContact CB-CB 4.49Å; A437-F452 PolarHBondContact N-O 2.92Å; A437-F452 PolarHBondContact O-N 2.96Å; A437-L502 HydrophobicContact CB-CB 3.9Å; A437-L502 HydrophobicContact CB-CD1 4.35Å; A437-L504 HydrophobicContact CB-CB 4.45Å; A437-L511 HydrophobicContact CB-CD1 4Å
438	V	96.7	Very high	91.9	Very high	18 Å²	18	48.4 Å²	48.4	11%	0.109	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.8	-172.5	-173.7	0	0	0	0	111	T313 L316 L325 I436 T440 T449 V450 V451 L504	T313-V438 HydrophobicContact CG2-CG2 3.81Å; L316-V438 HydrophobicContact CD1-CB 3.7Å; L316-V438 HydrophobicContact CD1-CG1 3.85Å; L316-V438 HydrophobicContact CD1-CG2 3.93Å; L325-V438 HydrophobicContact CD2-CG2 4.17Å; I436-V438 HydrophobicContact CD1-CG2 4.07Å; I436-V438 HydrophobicContact CG1-CG2 3.87Å; V438-T440 HydrophobicContact CG1-CG2 3.93Å; V438-T449 HydrophobicContact CG1-CG2 3.67Å; V438-V450 WeakPolarHBondContact CA-O 3.37Å; V438-V451 HydrophobicContact CG1-CG2 4.18Å; V438-V451 HydrophobicContact CG2-CG1 4.31Å; V438-V451 HydrophobicContact CG2-CG2 4.22Å; V438-L504 WeakPolarHBondContact O-CD2 3.22Å
439	D	94.5	Very high	92.2	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.027	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	109.8	163.6	-170.4	-26.5	0	0	0	108.6	S441 A442 T449 V450 L504 R506 Y544	D439-S441 VanDerWaalsContact C-N 3.3Å; D439-S441 WeakPolarHBondContact OD1-CA 3.02Å; D439-S441 PolarHBondContact OD1-N 3.17Å; D439-A442 HydrophobicContact CB-CB 4.47Å; D439-A442 PolarHBondContact OD1-N 2.89Å; D439-T449 CarbonylContact O-C 3.52Å; D439-T449 VanDerWaalsContact O-CA 3.25Å; D439-T449 WeakPolarHBondContact O-CA 3.12Å; D439-V450 PolarHBondContact N-O 2.85Å; D439-V450 PolarHBondContact O-N 3.16Å; D439-L504 HydrophobicContact CB-CD2 3.95Å; D439-R506 IonicContact OD1-CZ 2.69Å; D439-R506 IonicContact OD1-NE 3.82Å; D439-R506 PolarHBondContact OD1-NE 2.91Å; D439-R506 VanDerWaalsContact OD1-NE 3.09Å; D439-R506 IonicContact OD1-NH1 2.77Å; D439-R506 IonicContact OD1-NH2 3.23Å; D439-R506 PolarHBondContact OD1-NH2 2.8Å; D439-R506 IonicContact OD2-CZ 2.99Å; D439-R506 IonicContact OD2-NE 3.72Å; D439-R506 PolarHBondContact OD2-NE 3.08Å; D439-R506 IonicContact OD2-NH2 2.97Å; D439-R506 PolarHBondContact OD2-NH2 3.17Å; D439-Y544 WeakPolarHBondContact CB-OH 3.41Å; D439-Y544 PolarHBondContact OD2-OH 3.36Å
440	T	92.4	Very high	92.7	Very high	40 Å²	40	44.1 Å²	44.1	25%	0.245	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	5.4	178.2	58	0	0	0	0	114.1	L316 I318 V438 Y448 T449	L316-T440 HydrophobicContact CB-CG2 4.12Å; L316-T440 HydrophobicContact CD1-CG2 4.14Å; L316-T440 HydrophobicContact CD2-CG2 4.33Å; L316-T440 HydrophobicContact CG-CG2 4.43Å; I318-T440 HydrophobicContact CG1-CG2 4.41Å; V438-T440 HydrophobicContact CG1-CG2 3.93Å; T440-Y448 CarbonylContact C-O 3.54Å; T440-T449 HydrophobicContact CG2-CG2 4.4Å
441	S	91.1	Very high	93.2	Very high	29 Å²	29	33.8 Å²	33.8	20%	0.203	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	46.6	-174.8	31.1	0	0	0	0	111.3	D439 K446 Y448 R506	D439-S441 VanDerWaalsContact C-N 3.3Å; D439-S441 WeakPolarHBondContact OD1-CA 3.02Å; D439-S441 PolarHBondContact OD1-N 3.17Å; S441-K446 WeakPolarHBondContact CA-O 3.39Å; S441-K446 WeakPolarHBondContact CB-O 3.4Å; S441-K446 WeakPolarHBondContact O-CA 3.43Å; S441-Y448 PolarHBondContact N-O 2.94Å; S441-R506 VanDerWaalsContact C-NH2 3.33Å; S441-R506 PolarHBondContact O-NH2 2.87Å; S441-R506 VanDerWaalsContact OG-CZ 3.3Å; S441-R506 PolarHBondContact OG-NH1 3.13Å; S441-R506 PolarHBondContact OG-NH2 3.15Å
442	A	91.5	Very high	93.5	Very high	1 Å²	1	33 Å²	33	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	158.9	177.3	0	0	0	0	0	112.1	D439 K446 N447 Y448 V450 P543 Y544	D439-A442 HydrophobicContact CB-CB 4.47Å; D439-A442 PolarHBondContact OD1-N 2.89Å; A442-K446 WeakPolarHBondContact O-CA 3.5Å; A442-N447 PolarHBondContact O-N 3Å; A442-Y448 PolarHBondContact N-O 2.83Å; A442-Y448 PolarHBondContact O-N 2.81Å; A442-V450 HydrophobicContact CB-CB 4.44Å; A442-V450 HydrophobicContact CB-CG2 3.73Å; A442-P543 HydrophobicContact CB-CB 4.12Å; A442-Y544 HydrophobicContact CB-CD1 4.47Å; A442-Y544 HydrophobicContact CB-CE1 3.79Å; A442-Y544 HydrophobicContact CB-CE2 4.37Å
443	G	89.6	Confident	93.7	Very high	10 Å²	10	31.1 Å²	31.1	10%	0.103	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	178	177.6	0	0	0	0	0	116.3	Y445 K446 P543	G443-Y445 VanDerWaalsContact C-N 3.34Å; G443-Y445 PolarHBondContact O-N 2.93Å; G443-K446 PolarHBondContact O-N 3.35Å; G443-P543 WeakPolarHBondContact CA-O 3.31Å
444	P	88.3	Confident	93.7	Very high	37 Å²	37	31.1 Å²	31.1	24%	0.24	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-39.9	-167.8	-24.4	34.3	0	0	0	113.8	I546 V556 F564 Q566	P444-I546 HydrophobicContact CG-CG2 3.83Å; P444-V556 HydrophobicContact CB-CG1 4.39Å; P444-V556 HydrophobicContact CG-CG1 4.13Å; P444-V556 HydrophobicContact CG-CG2 3.75Å; P444-F564 HydrophobicContact CB-CE1 3.99Å; P444-F564 HydrophobicContact CB-CE2 4.24Å; P444-F564 HydrophobicContact CB-CZ 3.54Å; P444-F564 HydrophobicContact CG-CE1 4.26Å; P444-F564 HydrophobicContact CG-CE2 3.76Å; P444-F564 HydrophobicContact CG-CZ 3.59Å; P444-Q566 VanDerWaalsContact CD-OE1 3.27Å
445	Y	87.3	Confident	93.7	Very high	171 Å²	171	31.1 Å²	31.1	67%	0.671	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	3.4	-179.8	-52.3	-69.8	0	0	0	113.3	G443 N447 F564	G443-Y445 VanDerWaalsContact C-N 3.34Å; G443-Y445 PolarHBondContact O-N 2.93Å; Y445-N447 PolarHBondContact O-N 3.24Å; Y445-F564 HydrophobicContact CE2-CE2 4.47Å; Y445-F564 AromaticContact CE2-CZ 3.84Å; Y445-F564 HydrophobicContact CE2-CZ 3.84Å; Y445-F564 AromaticContact CZ-CZ 3.8Å
446	K	88	Confident	93.6	Very high	141 Å²	141	31.8 Å²	31.8	61%	0.613	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.3	178.8	-64.7	-169.9	175.7	-171.9	0	114.1	S441 A442 G443	S441-K446 WeakPolarHBondContact CA-O 3.39Å; S441-K446 WeakPolarHBondContact CB-O 3.4Å; S441-K446 WeakPolarHBondContact O-CA 3.43Å; A442-K446 WeakPolarHBondContact O-CA 3.5Å; G443-K446 PolarHBondContact O-N 3.35Å
447	N	86.3	Confident	93.5	Very high	84 Å²	84	33.1 Å²	33.1	45%	0.449	17%	0.168	S	C	.	.			trans	-106.6	-14.7	-171.9	64.8	-51.8	0	0	0	114.1	A442 Y445	A442-N447 PolarHBondContact O-N 3Å; Y445-N447 PolarHBondContact O-N 3.24Å
448	Y	89.2	Confident	93.4	Very high	29 Å²	29	32.7 Å²	32.7	11%	0.114	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	143.7	-178.2	-62	-70.5	0	0	0	112.1	T440 S441 A442 L464 P543 V568 E569	T440-Y448 CarbonylContact C-O 3.54Å; S441-Y448 PolarHBondContact N-O 2.94Å; A442-Y448 PolarHBondContact N-O 2.83Å; A442-Y448 PolarHBondContact O-N 2.81Å; Y448-L464 HydrophobicContact CD1-CD1 4.12Å; Y448-L464 HydrophobicContact CG-CD1 4.41Å; Y448-P543 HydrophobicContact CD2-CB 3.77Å; Y448-P543 HydrophobicContact CD2-CG 4.16Å; Y448-P543 HydrophobicContact CG-CB 4.03Å; Y448-P543 HydrophobicContact CG-CG 3.97Å; Y448-V568 HydrophobicContact CD1-CG1 3.8Å; Y448-V568 HydrophobicContact CE1-CB 4.01Å; Y448-V568 HydrophobicContact CE1-CG1 3.45Å; Y448-V568 VanDerWaalsContact CE1-CG1 3.45Å; Y448-V568 HydrophobicContact CE2-CB 4.31Å; Y448-V568 HydrophobicContact CE2-CG1 4.25Å; Y448-V568 HydrophobicContact CE2-CG2 4.3Å; Y448-V568 HydrophobicContact CG-CG1 4.34Å; Y448-E569 HydrophobicContact CE1-CG 4.4Å
449	T	91.7	Very high	93.4	Very high	24 Å²	24	33.4 Å²	33.4	15%	0.147	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.2	169.3	-63.8	0	0	0	0	110.2	V438 D439 T440 V451 A465	V438-T449 HydrophobicContact CG1-CG2 3.67Å; D439-T449 CarbonylContact O-C 3.52Å; D439-T449 VanDerWaalsContact O-CA 3.25Å; D439-T449 WeakPolarHBondContact O-CA 3.12Å; T440-T449 HydrophobicContact CG2-CG2 4.4Å; T449-V451 HydrophobicContact CG2-CG2 4.32Å; T449-A465 HydrophobicContact CG2-CB 4.28Å; T449-A465 PolarHBondContact O-N 2.89Å
450	V	95.1	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.8	175	-179.3	0	0	0	0	109.4	V438 D439 A442 F452 K462 I463 P543 Y544	V438-V450 WeakPolarHBondContact CA-O 3.37Å; D439-V450 PolarHBondContact N-O 2.85Å; D439-V450 PolarHBondContact O-N 3.16Å; A442-V450 HydrophobicContact CB-CB 4.44Å; A442-V450 HydrophobicContact CB-CG2 3.73Å; V450-F452 HydrophobicContact CB-CE2 4.44Å; V450-F452 HydrophobicContact CG1-CD2 4.34Å; V450-F452 HydrophobicContact CG1-CE1 4.46Å; V450-F452 HydrophobicContact CG1-CE2 3.72Å; V450-F452 HydrophobicContact CG1-CZ 3.79Å; V450-K462 HydrophobicContact CG1-CG 3.85Å; V450-I463 CarbonylContact C-O 3.59Å; V450-I463 WeakPolarHBondContact CA-O 3.42Å; V450-P543 HydrophobicContact CG2-CB 4.46Å; V450-P543 HydrophobicContact CG2-CG 3.87Å; V450-Y544 HydrophobicContact CB-CE2 4.32Å; V450-Y544 HydrophobicContact CG1-CE2 4.24Å; V450-Y544 HydrophobicContact CG2-CE2 4.12Å
451	V	97.4	Very high	93.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.3	-178.5	-178.7	0	0	0	0	109.1	L325 F423 I436 V438 T449 L453 I463	L325-V451 HydrophobicContact CD2-CG2 4.4Å; F423-V451 HydrophobicContact CE2-CG2 4.27Å; F423-V451 HydrophobicContact CZ-CG2 4.28Å; I436-V451 HydrophobicContact CD1-CG1 3.85Å; I436-V451 HydrophobicContact CG1-CG1 4.04Å; V438-V451 HydrophobicContact CG1-CG2 4.18Å; V438-V451 HydrophobicContact CG2-CG1 4.31Å; V438-V451 HydrophobicContact CG2-CG2 4.22Å; T449-V451 HydrophobicContact CG2-CG2 4.32Å; V451-L453 HydrophobicContact CG1-CD2 3.55Å; V451-L453 HydrophobicContact CG1-CG 3.97Å; V451-I463 HydrophobicContact CB-CB 4.42Å; V451-I463 PolarHBondContact N-O 2.91Å; V451-I463 PolarHBondContact O-N 3.26Å
452	F	98.6	Very high	94.2	Very high	3 Å²	3	30 Å²	30	1%	0.013	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.6	174.1	-62.2	-88.3	0	0	0	109.2	I436 A437 V450 V460 L461 K462 L502 L504 L511 L524 Y544	I436-F452 WeakPolarHBondContact CA-O 3.32Å; A437-F452 HydrophobicContact CB-CB 4.49Å; A437-F452 PolarHBondContact N-O 2.92Å; A437-F452 PolarHBondContact O-N 2.96Å; V450-F452 HydrophobicContact CB-CE2 4.44Å; V450-F452 HydrophobicContact CG1-CD2 4.34Å; V450-F452 HydrophobicContact CG1-CE1 4.46Å; V450-F452 HydrophobicContact CG1-CE2 3.72Å; V450-F452 HydrophobicContact CG1-CZ 3.79Å; F452-V460 HydrophobicContact CB-CG1 4.45Å; F452-L461 CarbonylContact C-O 3.57Å; F452-L461 WeakPolarHBondContact CA-O 3.45Å; F452-K462 HydrophobicContact CD1-CB 4.13Å; F452-K462 HydrophobicContact CD1-CG 4.12Å; F452-K462 HydrophobicContact CE1-CB 4.11Å; F452-K462 HydrophobicContact CE1-CD 3.89Å; F452-K462 HydrophobicContact CE1-CG 3.69Å; F452-K462 HydrophobicContact CZ-CD 4.41Å; F452-K462 HydrophobicContact CZ-CG 4.26Å; F452-L502 HydrophobicContact CB-CD1 4.47Å; F452-L502 WeakPolarHBondContact O-CD1 3.39Å; F452-L504 HydrophobicContact CD2-CD1 4.38Å; F452-L504 HydrophobicContact CE2-CD1 4.17Å; F452-L511 HydrophobicContact CB-CD1 4.44Å; F452-L511 HydrophobicContact CB-CD2 3.9Å; F452-L511 HydrophobicContact CD1-CD2 3.82Å; F452-L511 HydrophobicContact CG-CD2 3.94Å; F452-L524 HydrophobicContact CE1-CD2 4.2Å; F452-L524 HydrophobicContact CE2-CD2 3.94Å; F452-L524 HydrophobicContact CZ-CB 4.32Å; F452-L524 HydrophobicContact CZ-CD2 3.6Å; F452-Y544 HydrophobicContact CZ-CE2 4.19Å
453	L	98.7	Very high	94.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.1	-177.1	-55.5	179.3	0	0	0	111.1	V327 V340 F424 L433 Q435 I436 V451 V460 L461 I463	V327-L453 HydrophobicContact CG2-CD2 3.85Å; V340-L453 HydrophobicContact CG2-CD1 3.51Å; V340-L453 HydrophobicContact CG2-CD2 4.03Å; V340-L453 HydrophobicContact CG2-CG 4.46Å; F424-L453 HydrophobicContact CD1-CD1 3.87Å; F424-L453 HydrophobicContact CE1-CD1 4.09Å; L433-L453 HydrophobicContact CD1-CD1 3.93Å; L433-L453 HydrophobicContact CD2-CB 4.3Å; Q435-L453 CarbonylContact O-C 3.56Å; Q435-L453 VanDerWaalsContact O-CA 3.31Å; Q435-L453 WeakPolarHBondContact O-CA 3.31Å; I436-L453 HydrophobicContact CB-CD2 3.98Å; I436-L453 HydrophobicContact CD1-CD2 3.84Å; I436-L453 HydrophobicContact CG1-CD2 3.8Å; V451-L453 HydrophobicContact CG1-CD2 3.55Å; V451-L453 HydrophobicContact CG1-CG 3.97Å; L453-V460 CarbonylContact O-C 3.55Å; L453-V460 WeakPolarHBondContact O-CA 3.2Å; L453-L461 HydrophobicContact CB-CB 4.36Å; L453-L461 PolarHBondContact N-O 3.08Å; L453-L461 PolarHBondContact O-N 3.17Å; L453-I463 HydrophobicContact CD1-CD1 3.35Å; L453-I463 HydrophobicContact CG-CD1 4.02Å
454	G	98.5	Very high	94.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	160.9	171.7	0	0	0	0	0	111.8	L433 T434 Q435	L433-G454 CarbonylContact C-O 3.5Å; L433-G454 WeakPolarHBondContact CA-O 3.25Å; T434-G454 PolarHBondContact N-O 2.68Å; T434-G454 PolarHBondContact OG1-O 3.35Å; Q435-G454 PolarHBondContact O-N 3.19Å
455	S	97.8	Very high	94.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	168	-176.1	61.5	0	0	0	0	113.3	K432 T434 N457 G458 H459 V499	K432-S455 CarbonylContact O-C 3.58Å; K432-S455 VanDerWaalsContact O-CA 3.22Å; K432-S455 WeakPolarHBondContact O-CA 3.49Å; K432-S455 WeakPolarHBondContact O-CB 3.41Å; T434-S455 PolarHBondContact OG1-N 2.93Å; S455-N457 WeakPolarHBondContact CB-OD1 3.37Å; S455-N457 PolarHBondContact OG-OD1 3.28Å; S455-G458 PolarHBondContact OG-N 2.92Å; S455-H459 PolarHBondContact N-O 2.9Å; S455-H459 WeakPolarHBondContact OG-CA 3.5Å; S455-H459 PolarHBondContact OG-N 2.87Å; S455-H459 PolarHBondContact OG-O 2.86Å; S455-V499 WeakPolarHBondContact O-CB 3.44Å; S455-V499 WeakPolarHBondContact O-CG2 3.46Å; S455-V499 PolarHBondContact O-N 3.26Å
456	D	96.8	Very high	93.9	Very high	53 Å²	53	21.6 Å²	21.6	28%	0.283	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.5	174.9	65.5	4.1	0	0	0	114.9	F431 K432 T434 R498	F431-D456 VanDerWaalsContact CA-OD1 3.31Å; F431-D456 WeakPolarHBondContact CA-OD1 3.22Å; F431-D456 VanDerWaalsContact CB-OD1 3.32Å; F431-D456 WeakPolarHBondContact CB-OD1 3.25Å; K432-D456 WeakPolarHBondContact CB-OD2 3.48Å; K432-D456 PolarHBondContact N-OD1 2.78Å; K432-D456 PolarHBondContact N-OD2 3.24Å; K432-D456 PolarHBondContact O-N 3.41Å; T434-D456 HydrophobicContact CG2-CB 3.8Å; D456-R498 HydrophobicContact CB-CB 4.48Å; D456-R498 HydrophobicContact CB-CG 4.13Å
457	N	95.3	Very high	92.6	Very high	41 Å²	41	16.7 Å²	16.7	22%	0.219	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	5.8	173.4	76.6	-29.5	0	0	0	114.3	F431 S455 H459 R497	F431-N457 HydrophobicContact CB-CB 3.84Å; F431-N457 VanDerWaalsContact CB-CG 3.43Å; F431-N457 WeakPolarHBondContact CB-OD1 3.32Å; F431-N457 VanDerWaalsContact CD1-ND2 3.31Å; F431-N457 WeakPolarHBondContact CD1-ND2 3.32Å; F431-N457 WeakPolarHBondContact CG-OD1 3.2Å; S455-N457 WeakPolarHBondContact CB-OD1 3.37Å; S455-N457 PolarHBondContact OG-OD1 3.28Å; N457-H459 PolarHBondContact ND2-CD2 2.89Å; N457-H459 VanDerWaalsContact ND2-CD2 3.27Å; N457-R497 PolarHBondContact O-NE 2.77Å; N457-R497 PolarHBondContact O-NH1 3.21Å; N457-R497 VanDerWaalsContact O-NH1 3.15Å; N457-R497 PolarHBondContact O-NH2 2.95Å
458	G	95.9	Very high	91	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	90.3	10.4	170.3	0	0	0	0	0	116.6	S455 V484 Y485 R497	S455-G458 PolarHBondContact OG-N 2.92Å; G458-V484 PolarHBondContact O-N 2.84Å; G458-V484 VanDerWaalsContact O-N 3.1Å; G458-Y485 PolarHBondContact O-N 3.42Å; G458-R497 WeakPolarHBondContact CA-O 3.43Å; G458-R497 PolarHBondContact N-O 3.09Å
459	H	96.6	Very high	89	Confident	34 Å²	34	18.9 Å²	18.9	16%	0.157	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	151.7	169	-71.5	-120	0	0	0	111.7	S455 N457 D481 I482	S455-H459 PolarHBondContact N-O 2.9Å; S455-H459 WeakPolarHBondContact OG-CA 3.5Å; S455-H459 PolarHBondContact OG-N 2.87Å; S455-H459 PolarHBondContact OG-O 2.86Å; N457-H459 PolarHBondContact ND2-CD2 2.89Å; N457-H459 VanDerWaalsContact ND2-CD2 3.27Å; H459-D481 IonicContact CE1-OD1 2.87Å; H459-D481 IonicContact CG-OD1 2.66Å; H459-D481 IonicContact ND1-OD1 3.97Å; H459-D481 PolarHBondContact ND1-OD1 2.93Å; H459-D481 IonicContact ND1-OD2 3.78Å; H459-I482 CarbonylContact C-O 3.5Å; H459-I482 WeakPolarHBondContact CA-O 3.25Å
460	V	98.3	Very high	86.3	Confident	1 Å²	1	23 Å²	23	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.3	164.4	175.7	0	0	0	0	108.8	F452 L453 I482 V484 L502 L511 V513	F452-V460 HydrophobicContact CB-CG1 4.45Å; L453-V460 CarbonylContact O-C 3.55Å; L453-V460 WeakPolarHBondContact O-CA 3.2Å; V460-I482 PolarHBondContact N-O 2.87Å; V460-I482 WeakPolarHBondContact O-CB 3.38Å; V460-I482 PolarHBondContact O-N 3.2Å; V460-V484 HydrophobicContact CB-CG2 3.98Å; V460-V484 HydrophobicContact CG2-CB 4.46Å; V460-V484 HydrophobicContact CG2-CG2 3.75Å; V460-L502 HydrophobicContact CG2-CD2 4.46Å; V460-L511 HydrophobicContact CG1-CD2 3.97Å; V460-V513 HydrophobicContact CG2-CG1 3.97Å; V460-V513 HydrophobicContact CG2-CG2 4.08Å
461	L	98.2	Very high	83.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.1	173.7	-55.3	-174.3	0	0	0	109.8	F424 L433 F452 L453 I463 L478 E480 D481	F424-L461 HydrophobicContact CE1-CD1 4.17Å; F424-L461 HydrophobicContact CZ-CD1 4.07Å; L433-L461 HydrophobicContact CD2-CD1 3.92Å; F452-L461 CarbonylContact C-O 3.57Å; F452-L461 WeakPolarHBondContact CA-O 3.45Å; L453-L461 HydrophobicContact CB-CB 4.36Å; L453-L461 PolarHBondContact N-O 3.08Å; L453-L461 PolarHBondContact O-N 3.17Å; L461-I463 HydrophobicContact CB-CD1 4.45Å; L461-L478 HydrophobicContact CB-CD1 3.83Å; L461-L478 HydrophobicContact CD1-CD1 4.43Å; L461-L478 HydrophobicContact CD2-CD1 4.32Å; L461-L478 HydrophobicContact CG-CD1 4.42Å; L461-E480 WeakPolarHBondContact CA-O 3.44Å; L461-D481 HydrophobicContact CD2-CB 3.78Å
462	K	98.1	Very high	81.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.6	174.7	177.4	-173.1	171	178.4	0	109.4	V450 F452 L479 E480 L524 D542	V450-K462 HydrophobicContact CG1-CG 3.85Å; F452-K462 HydrophobicContact CD1-CB 4.13Å; F452-K462 HydrophobicContact CD1-CG 4.12Å; F452-K462 HydrophobicContact CE1-CB 4.11Å; F452-K462 HydrophobicContact CE1-CD 3.89Å; F452-K462 HydrophobicContact CE1-CG 3.69Å; F452-K462 HydrophobicContact CZ-CD 4.41Å; F452-K462 HydrophobicContact CZ-CG 4.26Å; K462-L479 HydrophobicContact CD-CB 4.43Å; K462-L479 HydrophobicContact CD-CD1 4.42Å; K462-L479 HydrophobicContact CG-CB 4.38Å; K462-L479 HydrophobicContact CG-CD1 4.36Å; K462-L479 WeakPolarHBondContact O-CB 3.48Å; K462-L479 PolarHBondContact O-N 2.87Å; K462-E480 HydrophobicContact CB-CB 4.1Å; K462-E480 HydrophobicContact CD-CB 4.41Å; K462-E480 HydrophobicContact CD-CG 4.07Å; K462-E480 WeakPolarHBondContact CD-OE1 3.48Å; K462-E480 WeakPolarHBondContact CE-OE1 3.44Å; K462-E480 PolarHBondContact N-O 3.28Å; K462-E480 IonicContact NZ-OE1 2.67Å; K462-E480 PolarHBondContact NZ-OE1 2.97Å; K462-E480 PolarHBondContact O-N 2.9Å; K462-L524 PolarHBondContact NZ-O 3.25Å; K462-D542 WeakPolarHBondContact CE-OD1 3.46Å; K462-D542 IonicContact NZ-OD1 3.01Å; K462-D542 PolarHBondContact NZ-OD1 2.68Å; K462-D542 IonicContact NZ-OD2 2.8Å; K462-D542 PolarHBondContact NZ-OD2 2.92Å
463	I	96	Very high	79.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131	-171.9	-67.5	150.7	0	0	0	109.5	F424 V450 V451 L453 L461 Q477 L478	F424-I463 HydrophobicContact CD1-CD1 3.74Å; F424-I463 HydrophobicContact CD2-CD1 3.64Å; F424-I463 HydrophobicContact CD2-CG1 4.1Å; F424-I463 HydrophobicContact CD2-CG2 4.41Å; F424-I463 HydrophobicContact CE1-CD1 3.72Å; F424-I463 HydrophobicContact CE2-CD1 3.62Å; F424-I463 HydrophobicContact CE2-CG1 3.94Å; F424-I463 HydrophobicContact CG-CD1 3.7Å; F424-I463 HydrophobicContact CZ-CD1 3.66Å; F424-I463 HydrophobicContact CZ-CG1 4.32Å; V450-I463 CarbonylContact C-O 3.59Å; V450-I463 WeakPolarHBondContact CA-O 3.42Å; V451-I463 HydrophobicContact CB-CB 4.42Å; V451-I463 PolarHBondContact N-O 2.91Å; V451-I463 PolarHBondContact O-N 3.26Å; L453-I463 HydrophobicContact CD1-CD1 3.35Å; L453-I463 HydrophobicContact CG-CD1 4.02Å; L461-I463 HydrophobicContact CB-CD1 4.45Å; I463-Q477 CarbonylContact C-O 3.58Å; I463-Q477 VanDerWaalsContact CA-O 3.3Å; I463-Q477 WeakPolarHBondContact CA-O 3.03Å; I463-L478 HydrophobicContact CD1-CD1 4.43Å; I463-L478 HydrophobicContact CG1-CD1 3.7Å
464	L	93.3	Very high	77.4	Confident	6 Å²	6	36.8 Å²	36.8	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.6	162.9	179	66.2	0	0	0	108.8	Y448 S476 Q477 L479 P543 V568	Y448-L464 HydrophobicContact CD1-CD1 4.12Å; Y448-L464 HydrophobicContact CG-CD1 4.41Å; L464-S476 VanDerWaalsContact O-CA 3.3Å; L464-S476 WeakPolarHBondContact O-CA 3.32Å; L464-Q477 HydrophobicContact CB-CB 4.36Å; L464-Q477 PolarHBondContact N-O 2.83Å; L464-Q477 PolarHBondContact O-N 3.12Å; L464-L479 HydrophobicContact CB-CD1 4.06Å; L464-L479 HydrophobicContact CB-CD2 4.13Å; L464-L479 HydrophobicContact CB-CG 4.05Å; L464-P543 HydrophobicContact CD1-CG 3.73Å; L464-V568 HydrophobicContact CD1-CG1 4.21Å; L464-V568 HydrophobicContact CD2-CG1 3.52Å
465	A	87.7	Confident	76.2	Confident	14 Å²	14	40.3 Å²	40.3	12%	0.116	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.6	169.2	0	0	0	0	0	109.3	T449	T449-A465 HydrophobicContact CG2-CB 4.28Å; T449-A465 PolarHBondContact O-N 2.89Å
466	S	74.1	Confident	75.8	Confident	23 Å²	23	41.7 Å²	41.7	16%	0.161	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	152.3	170.4	-171.9	0	0	0	0	110.9	E468 F474 N475	S466-E468 WeakPolarHBondContact CB-OE1 3.28Å; S466-E468 WeakPolarHBondContact OG-CG 3.5Å; S466-E468 PolarHBondContact OG-OE1 2.89Å; S466-F474 WeakPolarHBondContact O-CA 3.1Å; S466-N475 PolarHBondContact N-O 3.27Å; S466-N475 PolarHBondContact O-N 3.4Å; S466-N475 VanDerWaalsContact O-N 3.09Å
467	S	61.7	Low	75.6	Confident	39 Å²	39	41.5 Å²	41.5	27%	0.273	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	73.8	176.2	175.7	0	0	0	0	109.5	N319	N319-S467 PolarHBondContact ND2-OG 2.84Å; N319-S467 WeakPolarHBondContact OD1-CB 3.1Å; N319-S467 PolarHBondContact OD1-OG 3.22Å
468	E	52.9	Low	75.5	Confident	95 Å²	95	39.6 Å²	39.6	44%	0.444	25%	0.252	S	S	.	.			trans	-87.1	133.6	-174.7	-81.7	154.3	-119.9	0	0	113.6	S466 A472	S466-E468 WeakPolarHBondContact CB-OE1 3.28Å; S466-E468 WeakPolarHBondContact OG-CG 3.5Å; S466-E468 PolarHBondContact OG-OE1 2.89Å; E468-A472 WeakPolarHBondContact O-CA 3.44Å
469	G	45.4	Very low	75.6	Confident	64 Å²	64	39.7 Å²	39.7	66%	0.66	25%	0.253	S	S	*	.	S	Bend	trans	81.9	167.6	163.1	0	0	0	0	0	116.4	N471 A472	G469-N471 PolarHBondContact O-N 2.78Å; G469-A472 WeakPolarHBondContact O-CB 3.48Å; G469-A472 PolarHBondContact O-N 2.89Å
470	A	35.9	Very low	75.6	Confident	111 Å²	111	38.4 Å²	38.4	92%	0.917	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.9	-179.6	0	0	0	0	0	114
471	N	42.3	Very low	75.5	Confident	163 Å²	163	39.1 Å²	39.1	87%	0.872	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	38.3	175	-62.9	-15.2	0	0	0	110.5	G469 S473	G469-N471 PolarHBondContact O-N 2.78Å; N471-S473 PolarHBondContact O-N 2.86Å; N471-S473 VanDerWaalsContact O-N 3.08Å
472	A	46	Very low	75.5	Confident	27 Å²	27	39.2 Å²	39.2	22%	0.223	25%	0.251	C	S	.	.			trans	-52.1	109.4	-161.8	0	0	0	0	0	114.9	N419 E468 G469	N419-A472 PolarHBondContact ND2-O 2.63Å; E468-A472 WeakPolarHBondContact O-CA 3.44Å; G469-A472 WeakPolarHBondContact O-CB 3.48Å; G469-A472 PolarHBondContact O-N 2.89Å
473	S	52.7	Low	75.4	Confident	61 Å²	61	39.8 Å²	39.8	43%	0.427	25%	0.254	S	S	.	.			trans	-78.8	141.2	148.9	49.7	0	0	0	0	108.9	N471 N475	N471-S473 PolarHBondContact O-N 2.86Å; N471-S473 VanDerWaalsContact O-N 3.08Å; S473-N475 PolarHBondContact O-N 3.49Å; S473-N475 VanDerWaalsContact O-N 3.09Å; S473-N475 PolarHBondContact OG-OD1 3.3Å
474	F	62.1	Low	75.4	Confident	41 Å²	41	39.8 Å²	39.8	18%	0.18	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	101.9	163.4	-81.8	-81	0	0	0	107.8	I318 V418 N419 F423 S466 S476	I318-F474 HydrophobicContact CG2-CE1 4Å; I318-F474 HydrophobicContact CG2-CZ 3.89Å; V418-F474 HydrophobicContact CB-CE2 4.23Å; V418-F474 HydrophobicContact CG1-CE2 3.69Å; N419-F474 WeakPolarHBondContact ND2-CD2 3.4Å; F423-F474 HydrophobicContact CB-CB 3.55Å; F423-F474 HydrophobicContact CB-CG 4.21Å; S466-F474 WeakPolarHBondContact O-CA 3.1Å; F474-S476 PolarHBondContact O-N 3.23Å
475	N	74.1	Confident	75.5	Confident	73 Å²	73	39.6 Å²	39.6	39%	0.39	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.7	174.9	-66.8	-11.9	0	0	0	107.2	S466 S473	S466-N475 PolarHBondContact N-O 3.27Å; S466-N475 PolarHBondContact O-N 3.4Å; S466-N475 VanDerWaalsContact O-N 3.09Å; S473-N475 PolarHBondContact O-N 3.49Å; S473-N475 VanDerWaalsContact O-N 3.09Å; S473-N475 PolarHBondContact OG-OD1 3.3Å
476	S	88.8	Confident	75.8	Confident	30 Å²	30	39.2 Å²	39.2	21%	0.21	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.3	174.9	64.4	0	0	0	0	111.5	L38 F423 L464 F474	L38-S476 WeakPolarHBondContact CD1-O 3.45Å; F423-S476 WeakPolarHBondContact O-CB 3.45Å; F423-S476 PolarHBondContact O-OG 3.43Å; L464-S476 VanDerWaalsContact O-CA 3.3Å; L464-S476 WeakPolarHBondContact O-CA 3.32Å; F474-S476 PolarHBondContact O-N 3.23Å
477	Q	91.7	Very high	76.7	Confident	49 Å²	49	39.4 Å²	39.4	23%	0.229	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	125.4	175.1	-175.6	173.4	43.5	0	0	109.3	I41 I463 L464 L479	I41-Q477 HydrophobicContact CD1-CG 4.21Å; I463-Q477 CarbonylContact C-O 3.58Å; I463-Q477 VanDerWaalsContact CA-O 3.3Å; I463-Q477 WeakPolarHBondContact CA-O 3.03Å; L464-Q477 HydrophobicContact CB-CB 4.36Å; L464-Q477 PolarHBondContact N-O 2.83Å; L464-Q477 PolarHBondContact O-N 3.12Å; Q477-L479 HydrophobicContact CG-CD2 4.37Å; Q477-L479 PolarHBondContact O-N 3.24Å
478	L	95	Very high	78	Confident	1 Å²	1	44 Å²	44	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	104.8	173.6	-177	60.7	0	0	0	108.6	L38 P40 I41 F424 L461 I463	L38-L478 HydrophobicContact CB-CB 4.01Å; L38-L478 VanDerWaalsContact O-CD2 3.3Å; L38-L478 WeakPolarHBondContact O-CD2 3.38Å; P40-L478 WeakPolarHBondContact CA-O 3.48Å; P40-L478 HydrophobicContact CB-CD2 3.82Å; P40-L478 HydrophobicContact CB-CG 3.86Å; P40-L478 HydrophobicContact CG-CD2 4.37Å; I41-L478 PolarHBondContact N-O 3.01Å; I41-L478 VanDerWaalsContact N-O 3.15Å; F424-L478 HydrophobicContact CE2-CB 4.49Å; L461-L478 HydrophobicContact CB-CD1 3.83Å; L461-L478 HydrophobicContact CD1-CD1 4.43Å; L461-L478 HydrophobicContact CD2-CD1 4.32Å; L461-L478 HydrophobicContact CG-CD1 4.42Å; I463-L478 HydrophobicContact CD1-CD1 4.43Å; I463-L478 HydrophobicContact CG1-CD1 3.7Å
479	L	96.1	Very high	79.7	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-50.3	178.8	-59.8	179.1	0	0	0	110.2	I41 S42 K462 L464 Q477 R541	I41-L479 WeakPolarHBondContact CB-O 3.31Å; I41-L479 HydrophobicContact CD1-CD2 3.79Å; I41-L479 PolarHBondContact N-O 2.92Å; S42-L479 PolarHBondContact N-O 3.42Å; K462-L479 HydrophobicContact CD-CB 4.43Å; K462-L479 HydrophobicContact CD-CD1 4.42Å; K462-L479 HydrophobicContact CG-CB 4.38Å; K462-L479 HydrophobicContact CG-CD1 4.36Å; K462-L479 WeakPolarHBondContact O-CB 3.48Å; K462-L479 PolarHBondContact O-N 2.87Å; L464-L479 HydrophobicContact CB-CD1 4.06Å; L464-L479 HydrophobicContact CB-CD2 4.13Å; L464-L479 HydrophobicContact CB-CG 4.05Å; Q477-L479 HydrophobicContact CG-CD2 4.37Å; Q477-L479 PolarHBondContact O-N 3.24Å; L479-R541 HydrophobicContact CD2-CB 4.23Å
480	E	96.9	Very high	81.9	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.8	-172.5	-49.2	-176.5	-111.9	0	0	113.3	S42 L461 K462 I482 R526	S42-E480 VanDerWaalsContact O-CA 3.29Å; S42-E480 WeakPolarHBondContact O-CA 3.4Å; L461-E480 WeakPolarHBondContact CA-O 3.44Å; K462-E480 HydrophobicContact CB-CB 4.1Å; K462-E480 HydrophobicContact CD-CB 4.41Å; K462-E480 HydrophobicContact CD-CG 4.07Å; K462-E480 WeakPolarHBondContact CD-OE1 3.48Å; K462-E480 WeakPolarHBondContact CE-OE1 3.44Å; K462-E480 PolarHBondContact N-O 3.28Å; K462-E480 IonicContact NZ-OE1 2.67Å; K462-E480 PolarHBondContact NZ-OE1 2.97Å; K462-E480 PolarHBondContact O-N 2.9Å; E480-I482 HydrophobicContact CB-CD1 4.48Å; E480-I482 HydrophobicContact CB-CG1 4.24Å; E480-R526 IonicContact OE1-CZ 2.93Å; E480-R526 IonicContact OE1-NE 2.63Å; E480-R526 IonicContact OE1-NH2 2.79Å; E480-R526 PolarHBondContact OE1-NH2 2.88Å; E480-R526 IonicContact OE2-CZ 3.45Å; E480-R526 VanDerWaalsContact OE2-CZ 3.23Å; E480-R526 IonicContact OE2-NE 2.74Å; E480-R526 PolarHBondContact OE2-NE 2.88Å; E480-R526 IonicContact OE2-NH2 3.86Å; E480-R526 PolarHBondContact OE2-NH2 2.81Å
481	D	96.9	Very high	84.6	Confident	16 Å²	16	36.9 Å²	36.9	9%	0.086	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	163.9	-173.4	-13.3	0	0	0	108.8	P40 S42 V43 V44 H459 L461	P40-D481 HydrophobicContact CB-CB 4.19Å; P40-D481 HydrophobicContact CG-CB 4.22Å; S42-D481 PolarHBondContact O-N 3.07Å; S42-D481 VanDerWaalsContact O-N 3.09Å; V43-D481 CarbonylContact C-O 3.55Å; V43-D481 WeakPolarHBondContact CA-O 3.28Å; V44-D481 PolarHBondContact N-O 3.47Å; H459-D481 IonicContact CE1-OD1 2.87Å; H459-D481 IonicContact CG-OD1 2.66Å; H459-D481 IonicContact ND1-OD1 3.97Å; H459-D481 PolarHBondContact ND1-OD1 2.93Å; H459-D481 IonicContact ND1-OD2 3.78Å; L461-D481 HydrophobicContact CD2-CB 3.78Å
482	I	97.4	Very high	86.7	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.4	-168.8	-49.9	179.2	0	0	0	109.8	V44 H459 V460 E480 V484 V522	V44-I482 HydrophobicContact CB-CB 4.21Å; V44-I482 HydrophobicContact CB-CG1 4.03Å; V44-I482 HydrophobicContact CB-CG2 3.94Å; V44-I482 HydrophobicContact CG1-CG2 4.07Å; V44-I482 HydrophobicContact CG2-CG1 3.99Å; H459-I482 CarbonylContact C-O 3.5Å; H459-I482 WeakPolarHBondContact CA-O 3.25Å; V460-I482 PolarHBondContact N-O 2.87Å; V460-I482 WeakPolarHBondContact O-CB 3.38Å; V460-I482 PolarHBondContact O-N 3.2Å; E480-I482 HydrophobicContact CB-CD1 4.48Å; E480-I482 HydrophobicContact CB-CG1 4.24Å; I482-V484 HydrophobicContact CB-CG2 4.11Å; I482-V484 HydrophobicContact CG2-CG2 3.54Å; I482-V484 PolarHBondContact O-N 3.13Å; I482-V484 VanDerWaalsContact O-N 3.11Å; I482-V522 HydrophobicContact CD1-CG1 4.44Å
483	D	96.4	Very high	88.2	Confident	13 Å²	13	36.1 Å²	36.1	7%	0.07	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	94.6	170.1	-174.1	-3.5	0	0	0	109.5	V44 R46 S49 Y485 R497	V44-D483 PolarHBondContact O-N 3.47Å; R46-D483 IonicContact CZ-OD2 2.81Å; R46-D483 VanDerWaalsContact CZ-OD2 3.3Å; R46-D483 IonicContact NE-OD2 3.9Å; R46-D483 PolarHBondContact NE-OD2 2.79Å; R46-D483 IonicContact NH2-OD2 2.93Å; R46-D483 PolarHBondContact NH2-OD2 2.82Å; S49-D483 WeakPolarHBondContact CB-O 3.49Å; S49-D483 PolarHBondContact OG-O 2.86Å; D483-Y485 PolarHBondContact OD1-N 2.04Å; D483-R497 IonicContact OD1-CZ 2.64Å; D483-R497 IonicContact OD1-NH2 2.7Å; D483-R497 PolarHBondContact OD1-NH2 2.97Å; D483-R497 IonicContact OD2-NH2 2.74Å; D483-R497 PolarHBondContact OD2-NH2 3.06Å
484	V	96.8	Very high	89.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.			trans	-85.4	-22.5	-173.4	-178.2	0	0	0	0	112.7	G458 V460 I482 N486 V513 F515 I520 V522	G458-V484 PolarHBondContact O-N 2.84Å; G458-V484 VanDerWaalsContact O-N 3.1Å; V460-V484 HydrophobicContact CB-CG2 3.98Å; V460-V484 HydrophobicContact CG2-CB 4.46Å; V460-V484 HydrophobicContact CG2-CG2 3.75Å; I482-V484 HydrophobicContact CB-CG2 4.11Å; I482-V484 HydrophobicContact CG2-CG2 3.54Å; I482-V484 PolarHBondContact O-N 3.13Å; I482-V484 VanDerWaalsContact O-N 3.11Å; V484-N486 PolarHBondContact O-N 3.42Å; V484-V513 HydrophobicContact CB-CG1 4.5Å; V484-V513 HydrophobicContact CG1-CB 3.99Å; V484-V513 HydrophobicContact CG1-CG1 3.99Å; V484-V513 HydrophobicContact CG1-CG2 4.18Å; V484-F515 HydrophobicContact CB-CZ 4.25Å; V484-F515 HydrophobicContact CG1-CE2 4.11Å; V484-F515 HydrophobicContact CG1-CZ 4.22Å; V484-I520 HydrophobicContact CG1-CB 3.99Å; V484-I520 HydrophobicContact CG1-CG1 4.35Å; V484-I520 HydrophobicContact CG1-CG2 3.93Å; V484-V522 HydrophobicContact CG1-CG2 3.59Å; V484-V522 HydrophobicContact CG2-CG2 3.98Å
485	Y	95.6	Very high	90.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.008	21%	0.206	C	C	.	.			trans	-70.3	114.9	-174.4	-178.1	-92	0	0	0	111.8	Y50 G458 D483 P487 C490 N491 D496 R497 F515	Y50-Y485 VanDerWaalsContact CE1-O 3.31Å; Y50-Y485 WeakPolarHBondContact CE1-O 3.4Å; G458-Y485 PolarHBondContact O-N 3.42Å; D483-Y485 PolarHBondContact OD1-N 2.04Å; Y485-P487 HydrophobicContact CD1-CG 4.05Å; Y485-P487 HydrophobicContact CE1-CB 4.16Å; Y485-P487 HydrophobicContact CE1-CG 3.88Å; Y485-P487 WeakPolarHBondContact O-CD 3.48Å; Y485-C490 HydrophobicContact CD2-CB 4.03Å; Y485-C490 HydrophobicContact CE2-CB 3.47Å; Y485-C490 VanDerWaalsContact CE2-CB 3.47Å; Y485-C490 PolarHBondContact OH-O 3.21Å; Y485-N491 WeakPolarHBondContact OH-CA 3.36Å; Y485-N491 PolarHBondContact OH-N 3.34Å; Y485-D496 VanDerWaalsContact CE2-O 3.32Å; Y485-D496 WeakPolarHBondContact CE2-O 3.35Å; Y485-R497 HydrophobicContact CD1-CG 3.68Å; Y485-R497 HydrophobicContact CD2-CB 4.08Å; Y485-R497 HydrophobicContact CD2-CG 3.95Å; Y485-R497 HydrophobicContact CE1-CG 3.76Å; Y485-R497 HydrophobicContact CE2-CB 4.4Å; Y485-R497 HydrophobicContact CE2-CG 4.02Å; Y485-R497 HydrophobicContact CG-CB 4.13Å; Y485-R497 HydrophobicContact CG-CG 3.76Å; Y485-F515 AromaticContact CD2-CD1 3.73Å; Y485-F515 HydrophobicContact CD2-CD1 3.73Å; Y485-F515 AromaticContact CD2-CE1 3.79Å; Y485-F515 HydrophobicContact CD2-CE1 3.79Å; Y485-F515 HydrophobicContact CD2-CG 4.14Å; Y485-F515 HydrophobicContact CD2-CZ 4.25Å; Y485-F515 HydrophobicContact CE2-CD1 4.42Å; Y485-F515 HydrophobicContact CG-CE1 4.42Å
486	N	93.5	Very high	91.2	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.032	21%	0.207	C	C	.	.			trans	-101.9	105.5	176.8	-177.6	-24.9	0	0	0	110.8	Y50 V484 N488 K489 C490	Y50-N486 VanDerWaalsContact CA-ND2 3.34Å; Y50-N486 WeakPolarHBondContact CA-ND2 3.42Å; Y50-N486 WeakPolarHBondContact CB-ND2 3.41Å; Y50-N486 HydrophobicContact CD1-CB 3.95Å; Y50-N486 HydrophobicContact CE1-CB 4.31Å; Y50-N486 HydrophobicContact CG-CB 4.33Å; Y50-N486 PolarHBondContact O-ND2 2.66Å; V484-N486 PolarHBondContact O-N 3.42Å; N486-N488 PolarHBondContact O-N 2.94Å; N486-N488 WeakPolarHBondContact OD1-CB 3.25Å; N486-N488 PolarHBondContact OD1-N 3.25Å; N486-K489 HydrophobicContact CB-CB 4.37Å; N486-K489 HydrophobicContact CB-CD 4.37Å; N486-K489 WeakPolarHBondContact ND2-CD 3.34Å; N486-K489 PolarHBondContact O-N 3.34Å; N486-C490 VanDerWaalsContact O-CB 3.22Å; N486-C490 WeakPolarHBondContact O-CB 3.3Å; N486-C490 PolarHBondContact O-N 3.05Å; N486-C490 PolarHBondContact O-SG 3.22Å
487	P	92.6	Very high	91.5	Very high	27 Å²	27	39.9 Å²	39.9	18%	0.175	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-36.7	-178.4	-23.4	33.2	0	0	0	113.1	Y50 Y485 K489 C490 N491	Y50-P487 WeakPolarHBondContact OH-CD 3.11Å; Y485-P487 HydrophobicContact CD1-CG 4.05Å; Y485-P487 HydrophobicContact CE1-CB 4.16Å; Y485-P487 HydrophobicContact CE1-CG 3.88Å; Y485-P487 WeakPolarHBondContact O-CD 3.48Å; P487-K489 PolarHBondContact O-N 2.87Å; P487-K489 VanDerWaalsContact O-N 3.14Å; P487-C490 PolarHBondContact O-N 2.84Å; P487-N491 HydrophobicContact CB-CB 4.2Å; P487-N491 VanDerWaalsContact O-CB 3.28Å; P487-N491 WeakPolarHBondContact O-CB 3.36Å; P487-N491 PolarHBondContact O-N 3.48Å
488	N	89.6	Confident	91.8	Very high	135 Å²	135	41.2 Å²	41.2	72%	0.722	21%	0.208	S	C	*	.	H	α-helix	trans	-65.8	-18.8	-178.5	-55.2	-16.5	0	0	0	112.8	N486	N486-N488 PolarHBondContact O-N 2.94Å; N486-N488 WeakPolarHBondContact OD1-CB 3.25Å; N486-N488 PolarHBondContact OD1-N 3.25Å
489	K	88.6	Confident	91.9	Very high	48 Å²	48	41.2 Å²	41.2	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-108	-23	176.5	-63.2	174	-179.1	162.4	0	112.5	Y50 Y52 Q56 N486 P487 I520	Y50-K489 PolarHBondContact O-NZ 3.45Å; Y52-K489 PolarHBondContact O-NZ 3.29Å; Q56-K489 WeakPolarHBondContact CG-O 3.23Å; Q56-K489 PolarHBondContact NE2-O 2.97Å; N486-K489 HydrophobicContact CB-CB 4.37Å; N486-K489 HydrophobicContact CB-CD 4.37Å; N486-K489 WeakPolarHBondContact ND2-CD 3.34Å; N486-K489 PolarHBondContact O-N 3.34Å; P487-K489 PolarHBondContact O-N 2.87Å; P487-K489 VanDerWaalsContact O-N 3.14Å; K489-I520 HydrophobicContact CD-CD1 4.22Å
490	C	92.3	Very high	92	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-126	-11	-162	-54.3	0	0	0	0	115.4	Y485 N486 P487 V492 S517 C518	Y485-C490 HydrophobicContact CD2-CB 4.03Å; Y485-C490 HydrophobicContact CE2-CB 3.47Å; Y485-C490 VanDerWaalsContact CE2-CB 3.47Å; Y485-C490 PolarHBondContact OH-O 3.21Å; N486-C490 VanDerWaalsContact O-CB 3.22Å; N486-C490 WeakPolarHBondContact O-CB 3.3Å; N486-C490 PolarHBondContact O-N 3.05Å; N486-C490 PolarHBondContact O-SG 3.22Å; P487-C490 PolarHBondContact O-N 2.84Å; C490-V492 PolarHBondContact O-N 2.8Å; C490-S517 WeakPolarHBondContact O-CB 3.45Å; C490-C518 HydrophobicContact CB-CB 3.95Å; C490-C518 WeakPolarHBondContact CB-SG 3.34Å; C490-C518 WeakPolarHBondContact SG-CB 3.43Å; C490-C518 CovalentContact SG-SG 2.03Å; C490-C518 PolarHBondContact SG-SG 3.03Å
491	N	91.7	Very high	92	Very high	68 Å²	68	43.8 Å²	43.8	36%	0.364	22%	0.223	S	C	.	.			trans	-94.2	85.3	179.4	-172.7	-2.9	0	0	0	110.7	Y485 P487 G494 E495	Y485-N491 WeakPolarHBondContact OH-CA 3.36Å; Y485-N491 PolarHBondContact OH-N 3.34Å; P487-N491 HydrophobicContact CB-CB 4.2Å; P487-N491 VanDerWaalsContact O-CB 3.28Å; P487-N491 WeakPolarHBondContact O-CB 3.36Å; P487-N491 PolarHBondContact O-N 3.48Å; N491-G494 WeakPolarHBondContact OD1-CA 3.44Å; N491-G494 PolarHBondContact OD1-N 2.62Å; N491-G494 PolarHBondContact OD1-O 2.77Å; N491-E495 WeakPolarHBondContact ND2-CG 3.39Å
492	V	86.3	Confident	92.1	Very high	53 Å²	53	44 Å²	44	32%	0.321	22%	0.224	S	C	.	.	S	Bend	trans	-102.9	-47.7	178.7	-175.6	0	0	0	0	112.1	I65 C490	I65-V492 WeakPolarHBondContact O-CG1 3.47Å; C490-V492 PolarHBondContact O-N 2.8Å
493	R	77.8	Confident	92.1	Very high	122 Å²	122	46.1 Å²	46.1	46%	0.46	23%	0.234	S	C	.	.	S	Bend	trans	-108.8	18.9	177.9	-49.8	-154	-138.4	-174.4	9.9	113.7	L67 D70	L67-R493 PolarHBondContact O-NE 3.01Å; D70-R493 VanDerWaalsContact CG-NH2 3.3Å; D70-R493 IonicContact OD1-CZ 2.74Å; D70-R493 IonicContact OD1-NE 3.64Å; D70-R493 IonicContact OD1-NH2 2.74Å; D70-R493 PolarHBondContact OD1-NH2 3.24Å; D70-R493 IonicContact OD2-NH2 2.73Å; D70-R493 PolarHBondContact OD2-NH2 2.92Å
494	G	80.2	Confident	92.1	Very high	36 Å²	36	46.4 Å²	46.4	37%	0.371	24%	0.236	S	C	.	.	S	Bend	trans	109.8	172.3	-168.7	0	0	0	0	0	112.8	N491 D496	N491-G494 WeakPolarHBondContact OD1-CA 3.44Å; N491-G494 PolarHBondContact OD1-N 2.62Å; N491-G494 PolarHBondContact OD1-O 2.77Å; G494-D496 VanDerWaalsContact C-N 3.29Å; G494-D496 PolarHBondContact O-N 3.47Å
495	E	81.8	Confident	91.9	Very high	130 Å²	130	46.5 Å²	46.5	61%	0.607	24%	0.236	S	C	*	.			trans	-78.4	66.2	-173.8	-63.1	-163.8	149.7	0	0	113.6	N491 R497	N491-E495 WeakPolarHBondContact ND2-CG 3.39Å; E495-R497 VanDerWaalsContact C-N 3.35Å; E495-R497 HydrophobicContact CB-CG 4.29Å; E495-R497 PolarHBondContact O-N 2.85Å; E495-R497 VanDerWaalsContact O-N 3.08Å
496	D	90	Very high	91.7	Very high	74 Å²	74	50.9 Å²	50.9	40%	0.396	25%	0.252	S	S	.	.			trans	-74.9	91.1	160	-175.3	5.4	0	0	0	109.5	Y485 G494 R498 S516	Y485-D496 VanDerWaalsContact CE2-O 3.32Å; Y485-D496 WeakPolarHBondContact CE2-O 3.35Å; G494-D496 VanDerWaalsContact C-N 3.29Å; G494-D496 PolarHBondContact O-N 3.47Å; D496-R498 VanDerWaalsContact C-N 3.32Å; D496-R498 WeakPolarHBondContact OD1-CB 3.11Å; D496-R498 PolarHBondContact OD1-N 3.41Å; D496-R498 VanDerWaalsContact OD1-N 3.15Å; D496-S516 WeakPolarHBondContact OD2-CB 3.46Å
497	R	95.4	Very high	91.6	Very high	44 Å²	44	55.4 Å²	55.4	17%	0.166	28%	0.277	C	S	.	.			trans	-86.1	4.6	178.6	-57.4	-174.4	68.2	-151	-1	113.2	N457 G458 D483 Y485 E495 V499 F515	N457-R497 PolarHBondContact O-NE 2.77Å; N457-R497 PolarHBondContact O-NH1 3.21Å; N457-R497 VanDerWaalsContact O-NH1 3.15Å; N457-R497 PolarHBondContact O-NH2 2.95Å; G458-R497 WeakPolarHBondContact CA-O 3.43Å; G458-R497 PolarHBondContact N-O 3.09Å; D483-R497 IonicContact OD1-CZ 2.64Å; D483-R497 IonicContact OD1-NH2 2.7Å; D483-R497 PolarHBondContact OD1-NH2 2.97Å; D483-R497 IonicContact OD2-NH2 2.74Å; D483-R497 PolarHBondContact OD2-NH2 3.06Å; Y485-R497 HydrophobicContact CD1-CG 3.68Å; Y485-R497 HydrophobicContact CD2-CB 4.08Å; Y485-R497 HydrophobicContact CD2-CG 3.95Å; Y485-R497 HydrophobicContact CE1-CG 3.76Å; Y485-R497 HydrophobicContact CE2-CB 4.4Å; Y485-R497 HydrophobicContact CE2-CG 4.02Å; Y485-R497 HydrophobicContact CG-CB 4.13Å; Y485-R497 HydrophobicContact CG-CG 3.76Å; E495-R497 VanDerWaalsContact C-N 3.35Å; E495-R497 HydrophobicContact CB-CG 4.29Å; E495-R497 PolarHBondContact O-N 2.85Å; E495-R497 VanDerWaalsContact O-N 3.08Å; R497-V499 PolarHBondContact O-N 2.82Å; R497-F515 WeakPolarHBondContact O-CE1 3.43Å
498	R	96.8	Very high	91.5	Very high	77 Å²	77	56.8 Å²	56.8	29%	0.291	28%	0.281	S	S	.	.			trans	-68.7	125.6	-175.8	-174.8	173.9	176.9	103.1	-2.7	111.3	T434 D456 D496 L500 F515	T434-R498 HydrophobicContact CG2-CG 4.21Å; T434-R498 VanDerWaalsContact CG2-CZ 3.41Å; D456-R498 HydrophobicContact CB-CB 4.48Å; D456-R498 HydrophobicContact CB-CG 4.13Å; D496-R498 VanDerWaalsContact C-N 3.32Å; D496-R498 WeakPolarHBondContact OD1-CB 3.11Å; D496-R498 PolarHBondContact OD1-N 3.41Å; D496-R498 VanDerWaalsContact OD1-N 3.15Å; R498-L500 HydrophobicContact CB-CD2 4.28Å; R498-L500 HydrophobicContact CG-CD2 3.95Å; R498-L500 PolarHBondContact O-N 2.92Å; R498-F515 WeakPolarHBondContact O-CD1 3.29Å
499	V	98.4	Very high	91.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.256	C	S	.	.			trans	-69.1	115.8	167.8	-178.8	0	0	0	0	108.1	T434 Q435 S455 R497 L502 V513 F515	T434-V499 PolarHBondContact OG1-O 2.82Å; Q435-V499 HydrophobicContact CB-CG1 4.24Å; Q435-V499 HydrophobicContact CG-CG1 4.17Å; Q435-V499 WeakPolarHBondContact CG-O 3.05Å; S455-V499 WeakPolarHBondContact O-CB 3.44Å; S455-V499 WeakPolarHBondContact O-CG2 3.46Å; S455-V499 PolarHBondContact O-N 3.26Å; R497-V499 PolarHBondContact O-N 2.82Å; V499-L502 HydrophobicContact CG1-CD2 3.91Å; V499-L502 HydrophobicContact CG1-CG 4.2Å; V499-V513 HydrophobicContact CG1-CG1 3.93Å; V499-V513 HydrophobicContact CG2-CG1 4.08Å; V499-F515 HydrophobicContact CG2-CD1 4.48Å; V499-F515 HydrophobicContact CG2-CE1 3.75Å; V499-F515 HydrophobicContact CG2-CZ 4.13Å
500	L	97.2	Very high	92	Very high	54 Å²	54	50.1 Å²	50.1	28%	0.283	25%	0.246	S	C	.	.			trans	-98.5	-18.1	-176.4	-61.7	-175.3	0	0	0	113.3	F71 Q435 R498 A514	F71-L500 HydrophobicContact CD1-CB 3.72Å; F71-L500 HydrophobicContact CD1-CD1 4.08Å; F71-L500 HydrophobicContact CE1-CB 3.86Å; Q435-L500 PolarHBondContact NE2-O 3.06Å; Q435-L500 VanDerWaalsContact NE2-O 3.08Å; R498-L500 HydrophobicContact CB-CD2 4.28Å; R498-L500 HydrophobicContact CG-CD2 3.95Å; R498-L500 PolarHBondContact O-N 2.92Å; L500-A514 PolarHBondContact N-O 2.88Å
501	G	97.6	Very high	92.2	Very high	9 Å²	9	50 Å²	50	9%	0.093	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	150.6	175.8	0	0	0	0	0	112.6	A514	G501-A514 PolarHBondContact N-O 3.03Å; G501-A514 PolarHBondContact O-N 3.38Å
502	L	98.4	Very high	92.5	Very high	21 Å²	21	46.9 Å²	46.9	11%	0.11	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137	171.4	-67.4	-178.6	0	0	0	108.5	Q435 A437 F452 V460 V499 L511 F512 V513	Q435-L502 HydrophobicContact CB-CD1 4.01Å; Q435-L502 HydrophobicContact CB-CG 3.87Å; A437-L502 HydrophobicContact CB-CB 3.9Å; A437-L502 HydrophobicContact CB-CD1 4.35Å; F452-L502 HydrophobicContact CB-CD1 4.47Å; F452-L502 WeakPolarHBondContact O-CD1 3.39Å; V460-L502 HydrophobicContact CG2-CD2 4.46Å; V499-L502 HydrophobicContact CG1-CD2 3.91Å; V499-L502 HydrophobicContact CG1-CG 4.2Å; L502-L511 HydrophobicContact CB-CD1 4.29Å; L502-L511 HydrophobicContact CD2-CD1 4.41Å; L502-L511 HydrophobicContact CD2-CD2 4.13Å; L502-L511 HydrophobicContact CD2-CG 4.3Å; L502-F512 WeakPolarHBondContact CA-O 3.28Å; L502-V513 HydrophobicContact CD2-CB 4.18Å; L502-V513 HydrophobicContact CD2-CG1 4.01Å; L502-V513 HydrophobicContact CD2-CG2 3.81Å
503	E	97.4	Very high	93.1	Very high	46 Å²	46	44.3 Å²	44.3	22%	0.215	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132.9	175.7	-176.5	67.8	-96.4	0	0	109.6	M74 R76 L81 F512	M74-E503 HydrophobicContact CB-CB 4.15Å; M74-E503 HydrophobicContact CB-CG 4.48Å; M74-E503 HydrophobicContact CE-CB 3.65Å; M74-E503 HydrophobicContact SD-CB 3.94Å; R76-E503 HydrophobicContact CB-CG 3.94Å; R76-E503 PolarHBondContact N-OE2 3.43Å; R76-E503 VanDerWaalsContact N-OE2 3.16Å; L81-E503 HydrophobicContact CD1-CB 4.46Å; L81-E503 HydrophobicContact CD1-CG 3.81Å; E503-F512 HydrophobicContact CB-CB 4.39Å; E503-F512 PolarHBondContact N-O 3.29Å; E503-F512 PolarHBondContact O-N 2.91Å
504	L	95.9	Very high	94.1	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.099	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.3	-166	-174.2	70.3	0	0	0	112	R76 A437 V438 D439 F452 R506 L511 L524	R76-L504 PolarHBondContact NH1-O 3.35Å; R76-L504 VanDerWaalsContact NH1-O 3.11Å; A437-L504 HydrophobicContact CB-CB 4.45Å; V438-L504 WeakPolarHBondContact O-CD2 3.22Å; D439-L504 HydrophobicContact CB-CD2 3.95Å; F452-L504 HydrophobicContact CD2-CD1 4.38Å; F452-L504 HydrophobicContact CE2-CD1 4.17Å; L504-R506 HydrophobicContact CD2-CG 3.64Å; L504-R506 HydrophobicContact CG-CG 3.75Å; L504-L511 HydrophobicContact CD1-CD1 4.17Å; L504-L524 HydrophobicContact CD1-CD1 4.17Å; L504-L524 HydrophobicContact CD1-CD2 3.55Å
505	D	94	Very high	94.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	83.5	174.4	-174.1	6.5	0	0	0	111	R76 L94 D507 H508 H509 A510 F512	R76-D505 IonicContact NH1-OD1 3.09Å; L94-D505 WeakPolarHBondContact CB-OD2 3.45Å; L94-D505 HydrophobicContact CD1-CB 4.47Å; D505-D507 PolarHBondContact O-N 2.86Å; D505-D507 PolarHBondContact OD1-N 2.93Å; D505-H508 VanDerWaalsContact CG-ND1 3.28Å; D505-H508 IonicContact OD1-CE1 3.64Å; D505-H508 IonicContact OD1-CG 3.9Å; D505-H508 PolarHBondContact OD1-N 3.19Å; D505-H508 IonicContact OD1-ND1 3.76Å; D505-H508 PolarHBondContact OD1-ND1 3.01Å; D505-H508 WeakPolarHBondContact OD2-CB 3.19Å; D505-H508 IonicContact OD2-CE1 2.65Å; D505-H508 IonicContact OD2-CG 3.87Å; D505-H508 IonicContact OD2-ND1 2.7Å; D505-H508 PolarHBondContact OD2-ND1 2.92Å; D505-H509 WeakPolarHBondContact O-CA 3.29Å; D505-H509 PolarHBondContact O-N 3.19Å; D505-A510 CarbonylContact C-O 3.56Å; D505-A510 WeakPolarHBondContact CA-O 3.19Å; D505-A510 HydrophobicContact CB-CB 4.5Å; D505-A510 PolarHBondContact N-O 3.02Å; D505-A510 PolarHBondContact O-N 3.06Å; D505-F512 HydrophobicContact CB-CD2 4.37Å; D505-F512 HydrophobicContact CB-CE2 3.92Å
506	R	91.3	Very high	95.5	Very high	94 Å²	94	31.9 Å²	31.9	36%	0.355	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.3	178.7	-56	-177.4	66.5	-155.8	-2.9	113.2	D439 S441 L504	D439-R506 IonicContact OD1-CZ 2.69Å; D439-R506 IonicContact OD1-NE 3.82Å; D439-R506 PolarHBondContact OD1-NE 2.91Å; D439-R506 VanDerWaalsContact OD1-NE 3.09Å; D439-R506 IonicContact OD1-NH1 2.77Å; D439-R506 IonicContact OD1-NH2 3.23Å; D439-R506 PolarHBondContact OD1-NH2 2.8Å; D439-R506 IonicContact OD2-CZ 2.99Å; D439-R506 IonicContact OD2-NE 3.72Å; D439-R506 PolarHBondContact OD2-NE 3.08Å; D439-R506 IonicContact OD2-NH2 2.97Å; D439-R506 PolarHBondContact OD2-NH2 3.17Å; S441-R506 VanDerWaalsContact C-NH2 3.33Å; S441-R506 PolarHBondContact O-NH2 2.87Å; S441-R506 VanDerWaalsContact OG-CZ 3.3Å; S441-R506 PolarHBondContact OG-NH1 3.13Å; S441-R506 PolarHBondContact OG-NH2 3.15Å; L504-R506 HydrophobicContact CD2-CG 3.64Å; L504-R506 HydrophobicContact CG-CG 3.75Å
507	D	89.9	Confident	95.8	Very high	101 Å²	101	28.9 Å²	28.9	54%	0.54	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-33	-170.7	-54.1	-71.4	0	0	0	111.6	R76 D505	R76-D507 IonicContact CZ-OD2 3.66Å; R76-D507 IonicContact NH1-OD2 3.64Å; R76-D507 PolarHBondContact NH1-OD2 3.02Å; R76-D507 IonicContact NH2-OD2 3.51Å; R76-D507 PolarHBondContact NH2-OD2 2.89Å; D505-D507 PolarHBondContact O-N 2.86Å; D505-D507 PolarHBondContact OD1-N 2.93Å
508	H	91.4	Very high	95.8	Very high	57 Å²	57	26.8 Å²	26.8	26%	0.264	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	21.7	173.1	-36.9	91.3	0	0	0	112.7	G95 D505 A510 R521	G95-H508 WeakPolarHBondContact CA-NE2 3.16Å; D505-H508 VanDerWaalsContact CG-ND1 3.28Å; D505-H508 IonicContact OD1-CE1 3.64Å; D505-H508 IonicContact OD1-CG 3.9Å; D505-H508 PolarHBondContact OD1-N 3.19Å; D505-H508 IonicContact OD1-ND1 3.76Å; D505-H508 PolarHBondContact OD1-ND1 3.01Å; D505-H508 WeakPolarHBondContact OD2-CB 3.19Å; D505-H508 IonicContact OD2-CE1 2.65Å; D505-H508 IonicContact OD2-CG 3.87Å; D505-H508 IonicContact OD2-ND1 2.7Å; D505-H508 PolarHBondContact OD2-ND1 2.92Å; H508-A510 PolarHBondContact O-N 2.87Å; H508-R521 PolarHBondContact O-NH2 2.64Å
509	H	93.1	Very high	95.8	Very high	43 Å²	43	23.1 Å²	23.1	20%	0.199	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	45.2	170.7	-158.1	70.3	0	0	0	115.7	D505 L524 S525 Y544 T555	D505-H509 WeakPolarHBondContact O-CA 3.29Å; D505-H509 PolarHBondContact O-N 3.19Å; H509-L524 PolarHBondContact O-N 2.95Å; H509-L524 VanDerWaalsContact O-N 3.16Å; H509-S525 PolarHBondContact NE2-N 3.02Å; H509-S525 PolarHBondContact NE2-OG 2.8Å; H509-Y544 AromaticContact CE1-CD1 3.66Å; H509-Y544 AromaticContact CE1-CG 3.76Å; H509-T555 VanDerWaalsContact CE1-CG2 3.46Å; H509-T555 WeakPolarHBondContact CE1-CG2 3.5Å; H509-T555 VanDerWaalsContact NE2-CG2 3.31Å; H509-T555 WeakPolarHBondContact NE2-CG2 3.27Å
510	A	94.8	Very high	95.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.9	-178.3	0	0	0	0	0	115.2	D505 H508 F512 R521 V522	D505-A510 CarbonylContact C-O 3.56Å; D505-A510 WeakPolarHBondContact CA-O 3.19Å; D505-A510 HydrophobicContact CB-CB 4.5Å; D505-A510 PolarHBondContact N-O 3.02Å; D505-A510 PolarHBondContact O-N 3.06Å; H508-A510 PolarHBondContact O-N 2.87Å; A510-F512 HydrophobicContact CB-CE2 4.41Å; A510-R521 HydrophobicContact CB-CG 3.74Å; A510-V522 CarbonylContact C-O 3.49Å; A510-V522 WeakPolarHBondContact CA-O 3.42Å
511	L	97.6	Very high	95.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.7	167.4	-179.6	71.8	0	0	0	108.1	A437 F452 V460 L502 L504 V513 V522 L524	A437-L511 HydrophobicContact CB-CD1 4Å; F452-L511 HydrophobicContact CB-CD1 4.44Å; F452-L511 HydrophobicContact CB-CD2 3.9Å; F452-L511 HydrophobicContact CD1-CD2 3.82Å; F452-L511 HydrophobicContact CG-CD2 3.94Å; V460-L511 HydrophobicContact CG1-CD2 3.97Å; L502-L511 HydrophobicContact CB-CD1 4.29Å; L502-L511 HydrophobicContact CD2-CD1 4.41Å; L502-L511 HydrophobicContact CD2-CD2 4.13Å; L502-L511 HydrophobicContact CD2-CG 4.3Å; L504-L511 HydrophobicContact CD1-CD1 4.17Å; L511-V513 HydrophobicContact CD2-CG2 4.01Å; L511-V513 HydrophobicContact CG-CG2 4.07Å; L511-V522 PolarHBondContact N-O 3.47Å; L511-V522 PolarHBondContact O-N 2.89Å; L511-L524 HydrophobicContact CB-CD2 3.77Å
512	F	97.9	Very high	95.7	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.1	171.2	-68.4	-96.1	0	0	0	108.9	M74 L81 L94 I101 L502 E503 D505 A510 V519 I520 R521	M74-F512 HydrophobicContact CE-CB 4.18Å; M74-F512 HydrophobicContact SD-CB 3.87Å; L81-F512 HydrophobicContact CD2-CB 4.27Å; L81-F512 HydrophobicContact CD2-CD1 3.61Å; L81-F512 HydrophobicContact CD2-CD2 3.93Å; L81-F512 HydrophobicContact CD2-CE1 3.84Å; L81-F512 HydrophobicContact CD2-CE2 4.15Å; L81-F512 HydrophobicContact CD2-CG 3.65Å; L81-F512 HydrophobicContact CD2-CZ 4.11Å; L94-F512 HydrophobicContact CD2-CD2 4.42Å; L94-F512 HydrophobicContact CD2-CE2 3.46Å; L94-F512 VanDerWaalsContact CD2-CE2 3.46Å; L94-F512 HydrophobicContact CD2-CZ 3.56Å; I101-F512 HydrophobicContact CD1-CD1 4.3Å; I101-F512 HydrophobicContact CD1-CE1 4.12Å; I101-F512 HydrophobicContact CG1-CE1 4.33Å; L502-F512 WeakPolarHBondContact CA-O 3.28Å; E503-F512 HydrophobicContact CB-CB 4.39Å; E503-F512 PolarHBondContact N-O 3.29Å; E503-F512 PolarHBondContact O-N 2.91Å; D505-F512 HydrophobicContact CB-CD2 4.37Å; D505-F512 HydrophobicContact CB-CE2 3.92Å; A510-F512 HydrophobicContact CB-CE2 4.41Å; F512-V519 HydrophobicContact CB-CG1 4.25Å; F512-V519 HydrophobicContact CD1-CG1 4.37Å; F512-I520 WeakPolarHBondContact CA-O 3.49Å; F512-R521 HydrophobicContact CD1-CB 4.25Å; F512-R521 HydrophobicContact CE1-CB 3.98Å; F512-R521 HydrophobicContact CE1-CG 3.99Å; F512-R521 HydrophobicContact CE2-CG 4.49Å; F512-R521 HydrophobicContact CZ-CB 4.48Å; F512-R521 HydrophobicContact CZ-CG 3.99Å
513	V	98.5	Very high	95.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.5	-175.9	-174.8	0	0	0	0	108.5	V460 V484 V499 L502 L511 F515 V519 I520 V522	V460-V513 HydrophobicContact CG2-CG1 3.97Å; V460-V513 HydrophobicContact CG2-CG2 4.08Å; V484-V513 HydrophobicContact CB-CG1 4.5Å; V484-V513 HydrophobicContact CG1-CB 3.99Å; V484-V513 HydrophobicContact CG1-CG1 3.99Å; V484-V513 HydrophobicContact CG1-CG2 4.18Å; V499-V513 HydrophobicContact CG1-CG1 3.93Å; V499-V513 HydrophobicContact CG2-CG1 4.08Å; L502-V513 HydrophobicContact CD2-CB 4.18Å; L502-V513 HydrophobicContact CD2-CG1 4.01Å; L502-V513 HydrophobicContact CD2-CG2 3.81Å; L511-V513 HydrophobicContact CD2-CG2 4.01Å; L511-V513 HydrophobicContact CG-CG2 4.07Å; V513-F515 HydrophobicContact CG1-CE2 3.83Å; V513-F515 HydrophobicContact CG1-CZ 3.92Å; V513-V519 CarbonylContact O-C 3.58Å; V513-V519 WeakPolarHBondContact O-CA 3.2Å; V513-I520 PolarHBondContact N-O 3.05Å; V513-I520 PolarHBondContact O-N 2.96Å; V513-V522 HydrophobicContact CG2-CB 4.41Å; V513-V522 HydrophobicContact CG2-CG2 3.7Å
514	A	98.2	Very high	95.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.3	-175.7	0	0	0	0	0	112.6	F71 M74 L500 G501 V519	F71-A514 HydrophobicContact CD1-CB 3.81Å; F71-A514 HydrophobicContact CD2-CB 3.91Å; F71-A514 HydrophobicContact CE1-CB 3.52Å; F71-A514 HydrophobicContact CE2-CB 3.65Å; F71-A514 HydrophobicContact CG-CB 3.98Å; F71-A514 HydrophobicContact CZ-CB 3.43Å; F71-A514 VanDerWaalsContact CZ-CB 3.43Å; M74-A514 HydrophobicContact CE-CB 3.83Å; M74-A514 HydrophobicContact SD-CB 4.45Å; L500-A514 PolarHBondContact N-O 2.88Å; G501-A514 PolarHBondContact N-O 3.03Å; G501-A514 PolarHBondContact O-N 3.38Å; A514-V519 HydrophobicContact CB-CG1 4.38Å; A514-V519 HydrophobicContact CB-CG2 3.83Å
515	F	97.4	Very high	95.4	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.1	C	C	.	.			trans	-122.8	170.2	172.7	-57.9	-87.6	0	0	0	109.1	F71 V484 Y485 R497 R498 V499 V513 S517 C518 I520	F71-F515 WeakPolarHBondContact CB-O 3.39Å; V484-F515 HydrophobicContact CB-CZ 4.25Å; V484-F515 HydrophobicContact CG1-CE2 4.11Å; V484-F515 HydrophobicContact CG1-CZ 4.22Å; Y485-F515 AromaticContact CD2-CD1 3.73Å; Y485-F515 HydrophobicContact CD2-CD1 3.73Å; Y485-F515 AromaticContact CD2-CE1 3.79Å; Y485-F515 HydrophobicContact CD2-CE1 3.79Å; Y485-F515 HydrophobicContact CD2-CG 4.14Å; Y485-F515 HydrophobicContact CD2-CZ 4.25Å; Y485-F515 HydrophobicContact CE2-CD1 4.42Å; Y485-F515 HydrophobicContact CG-CE1 4.42Å; R497-F515 WeakPolarHBondContact O-CE1 3.43Å; R498-F515 WeakPolarHBondContact O-CD1 3.29Å; V499-F515 HydrophobicContact CG2-CD1 4.48Å; V499-F515 HydrophobicContact CG2-CE1 3.75Å; V499-F515 HydrophobicContact CG2-CZ 4.13Å; V513-F515 HydrophobicContact CG1-CE2 3.83Å; V513-F515 HydrophobicContact CG1-CZ 3.92Å; F515-S517 VanDerWaalsContact C-N 3.31Å; F515-S517 PolarHBondContact O-N 3.08Å; F515-C518 VanDerWaalsContact CD2-SG 3.54Å; F515-C518 PolarHBondContact N-O 2.88Å; F515-C518 PolarHBondContact O-N 2.86Å; F515-I520 HydrophobicContact CD2-CG1 4.42Å; F515-I520 HydrophobicContact CE2-CG1 4.1Å
516	S	94.9	Very high	95.4	Very high	26 Å²	26	20.7 Å²	20.7	18%	0.182	10%	0.102	C	C	.	.	S	Bend	trans	-51.9	-44.2	-179	179.1	0	0	0	0	113.9	D70 F71 D496	D70-S516 CarbonylContact C-O 3.56Å; D70-S516 VanDerWaalsContact CA-O 3.24Å; D70-S516 WeakPolarHBondContact CA-O 3.31Å; D70-S516 PolarHBondContact N-O 3.33Å; F71-S516 PolarHBondContact N-O 2.87Å; D496-S516 WeakPolarHBondContact OD2-CB 3.46Å
517	S	94.9	Very high	95.6	Very high	10 Å²	10	16.3 Å²	16.3	7%	0.07	9%	0.086	C	C	.	.	S	Bend	trans	-103.8	-6.2	-176.7	-65	0	0	0	0	115.8	L69 C490 F515	L69-S517 WeakPolarHBondContact CB-O 3.22Å; C490-S517 WeakPolarHBondContact O-CB 3.45Å; F515-S517 VanDerWaalsContact C-N 3.31Å; F515-S517 PolarHBondContact O-N 3.08Å
518	C	95.6	Very high	95.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.			trans	-156.5	163.7	-171	72.9	0	0	0	0	113.2	F55 C490 F515	F55-C518 CarbonylContact O-C 3.57Å; F55-C518 WeakPolarHBondContact O-CA 3.47Å; C490-C518 HydrophobicContact CB-CB 3.95Å; C490-C518 WeakPolarHBondContact CB-SG 3.34Å; C490-C518 WeakPolarHBondContact SG-CB 3.43Å; C490-C518 CovalentContact SG-SG 2.03Å; C490-C518 PolarHBondContact SG-SG 3.03Å; F515-C518 VanDerWaalsContact CD2-SG 3.54Å; F515-C518 PolarHBondContact N-O 2.88Å; F515-C518 PolarHBondContact O-N 2.86Å
519	V	97.6	Very high	95.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.4	166.7	-175.9	0	0	0	0	109.5	G54 F55 L69 F71 M74 I83 F512 V513 A514	G54-V519 CarbonylContact C-O 3.54Å; G54-V519 VanDerWaalsContact CA-O 3.32Å; G54-V519 WeakPolarHBondContact CA-O 3.5Å; F55-V519 HydrophobicContact CB-CB 4.5Å; F55-V519 PolarHBondContact N-O 2.93Å; F55-V519 PolarHBondContact O-N 2.81Å; L69-V519 HydrophobicContact CD2-CG2 4.06Å; F71-V519 HydrophobicContact CD2-CG2 4.19Å; M74-V519 HydrophobicContact SD-CG1 4.11Å; I83-V519 HydrophobicContact CD1-CB 4.32Å; I83-V519 HydrophobicContact CD1-CG1 4.44Å; I83-V519 HydrophobicContact CD1-CG2 4.05Å; I83-V519 HydrophobicContact CG2-CG2 4.49Å; F512-V519 HydrophobicContact CB-CG1 4.25Å; F512-V519 HydrophobicContact CD1-CG1 4.37Å; V513-V519 CarbonylContact O-C 3.58Å; V513-V519 WeakPolarHBondContact O-CA 3.2Å; A514-V519 HydrophobicContact CB-CG1 4.38Å; A514-V519 HydrophobicContact CB-CG2 3.83Å
520	I	97.1	Very high	95.5	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.2	-177.3	-53.7	-59.5	0	0	0	110.1	P53 V484 K489 F512 V513 F515 V522	P53-I520 WeakPolarHBondContact O-CA 3.45Å; V484-I520 HydrophobicContact CG1-CB 3.99Å; V484-I520 HydrophobicContact CG1-CG1 4.35Å; V484-I520 HydrophobicContact CG1-CG2 3.93Å; K489-I520 HydrophobicContact CD-CD1 4.22Å; F512-I520 WeakPolarHBondContact CA-O 3.49Å; V513-I520 PolarHBondContact N-O 3.05Å; V513-I520 PolarHBondContact O-N 2.96Å; F515-I520 HydrophobicContact CD2-CG1 4.42Å; F515-I520 HydrophobicContact CE2-CG1 4.1Å; I520-V522 HydrophobicContact CG2-CG2 4.14Å
521	R	96.7	Very high	95.2	Very high	32 Å²	32	21.5 Å²	21.5	12%	0.121	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	105.7	174.3	-177	-178.3	177.4	-92.9	-8.9	109.9	P53 S97 S98 I101 H508 A510 F512	P53-R521 HydrophobicContact CB-CB 4.22Å; P53-R521 PolarHBondContact O-N 3.23Å; S97-R521 WeakPolarHBondContact O-CD 3.48Å; S97-R521 PolarHBondContact O-NE 2.94Å; S98-R521 PolarHBondContact O-NH1 2.97Å; I101-R521 HydrophobicContact CD1-CB 3.96Å; I101-R521 HydrophobicContact CG1-CB 4.28Å; H508-R521 PolarHBondContact O-NH2 2.64Å; A510-R521 HydrophobicContact CB-CG 3.74Å; F512-R521 HydrophobicContact CD1-CB 4.25Å; F512-R521 HydrophobicContact CE1-CB 3.98Å; F512-R521 HydrophobicContact CE1-CG 3.99Å; F512-R521 HydrophobicContact CE2-CG 4.49Å; F512-R521 HydrophobicContact CZ-CB 4.48Å; F512-R521 HydrophobicContact CZ-CG 3.99Å
522	V	96.7	Very high	94.9	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.7	-178.8	-178.2	0	0	0	0	109.9	Y52 I482 V484 A510 L511 V513 I520	Y52-V522 HydrophobicContact CD2-CB 4.39Å; Y52-V522 HydrophobicContact CD2-CG1 4.28Å; Y52-V522 HydrophobicContact CD2-CG2 4Å; Y52-V522 HydrophobicContact CE2-CB 4.45Å; Y52-V522 HydrophobicContact CE2-CG1 3.85Å; Y52-V522 HydrophobicContact CE2-CG2 4.34Å; I482-V522 HydrophobicContact CD1-CG1 4.44Å; V484-V522 HydrophobicContact CG1-CG2 3.59Å; V484-V522 HydrophobicContact CG2-CG2 3.98Å; A510-V522 CarbonylContact C-O 3.49Å; A510-V522 WeakPolarHBondContact CA-O 3.42Å; L511-V522 PolarHBondContact N-O 3.47Å; L511-V522 PolarHBondContact O-N 2.89Å; V513-V522 HydrophobicContact CG2-CB 4.41Å; V513-V522 HydrophobicContact CG2-CG2 3.7Å; I520-V522 HydrophobicContact CG2-CG2 4.14Å
523	P	95.4	Very high	94.5	Very high	39 Å²	39	27.7 Å²	27.7	25%	0.253	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	140.3	172.3	-21.3	33.5	0	0	0	111.9	Y52 S525 R526	Y52-P523 HydrophobicContact CE1-CG 4.16Å; P523-S525 PolarHBondContact O-N 3.02Å; P523-R526 PolarHBondContact O-NH1 2.75Å
524	L	95.6	Very high	94.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.16	C	C	.	.	S	Bend	trans	-66.3	-26.2	180	-60.7	177	0	0	0	113	F452 K462 L504 H509 L511 R526 Y544	F452-L524 HydrophobicContact CE1-CD2 4.2Å; F452-L524 HydrophobicContact CE2-CD2 3.94Å; F452-L524 HydrophobicContact CZ-CB 4.32Å; F452-L524 HydrophobicContact CZ-CD2 3.6Å; K462-L524 PolarHBondContact NZ-O 3.25Å; L504-L524 HydrophobicContact CD1-CD1 4.17Å; L504-L524 HydrophobicContact CD1-CD2 3.55Å; H509-L524 PolarHBondContact O-N 2.95Å; H509-L524 VanDerWaalsContact O-N 3.16Å; L511-L524 HydrophobicContact CB-CD2 3.77Å; L524-R526 PolarHBondContact O-NH2 3.29Å; L524-Y544 HydrophobicContact CB-CD2 4.34Å; L524-Y544 HydrophobicContact CB-CE2 4.15Å; L524-Y544 HydrophobicContact CD1-CE1 4.45Å
525	S	95	Very high	93.7	Very high	7 Å²	7	35 Å²	35	5%	0.049	18%	0.179	C	C	.	.			trans	-143.7	165.7	175.1	64.7	0	0	0	0	112.7	H509 P523 C527 D542 T555	H509-S525 PolarHBondContact NE2-N 3.02Å; H509-S525 PolarHBondContact NE2-OG 2.8Å; P523-S525 PolarHBondContact O-N 3.02Å; S525-C527 VanDerWaalsContact CB-SG 3.59Å; S525-C527 PolarHBondContact OG-SG 2.99Å; S525-D542 WeakPolarHBondContact CB-OD2 3.07Å; S525-T555 PolarHBondContact OG-OG1 3.36Å
526	R	94.1	Very high	93.3	Very high	16 Å²	16	37.3 Å²	37.3	6%	0.06	20%	0.196	C	C	.	.			trans	-122.1	33	-177.8	-85.4	145.7	-70.8	-66.8	-14.1	112.1	E480 P523 L524 H528 D529	E480-R526 IonicContact OE1-CZ 2.93Å; E480-R526 IonicContact OE1-NE 2.63Å; E480-R526 IonicContact OE1-NH2 2.79Å; E480-R526 PolarHBondContact OE1-NH2 2.88Å; E480-R526 IonicContact OE2-CZ 3.45Å; E480-R526 VanDerWaalsContact OE2-CZ 3.23Å; E480-R526 IonicContact OE2-NE 2.74Å; E480-R526 PolarHBondContact OE2-NE 2.88Å; E480-R526 IonicContact OE2-NH2 3.86Å; E480-R526 PolarHBondContact OE2-NH2 2.81Å; P523-R526 PolarHBondContact O-NH1 2.75Å; L524-R526 PolarHBondContact O-NH2 3.29Å; R526-H528 PolarHBondContact O-N 3.19Å; R526-H528 VanDerWaalsContact O-N 3.08Å; R526-D529 HydrophobicContact CB-CB 4.48Å; R526-D529 WeakPolarHBondContact CB-OD2 3.31Å; R526-D529 WeakPolarHBondContact CG-OD2 3.26Å; R526-D529 VanDerWaalsContact O-CB 3.29Å; R526-D529 WeakPolarHBondContact O-CB 3.25Å; R526-D529 PolarHBondContact O-N 2.79Å
527	C	94.2	Very high	93.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.5	-34.6	-171.8	-44.8	0	0	0	0	113.8	S525 D529 Y530 Y544 C545 C553 V554	S525-C527 VanDerWaalsContact CB-SG 3.59Å; S525-C527 PolarHBondContact OG-SG 2.99Å; C527-D529 VanDerWaalsContact C-N 3.26Å; C527-D529 PolarHBondContact O-N 3.03Å; C527-Y530 PolarHBondContact O-N 2.67Å; C527-Y544 PolarHBondContact SG-O 3Å; C527-C545 WeakPolarHBondContact CA-SG 3.27Å; C527-C545 HydrophobicContact CB-CB 3.76Å; C527-C545 WeakPolarHBondContact CB-SG 3.4Å; C527-C545 WeakPolarHBondContact SG-CA 3.16Å; C527-C545 WeakPolarHBondContact SG-CB 3.49Å; C527-C545 CovalentContact SG-SG 2.03Å; C527-C545 PolarHBondContact SG-SG 2.82Å; C527-C553 VanDerWaalsContact O-CB 3.31Å; C527-C553 WeakPolarHBondContact O-CB 3.38Å; C527-C553 PolarHBondContact O-SG 2.78Å; C527-C553 VanDerWaalsContact O-SG 3.39Å; C527-V554 VanDerWaalsContact CB-C 3.43Å
528	H	91.6	Very high	93.1	Very high	119 Å²	119	36.2 Å²	36.2	55%	0.551	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-67.3	-23.4	178.1	-63.1	-52	0	0	0	113.8	R526 Y530 T531	R526-H528 PolarHBondContact O-N 3.19Å; R526-H528 VanDerWaalsContact O-N 3.08Å; H528-Y530 VanDerWaalsContact C-N 3.25Å; H528-Y530 PolarHBondContact O-N 3.42Å; H528-T531 WeakPolarHBondContact O-CA 3.45Å; H528-T531 WeakPolarHBondContact O-CG2 3.45Å; H528-T531 PolarHBondContact O-N 3.17Å
529	D	91.1	Very high	92.9	Very high	71 Å²	71	38.3 Å²	38.3	38%	0.38	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-65.7	-33.9	178.4	-60.2	2.3	0	0	0	110	R526 C527 T531	R526-D529 HydrophobicContact CB-CB 4.48Å; R526-D529 WeakPolarHBondContact CB-OD2 3.31Å; R526-D529 WeakPolarHBondContact CG-OD2 3.26Å; R526-D529 VanDerWaalsContact O-CB 3.29Å; R526-D529 WeakPolarHBondContact O-CB 3.25Å; R526-D529 PolarHBondContact O-N 2.79Å; C527-D529 VanDerWaalsContact C-N 3.26Å; C527-D529 PolarHBondContact O-N 3.03Å; D529-T531 PolarHBondContact O-N 3.15Å
530	Y	90.3	Very high	92.7	Very high	36 Å²	36	38.7 Å²	38.7	14%	0.141	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-69.4	-10.8	173.7	-51.8	-54.6	0	0	0	113.8	C527 H528 N532 C533 S540	C527-Y530 PolarHBondContact O-N 2.67Å; H528-Y530 VanDerWaalsContact C-N 3.25Å; H528-Y530 PolarHBondContact O-N 3.42Å; Y530-N532 PolarHBondContact O-N 3.14Å; Y530-C533 WeakPolarHBondContact O-CB 3.39Å; Y530-C533 PolarHBondContact O-N 2.98Å; Y530-S540 WeakPolarHBondContact OH-CB 3.23Å
531	T	88.9	Confident	92.5	Very high	84 Å²	84	40.9 Å²	40.9	52%	0.515	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.5	-105.3	176.7	58.2	0	0	0	0	114.1	H528 D529 S552 C553	H528-T531 WeakPolarHBondContact O-CA 3.45Å; H528-T531 WeakPolarHBondContact O-CG2 3.45Å; H528-T531 PolarHBondContact O-N 3.17Å; D529-T531 PolarHBondContact O-N 3.15Å; T531-S552 WeakPolarHBondContact O-CA 3.34Å; T531-C553 PolarHBondContact O-N 3.38Å
532	N	90.4	Very high	92.4	Very high	121 Å²	121	39.6 Å²	39.6	65%	0.647	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	14.7	178.6	67.8	-12.9	0	0	0	113.5	Y530 K534 W547 D551	Y530-N532 PolarHBondContact O-N 3.14Å; N532-K534 PolarHBondContact O-N 2.69Å; N532-W547 VanDerWaalsContact O-CH2 3.29Å; N532-W547 WeakPolarHBondContact O-CH2 3.05Å; N532-D551 WeakPolarHBondContact CB-O 3.49Å
533	C	91	Very high	92.3	Very high	13 Å²	13	39.4 Å²	39.4	9%	0.088	21%	0.208	C	C	.	.			trans	-87.3	91.1	173.2	-179.1	0	0	0	0	111.1	Y530 K535 S536 C537 C579	Y530-C533 WeakPolarHBondContact O-CB 3.39Å; Y530-C533 PolarHBondContact O-N 2.98Å; C533-K535 PolarHBondContact O-N 2.77Å; C533-S536 PolarHBondContact O-N 2.85Å; C533-S536 PolarHBondContact SG-N 2.74Å; C533-S536 VanDerWaalsContact SG-N 3.4Å; C533-S536 PolarHBondContact SG-OG 2.88Å; C533-C537 WeakPolarHBondContact O-CB 3.41Å; C533-C537 PolarHBondContact O-N 3.05Å; C533-C579 WeakPolarHBondContact CA-SG 3.43Å; C533-C579 HydrophobicContact CB-CB 3.8Å; C533-C579 WeakPolarHBondContact CB-SG 3.43Å; C533-C579 WeakPolarHBondContact SG-CB 3.46Å; C533-C579 CovalentContact SG-SG 2.03Å; C533-C579 PolarHBondContact SG-SG 3.25Å
534	K	90.6	Very high	92.3	Very high	58 Å²	58	38.2 Å²	38.2	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-50.4	-43.7	176.2	-174.5	170.4	-179.4	170.8	0	112.7	N532 C537 L538 W547 E565	N532-K534 PolarHBondContact O-N 2.69Å; K534-C537 WeakPolarHBondContact O-CB 3.26Å; K534-C537 PolarHBondContact O-N 3.36Å; K534-L538 HydrophobicContact CD-CD1 4.49Å; K534-L538 HydrophobicContact CG-CD1 3.93Å; K534-L538 HydrophobicContact CG-CG 4.42Å; K534-L538 WeakPolarHBondContact O-CG 3.04Å; K534-L538 PolarHBondContact O-N 3.39Å; K534-W547 HydrophobicContact CB-CD2 3.92Å; K534-W547 HydrophobicContact CB-CE3 4.13Å; K534-W547 HydrophobicContact CB-CH2 3.84Å; K534-W547 HydrophobicContact CB-CZ2 3.59Å; K534-W547 HydrophobicContact CB-CZ3 4.11Å; K534-W547 HydrophobicContact CD-CD2 4.37Å; K534-W547 HydrophobicContact CD-CG 4.36Å; K534-W547 HydrophobicContact CD-CZ2 4.34Å; K534-W547 HydrophobicContact CG-CD2 3.78Å; K534-W547 HydrophobicContact CG-CE3 4.38Å; K534-W547 HydrophobicContact CG-CG 3.97Å; K534-W547 HydrophobicContact CG-CZ2 4.13Å; K534-E565 VanDerWaalsContact CE-OE2 3.29Å; K534-E565 WeakPolarHBondContact CE-OE2 3.04Å; K534-E565 IonicContact NZ-OE1 3.9Å; K534-E565 PolarHBondContact NZ-OE1 3.22Å; K534-E565 IonicContact NZ-OE2 3.95Å; K534-E565 PolarHBondContact NZ-OE2 3.23Å
535	K	88.2	Confident	92.2	Very high	94 Å²	94	38.4 Å²	38.4	41%	0.409	20%	0.199	S	C	.	.	H	α-helix	trans	-57.7	-58.2	-179.1	-174.2	-179.4	178.3	-176	0	111.6	C533 C537 L538 S539	C533-K535 PolarHBondContact O-N 2.77Å; K535-C537 VanDerWaalsContact C-N 3.3Å; K535-C537 PolarHBondContact O-N 3.11Å; K535-L538 PolarHBondContact O-N 3.4Å; K535-S539 VanDerWaalsContact O-CB 3.27Å; K535-S539 WeakPolarHBondContact O-CB 3.05Å; K535-S539 PolarHBondContact O-N 3.2Å; K535-S539 PolarHBondContact O-OG 2.74Å; K535-S539 VanDerWaalsContact O-OG 3.09Å
536	S	90.4	Very high	92.2	Very high	51 Å²	51	38.1 Å²	38.1	36%	0.357	20%	0.197	S	C	.	.	H	α-helix	trans	-65	-33.4	-179.6	-57.7	0	0	0	0	112.7	C533 S540	C533-S536 PolarHBondContact O-N 2.85Å; C533-S536 PolarHBondContact SG-N 2.74Å; C533-S536 VanDerWaalsContact SG-N 3.4Å; C533-S536 PolarHBondContact SG-OG 2.88Å; S536-S540 WeakPolarHBondContact O-CB 3.28Å; S536-S540 PolarHBondContact O-N 3.46Å
537	C	92.9	Very high	92.1	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-51.9	172.9	-171.8	0	0	0	0	111.9	C533 K534 K535 S540 W547 C553	C533-C537 WeakPolarHBondContact O-CB 3.41Å; C533-C537 PolarHBondContact O-N 3.05Å; K534-C537 WeakPolarHBondContact O-CB 3.26Å; K534-C537 PolarHBondContact O-N 3.36Å; K535-C537 VanDerWaalsContact C-N 3.3Å; K535-C537 PolarHBondContact O-N 3.11Å; C537-S540 WeakPolarHBondContact O-CB 3.37Å; C537-S540 PolarHBondContact O-OG 3Å; C537-W547 HydrophobicContact CB-CE3 3.94Å; C537-C553 HydrophobicContact CB-CB 3.59Å; C537-C553 WeakPolarHBondContact CB-SG 3.42Å; C537-C553 WeakPolarHBondContact SG-CB 3.44Å; C537-C553 CovalentContact SG-SG 2.03Å; C537-C553 PolarHBondContact SG-SG 3.01Å
538	L	92	Very high	92	Very high	8 Å²	8	39 Å²	39	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-76.8	-37.8	-178.7	-61.4	177.3	0	0	0	112.5	K534 K535 S540 R541 W547 E565 Y572	K534-L538 HydrophobicContact CD-CD1 4.49Å; K534-L538 HydrophobicContact CG-CD1 3.93Å; K534-L538 HydrophobicContact CG-CG 4.42Å; K534-L538 WeakPolarHBondContact O-CG 3.04Å; K534-L538 PolarHBondContact O-N 3.39Å; K535-L538 PolarHBondContact O-N 3.4Å; L538-S540 PolarHBondContact O-N 2.99Å; L538-R541 PolarHBondContact O-N 2.93Å; L538-W547 HydrophobicContact CD2-CB 4.12Å; L538-E565 HydrophobicContact CD2-CB 4.41Å; L538-Y572 HydrophobicContact CB-CD2 4.44Å; L538-Y572 HydrophobicContact CB-CG 4.16Å; L538-Y572 HydrophobicContact CD1-CD2 3.57Å; L538-Y572 HydrophobicContact CD1-CE2 3.88Å; L538-Y572 HydrophobicContact CD1-CG 3.99Å
539	S	91.7	Very high	91.8	Very high	45 Å²	45	41.6 Å²	41.6	32%	0.315	21%	0.212	S	C	.	.	H	α-helix	trans	-66.5	-17.4	175.2	-63.8	0	0	0	0	113.6	I41 K535 R541	I41-S539 WeakPolarHBondContact CG2-O 3.44Å; K535-S539 VanDerWaalsContact O-CB 3.27Å; K535-S539 WeakPolarHBondContact O-CB 3.05Å; K535-S539 PolarHBondContact O-N 3.2Å; K535-S539 PolarHBondContact O-OG 2.74Å; K535-S539 VanDerWaalsContact O-OG 3.09Å; S539-R541 PolarHBondContact O-N 3.3Å
540	S	92.8	Very high	91.5	Very high	8 Å²	8	42 Å²	42	6%	0.056	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.8	173	75.9	0	0	0	0	113.5	Y530 S536 C537 L538 D542	Y530-S540 WeakPolarHBondContact OH-CB 3.23Å; S536-S540 WeakPolarHBondContact O-CB 3.28Å; S536-S540 PolarHBondContact O-N 3.46Å; C537-S540 WeakPolarHBondContact O-CB 3.37Å; C537-S540 PolarHBondContact O-OG 3Å; L538-S540 PolarHBondContact O-N 2.99Å; S540-D542 PolarHBondContact O-N 3Å; S540-D542 PolarHBondContact OG-N 2.77Å
541	R	92.9	Very high	91.4	Very high	47 Å²	47	45.6 Å²	45.6	18%	0.177	24%	0.242	C	C	.	.			trans	51	21.7	-174.2	-64.3	173.8	57	132.5	3.7	114	I41 L479 L538 S539 P543 V568 E569 N570	I41-R541 HydrophobicContact CD1-CB 4.05Å; I41-R541 HydrophobicContact CD1-CG 4.48Å; L479-R541 HydrophobicContact CD2-CB 4.23Å; L538-R541 PolarHBondContact O-N 2.93Å; S539-R541 PolarHBondContact O-N 3.3Å; R541-P543 WeakPolarHBondContact O-CD 3.26Å; R541-V568 VanDerWaalsContact CZ-O 3.23Å; R541-V568 PolarHBondContact NE-O 2.74Å; R541-V568 PolarHBondContact NH2-O 3.43Å; R541-E569 VanDerWaalsContact CZ-O 3.26Å; R541-E569 PolarHBondContact NH1-O 2.74Å; R541-E569 VanDerWaalsContact NH1-O 3.08Å; R541-E569 VanDerWaalsContact NH2-C 3.29Å; R541-E569 PolarHBondContact NH2-O 2.82Å; R541-N570 PolarHBondContact NH1-O 3.05Å; R541-N570 VanDerWaalsContact NH1-O 3.09Å
542	D	95	Very high	91.5	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	23%	0.229	C	C	.	.			trans	-78.1	117.2	-179	-174.8	3.6	0	0	0	110.9	K462 S525 S540 Y544 C545 Q566	K462-D542 WeakPolarHBondContact CE-OD1 3.46Å; K462-D542 IonicContact NZ-OD1 3.01Å; K462-D542 PolarHBondContact NZ-OD1 2.68Å; K462-D542 IonicContact NZ-OD2 2.8Å; K462-D542 PolarHBondContact NZ-OD2 2.92Å; S525-D542 WeakPolarHBondContact CB-OD2 3.07Å; S540-D542 PolarHBondContact O-N 3Å; S540-D542 PolarHBondContact OG-N 2.77Å; D542-Y544 PolarHBondContact O-N 2.82Å; D542-Y544 WeakPolarHBondContact OD1-CD2 3.31Å; D542-Y544 PolarHBondContact OD1-N 2.9Å; D542-C545 HydrophobicContact CB-CB 4.14Å; D542-C545 PolarHBondContact O-N 2.97Å; D542-C545 PolarHBondContact OD2-SG 2.95Å; D542-C545 VanDerWaalsContact OD2-SG 3.36Å; D542-Q566 PolarHBondContact O-NE2 3.21Å
543	P	93.9	Very high	91.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.1	178	-27.7	36.3	0	0	0	113.8	A442 G443 Y448 V450 L464 R541 C545 Q566 V568	A442-P543 HydrophobicContact CB-CB 4.12Å; G443-P543 WeakPolarHBondContact CA-O 3.31Å; Y448-P543 HydrophobicContact CD2-CB 3.77Å; Y448-P543 HydrophobicContact CD2-CG 4.16Å; Y448-P543 HydrophobicContact CG-CB 4.03Å; Y448-P543 HydrophobicContact CG-CG 3.97Å; V450-P543 HydrophobicContact CG2-CB 4.46Å; V450-P543 HydrophobicContact CG2-CG 3.87Å; L464-P543 HydrophobicContact CD1-CG 3.73Å; R541-P543 WeakPolarHBondContact O-CD 3.26Å; P543-C545 VanDerWaalsContact C-N 3.32Å; P543-Q566 PolarHBondContact O-NE2 2.94Å; P543-V568 HydrophobicContact CG-CG1 4.13Å
544	Y	95.4	Very high	91.8	Very high	13 Å²	13	38.4 Å²	38.4	5%	0.051	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.9	179.6	-62.1	-65.4	0	0	0	114.3	D439 A442 V450 F452 H509 L524 C527 D542 T555 V556	D439-Y544 WeakPolarHBondContact CB-OH 3.41Å; D439-Y544 PolarHBondContact OD2-OH 3.36Å; A442-Y544 HydrophobicContact CB-CD1 4.47Å; A442-Y544 HydrophobicContact CB-CE1 3.79Å; A442-Y544 HydrophobicContact CB-CE2 4.37Å; V450-Y544 HydrophobicContact CB-CE2 4.32Å; V450-Y544 HydrophobicContact CG1-CE2 4.24Å; V450-Y544 HydrophobicContact CG2-CE2 4.12Å; F452-Y544 HydrophobicContact CZ-CE2 4.19Å; H509-Y544 AromaticContact CE1-CD1 3.66Å; H509-Y544 AromaticContact CE1-CG 3.76Å; L524-Y544 HydrophobicContact CB-CD2 4.34Å; L524-Y544 HydrophobicContact CB-CE2 4.15Å; L524-Y544 HydrophobicContact CD1-CE1 4.45Å; C527-Y544 PolarHBondContact SG-O 3Å; D542-Y544 PolarHBondContact O-N 2.82Å; D542-Y544 WeakPolarHBondContact OD1-CD2 3.31Å; D542-Y544 PolarHBondContact OD1-N 2.9Å; Y544-T555 CarbonylContact O-C 3.47Å; Y544-T555 WeakPolarHBondContact O-CA 3.48Å; Y544-V556 WeakPolarHBondContact O-CG2 3.43Å; Y544-V556 PolarHBondContact O-N 2.83Å
545	C	94.8	Very high	91.9	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.034	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.1	-178.7	-61.4	0	0	0	0	112.5	C527 D542 P543 Q566	C527-C545 WeakPolarHBondContact CA-SG 3.27Å; C527-C545 HydrophobicContact CB-CB 3.76Å; C527-C545 WeakPolarHBondContact CB-SG 3.4Å; C527-C545 WeakPolarHBondContact SG-CA 3.16Å; C527-C545 WeakPolarHBondContact SG-CB 3.49Å; C527-C545 CovalentContact SG-SG 2.03Å; C527-C545 PolarHBondContact SG-SG 2.82Å; D542-C545 HydrophobicContact CB-CB 4.14Å; D542-C545 PolarHBondContact O-N 2.97Å; D542-C545 PolarHBondContact OD2-SG 2.95Å; D542-C545 VanDerWaalsContact OD2-SG 3.36Å; P543-C545 VanDerWaalsContact C-N 3.32Å; C545-Q566 PolarHBondContact O-NE2 3.4Å
546	I	93.4	Very high	91.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.8	176.5	52.5	168.7	0	0	0	110.6	P444 L548 V554 V556 F560 F564 Q566	P444-I546 HydrophobicContact CG-CG2 3.83Å; I546-L548 HydrophobicContact CD1-CD2 4Å; I546-L548 HydrophobicContact CG1-CD2 4.47Å; I546-V554 HydrophobicContact CD1-CG2 4.08Å; I546-V554 HydrophobicContact CG1-CG2 3.73Å; I546-V554 PolarHBondContact N-O 3.2Å; I546-V554 PolarHBondContact O-N 3.45Å; I546-V556 HydrophobicContact CB-CG2 4.31Å; I546-V556 HydrophobicContact CD1-CG2 4.18Å; I546-V556 HydrophobicContact CG1-CG2 3.96Å; I546-V556 HydrophobicContact CG2-CG2 3.53Å; I546-F560 HydrophobicContact CD1-CD1 4.02Å; I546-F560 HydrophobicContact CD1-CE1 3.96Å; I546-F560 HydrophobicContact CD1-CG 4.47Å; I546-F560 HydrophobicContact CD1-CZ 4.37Å; I546-F564 HydrophobicContact CB-CB 4.06Å; I546-F564 HydrophobicContact CB-CD2 4.06Å; I546-F564 HydrophobicContact CB-CG 4.24Å; I546-F564 HydrophobicContact CD1-CB 4.11Å; I546-F564 HydrophobicContact CD1-CG 4.34Å; I546-F564 HydrophobicContact CG2-CB 4.39Å; I546-F564 HydrophobicContact CG2-CD2 3.51Å; I546-F564 HydrophobicContact CG2-CE2 3.96Å; I546-F564 HydrophobicContact CG2-CG 4.02Å; I546-Q566 HydrophobicContact CG2-CB 4.21Å
547	W	93.4	Very high	91.5	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131	169.9	-177.5	-100.7	0	0	0	110.3	N532 K534 C537 L538 D551 S552 C553 F564 E565	N532-W547 VanDerWaalsContact O-CH2 3.29Å; N532-W547 WeakPolarHBondContact O-CH2 3.05Å; K534-W547 HydrophobicContact CB-CD2 3.92Å; K534-W547 HydrophobicContact CB-CE3 4.13Å; K534-W547 HydrophobicContact CB-CH2 3.84Å; K534-W547 HydrophobicContact CB-CZ2 3.59Å; K534-W547 HydrophobicContact CB-CZ3 4.11Å; K534-W547 HydrophobicContact CD-CD2 4.37Å; K534-W547 HydrophobicContact CD-CG 4.36Å; K534-W547 HydrophobicContact CD-CZ2 4.34Å; K534-W547 HydrophobicContact CG-CD2 3.78Å; K534-W547 HydrophobicContact CG-CE3 4.38Å; K534-W547 HydrophobicContact CG-CG 3.97Å; K534-W547 HydrophobicContact CG-CZ2 4.13Å; C537-W547 HydrophobicContact CB-CE3 3.94Å; L538-W547 HydrophobicContact CD2-CB 4.12Å; W547-D551 HydrophobicContact CH2-CB 4.27Å; W547-D551 WeakPolarHBondContact CH2-O 3.26Å; W547-D551 VanDerWaalsContact CZ2-C 3.43Å; W547-D551 HydrophobicContact CZ2-CB 3.84Å; W547-S552 VanDerWaalsContact CE3-C 3.46Å; W547-S552 VanDerWaalsContact CZ3-C 3.48Å; W547-C553 HydrophobicContact CE3-CB 4.02Å; W547-C553 HydrophobicContact CZ3-CB 4.22Å; W547-F564 CarbonylContact O-C 3.54Å; W547-F564 WeakPolarHBondContact O-CA 3.46Å; W547-E565 HydrophobicContact CB-CB 4.23Å; W547-E565 PolarHBondContact N-O 2.96Å; W547-E565 PolarHBondContact O-N 3.36Å
548	L	91.8	Very high	90.6	Very high	29 Å²	29	39.9 Å²	39.9	15%	0.152	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	153.9	177.6	-62	-171.3	0	0	0	112.1	I546 S550 D551 S552 V554 F560 F564	I546-L548 HydrophobicContact CD1-CD2 4Å; I546-L548 HydrophobicContact CG1-CD2 4.47Å; L548-S550 VanDerWaalsContact CB-OG 3.29Å; L548-S550 WeakPolarHBondContact CB-OG 3.32Å; L548-S550 PolarHBondContact O-N 2.85Å; L548-D551 PolarHBondContact O-N 2.82Å; L548-D551 VanDerWaalsContact O-N 3.11Å; L548-S552 PolarHBondContact N-O 2.96Å; L548-V554 HydrophobicContact CD1-CG1 3.95Å; L548-V554 HydrophobicContact CD1-CG2 3.76Å; L548-V554 HydrophobicContact CD2-CG2 4.13Å; L548-V554 HydrophobicContact CG-CG1 4.37Å; L548-V554 HydrophobicContact CG-CG2 3.76Å; L548-F560 HydrophobicContact CD2-CE1 4.13Å; L548-F560 HydrophobicContact CD2-CE2 4.35Å; L548-F560 HydrophobicContact CD2-CZ 3.56Å; L548-F564 HydrophobicContact CD2-CB 4.32Å
549	K	86.1	Confident	89.5	Confident	175 Å²	175	42.7 Å²	42.7	76%	0.761	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	0.2	168.9	-61.3	-171.1	176.8	-171.1	0	114.7	D551	K549-D551 VanDerWaalsContact C-N 3.26Å
550	S	85.1	Confident	88.8	Confident	80 Å²	80	44 Å²	44	56%	0.559	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	19.6	170.3	54.2	0	0	0	0	112.5	L548 S552	L548-S550 VanDerWaalsContact CB-OG 3.29Å; L548-S550 WeakPolarHBondContact CB-OG 3.32Å; L548-S550 PolarHBondContact O-N 2.85Å; S550-S552 VanDerWaalsContact C-N 3.32Å; S550-S552 PolarHBondContact O-N 2.83Å; S550-S552 PolarHBondContact OG-OG 2.81Å
551	D	88.1	Confident	88	Confident	110 Å²	110	53.1 Å²	53.1	59%	0.588	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	49	-174.6	-63.2	-41.7	0	0	0	114.5	N532 W547 L548 K549	N532-D551 WeakPolarHBondContact CB-O 3.49Å; W547-D551 HydrophobicContact CH2-CB 4.27Å; W547-D551 WeakPolarHBondContact CH2-O 3.26Å; W547-D551 VanDerWaalsContact CZ2-C 3.43Å; W547-D551 HydrophobicContact CZ2-CB 3.84Å; L548-D551 PolarHBondContact O-N 2.82Å; L548-D551 VanDerWaalsContact O-N 3.11Å; K549-D551 VanDerWaalsContact C-N 3.26Å
552	S	92.1	Very high	87.3	Confident	34 Å²	34	52.7 Å²	52.7	24%	0.238	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141.8	179.9	57.7	0	0	0	0	113	T531 W547 L548 S550	T531-S552 WeakPolarHBondContact O-CA 3.34Å; W547-S552 VanDerWaalsContact CE3-C 3.46Å; W547-S552 VanDerWaalsContact CZ3-C 3.48Å; L548-S552 PolarHBondContact N-O 2.96Å; S550-S552 VanDerWaalsContact C-N 3.32Å; S550-S552 PolarHBondContact O-N 2.83Å; S550-S552 PolarHBondContact OG-OG 2.81Å
553	C	94.1	Very high	86.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.1	170	-162.3	0	0	0	0	109.9	C527 T531 C537 W547	C527-C553 VanDerWaalsContact O-CB 3.31Å; C527-C553 WeakPolarHBondContact O-CB 3.38Å; C527-C553 PolarHBondContact O-SG 2.78Å; C527-C553 VanDerWaalsContact O-SG 3.39Å; T531-C553 PolarHBondContact O-N 3.38Å; C537-C553 HydrophobicContact CB-CB 3.59Å; C537-C553 WeakPolarHBondContact CB-SG 3.42Å; C537-C553 WeakPolarHBondContact SG-CB 3.44Å; C537-C553 CovalentContact SG-SG 2.03Å; C537-C553 PolarHBondContact SG-SG 3.01Å; W547-C553 HydrophobicContact CE3-CB 4.02Å; W547-C553 HydrophobicContact CZ3-CB 4.22Å
554	V	93.6	Very high	86.7	Confident	30 Å²	30	57.1 Å²	57.1	18%	0.182	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.2	-178.1	-53.4	0	0	0	0	112	C527 I546 L548	C527-V554 VanDerWaalsContact CB-C 3.43Å; I546-V554 HydrophobicContact CD1-CG2 4.08Å; I546-V554 HydrophobicContact CG1-CG2 3.73Å; I546-V554 PolarHBondContact N-O 3.2Å; I546-V554 PolarHBondContact O-N 3.45Å; L548-V554 HydrophobicContact CD1-CG1 3.95Å; L548-V554 HydrophobicContact CD1-CG2 3.76Å; L548-V554 HydrophobicContact CD2-CG2 4.13Å; L548-V554 HydrophobicContact CG-CG1 4.37Å; L548-V554 HydrophobicContact CG-CG2 3.76Å
555	T	93.3	Very high	86.5	Confident	32 Å²	32	60.2 Å²	60.2	20%	0.196	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138	167.8	-57.8	0	0	0	0	110.7	H509 S525 Y544 S557	H509-T555 VanDerWaalsContact CE1-CG2 3.46Å; H509-T555 WeakPolarHBondContact CE1-CG2 3.5Å; H509-T555 VanDerWaalsContact NE2-CG2 3.31Å; H509-T555 WeakPolarHBondContact NE2-CG2 3.27Å; S525-T555 PolarHBondContact OG-OG1 3.36Å; Y544-T555 CarbonylContact O-C 3.47Å; Y544-T555 WeakPolarHBondContact O-CA 3.48Å; T555-S557 PolarHBondContact O-N 3.4Å
556	V	88.3	Confident	86.3	Confident	26 Å²	26	62 Å²	62	16%	0.158	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-60.2	119.7	173.8	176	0	0	0	0	110.6	P444 Y544 I546	P444-V556 HydrophobicContact CB-CG1 4.39Å; P444-V556 HydrophobicContact CG-CG1 4.13Å; P444-V556 HydrophobicContact CG-CG2 3.75Å; Y544-V556 WeakPolarHBondContact O-CG2 3.43Å; Y544-V556 PolarHBondContact O-N 2.83Å; I546-V556 HydrophobicContact CB-CG2 4.31Å; I546-V556 HydrophobicContact CD1-CG2 4.18Å; I546-V556 HydrophobicContact CG1-CG2 3.96Å; I546-V556 HydrophobicContact CG2-CG2 3.53Å
557	S	80.7	Confident	86	Confident	59 Å²	59	63.8 Å²	63.8	41%	0.413	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-87.9	145.3	173.2	56.5	0	0	0	0	112.2	T555 G559 F560	T555-S557 PolarHBondContact O-N 3.4Å; S557-G559 PolarHBondContact O-N 2.81Å; S557-F560 WeakPolarHBondContact O-CB 3.23Å; S557-F560 PolarHBondContact O-N 3.45Å; S557-F560 VanDerWaalsContact O-N 3.17Å
558	P	73.4	Confident	85.7	Confident	121 Å²	121	63.6 Å²	63.6	79%	0.786	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	122.8	177.4	-26.8	35.5	0	0	0	112.3
559	G	69.5	Low	85.1	Confident	68 Å²	68	66.9 Å²	66.9	70%	0.701	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	19	178.8	0	0	0	0	0	115.2	S557 K561	S557-G559 PolarHBondContact O-N 2.81Å; G559-K561 PolarHBondContact O-N 3.26Å
560	F	76.9	Confident	84.3	Confident	71 Å²	71	64.2 Å²	64.2	31%	0.311	38%	0.382	S	S	.	.			trans	-54.6	132.5	173	-170.6	-101.6	0	0	0	112.2	I546 L548 S557 G562 F564	I546-F560 HydrophobicContact CD1-CD1 4.02Å; I546-F560 HydrophobicContact CD1-CE1 3.96Å; I546-F560 HydrophobicContact CD1-CG 4.47Å; I546-F560 HydrophobicContact CD1-CZ 4.37Å; L548-F560 HydrophobicContact CD2-CE1 4.13Å; L548-F560 HydrophobicContact CD2-CE2 4.35Å; L548-F560 HydrophobicContact CD2-CZ 3.56Å; S557-F560 WeakPolarHBondContact O-CB 3.23Å; S557-F560 PolarHBondContact O-N 3.45Å; S557-F560 VanDerWaalsContact O-N 3.17Å; F560-G562 VanDerWaalsContact CE1-CA 3.47Å; F560-G562 VanDerWaalsContact CE1-O 3.31Å; F560-G562 WeakPolarHBondContact CE1-O 3.47Å; F560-F564 HydrophobicContact CD1-CD1 4.02Å; F560-F564 HydrophobicContact CE1-CB 4.2Å; F560-F564 AromaticContact CE1-CD1 3.94Å; F560-F564 HydrophobicContact CE1-CD1 3.94Å; F560-F564 HydrophobicContact CE1-CG 4.49Å
561	K	75.9	Confident	83.2	Confident	201 Å²	201	60.9 Å²	60.9	87%	0.874	36%	0.36	S	S	*	.			trans	-125.5	8	-179.4	-66.3	-178.9	-176.3	179.4	0	113.8	G559	G559-K561 PolarHBondContact O-N 3.26Å
562	G	79.2	Confident	81.8	Confident	37 Å²	37	59.5 Å²	59.5	38%	0.381	35%	0.347	S	S	.	.	S	Bend	trans	-73.3	161.4	175.3	0	0	0	0	0	111.7	F560	F560-G562 VanDerWaalsContact CE1-CA 3.47Å; F560-G562 VanDerWaalsContact CE1-O 3.31Å; F560-G562 WeakPolarHBondContact CE1-O 3.47Å
563	G	85.7	Confident	80.1	Confident	52 Å²	52	65.8 Å²	65.8	54%	0.536	37%	0.373	S	S	.	.			trans	-74.8	123.4	166.8	0	0	0	0	0	110.2
564	F	90.9	Very high	78.2	Confident	46 Å²	46	72.1 Å²	72.1	20%	0.202	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	165.5	178.7	64.6	-90.5	0	0	0	110.9	P444 Y445 I546 W547 L548 F560 Q566	P444-F564 HydrophobicContact CB-CE1 3.99Å; P444-F564 HydrophobicContact CB-CE2 4.24Å; P444-F564 HydrophobicContact CB-CZ 3.54Å; P444-F564 HydrophobicContact CG-CE1 4.26Å; P444-F564 HydrophobicContact CG-CE2 3.76Å; P444-F564 HydrophobicContact CG-CZ 3.59Å; Y445-F564 HydrophobicContact CE2-CE2 4.47Å; Y445-F564 AromaticContact CE2-CZ 3.84Å; Y445-F564 HydrophobicContact CE2-CZ 3.84Å; Y445-F564 AromaticContact CZ-CZ 3.8Å; I546-F564 HydrophobicContact CB-CB 4.06Å; I546-F564 HydrophobicContact CB-CD2 4.06Å; I546-F564 HydrophobicContact CB-CG 4.24Å; I546-F564 HydrophobicContact CD1-CB 4.11Å; I546-F564 HydrophobicContact CD1-CG 4.34Å; I546-F564 HydrophobicContact CG2-CB 4.39Å; I546-F564 HydrophobicContact CG2-CD2 3.51Å; I546-F564 HydrophobicContact CG2-CE2 3.96Å; I546-F564 HydrophobicContact CG2-CG 4.02Å; W547-F564 CarbonylContact O-C 3.54Å; W547-F564 WeakPolarHBondContact O-CA 3.46Å; L548-F564 HydrophobicContact CD2-CB 4.32Å; F560-F564 HydrophobicContact CD1-CD1 4.02Å; F560-F564 HydrophobicContact CE1-CB 4.2Å; F560-F564 AromaticContact CE1-CD1 3.94Å; F560-F564 HydrophobicContact CE1-CD1 3.94Å; F560-F564 HydrophobicContact CE1-CG 4.49Å; F564-Q566 HydrophobicContact CD2-CB 4.03Å; F564-Q566 HydrophobicContact CE2-CB 3.99Å
565	E	90.5	Very high	76.2	Confident	78 Å²	78	78.1 Å²	78.1	36%	0.364	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.2	168.4	-63.8	175.8	-106.6	0	0	109.4	K534 L538 W547	K534-E565 VanDerWaalsContact CE-OE2 3.29Å; K534-E565 WeakPolarHBondContact CE-OE2 3.04Å; K534-E565 IonicContact NZ-OE1 3.9Å; K534-E565 PolarHBondContact NZ-OE1 3.22Å; K534-E565 IonicContact NZ-OE2 3.95Å; K534-E565 PolarHBondContact NZ-OE2 3.23Å; L538-E565 HydrophobicContact CD2-CB 4.41Å; W547-E565 HydrophobicContact CB-CB 4.23Å; W547-E565 PolarHBondContact N-O 2.96Å; W547-E565 PolarHBondContact O-N 3.36Å
566	Q	90.1	Very high	74.2	Confident	44 Å²	44	81.8 Å²	81.8	21%	0.206	45%	0.452	C	S	.	.			trans	-155.8	139.1	178.6	177.3	173	69.6	0	0	108.5	P444 D542 P543 C545 I546 F564 V568	P444-Q566 VanDerWaalsContact CD-OE1 3.27Å; D542-Q566 PolarHBondContact O-NE2 3.21Å; P543-Q566 PolarHBondContact O-NE2 2.94Å; C545-Q566 PolarHBondContact O-NE2 3.4Å; I546-Q566 HydrophobicContact CG2-CB 4.21Å; F564-Q566 HydrophobicContact CD2-CB 4.03Å; F564-Q566 HydrophobicContact CE2-CB 3.99Å; Q566-V568 HydrophobicContact CG-CG2 3.71Å
567	D	86.6	Confident	72.5	Confident	37 Å²	37	86.2 Å²	86.2	20%	0.198	48%	0.475	C	S	.	.			trans	-136.9	111.2	172.6	-176.7	-1.8	0	0	0	108.6	E569 N570 G571 Y572	D567-E569 PolarHBondContact OD1-N 3.38Å; D567-N570 PolarHBondContact OD1-N 2.93Å; D567-G571 PolarHBondContact OD1-N 3.42Å; D567-G571 VanDerWaalsContact OD2-CA 3.26Å; D567-G571 WeakPolarHBondContact OD2-CA 3.01Å; D567-G571 PolarHBondContact OD2-N 2.04Å; D567-Y572 PolarHBondContact OD2-N 2.84Å
568	V	86.9	Confident	71.6	Confident	3 Å²	3	88.6 Å²	88.6	2%	0.018	49%	0.487	C	S	.	.	S	Bend	trans	-114.1	-21.1	-175.7	169.8	0	0	0	0	111.1	Y448 L464 R541 P543 Q566	Y448-V568 HydrophobicContact CD1-CG1 3.8Å; Y448-V568 HydrophobicContact CE1-CB 4.01Å; Y448-V568 HydrophobicContact CE1-CG1 3.45Å; Y448-V568 VanDerWaalsContact CE1-CG1 3.45Å; Y448-V568 HydrophobicContact CE2-CB 4.31Å; Y448-V568 HydrophobicContact CE2-CG1 4.25Å; Y448-V568 HydrophobicContact CE2-CG2 4.3Å; Y448-V568 HydrophobicContact CG-CG1 4.34Å; L464-V568 HydrophobicContact CD1-CG1 4.21Å; L464-V568 HydrophobicContact CD2-CG1 3.52Å; R541-V568 VanDerWaalsContact CZ-O 3.23Å; R541-V568 PolarHBondContact NE-O 2.74Å; R541-V568 PolarHBondContact NH2-O 3.43Å; P543-V568 HydrophobicContact CG-CG1 4.13Å; Q566-V568 HydrophobicContact CG-CG2 3.71Å
569	E	79.8	Confident	71.3	Confident	97 Å²	97	85.1 Å²	85.1	45%	0.453	47%	0.465	S	S	.	.	S	Bend	trans	-99	-47.2	-170.6	-64.6	176.4	168.2	0	0	111.9	Y448 R541 D567	Y448-E569 HydrophobicContact CE1-CG 4.4Å; R541-E569 VanDerWaalsContact CZ-O 3.26Å; R541-E569 PolarHBondContact NH1-O 2.74Å; R541-E569 VanDerWaalsContact NH1-O 3.08Å; R541-E569 VanDerWaalsContact NH2-C 3.29Å; R541-E569 PolarHBondContact NH2-O 2.82Å; D567-E569 PolarHBondContact OD1-N 3.38Å
570	N	70.1	Confident	70.6	Confident	119 Å²	119	89.7 Å²	89.7	64%	0.636	47%	0.468	S	S	*	.	S	Bend	trans	-102	-39.5	-171.9	-67.7	-78	0	0	0	111.9	R541 D567	R541-N570 PolarHBondContact NH1-O 3.05Å; R541-N570 VanDerWaalsContact NH1-O 3.09Å; D567-N570 PolarHBondContact OD1-N 2.93Å
571	G	61.5	Low	69	Low	10 Å²	10	92.6 Å²	92.6	10%	0.103	49%	0.487	C	S	.	.			trans	87	138.5	-176.4	0	0	0	0	0	112.4	D567 H573	D567-G571 PolarHBondContact OD1-N 3.42Å; D567-G571 VanDerWaalsContact OD2-CA 3.26Å; D567-G571 WeakPolarHBondContact OD2-CA 3.01Å; D567-G571 PolarHBondContact OD2-N 2.04Å; G571-H573 PolarHBondContact O-CD2 3.38Å; G571-H573 PolarHBondContact O-N 2.97Å
572	Y	58.1	Low	67.4	Low	81 Å²	81	87.9 Å²	87.9	32%	0.318	47%	0.474	S	S	.	.			trans	-70.1	92.6	-166.7	-171.1	-101.2	0	0	0	113.8	L538 D567 Q574	L538-Y572 HydrophobicContact CB-CD2 4.44Å; L538-Y572 HydrophobicContact CB-CG 4.16Å; L538-Y572 HydrophobicContact CD1-CD2 3.57Å; L538-Y572 HydrophobicContact CD1-CE2 3.88Å; L538-Y572 HydrophobicContact CD1-CG 3.99Å; D567-Y572 PolarHBondContact OD2-N 2.84Å; Y572-Q574 WeakPolarHBondContact CE1-O 3.41Å; Y572-Q574 PolarHBondContact O-N 3.02Å
573	H	57.9	Low	65.8	Low	167 Å²	167	92.8 Å²	92.8	77%	0.773	49%	0.491	S	S	*	.			trans	-96.4	54.8	-178.2	-77.9	-73.4	0	0	0	113.5	G571	G571-H573 PolarHBondContact O-CD2 3.38Å; G571-H573 PolarHBondContact O-N 2.97Å
574	Q	54.2	Low	63.8	Low	136 Å²	136	94 Å²	94	64%	0.636	50%	0.496	S	S	*	.			trans	-149.9	127.4	173.3	-125.5	151.5	81.6	0	0	116.8	Y572	Y572-Q574 WeakPolarHBondContact CE1-O 3.41Å; Y572-Q574 PolarHBondContact O-N 3.02Å
575	H	49.9	Very low	61.1	Low	156 Å²	156	97.6 Å²	97.6	72%	0.722	52%	0.522	S	S	*	.			trans	61.4	149.3	169.1	-71.3	-20.8	0	0	0	120.1	D577	H575-D577 VanDerWaalsContact C-N 3.31Å; H575-D577 PolarHBondContact O-N 2.82Å; H575-D577 VanDerWaalsContact O-N 3.15Å
576	P	51.7	Low	58.8	Low	108 Å²	108	98 Å²	98	70%	0.701	53%	0.53	S	S	*	.			trans	-90.3	52.7	-170.2	39.3	-38	0	0	0	112.7	T578	P576-T578 PolarHBondContact O-N 2.64Å
577	D	53	Low	56.2	Low	120 Å²	120	107.4 Å²	107.4	64%	0.642	56%	0.563	S	S	*	*			trans	-67.5	100.2	167.2	-74.1	-31.1	0	0	0	108.8	H575 C579	H575-D577 VanDerWaalsContact C-N 3.31Å; H575-D577 PolarHBondContact O-N 2.82Å; H575-D577 VanDerWaalsContact O-N 3.15Å; D577-C579 PolarHBondContact O-N 2.79Å; D577-C579 VanDerWaalsContact O-N 3.13Å
578	T	61.2	Low	53.6	Low	109 Å²	109	116.1 Å²	116.1	67%	0.669	59%	0.594	S	S	*	*			trans	-75.9	95.3	173.2	49.4	0	0	0	0	109.1	P576 H580	P576-T578 PolarHBondContact O-N 2.64Å; T578-H580 PolarHBondContact O-N 2.98Å
579	C	68	Low	50.8	Low	47 Å²	47	125 Å²	125	32%	0.318	64%	0.635	S	S	.	*			trans	-53.1	123.6	155.8	-56.9	0	0	0	0	108	C533 D577 D581	C533-C579 WeakPolarHBondContact CA-SG 3.43Å; C533-C579 HydrophobicContact CB-CB 3.8Å; C533-C579 WeakPolarHBondContact CB-SG 3.43Å; C533-C579 WeakPolarHBondContact SG-CB 3.46Å; C533-C579 CovalentContact SG-SG 2.03Å; C533-C579 PolarHBondContact SG-SG 3.25Å; D577-C579 PolarHBondContact O-N 2.79Å; D577-C579 VanDerWaalsContact O-N 3.13Å; C579-D581 PolarHBondContact O-N 3.12Å
580	H	54.9	Low	48.5	Very low	164 Å²	164	126.6 Å²	126.6	76%	0.759	65%	0.646	S	S	*	*			trans	-67.5	133	171.9	-70.7	-69.8	0	0	0	109.3	T578 V582	T578-H580 PolarHBondContact O-N 2.98Å; H580-V582 VanDerWaalsContact C-N 3.25Å; H580-V582 PolarHBondContact O-N 3.36Å
581	D	41.8	Very low	46.8	Very low	133 Å²	133	127.4 Å²	127.4	71%	0.711	66%	0.658	S	S	*	*			trans	-71.5	72.8	-176.5	-83.1	-50.5	0	0	0	113.4	C579 L583 A584	C579-D581 PolarHBondContact O-N 3.12Å; D581-L583 PolarHBondContact O-N 2.88Å; D581-A584 HydrophobicContact CB-CB 4.31Å; D581-A584 PolarHBondContact O-N 3.49Å
582	V	43.8	Very low	45.5	Very low	101 Å²	101	131 Å²	131	61%	0.612	69%	0.686	S	S	*	*	H	α-helix	trans	-66	-18.9	173.6	175	0	0	0	0	111.9	H580 T586	H580-V582 VanDerWaalsContact C-N 3.25Å; H580-V582 PolarHBondContact O-N 3.36Å; V582-T586 VanDerWaalsContact CA-OG1 3.29Å; V582-T586 WeakPolarHBondContact CA-OG1 3.39Å; V582-T586 PolarHBondContact O-OG1 2.84Å
583	L	45.5	Very low	44.6	Very low	140 Å²	140	135 Å²	135	73%	0.733	71%	0.712	S	S	*	*	H	α-helix	trans	-87.3	-6.8	-178.3	-81.3	165.9	0	0	0	115.3	D581	D581-L583 PolarHBondContact O-N 2.88Å
584	A	42.4	Very low	43.3	Very low	78 Å²	78	134.2 Å²	134.2	65%	0.645	71%	0.714	S	S	*	*	H	α-helix	trans	-97.6	-27.9	-178.1	0	0	0	0	0	114.7	D581	D581-A584 HydrophobicContact CB-CB 4.31Å; D581-A584 PolarHBondContact O-N 3.49Å
585	T	35.3	Very low	42.3	Very low	121 Å²	121	134.1 Å²	134.1	74%	0.742	73%	0.728	S	S	*	*	H	α-helix	trans	-142.8	-24.2	-172.4	55.7	0	0	0	0	116.4	R587	T585-R587 PolarHBondContact O-N 2.75Å
586	T	41.7	Very low	41.5	Very low	86 Å²	86	130.2 Å²	130.2	53%	0.528	72%	0.723	S	S	.	*			trans	-95.6	61	-162	41.4	0	0	0	0	115.7	V582	V582-T586 VanDerWaalsContact CA-OG1 3.29Å; V582-T586 WeakPolarHBondContact CA-OG1 3.39Å; V582-T586 PolarHBondContact O-OG1 2.84Å
587	R	34.8	Very low	40.6	Very low	242 Å²	242	135.1 Å²	135.1	91%	0.913	73%	0.734	S	S	*	*	S	Bend	trans	-153	38.9	162.8	-129.6	178.7	-165.3	-168.5	5.4	119.8	T585	T585-R587 PolarHBondContact O-N 2.75Å
588	R	32.8	Very low	39.4	Very low	221 Å²	221	133.2 Å²	133.2	83%	0.834	74%	0.742	S	S	*	*			trans	-145.2	94.9	148.4	-73.8	-158.1	-166.9	-141.1	3.8	113.1
589	H	29.2	Very low	37.8	Very low	190 Å²	190	138.1 Å²	138.1	88%	0.88	75%	0.754	S	S	*	*			trans	-127.7	125	140.4	-99.5	41.9	0	0	0	106.5	P591	H589-P591 VanDerWaalsContact O-CD 3.32Å; H589-P591 WeakPolarHBondContact O-CD 3.48Å
590	N	30.1	Very low	36	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	78%	0.776	S	S	*	*			trans	-94.3	107.9	173.7	-74.9	-1.7	0	0	0	107.7	A592	N590-A592 PolarHBondContact O-N 3.23Å
591	P	35	Very low	34.8	Very low	137 Å²	137	140 Å²	140	89%	0.89	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	56	175.1	34.9	-36.5	0	0	0	110.4	H589	H589-P591 VanDerWaalsContact O-CD 3.32Å; H589-P591 WeakPolarHBondContact O-CD 3.48Å
592	A	34.6	Very low	34.5	Very low	84 Å²	84	139.6 Å²	139.6	69%	0.694	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.5	18.4	-170.1	0	0	0	0	0	113.5	N590	N590-A592 PolarHBondContact O-N 3.23Å
593	L	38.7	Very low	33.8	Very low	166 Å²	166	140.5 Å²	140.5	87%	0.869	79%	0.787	S	S	*	*	S	Bend	trans	-160.6	41.6	174.3	-120.1	167.5	0	0	0	113.8
594	D	31	Very low	33	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	79%	0.79	S	S	*	*			trans	-150.8	99.8	163	-145.2	-9.9	0	0	0	111.6
595	S	33.2	Very low	32.4	Very low	134 Å²	134	140.6 Å²	140.6	94%	0.937	80%	0.801	S	S	*	*			trans	-164.7	52.2	176.7	-77.9	0	0	0	0	110.7
596	A	33.5	Very low	32.1	Very low	74 Å²	74	139.9 Å²	139.9	61%	0.612	80%	0.801	S	S	*	*			trans	-120	144.2	166	0	0	0	0	0	109.2
597	F	31.5	Very low	31.5	Very low	211 Å²	211	141.8 Å²	141.8	93%	0.925	81%	0.812	S	S	*	*	S	Bend	trans	59.7	65.1	177.3	-65.9	-80.7	0	0	0	117.2
598	G	28	Very low	31.3	Very low	80 Å²	80	135 Å²	135	83%	0.825	80%	0.798	S	S	*	*				78.2	126.2	103.2	0	0	0	0	0	118.8
599	K	27.3	Very low	31.1	Very low	212 Å²	212	131.8 Å²	131.8	92%	0.922	79%	0.792	S	S	*	*			trans	-139.8	145.6	157.2	-143.7	165.8	-170.8	172	0	110.8
600	T	30.3	Very low	31.2	Very low	126 Å²	126	131.1 Å²	131.1	77%	0.773	79%	0.789	S	S	*	*			trans	-71.5	154.4	-173.4	48.6	0	0	0	0	113
601	T	29.9	Very low	31.1	Very low	126 Å²	126	127.9 Å²	127.9	77%	0.773	79%	0.787	S	S	*	*			trans	-53.8	148.1	163.8	28.4	0	0	0	0	112.3
602	P	35	Very low	31	Very low	124 Å²	124	126.6 Å²	126.6	81%	0.805	79%	0.787	S	S	*	*				-120	172.2	122.5	35.5	-32.7	0	0	0	112.1
603	T	29.9	Very low	30.8	Very low	120 Å²	120	127.5 Å²	127.5	74%	0.736	80%	0.795	S	S	*	*			trans	-120.2	138.4	-158.4	-61.1	0	0	0	0	112.6
604	S	30	Very low	30.4	Very low	114 Å²	114	127.9 Å²	127.9	80%	0.797	79%	0.79	S	S	*	*			trans	58.2	126.7	160.2	-65.8	0	0	0	0	120.9
605	A	29.1	Very low	31.2	Very low	106 Å²	106	126.9 Å²	126.9	88%	0.876	79%	0.792	S	S	*	*				-161.7	147.7	112.8	0	0	0	0	0	112.1
606	S	28.2	Very low	31.2	Very low	105 Å²	105	128.9 Å²	128.9	73%	0.734	78%	0.783	S	S	*	*			trans	-86.9	154.2	-178.4	179.7	0	0	0	0	112.7
607	T	29.3	Very low	31	Very low	126 Å²	126	134.4 Å²	134.4	77%	0.773	80%	0.797	S	S	*	*				-172.6	116.5	116.2	29.6	0	0	0	0	115.3
608	T	30.5	Very low	31	Very low	101 Å²	101	129.3 Å²	129.3	62%	0.62	79%	0.793	S	S	*	*			trans	54.3	123.6	134.8	59.9	0	0	0	0	124.4
609	H	29.8	Very low	31.1	Very low	153 Å²	153	129 Å²	129	71%	0.708	79%	0.79	S	S	*	*				44.4	142.9	129.1	-51.9	-67	0	0	0	121.3
610	H	31.3	Very low	31.2	Very low	175 Å²	175	126 Å²	126	81%	0.81	78%	0.784	S	S	*	*			cis	-170	175.4	-6.2	-107.8	-27.4	0	0	0	108.8
611	G	27.1	Very low	31.3	Very low	62 Å²	62	124.6 Å²	124.6	64%	0.639	78%	0.78	S	S	*	*			cis	153.2	160.7	-5.8	0	0	0	0	0	114.5
612	A	32.6	Very low	31.5	Very low	109 Å²	109	125 Å²	125	90%	0.901	77%	0.773	S	S	*	*			trans	69.9	112.3	158.4	0	0	0	0	0	122.6
613	A	30.7	Very low	31.3	Very low	103 Å²	103	129.1 Å²	129.1	85%	0.851	77%	0.772	S	S	*	*			trans	-157	139.4	134.3	0	0	0	0	0	110.3
614	F	30.1	Very low	31.2	Very low	175 Å²	175	126.5 Å²	126.5	77%	0.768	77%	0.77	S	S	*	*			trans	-133.5	156.7	176.4	-102.8	-67.1	0	0	0	108.2	K616	F614-K616 HydrophobicContact CD1-CG 4.19Å; F614-K616 HydrophobicContact CE1-CG 4.12Å
615	P	48.9	Very low	31.4	Very low	129 Å²	129	128.4 Å²	128.4	84%	0.838	78%	0.776	S	S	*	*				-136.1	177.2	90.5	16.4	6.6	0	0	0	115
616	K	32.4	Very low	31.4	Very low	175 Å²	175	126.5 Å²	126.5	76%	0.761	77%	0.767	S	S	*	*			trans	-130.5	155.1	171.3	-63.2	179.1	178.1	-179.1	0	110.3	F614	F614-K616 HydrophobicContact CD1-CG 4.19Å; F614-K616 HydrophobicContact CE1-CG 4.12Å
617	E	28.5	Very low	32.5	Very low	191 Å²	191	126.9 Å²	126.9	89%	0.893	77%	0.767	S	S	*	*			trans	-135.3	136.3	143.8	-63.3	-175.8	123.7	0	0	105.5
618	A	32.5	Very low	32.6	Very low	104 Å²	104	127.8 Å²	127.8	86%	0.86	77%	0.767	S	S	*	*			cis	82.1	132.2	39.4	0	0	0	0	0	112.9
619	G	30.1	Very low	32.6	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	78%	0.782	S	S	*	*			cis	-126.5	-157.3	-12.9	0	0	0	0	0	110.3
620	D	28.7	Very low	32.6	Very low	147 Å²	147	134.9 Å²	134.9	79%	0.786	79%	0.788	S	S	*	*			cis	-154.3	148.7	0.1	-111.8	-41.6	0	0	0	107.8
621	S	33.7	Very low	34	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	78%	0.784	S	S	*	*				59.5	137.8	86.6	-49.3	0	0	0	0	115.3
622	E	33.9	Very low	35.4	Very low	135 Å²	135	133.8 Å²	133.8	63%	0.631	79%	0.785	S	S	*	*			cis	-164.4	161.1	1.4	-132.4	-161.1	133.4	0	0	112.1
623	R	30.1	Very low	35.3	Very low	209 Å²	209	135.4 Å²	135.4	79%	0.789	78%	0.783	S	S	*	*			trans	59	152.6	159.2	-59.3	174.1	-163	163.6	19.6	120.1
624	G	28.6	Very low	35.2	Very low	66 Å²	66	133.6 Å²	133.6	68%	0.68	77%	0.774	S	S	*	*			cis	121	102.5	-18.1	0	0	0	0	0	117.4
625	T	32.4	Very low	35.1	Very low	153 Å²	153	133.6 Å²	133.6	94%	0.939	78%	0.777	S	S	*	*			trans	-163.2	146.9	159.4	16.7	0	0	0	0	112.6
626	G	29	Very low	34.1	Very low	66 Å²	66	136.1 Å²	136.1	68%	0.68	78%	0.778	S	S	*	*			trans	-100	-146.8	164.2	0	0	0	0	0	111.8
627	P	52.3	Low	33.8	Very low	113 Å²	113	131.5 Å²	131.5	73%	0.734	78%	0.78	S	S	*	*			cis	-144.9	175.7	12.1	44.1	-24.8	0	0	0	118.5
628	D	32.1	Very low	33.9	Very low	146 Å²	146	127 Å²	127	78%	0.781	77%	0.769	S	S	*	*			trans	44.6	127.4	144.9	-55.3	-14.9	0	0	0	125.2
629	R	28.7	Very low	34.4	Very low	243 Å²	243	128.1 Å²	128.1	92%	0.917	77%	0.767	S	S	*	*				-170	160.5	101.9	-103.5	-178.1	179.4	-159.1	-0.9	115.4
630	L	30.9	Very low	34.4	Very low	160 Å²	160	131.4 Å²	131.4	84%	0.838	77%	0.768	S	S	*	*			trans	-143.7	-172.2	-178.6	-74.9	165.6	0	0	0	108.6
631	P	60.9	Low	34.5	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	77%	0.773	S	S	*	*				-114.6	-112.9	-56.7	30	-10.1	0	0	0	109.3
632	P	55.7	Low	34.3	Very low	101 Å²	101	134.7 Å²	134.7	66%	0.656	78%	0.782	S	S	*	*				-127.6	-177.5	-53.2	32.7	-12.7	0	0	0	115.5
633	V	30.6	Very low	34.2	Very low	143 Å²	143	133 Å²	133	87%	0.867	78%	0.782	S	S	*	*			trans	72.4	143.3	163.2	-163.2	0	0	0	0	117.4
634	G	28	Very low	34.1	Very low	65 Å²	65	130.9 Å²	130.9	67%	0.67	79%	0.785	S	S	*	*			cis	158.5	160.7	-12.8	0	0	0	0	0	115.7
635	E	28.4	Very low	33.9	Very low	175 Å²	175	132.6 Å²	132.6	82%	0.818	79%	0.786	S	S	*	*			trans	72.9	154.1	160.7	-74.1	-159.3	83.8	0	0	124.6
636	Q	28.3	Very low	33.7	Very low	183 Å²	183	132.1 Å²	132.1	86%	0.855	78%	0.783	S	S	*	*			trans	67.8	137.2	167.6	-66.7	162.6	36.5	0	0	118.7
637	G	26.1	Very low	33.5	Very low	78 Å²	78	137 Å²	137	80%	0.804	79%	0.788	S	S	*	*			cis	-171.4	164.6	-4	0	0	0	0	0	112.9
638	S	29.8	Very low	32.5	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	80%	0.799	S	S	*	*			trans	-80.8	170	-173.8	-151.1	0	0	0	0	114
639	P	44.4	Very low	32.3	Very low	126 Å²	126	142.4 Å²	142.4	82%	0.818	80%	0.801	S	S	*	*				-142.5	172	84	39.8	-23.9	0	0	0	116.2
640	D	28.8	Very low	32.4	Very low	143 Å²	143	133.9 Å²	133.9	77%	0.765	79%	0.788	S	S	*	*			trans	-91	162.9	-160.2	-41.8	-82.1	0	0	0	116.5
641	S	32.4	Very low	32.2	Very low	128 Å²	128	133.4 Å²	133.4	90%	0.895	79%	0.792	S	S	*	*			trans	-159.9	101.3	159	-74.4	0	0	0	0	111.4
642	E	28.7	Very low	30.5	Very low	187 Å²	187	138.7 Å²	138.7	87%	0.874	80%	0.797	S	S	*	*			trans	-87.9	172	164.3	-111.4	-166.1	-165.9	0	0	110.8
643	P	32.4	Very low	29.6	Very low	99 Å²	99	145.4 Å²	145.4	64%	0.643	81%	0.81	S	S	*	*			cis	-129.5	174	-17.5	37.4	-22.3	0	0	0	113
644	I	27.6	Very low	29.8	Very low	165 Å²	165	144.1 Å²	144.1	85%	0.846	80%	0.804	S	S	*	*			trans	-158.6	124.7	132.6	-103.1	154.9	0	0	0	108
645	S	24.7	Very low	30.2	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	81%	0.809	S	S	*	*			trans	-89.7	146.5	171.4	47.5	0	0	0	0	110.5
646	V	26.8	Very low	30.7	Very low	143 Å²	143	147.3 Å²	147.3	87%	0.867	81%	0.812	S	S	*	*			trans	-124	98.5	152	-179.9	0	0	0	0	106.5
647	E	25.3	Very low	30.6	Very low	168 Å²	168	146.8 Å²	146.8	79%	0.785	81%	0.814	S	S	*	*			trans	-74.9	143.9	-179	-173.2	165.9	-174.6	0	0	111	E649	E647-E649 PolarHBondContact O-N 3.32Å
648	M	32.5	Very low	31	Very low	195 Å²	195	150 Å²	150	96%	0.961	81%	0.813	S	S	*	*			trans	-90.4	80.8	-178.9	-175	-177.6	-178	0	0	110.3
649	E	27.9	Very low	30.9	Very low	179 Å²	179	156.6 Å²	156.6	84%	0.836	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-100.5	123.1	172.2	-166.3	161.9	-144.4	0	0	112.1	E647	E647-E649 PolarHBondContact O-N 3.32Å
650	G	29.4	Very low	30.3	Very low	63 Å²	63	155.3 Å²	155.3	65%	0.649	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-96.8	147.2	-176.6	0	0	0	0	0	113.4
651	V	26.6	Very low	30.6	Very low	150 Å²	150	155.7 Å²	155.7	91%	0.909	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-101.7	126.8	179.1	-178.9	0	0	0	0	111.3
652	R	26	Very low	31.1	Very low	223 Å²	223	157.5 Å²	157.5	84%	0.842	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.5	155	176.9	-59.7	172.9	164.5	87.9	-6	111.5
653	R	36.1	Very low	31.6	Very low	242 Å²	242	152.7 Å²	152.7	91%	0.913	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.3	140.1	145.5	-65.2	178.1	-179.7	165.8	-0.7	107.3
654	P	35.6	Very low	32.5	Very low	116 Å²	116	152.6 Å²	152.6	75%	0.753	79%	0.793	S	S	*	*				-146	-155.2	58.6	44.6	-24.9	0	0	0	111.1
655	P	35.8	Very low	33.9	Very low	118 Å²	118	150.5 Å²	150.5	77%	0.766	78%	0.78	S	S	*	*			cis	-123.5	-169	-13.7	42.2	-26.7	0	0	0	113.3
656	E	39.8	Very low	35.5	Very low	189 Å²	189	154.7 Å²	154.7	88%	0.883	78%	0.781	S	S	*	*			trans	-69	145.1	165.4	-61	161.8	114.3	0	0	111.6
657	L	26.9	Very low	37.3	Very low	172 Å²	172	152.4 Å²	152.4	90%	0.901	77%	0.768	S	S	*	*			trans	-156.3	138.7	146.2	-163.5	64.2	0	0	0	111.4
658	D	34.5	Very low	39.3	Very low	147 Å²	147	150 Å²	150	79%	0.786	76%	0.76	S	S	*	*			trans	-54.3	146.2	176.2	-96	-64.6	0	0	0	114.9
659	R	27.3	Very low	41.2	Very low	234 Å²	234	145.3 Å²	145.3	88%	0.883	74%	0.738	S	S	*	*			trans	-149.2	79.1	142.6	-132.8	165.7	-177.2	151.5	2.3	116.5
660	T	31.5	Very low	43.6	Very low	99 Å²	99	141.8 Å²	141.8	61%	0.607	72%	0.724	S	S	*	*			trans	60.3	103.5	140.9	59.1	0	0	0	0	118.4	H662	T660-H662 PolarHBondContact O-N 2.77Å; T660-H662 VanDerWaalsContact O-N 3.11Å
661	N	35	Very low	45.9	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	71%	0.711	S	S	*	*			trans	-50.8	112.8	158.6	-70	-53.1	0	0	0	111.6	S663	N661-S663 PolarHBondContact O-N 2.64Å
662	H	42.3	Very low	48.3	Very low	166 Å²	166	137.3 Å²	137.3	77%	0.769	69%	0.692	S	S	*	*			trans	-89.1	62.2	154.8	-91.2	70.6	0	0	0	109.4	T660 V664	T660-H662 PolarHBondContact O-N 2.77Å; T660-H662 VanDerWaalsContact O-N 3.11Å; H662-V664 PolarHBondContact O-N 3.19Å
663	S	39.9	Very low	51.2	Low	86 Å²	86	131.6 Å²	131.6	60%	0.601	68%	0.681	S	S	*	*			trans	-73	65.1	170.1	56.4	0	0	0	0	110.2	N661 H665	N661-S663 PolarHBondContact O-N 2.64Å; S663-H665 PolarHBondContact O-N 3.03Å
664	V	50.7	Low	53.5	Low	96 Å²	96	125.1 Å²	125.1	58%	0.582	66%	0.664	S	S	*	*			trans	-60.7	106.7	167.7	-179.9	0	0	0	0	106.2	H662 Y666	H662-V664 PolarHBondContact O-N 3.19Å; V664-Y666 PolarHBondContact O-N 3.04Å
665	H	58.7	Low	56	Low	121 Å²	121	123.7 Å²	123.7	56%	0.56	65%	0.653	S	S	*	*			trans	-52.1	107.6	-165.4	-94.2	-101	0	0	0	112.4	S663 T667 L668 L669	S663-H665 PolarHBondContact O-N 3.03Å; H665-T667 PolarHBondContact ND1-OG1 3.48Å; H665-T667 PolarHBondContact O-N 2.99Å; H665-L668 HydrophobicContact CB-CB 3.54Å; H665-L668 WeakPolarHBondContact O-CA 3.33Å; H665-L668 WeakPolarHBondContact O-CB 3.2Å; H665-L668 PolarHBondContact O-N 2.99Å; H665-L669 PolarHBondContact O-N 3.02Å
666	Y	57.4	Low	58.4	Low	189 Å²	189	121.1 Å²	121.1	74%	0.741	64%	0.641	S	S	*	*	H	α-helix	trans	-56.6	-34.2	168.1	-75.5	-83.5	0	0	0	111	V664 L668 L669 I670	V664-Y666 PolarHBondContact O-N 3.04Å; Y666-L668 VanDerWaalsContact C-N 3.35Å; Y666-L668 PolarHBondContact O-N 3.24Å; Y666-L669 PolarHBondContact O-N 3.25Å; Y666-I670 WeakPolarHBondContact O-CB 2.98Å; Y666-I670 WeakPolarHBondContact O-CD1 3.33Å; Y666-I670 WeakPolarHBondContact O-CG1 3.48Å; Y666-I670 PolarHBondContact O-N 2.73Å
667	T	64	Low	60.8	Low	96 Å²	96	119.7 Å²	119.7	59%	0.589	63%	0.632	S	S	*	*	H	α-helix	trans	-61.4	-36.2	170.5	28	0	0	0	0	113.6	H665 A671	H665-T667 PolarHBondContact ND1-OG1 3.48Å; H665-T667 PolarHBondContact O-N 2.99Å; T667-A671 VanDerWaalsContact O-CB 3.22Å; T667-A671 WeakPolarHBondContact O-CB 3.5Å; T667-A671 PolarHBondContact O-N 3.49Å
668	L	68.2	Low	63.8	Low	116 Å²	116	115.1 Å²	115.1	61%	0.607	61%	0.612	S	S	*	*	H	α-helix	trans	-72.7	-40.9	175.7	-165.9	83.1	0	0	0	110.8	H665 Y666 A671 C672	H665-L668 HydrophobicContact CB-CB 3.54Å; H665-L668 WeakPolarHBondContact O-CA 3.33Å; H665-L668 WeakPolarHBondContact O-CB 3.2Å; H665-L668 PolarHBondContact O-N 2.99Å; Y666-L668 VanDerWaalsContact C-N 3.35Å; Y666-L668 PolarHBondContact O-N 3.24Å; L668-A671 PolarHBondContact O-N 2.92Å; L668-C672 WeakPolarHBondContact O-CB 3.44Å; L668-C672 PolarHBondContact O-N 3.33Å; L668-C672 PolarHBondContact O-SG 3.08Å
669	L	72.1	Confident	66.4	Low	98 Å²	98	113 Å²	113	51%	0.513	60%	0.6	S	S	.	*	H	α-helix	trans	-62.6	-44.9	174.5	-74.1	168.2	0	0	0	111.8	H665 Y666 C672 V673	H665-L669 PolarHBondContact O-N 3.02Å; Y666-L669 PolarHBondContact O-N 3.25Å; L669-C672 PolarHBondContact O-N 3.13Å; L669-V673 WeakPolarHBondContact O-CG2 3.37Å; L669-V673 PolarHBondContact O-N 2.64Å
670	I	79.3	Confident	69.3	Low	104 Å²	104	104 Å²	104	53%	0.533	58%	0.58	S	S	.	*	H	α-helix	trans	-63.4	-43.3	175.4	-69	164	0	0	0	110.7	Y666 V673 L674	Y666-I670 WeakPolarHBondContact O-CB 2.98Å; Y666-I670 WeakPolarHBondContact O-CD1 3.33Å; Y666-I670 WeakPolarHBondContact O-CG1 3.48Å; Y666-I670 PolarHBondContact O-N 2.73Å; I670-V673 PolarHBondContact O-N 2.71Å; I670-L674 HydrophobicContact CG2-CD1 4.03Å; I670-L674 WeakPolarHBondContact O-CG 3.25Å; I670-L674 PolarHBondContact O-N 3.17Å
671	A	76.8	Confident	71.9	Confident	45 Å²	45	101.7 Å²	101.7	37%	0.372	57%	0.571	S	S	.	*	H	α-helix	trans	-61.4	-44.5	174.9	0	0	0	0	0	112.1	T667 L668 V673 L674 V675	T667-A671 VanDerWaalsContact O-CB 3.22Å; T667-A671 WeakPolarHBondContact O-CB 3.5Å; T667-A671 PolarHBondContact O-N 3.49Å; L668-A671 PolarHBondContact O-N 2.92Å; A671-V673 VanDerWaalsContact C-N 3.34Å; A671-V673 PolarHBondContact O-N 2.04Å; A671-L674 PolarHBondContact O-N 3.02Å; A671-V675 WeakPolarHBondContact O-CB 3.49Å; A671-V675 VanDerWaalsContact O-CG2 3.31Å; A671-V675 WeakPolarHBondContact O-CG2 3.42Å; A671-V675 PolarHBondContact O-N 3.23Å
672	C	76.7	Confident	74.5	Confident	75 Å²	75	101.9 Å²	101.9	51%	0.507	57%	0.565	S	S	.	*	H	α-helix	trans	-61.7	-39.2	175.4	-74.9	0	0	0	0	112.5	L668 L669 A676	L668-C672 WeakPolarHBondContact O-CB 3.44Å; L668-C672 PolarHBondContact O-N 3.33Å; L668-C672 PolarHBondContact O-SG 3.08Å; L669-C672 PolarHBondContact O-N 3.13Å; C672-A676 VanDerWaalsContact O-CB 3.22Å; C672-A676 WeakPolarHBondContact O-CB 3.32Å; C672-A676 PolarHBondContact O-N 2.81Å
673	V	87	Confident	76.7	Confident	102 Å²	102	98.1 Å²	98.1	62%	0.618	55%	0.553	S	S	*	*	H	α-helix	trans	-66.8	-42.7	175.2	169.8	0	0	0	0	111.5	L669 I670 A671 A676 F677	L669-V673 WeakPolarHBondContact O-CG2 3.37Å; L669-V673 PolarHBondContact O-N 2.64Å; I670-V673 PolarHBondContact O-N 2.71Å; A671-V673 VanDerWaalsContact C-N 3.34Å; A671-V673 PolarHBondContact O-N 2.04Å; V673-A676 PolarHBondContact O-N 3.13Å; V673-F677 WeakPolarHBondContact O-CB 3.35Å; V673-F677 PolarHBondContact O-N 3.4Å
674	L	84.7	Confident	78.9	Confident	107 Å²	107	94.9 Å²	94.9	56%	0.56	53%	0.53	S	S	*	.	H	α-helix	trans	-64.1	-45.3	175.7	-74.5	168.5	0	0	0	111.9	I670 A671 F677 V678	I670-L674 HydrophobicContact CG2-CD1 4.03Å; I670-L674 WeakPolarHBondContact O-CG 3.25Å; I670-L674 PolarHBondContact O-N 3.17Å; A671-L674 PolarHBondContact O-N 3.02Å; L674-F677 PolarHBondContact O-N 2.86Å; L674-V678 WeakPolarHBondContact O-CG2 3.28Å; L674-V678 PolarHBondContact O-N 3.16Å
675	V	87.7	Confident	80.6	Confident	86 Å²	86	92.2 Å²	92.2	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-43.1	175.7	169.7	0	0	0	0	110.9	A671 F677 V678 L679	A671-V675 WeakPolarHBondContact O-CB 3.49Å; A671-V675 VanDerWaalsContact O-CG2 3.31Å; A671-V675 WeakPolarHBondContact O-CG2 3.42Å; A671-V675 PolarHBondContact O-N 3.23Å; V675-F677 VanDerWaalsContact C-N 3.33Å; V675-F677 PolarHBondContact O-N 2.89Å; V675-V678 PolarHBondContact O-N 3.05Å; V675-L679 HydrophobicContact CG1-CD1 3.78Å; V675-L679 HydrophobicContact CG1-CG 4.3Å; V675-L679 WeakPolarHBondContact O-CB 3.28Å; V675-L679 VanDerWaalsContact O-CG 3.28Å; V675-L679 WeakPolarHBondContact O-CG 3.16Å; V675-L679 PolarHBondContact O-N 3.49Å
676	A	86.9	Confident	82	Confident	63 Å²	63	93.3 Å²	93.3	52%	0.521	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-37.5	175.3	0	0	0	0	0	112.6	C672 V673 G680	C672-A676 VanDerWaalsContact O-CB 3.22Å; C672-A676 WeakPolarHBondContact O-CB 3.32Å; C672-A676 PolarHBondContact O-N 2.81Å; V673-A676 PolarHBondContact O-N 3.13Å; A676-G680 PolarHBondContact O-N 2.71Å
677	F	90.5	Very high	83.3	Confident	159 Å²	159	88.9 Å²	88.9	70%	0.697	51%	0.514	S	S	*	.	H	α-helix	trans	-67.5	-44.5	175.9	-170.4	-93.3	0	0	0	112	V673 L674 V675 G680 A681	V673-F677 WeakPolarHBondContact O-CB 3.35Å; V673-F677 PolarHBondContact O-N 3.4Å; L674-F677 PolarHBondContact O-N 2.86Å; V675-F677 VanDerWaalsContact C-N 3.33Å; V675-F677 PolarHBondContact O-N 2.89Å; F677-G680 PolarHBondContact O-N 3.24Å; F677-A681 PolarHBondContact O-N 2.92Å
678	V	89.1	Confident	84.4	Confident	76 Å²	76	86.5 Å²	86.5	46%	0.461	50%	0.499	S	S	.	.	H	α-helix	trans	-64.4	-45	176.3	171.8	0	0	0	0	111.3	L674 V675 G680 A681 F682	L674-V678 WeakPolarHBondContact O-CG2 3.28Å; L674-V678 PolarHBondContact O-N 3.16Å; V675-V678 PolarHBondContact O-N 3.05Å; V678-G680 VanDerWaalsContact C-N 3.34Å; V678-G680 PolarHBondContact O-N 3.25Å; V678-A681 WeakPolarHBondContact O-CB 3.1Å; V678-A681 PolarHBondContact O-N 3.38Å; V678-F682 HydrophobicContact CG1-CD2 3.89Å; V678-F682 HydrophobicContact CG1-CE2 3.93Å; V678-F682 WeakPolarHBondContact O-CD2 3.37Å; V678-F682 PolarHBondContact O-N 2.68Å
679	L	88	Confident	85	Confident	104 Å²	104	84.7 Å²	84.7	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-40.6	174.7	-71.5	172.4	0	0	0	111.8	V675 A681 F682 V683	V675-L679 HydrophobicContact CG1-CD1 3.78Å; V675-L679 HydrophobicContact CG1-CG 4.3Å; V675-L679 WeakPolarHBondContact O-CB 3.28Å; V675-L679 VanDerWaalsContact O-CG 3.28Å; V675-L679 WeakPolarHBondContact O-CG 3.16Å; V675-L679 PolarHBondContact O-N 3.49Å; L679-A681 VanDerWaalsContact C-N 3.32Å; L679-A681 PolarHBondContact O-N 3.15Å; L679-F682 PolarHBondContact O-N 3.39Å; L679-V683 WeakPolarHBondContact O-CG2 3.49Å; L679-V683 PolarHBondContact O-N 3.09Å
680	G	88.2	Confident	85.2	Confident	45 Å²	45	82.9 Å²	82.9	46%	0.464	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-40.6	172.8	0	0	0	0	0	112.8	A676 F677 V678 S684	A676-G680 PolarHBondContact O-N 2.71Å; F677-G680 PolarHBondContact O-N 3.24Å; V678-G680 VanDerWaalsContact C-N 3.34Å; V678-G680 PolarHBondContact O-N 3.25Å; G680-S684 WeakPolarHBondContact O-CB 3.38Å; G680-S684 PolarHBondContact O-N 3.41Å; G680-S684 PolarHBondContact O-OG 3.39Å
681	A	87.5	Confident	85.1	Confident	50 Å²	50	85.4 Å²	85.4	41%	0.413	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-46.4	174.1	0	0	0	0	0	112	F677 V678 L679 S684 G685	F677-A681 PolarHBondContact O-N 2.92Å; V678-A681 WeakPolarHBondContact O-CB 3.1Å; V678-A681 PolarHBondContact O-N 3.38Å; L679-A681 VanDerWaalsContact C-N 3.32Å; L679-A681 PolarHBondContact O-N 3.15Å; A681-S684 WeakPolarHBondContact CA-OG 3.35Å; A681-S684 PolarHBondContact O-N 3.11Å; A681-S684 PolarHBondContact O-OG 3.45Å; A681-G685 PolarHBondContact O-N 2.84Å
682	F	88.8	Confident	85.1	Confident	156 Å²	156	86.7 Å²	86.7	68%	0.684	50%	0.501	S	S	*	.	H	α-helix	trans	-62.8	-46.5	177	-88.7	-76.8	0	0	0	113.1	V678 L679 S684 G685 F686	V678-F682 HydrophobicContact CG1-CD2 3.89Å; V678-F682 HydrophobicContact CG1-CE2 3.93Å; V678-F682 WeakPolarHBondContact O-CD2 3.37Å; V678-F682 PolarHBondContact O-N 2.68Å; L679-F682 PolarHBondContact O-N 3.39Å; F682-S684 VanDerWaalsContact C-N 3.27Å; F682-S684 PolarHBondContact O-N 3.29Å; F682-G685 PolarHBondContact O-N 2.99Å; F682-F686 PolarHBondContact O-N 2.89Å; F682-F686 VanDerWaalsContact O-N 3.08Å
683	V	88.4	Confident	84.9	Confident	86 Å²	86	87.7 Å²	87.7	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-38.4	176	172.5	0	0	0	0	110.7	L679 F686 L687	L679-V683 WeakPolarHBondContact O-CG2 3.49Å; L679-V683 PolarHBondContact O-N 3.09Å; V683-F686 PolarHBondContact O-N 3.19Å; V683-L687 HydrophobicContact CG1-CD1 3.94Å; V683-L687 HydrophobicContact CG1-CG 4.38Å; V683-L687 WeakPolarHBondContact O-CG 3.47Å; V683-L687 PolarHBondContact O-N 2.79Å
684	S	87.4	Confident	83.8	Confident	18 Å²	18	88.2 Å²	88.2	13%	0.126	50%	0.497	C	S	.	.	H	α-helix	trans	-63.7	-47.4	176.5	67	0	0	0	0	114.2	G680 A681 F682 F686 L687 V688	G680-S684 WeakPolarHBondContact O-CB 3.38Å; G680-S684 PolarHBondContact O-N 3.41Å; G680-S684 PolarHBondContact O-OG 3.39Å; A681-S684 WeakPolarHBondContact CA-OG 3.35Å; A681-S684 PolarHBondContact O-N 3.11Å; A681-S684 PolarHBondContact O-OG 3.45Å; F682-S684 VanDerWaalsContact C-N 3.27Å; F682-S684 PolarHBondContact O-N 3.29Å; S684-F686 VanDerWaalsContact C-N 3.27Å; S684-F686 PolarHBondContact O-N 2.71Å; S684-L687 PolarHBondContact O-N 2.91Å; S684-V688 WeakPolarHBondContact O-CG2 3.21Å; S684-V688 PolarHBondContact O-N 2.69Å
685	G	86.3	Confident	82.7	Confident	40 Å²	40	86 Å²	86	41%	0.412	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-38.9	177.6	0	0	0	0	0	111.7	A681 F682 S689	A681-G685 PolarHBondContact O-N 2.84Å; F682-G685 PolarHBondContact O-N 2.99Å; G685-S689 VanDerWaalsContact O-CB 3.24Å; G685-S689 WeakPolarHBondContact O-CB 3.43Å; G685-S689 PolarHBondContact O-N 3.26Å
686	F	87.9	Confident	81.2	Confident	145 Å²	145	85 Å²	85	64%	0.636	48%	0.484	S	S	*	.	H	α-helix	trans	-65.5	-45.5	176.5	-163.5	-95.3	0	0	0	112.4	F682 V683 S684 S689 C690	F682-F686 PolarHBondContact O-N 2.89Å; F682-F686 VanDerWaalsContact O-N 3.08Å; V683-F686 PolarHBondContact O-N 3.19Å; S684-F686 VanDerWaalsContact C-N 3.27Å; S684-F686 PolarHBondContact O-N 2.71Å; F686-S689 PolarHBondContact O-N 2.79Å; F686-C690 VanDerWaalsContact CE1-SG 3.55Å; F686-C690 WeakPolarHBondContact O-CB 3.39Å; F686-C690 PolarHBondContact O-N 2.86Å; F686-C690 PolarHBondContact O-SG 3.09Å; F686-C690 VanDerWaalsContact O-SG 3.35Å
687	L	83.9	Confident	79.6	Confident	95 Å²	95	88.9 Å²	88.9	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-44.1	177.5	-73.7	171.3	0	0	0	112.5	V683 S684 C690 Y691	V683-L687 HydrophobicContact CG1-CD1 3.94Å; V683-L687 HydrophobicContact CG1-CG 4.38Å; V683-L687 WeakPolarHBondContact O-CG 3.47Å; V683-L687 PolarHBondContact O-N 2.79Å; S684-L687 PolarHBondContact O-N 2.91Å; L687-C690 PolarHBondContact O-N 2.92Å; L687-Y691 WeakPolarHBondContact O-CB 3.38Å; L687-Y691 PolarHBondContact O-N 3.45Å
688	V	88.1	Confident	77.7	Confident	46 Å²	46	88.3 Å²	88.3	28%	0.279	49%	0.489	S	S	.	.	H	α-helix	trans	-64.9	-44.1	176.2	174.7	0	0	0	0	110.8	S684 C690 Y691 C692 P828	S684-V688 WeakPolarHBondContact O-CG2 3.21Å; S684-V688 PolarHBondContact O-N 2.69Å; V688-C690 VanDerWaalsContact C-N 3.34Å; V688-C690 PolarHBondContact O-N 3.28Å; V688-Y691 PolarHBondContact O-N 3Å; V688-C692 PolarHBondContact O-N 3.3Å; V688-C692 PolarHBondContact O-SG 3.16Å; V688-C692 VanDerWaalsContact O-SG 3.41Å; V688-P828 WeakPolarHBondContact CG2-O 3.43Å
689	S	79.9	Confident	75.9	Confident	79 Å²	79	89.5 Å²	89.5	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-58.7	-43.2	175.6	-174	0	0	0	0	112.3	G685 F686 N693	G685-S689 VanDerWaalsContact O-CB 3.24Å; G685-S689 WeakPolarHBondContact O-CB 3.43Å; G685-S689 PolarHBondContact O-N 3.26Å; F686-S689 PolarHBondContact O-N 2.79Å; S689-N693 WeakPolarHBondContact O-CB 3.43Å; S689-N693 PolarHBondContact O-N 2.67Å; S689-N693 VanDerWaalsContact O-N 3.07Å
690	C	76.1	Confident	73.9	Confident	59 Å²	59	93.1 Å²	93.1	40%	0.399	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-40	175.3	-72.2	0	0	0	0	112.6	F686 L687 V688 N693 H694	F686-C690 VanDerWaalsContact CE1-SG 3.55Å; F686-C690 WeakPolarHBondContact O-CB 3.39Å; F686-C690 PolarHBondContact O-N 2.86Å; F686-C690 PolarHBondContact O-SG 3.09Å; F686-C690 VanDerWaalsContact O-SG 3.35Å; L687-C690 PolarHBondContact O-N 2.92Å; V688-C690 VanDerWaalsContact C-N 3.34Å; V688-C690 PolarHBondContact O-N 3.28Å; C690-N693 PolarHBondContact O-N 3.13Å; C690-H694 WeakPolarHBondContact O-CB 3.38Å; C690-H694 PolarHBondContact O-N 2.91Å
691	Y	78.1	Confident	71.9	Confident	158 Å²	158	100.1 Å²	100.1	62%	0.62	53%	0.529	S	S	*	.	H	α-helix	trans	-65	-45.7	178.1	-175.9	-93.7	0	0	0	112.3	L687 V688 N693 H694 T695	L687-Y691 WeakPolarHBondContact O-CB 3.38Å; L687-Y691 PolarHBondContact O-N 3.45Å; V688-Y691 PolarHBondContact O-N 3Å; Y691-N693 VanDerWaalsContact C-N 3.34Å; Y691-N693 PolarHBondContact O-N 3.2Å; Y691-H694 PolarHBondContact O-N 2.95Å; Y691-T695 HydrophobicContact CD1-CG2 4.46Å; Y691-T695 HydrophobicContact CE1-CG2 4.07Å; Y691-T695 WeakPolarHBondContact O-CG2 3.36Å; Y691-T695 PolarHBondContact O-N 3.14Å; Y691-T695 PolarHBondContact O-OG1 3.48Å
692	C	75.4	Confident	69.6	Low	72 Å²	72	106.2 Å²	106.2	49%	0.486	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-37.9	175.7	-69	0	0	0	0	112.4	V688 T695 S696	V688-C692 PolarHBondContact O-N 3.3Å; V688-C692 PolarHBondContact O-SG 3.16Å; V688-C692 VanDerWaalsContact O-SG 3.41Å; C692-T695 WeakPolarHBondContact CA-OG1 3.4Å; C692-T695 PolarHBondContact O-OG1 3.23Å; C692-T695 VanDerWaalsContact O-OG1 3.04Å; C692-S696 WeakPolarHBondContact O-CB 2.82Å; C692-S696 PolarHBondContact O-N 3.02Å
693	N	73.3	Confident	67	Low	96 Å²	96	103.9 Å²	103.9	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-70.9	-46.1	177.3	-159.6	9.7	0	0	0	111.9	S689 C690 Y691 T695 S696 H697	S689-N693 WeakPolarHBondContact O-CB 3.43Å; S689-N693 PolarHBondContact O-N 2.67Å; S689-N693 VanDerWaalsContact O-N 3.07Å; C690-N693 PolarHBondContact O-N 3.13Å; Y691-N693 VanDerWaalsContact C-N 3.34Å; Y691-N693 PolarHBondContact O-N 3.2Å; N693-T695 VanDerWaalsContact C-N 3.31Å; N693-T695 PolarHBondContact O-N 3.2Å; N693-S696 WeakPolarHBondContact O-CB 3.41Å; N693-S696 PolarHBondContact O-N 2.97Å; N693-H697 PolarHBondContact O-CD2 3.48Å; N693-H697 PolarHBondContact O-N 3.19Å; N693-H697 VanDerWaalsContact O-N 3.15Å
694	H	64.3	Low	64.4	Low	112 Å²	112	108.4 Å²	108.4	52%	0.519	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-32.8	178.9	178.4	-118	0	0	0	113.3	C690 Y691	C690-H694 WeakPolarHBondContact O-CB 3.38Å; C690-H694 PolarHBondContact O-N 2.91Å; Y691-H694 PolarHBondContact O-N 2.95Å
695	T	61.5	Low	62	Low	62 Å²	62	114 Å²	114	38%	0.38	60%	0.598	S	S	.	*	H	α-helix	trans	-72.4	-40.5	173.9	44.3	0	0	0	0	112.4	Y691 C692 N693 H697 K698	Y691-T695 HydrophobicContact CD1-CG2 4.46Å; Y691-T695 HydrophobicContact CE1-CG2 4.07Å; Y691-T695 WeakPolarHBondContact O-CG2 3.36Å; Y691-T695 PolarHBondContact O-N 3.14Å; Y691-T695 PolarHBondContact O-OG1 3.48Å; C692-T695 WeakPolarHBondContact CA-OG1 3.4Å; C692-T695 PolarHBondContact O-OG1 3.23Å; C692-T695 VanDerWaalsContact O-OG1 3.04Å; N693-T695 VanDerWaalsContact C-N 3.31Å; N693-T695 PolarHBondContact O-N 3.2Å; T695-H697 PolarHBondContact O-N 3.49Å; T695-K698 PolarHBondContact O-N 3.07Å; T695-K698 VanDerWaalsContact O-N 3.08Å
696	S	55.8	Low	60.2	Low	64 Å²	64	117.5 Å²	117.5	45%	0.448	61%	0.613	S	S	.	*	H	α-helix	trans	-58.5	-33.4	173.9	-171.1	0	0	0	0	113.3	C692 N693 S699	C692-S696 WeakPolarHBondContact O-CB 2.82Å; C692-S696 PolarHBondContact O-N 3.02Å; N693-S696 WeakPolarHBondContact O-CB 3.41Å; N693-S696 PolarHBondContact O-N 2.97Å; S696-S699 PolarHBondContact O-OG 3.19Å
697	H	52.9	Low	57.6	Low	144 Å²	144	120 Å²	120	67%	0.667	63%	0.627	S	S	*	*	H	α-helix	trans	-74.7	-18.3	176.3	-87	-86.6	0	0	0	114.9	N693 T695	N693-H697 PolarHBondContact O-CD2 3.48Å; N693-H697 PolarHBondContact O-N 3.19Å; N693-H697 VanDerWaalsContact O-N 3.15Å; T695-H697 PolarHBondContact O-N 3.49Å
698	K	51.4	Low	55.2	Low	148 Å²	148	120 Å²	120	64%	0.643	64%	0.641	S	S	*	*	H	α-helix	trans	-86.6	-26.9	178.9	-75.7	-168.3	174.7	-171.2	0	114.2	T695 K700	T695-K698 PolarHBondContact O-N 3.07Å; T695-K698 VanDerWaalsContact O-N 3.08Å; K698-K700 PolarHBondContact O-N 3.49Å
699	S	51.1	Low	53.1	Low	100 Å²	100	124 Å²	124	70%	0.699	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-5.2	-177.6	57.1	0	0	0	0	115	S696	S696-S699 PolarHBondContact O-OG 3.19Å
700	K	45.4	Very low	51.2	Low	180 Å²	180	127 Å²	127	78%	0.783	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	9.5	-179.5	-70	-174.2	176.4	178.4	0	115.2	K698	K698-K700 PolarHBondContact O-N 3.49Å
701	K	47.1	Very low	49.8	Very low	193 Å²	193	130 Å²	130	84%	0.839	70%	0.695	S	S	*	*	S	Bend	trans	-140.5	102.6	172.5	-77.9	-169.5	175.9	-175.5	0	112.4
702	L	37.8	Very low	47.7	Very low	177 Å²	177	131 Å²	131	93%	0.927	71%	0.705	S	S	*	*				154.9	139.4	124.6	-171.5	62.1	0	0	0	110
703	S	34.7	Very low	45.7	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	71%	0.714	S	S	*	*			trans	-142.9	162.6	176.2	55.1	0	0	0	0	110.2
704	K	33.3	Very low	43.6	Very low	182 Å²	182	134.9 Å²	134.9	79%	0.791	73%	0.732	S	S	*	*			trans	108.3	106	153.6	-161.5	166.3	-177.6	175.3	0	119.6
705	D	37.9	Very low	41.8	Very low	136 Å²	136	134.8 Å²	134.8	73%	0.727	74%	0.743	S	S	*	*			trans	67.6	168	140.4	-70.3	-22.7	0	0	0	120.8
706	P	48.7	Very low	40.3	Very low	112 Å²	112	139.3 Å²	139.3	73%	0.727	77%	0.765	S	S	*	*				-140.9	-162.9	-85.7	37.9	-13.2	0	0	0	115.7
707	E	33.2	Very low	39.1	Very low	197 Å²	197	148.5 Å²	148.5	92%	0.921	79%	0.789	S	S	*	*			trans	87.1	168	169.8	-56.6	-154.4	113.5	0	0	119.7
708	A	33.3	Very low	37.9	Very low	96 Å²	96	147.3 Å²	147.3	79%	0.793	80%	0.797	S	S	*	*			trans	-125.4	-171.7	-147.2	0	0	0	0	0	112.9
709	P	44	Very low	36.8	Very low	129 Å²	129	148.4 Å²	148.4	84%	0.838	81%	0.809	S	S	*	*			cis	-135.5	-158.7	12.2	43	-21.5	0	0	0	116.6
710	I	39.8	Very low	35.7	Very low	144 Å²	144	147.2 Å²	147.2	74%	0.738	81%	0.805	S	S	*	*			trans	-107	162.9	-163.2	-19.8	177.7	0	0	0	113.7
711	P	47.8	Very low	35	Very low	122 Å²	122	147.7 Å²	147.7	79%	0.792	81%	0.807	S	S	*	*				-141.9	179.2	103.3	36	-19.6	0	0	0	116.7
712	H	34	Very low	34.2	Very low	177 Å²	177	144.8 Å²	144.8	82%	0.819	80%	0.8	S	S	*	*			trans	-72.2	170.4	-168.6	-73.1	-105.8	0	0	0	115.1
713	A	31.8	Very low	33.8	Very low	83 Å²	83	143.7 Å²	143.7	69%	0.686	80%	0.795	S	S	*	*			cis	-163.1	154.4	34.5	0	0	0	0	0	118.8
714	L	29.5	Very low	33.4	Very low	168 Å²	168	142 Å²	142	88%	0.88	80%	0.795	S	S	*	*			trans	66.8	108.3	144.7	-69.6	167.4	0	0	0	123.7
715	S	27.3	Very low	33.1	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	80%	0.801	S	S	*	*				123.3	143.8	120.7	-150.6	0	0	0	0	119.6
716	L	30	Very low	32.7	Very low	158 Å²	158	143 Å²	143	83%	0.827	81%	0.807	S	S	*	*			trans	65.2	71.4	167.2	-60	-176.3	0	0	0	121.7
717	R	29.7	Very low	31.6	Very low	257 Å²	257	145.3 Å²	145.3	97%	0.97	81%	0.813	S	S	*	*				178.7	151	122.4	-105.8	177.8	169.4	129.8	-3	112.2
718	S	28	Very low	31.2	Very low	119 Å²	119	141.3 Å²	141.3	83%	0.832	81%	0.807	S	S	*	*			trans	-150.2	102.3	162.8	-170.3	0	0	0	0	113.3
719	L	29.1	Very low	30.8	Very low	171 Å²	171	145.7 Å²	145.7	90%	0.895	81%	0.811	S	S	*	*			trans	-150.1	132.5	146.8	-90.6	175.8	0	0	0	104.1
720	A	28.3	Very low	30	Very low	74 Å²	74	144.9 Å²	144.9	61%	0.612	81%	0.808	S	S	*	*			cis	-158.3	168.2	5.6	0	0	0	0	0	113.3
721	K	29.1	Very low	29.4	Very low	191 Å²	191	147.3 Å²	147.3	83%	0.83	81%	0.814	S	S	*	*			trans	64.7	127.5	144.8	-85.1	-174.7	168.3	-169.9	0	122.6
722	L	31.3	Very low	28.5	Very low	131 Å²	131	149.7 Å²	149.7	69%	0.686	81%	0.814	S	S	*	*				103.9	113.4	129.4	-110.8	79.6	0	0	0	122.3
723	N	28.7	Very low	28.1	Very low	155 Å²	155	149 Å²	149	83%	0.829	82%	0.816	S	S	*	*			trans	61.1	139.6	130.5	-67.3	13.3	0	0	0	124.5
724	G	27.6	Very low	27.8	Very low	72 Å²	72	153 Å²	153	74%	0.742	82%	0.819	S	S	*	*			trans	139.9	129.8	175.2	0	0	0	0	0	108.4
725	L	26.7	Very low	27.9	Very low	176 Å²	176	153.3 Å²	153.3	92%	0.921	82%	0.82	S	S	*	*			cis	-143.6	171.2	12	-106.3	160.7	0	0	0	111.7
726	L	29.4	Very low	27.8	Very low	163 Å²	163	155.7 Å²	155.7	85%	0.853	82%	0.819	S	S	*	*			trans	-86.1	154.8	170.1	-73.2	146.6	0	0	0	110.8
727	D	24.7	Very low	27.6	Very low	159 Å²	159	154.5 Å²	154.5	85%	0.85	82%	0.818	S	S	*	*			trans	-157.8	166.9	134	-141.7	-23	0	0	0	113.1
728	S	25.5	Very low	27.4	Very low	113 Å²	113	146.8 Å²	146.8	79%	0.79	80%	0.804	S	S	*	*			trans	72.1	122.7	176.7	71.9	0	0	0	0	117.9
729	Q	25.3	Very low	27.3	Very low	188 Å²	188	146.3 Å²	146.3	88%	0.879	80%	0.801	S	S	*	*			trans	-96.7	160.7	171.2	-55.6	169.8	-39.7	0	0	110.1
730	S	26	Very low	28.1	Very low	112 Å²	112	143 Å²	143	78%	0.783	79%	0.789	S	S	*	*				-178.2	132.2	112.5	38.6	0	0	0	0	115.5
731	K	27.3	Very low	28	Very low	196 Å²	196	148.2 Å²	148.2	85%	0.852	80%	0.798	S	S	*	*			trans	68.6	126.5	153	-67.8	-174.1	174.2	-176.2	0	121
732	E	28.1	Very low	28	Very low	172 Å²	172	146.6 Å²	146.6	80%	0.804	80%	0.797	S	S	*	*			trans	-84	171.6	171	-40.9	94.2	114.5	0	0	112.6
733	D	26.3	Very low	27.8	Very low	161 Å²	161	150.3 Å²	150.3	86%	0.861	80%	0.803	S	S	*	*				-137.4	163.7	127.5	-146.3	-22.2	0	0	0	110.3
734	K	26.6	Very low	27.7	Very low	168 Å²	168	149.8 Å²	149.8	73%	0.73	80%	0.8	S	S	*	*			trans	-90.8	150.4	-155.1	-63.4	179.8	173.8	-172.5	0	115.5
735	L	29.8	Very low	27.7	Very low	175 Å²	175	151.1 Å²	151.1	92%	0.916	80%	0.798	S	S	*	*				-155.5	130.5	112.9	-110.4	155.7	0	0	0	112.7
736	E	26.3	Very low	28	Very low	158 Å²	158	150.3 Å²	150.3	74%	0.738	79%	0.794	S	S	*	*			trans	-105.1	167.1	179.7	-128	-179.1	159	0	0	107.7
737	V	25.9	Very low	28	Very low	133 Å²	133	151.8 Å²	151.8	81%	0.806	79%	0.794	S	S	*	*			cis	-150.3	168.1	40	175.1	0	0	0	0	109.4
738	S	25.1	Very low	28.1	Very low	96 Å²	96	149.4 Å²	149.4	67%	0.671	79%	0.785	S	S	*	*			trans	-124.7	156.3	-177.5	69.9	0	0	0	0	115.8
739	S	27.1	Very low	28.2	Very low	109 Å²	109	151.3 Å²	151.3	76%	0.762	79%	0.786	S	S	*	*			trans	70.5	179.3	157.3	-41.6	0	0	0	0	116.1
740	P	44.6	Very low	28.4	Very low	100 Å²	100	145.3 Å²	145.3	65%	0.649	78%	0.775	S	S	*	*			cis	-144.3	-171.1	-1.1	46.3	-28.8	0	0	0	117.2
741	K	25.9	Very low	28.4	Very low	185 Å²	185	148.4 Å²	148.4	80%	0.804	78%	0.775	S	S	*	*			trans	73.8	164.1	151.3	-75.3	168	-164.9	172.9	0	118.1
742	I	30.1	Very low	28.6	Very low	156 Å²	156	145.6 Å²	145.6	80%	0.8	77%	0.765	S	S	*	*			cis	-148.3	176	7.7	-135.4	155	0	0	0	113
743	Y	26.6	Very low	28.5	Very low	209 Å²	209	145 Å²	145	82%	0.82	76%	0.761	S	S	*	*			trans	-118.7	141.8	176.8	-123.8	-95.2	0	0	0	110.9
744	N	27.7	Very low	28.8	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	76%	0.76	S	S	*	*			trans	143.4	145.6	139.1	-79.1	-14.5	0	0	0	119.8
745	S	26.5	Very low	29.6	Very low	100 Å²	100	144 Å²	144	70%	0.699	77%	0.766	S	S	*	*			trans	50.2	111.6	141.5	66.1	0	0	0	0	124.7
746	L	33.4	Very low	29.6	Very low	159 Å²	159	138.9 Å²	138.9	83%	0.832	76%	0.755	S	S	*	*				25.6	133.7	118.2	-66.6	163.7	0	0	0	121.4
747	F	28.8	Very low	29.8	Very low	195 Å²	195	141.6 Å²	141.6	86%	0.855	76%	0.758	S	S	*	*				-173.8	135	120.5	-99.6	-64.1	0	0	0	115
748	T	28.1	Very low	29.8	Very low	108 Å²	108	144 Å²	144	66%	0.663	75%	0.753	S	S	*	*			trans	7.7	159.2	146.2	54.2	0	0	0	0	123.1
749	N	26.9	Very low	30	Very low	153 Å²	153	148.5 Å²	148.5	82%	0.818	76%	0.761	S	S	*	*			cis	-160.8	-179.5	7.5	-120.7	-0.6	0	0	0	110.2
750	G	30.4	Very low	30	Very low	63 Å²	63	149.2 Å²	149.2	65%	0.649	76%	0.76	S	S	*	*			cis	128.2	111.1	-4.2	0	0	0	0	0	114.9
751	K	25.8	Very low	29.3	Very low	176 Å²	176	151.6 Å²	151.6	77%	0.765	76%	0.762	S	S	*	*			trans	-160	123.8	175.5	-138.9	179.4	-168.5	-73.4	0	114.8
752	E	29.9	Very low	29.4	Very low	138 Å²	138	151 Å²	151	65%	0.645	76%	0.762	S	S	*	*			trans	57.5	153.7	146.6	-72.4	168.4	-134.4	0	0	122.3
753	H	26.1	Very low	29.2	Very low	158 Å²	158	146.9 Å²	146.9	73%	0.731	76%	0.758	S	S	*	*			cis	-148.5	179.1	8.3	-134.9	95.1	0	0	0	111.8
754	H	32.3	Very low	29.3	Very low	178 Å²	178	145.7 Å²	145.7	82%	0.824	76%	0.762	S	S	*	*			trans	-121.6	157.4	-177.4	-96.6	1.9	0	0	0	112.5
755	P	45.1	Very low	29.3	Very low	132 Å²	132	144 Å²	144	86%	0.857	76%	0.757	S	S	*	*				-146.8	-174	64.5	39.8	-19.3	0	0	0	115.5
756	G	30.2	Very low	29.4	Very low	67 Å²	67	147.4 Å²	147.4	69%	0.691	76%	0.764	S	S	*	*			cis	156	148.8	-12.4	0	0	0	0	0	114.8
757	R	29.1	Very low	29.1	Very low	215 Å²	215	143 Å²	143	81%	0.811	76%	0.757	S	S	*	*			trans	80.8	145.8	-179	-61.6	-174.3	167.5	-173.5	-0.8	116.3
758	R	26.9	Very low	29	Very low	182 Å²	182	140.7 Å²	140.7	69%	0.687	75%	0.753	S	S	*	*			cis	-164.3	142.3	-2.7	-119.2	173.1	179.3	-175	-3.8	111.3
759	F	28.5	Very low	29	Very low	192 Å²	192	142.5 Å²	142.5	84%	0.842	76%	0.758	S	S	*	*			trans	49.2	147	130.3	-78.2	-120	0	0	0	120.9
760	V	27.6	Very low	29	Very low	124 Å²	124	141.1 Å²	141.1	75%	0.752	76%	0.755	S	S	*	*			cis	-159.8	-173.2	-0.7	90.4	0	0	0	0	112.4
761	H	28.8	Very low	28.8	Very low	149 Å²	149	146.5 Å²	146.5	69%	0.69	76%	0.763	S	S	*	*			trans	-73.7	165.6	-177.1	-83.7	-113.4	0	0	0	118.7
762	H	28.8	Very low	29.6	Very low	173 Å²	173	142.8 Å²	142.8	80%	0.801	76%	0.757	S	S	*	*			trans	51	118.1	145.8	-67.6	-57.5	0	0	0	122.6
763	G	25.1	Very low	29.7	Very low	69 Å²	69	143.4 Å²	143.4	71%	0.711	76%	0.759	S	S	*	*				89	147.2	95.1	0	0	0	0	0	120.9
764	M	28.5	Very low	29.9	Very low	184 Å²	184	142.9 Å²	142.9	91%	0.906	76%	0.757	S	S	*	*			trans	65.3	157.8	158.8	-68	-176.2	141.1	0	0	116.6
765	T	28.7	Very low	29.8	Very low	110 Å²	110	140 Å²	140	68%	0.675	74%	0.743	S	S	*	*			cis	-160.3	-177	-8.8	14.3	0	0	0	0	108.8
766	M	28.2	Very low	29	Very low	171 Å²	171	141.2 Å²	141.2	84%	0.842	74%	0.737	S	S	*	*			trans	77.2	149.6	166.5	-47.9	-62.3	-81.1	0	0	116.5
767	G	27	Very low	28.9	Very low	65 Å²	65	142.9 Å²	142.9	67%	0.67	73%	0.73	S	S	*	*			cis	158.3	129.8	-12.9	0	0	0	0	0	115.7
768	D	26.8	Very low	29	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	73%	0.73	S	S	*	*			trans	82.3	149.2	142.2	-118.8	-21.1	0	0	0	123.4
769	L	28.4	Very low	29.9	Very low	146 Å²	146	137.7 Å²	137.7	76%	0.764	73%	0.732	S	S	*	*			trans	88.5	130.4	142.4	-85.5	167.3	0	0	0	125.2
770	V	27	Very low	29.9	Very low	125 Å²	125	134.3 Å²	134.3	76%	0.758	73%	0.733	S	S	*	*			trans	90	114.6	156.9	-175.6	0	0	0	0	120.2
771	H	25.2	Very low	30.1	Very low	176 Å²	176	133.1 Å²	133.1	82%	0.815	73%	0.73	S	S	*	*			trans	-105.8	158.3	159.1	-128.9	53.5	0	0	0	108.4
772	P	42.9	Very low	30.1	Very low	98 Å²	98	133.7 Å²	133.7	64%	0.636	73%	0.733	S	S	*	*				-151	137.6	114	29.5	-9.8	0	0	0	117.4
773	H	32.3	Very low	30.2	Very low	151 Å²	151	132.1 Å²	132.1	70%	0.699	73%	0.729	S	S	*	*			trans	49.2	152.5	135.8	-53.7	-57.3	0	0	0	121.9
774	H	31.4	Very low	30.4	Very low	147 Å²	147	134.6 Å²	134.6	68%	0.681	74%	0.736	S	S	*	*			cis	-172.5	162.4	-14.9	-107.9	-39.1	0	0	0	107.4
775	H	29.9	Very low	30.3	Very low	116 Å²	116	129 Å²	129	54%	0.537	73%	0.726	S	S	.	*			cis	-138.4	-145	-18.7	-147.4	-20.8	0	0	0	107.1
776	H	28.5	Very low	30.3	Very low	158 Å²	158	132.1 Å²	132.1	73%	0.731	74%	0.737	S	S	*	*			cis	-137.3	144.8	8.6	-84	-90.8	0	0	0	106.9
777	L	27.6	Very low	31.1	Very low	102 Å²	102	129.4 Å²	129.4	53%	0.534	73%	0.732	S	S	.	*				60.1	120.7	76.7	-62.3	162.3	0	0	0	113.6
778	H	31	Very low	31.3	Very low	174 Å²	174	132.6 Å²	132.6	81%	0.806	74%	0.739	S	S	*	*			cis	-139.1	165.9	12.8	-105.8	-79.4	0	0	0	113.9
779	P	45.1	Very low	31.8	Very low	114 Å²	114	131.8 Å²	131.8	74%	0.74	74%	0.742	S	S	*	*			trans	-126	166.9	-170.9	42.6	-29.6	0	0	0	117
780	S	29.8	Very low	31.8	Very low	122 Å²	122	131.7 Å²	131.7	85%	0.853	74%	0.742	S	S	*	*			trans	-165.5	155.8	147.7	53.6	0	0	0	0	114.3
781	S	30.5	Very low	32	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	74%	0.74	S	S	*	*			trans	-9.5	162	164.3	-68.6	0	0	0	0	123.2
782	E	29.6	Very low	32.2	Very low	161 Å²	161	127.3 Å²	127.3	75%	0.752	73%	0.732	S	S	*	*			cis	-178.8	169.9	-29.6	-118.9	168.7	139.2	0	0	111.3
783	L	31.3	Very low	31.8	Very low	140 Å²	140	127.7 Å²	127.7	73%	0.733	74%	0.735	S	S	*	*			trans	57.9	106.5	161.2	-91.1	74.6	0	0	0	120.8
784	S	29.4	Very low	31.6	Very low	122 Å²	122	129.5 Å²	129.5	85%	0.853	74%	0.744	S	S	*	*				39.8	129.9	107.8	-50.6	0	0	0	0	121.9
785	G	24.8	Very low	31.5	Very low	67 Å²	67	130.4 Å²	130.4	69%	0.691	75%	0.752	S	S	*	*			trans	155.3	94.7	133.6	0	0	0	0	0	121
786	L	29.9	Very low	31.6	Very low	175 Å²	175	130.7 Å²	130.7	92%	0.916	77%	0.765	S	S	*	*			trans	59.5	-169.5	140	-62.6	172.3	0	0	0	116.6
787	P	44.3	Very low	31.7	Very low	113 Å²	113	131 Å²	131	73%	0.734	77%	0.77	S	S	*	*			cis	-122.5	170.6	-22.8	15.4	8.5	0	0	0	114.6
788	T	31.1	Very low	31.8	Very low	133 Å²	133	135.3 Å²	135.3	82%	0.816	79%	0.785	S	S	*	*			trans	-76.6	136.7	156.6	45.4	0	0	0	0	111.2
789	P	37	Very low	31.6	Very low	130 Å²	130	132.4 Å²	132.4	84%	0.844	78%	0.784	S	S	*	*			trans	-84.8	133.6	170.1	33.3	-31.5	0	0	0	111.3
790	D	29.8	Very low	30.8	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	79%	0.789	S	S	*	*			trans	-139.8	144.7	173.9	-161	-26.1	0	0	0	109.4
791	S	30.6	Very low	30.8	Very low	104 Å²	104	139 Å²	139	73%	0.727	79%	0.79	S	S	*	*			trans	54.5	107.2	164.6	-65	0	0	0	0	119.1
792	T	30.1	Very low	30.7	Very low	105 Å²	105	138.6 Å²	138.6	64%	0.644	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-58.9	133.8	170.9	-60.4	0	0	0	0	112.7
793	P	32.8	Very low	30.5	Very low	106 Å²	106	140.5 Å²	140.5	69%	0.688	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80.4	141.2	178.2	31.7	-35.4	0	0	0	113.6
794	E	28.6	Very low	30.4	Very low	190 Å²	190	141.8 Å²	141.8	89%	0.888	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.2	152	164.5	-63.5	-168.6	137.1	0	0	111.9
795	L	29.1	Very low	30.3	Very low	165 Å²	165	143.4 Å²	143.4	86%	0.864	80%	0.798	S	S	*	*			trans	-105.5	130.7	165.2	-86.4	172	0	0	0	110.5	I797	L795-I797 PolarHBondContact O-N 2.85Å
796	P	31.7	Very low	30.3	Very low	123 Å²	123	146.7 Å²	146.7	80%	0.799	80%	0.795	S	S	*	*			trans	-66.5	132.8	-171.8	-24.1	34.5	0	0	0	115.2	K798	P796-K798 PolarHBondContact O-N 2.91Å
797	I	30.8	Very low	30.2	Very low	163 Å²	163	149 Å²	149	84%	0.836	79%	0.792	S	S	*	*			trans	-69.7	127	168.6	-67.6	173.2	0	0	0	110.1	L795 S799	L795-I797 PolarHBondContact O-N 2.85Å; I797-S799 PolarHBondContact O-N 2.66Å
798	K	29.9	Very low	29.4	Very low	194 Å²	194	150.6 Å²	150.6	84%	0.843	79%	0.789	S	S	*	*			trans	-77.4	80.3	-178.1	-168	177.4	-174.5	177.2	0	111.7	P796 M800	P796-K798 PolarHBondContact O-N 2.91Å; K798-M800 PolarHBondContact O-N 3.26Å; K798-M800 VanDerWaalsContact O-N 3.14Å
799	S	28	Very low	29.3	Very low	113 Å²	113	152 Å²	152	79%	0.79	78%	0.784	S	S	*	*			trans	-70.3	105.5	179.6	65.6	0	0	0	0	112.4	I797	I797-S799 PolarHBondContact O-N 2.66Å
800	M	28.3	Very low	28.7	Very low	173 Å²	173	152.7 Å²	152.7	85%	0.852	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-88.1	132.4	159.1	-71	-152.1	-62.8	0	0	109.9	K798 A802	K798-M800 PolarHBondContact O-N 3.26Å; K798-M800 VanDerWaalsContact O-N 3.14Å; M800-A802 PolarHBondContact O-N 2.76Å
801	K	28.4	Very low	28.6	Very low	201 Å²	201	153.9 Å²	153.9	87%	0.874	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.2	119.3	-177.2	-141.6	174.5	-171.5	177.7	0	109.2
802	A	29.1	Very low	28.5	Very low	89 Å²	89	156.4 Å²	156.4	74%	0.736	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.7	148.9	172.6	0	0	0	0	0	110.8	M800	M800-A802 PolarHBondContact O-N 2.76Å
803	F	26.1	Very low	28.3	Very low	201 Å²	201	157.3 Å²	157.3	88%	0.882	80%	0.796	S	S	*	*			trans	-125.8	129.8	152.5	-113.2	-81.8	0	0	0	110.7
804	K	27.9	Very low	28	Very low	167 Å²	167	159.2 Å²	159.2	73%	0.726	80%	0.801	S	S	*	*			trans	-75.5	137.2	175.2	174	-171.6	176.5	-176.3	0	108.7
805	N	28.2	Very low	28.1	Very low	156 Å²	156	157.2 Å²	157.2	83%	0.834	80%	0.796	S	S	*	*				-169.1	161.8	125.9	-94.8	-12.3	0	0	0	113.4
806	Q	25.5	Very low	28	Very low	137 Å²	137	153.9 Å²	153.9	64%	0.64	79%	0.793	S	S	*	*			trans	-121.8	134.6	-169.6	167.5	-168.6	-2	0	0	106.7
807	W	26.9	Very low	27.7	Very low	222 Å²	222	157.6 Å²	157.6	84%	0.841	80%	0.796	S	S	*	*				177.6	166	127.6	-122.8	-90	0	0	0	112.1
808	E	27.5	Very low	27.4	Very low	147 Å²	147	157.9 Å²	157.9	69%	0.687	79%	0.794	S	S	*	*			trans	-84.5	153	177.1	-83.3	-170.5	84.2	0	0	114.9
809	K	28.2	Very low	27.6	Very low	164 Å²	164	152.7 Å²	152.7	71%	0.713	78%	0.78	S	S	*	*			trans	70.6	115	148.4	-83	173.5	-178.3	116.2	0	121.9
810	N	26.2	Very low	27.5	Very low	143 Å²	143	156.4 Å²	156.4	77%	0.765	78%	0.782	S	S	*	*				97.3	128.8	129.4	-79.5	6.5	0	0	0	122.4
811	Q	26.8	Very low	27.3	Very low	169 Å²	169	152.9 Å²	152.9	79%	0.79	77%	0.774	S	S	*	*			trans	80.7	118.5	150.7	-75.1	-176.2	-19.7	0	0	122.1
812	N	28.4	Very low	27.2	Very low	156 Å²	156	151 Å²	151	83%	0.834	77%	0.768	S	S	*	*			trans	56.8	130.8	146.1	-66.9	11.3	0	0	0	121.6
813	C	25.5	Very low	26.9	Very low	124 Å²	124	153.1 Å²	153.1	84%	0.838	77%	0.767	S	S	*	*			trans	-104.5	156.3	169.3	-61.7	0	0	0	0	111
814	N	27.8	Very low	26.8	Very low	147 Å²	147	150.8 Å²	150.8	79%	0.786	76%	0.762	S	S	*	*			trans	-161.3	125.6	145.7	-111.6	-32.2	0	0	0	113
815	N	29.8	Very low	26.6	Very low	147 Å²	147	147.8 Å²	147.8	79%	0.786	76%	0.762	S	S	*	*			trans	39.3	119.9	148.5	-54.3	-31.2	0	0	0	121.8
816	A	27.2	Very low	26.4	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	76%	0.756	S	S	*	*				160.2	141.3	93.4	0	0	0	0	0	116.1
817	K	25.2	Very low	26.6	Very low	201 Å²	201	149.7 Å²	149.7	87%	0.874	77%	0.767	S	S	*	*			trans	30.5	119.4	151.5	-70.5	-179.6	172.8	178.9	0	122.8
818	E	24.1	Very low	27.4	Very low	169 Å²	169	142.3 Å²	142.3	79%	0.79	75%	0.748	S	S	*	*				25	161.2	105	-93.6	-161.9	-167.3	0	0	122.3
819	P	34.7	Very low	27.5	Very low	84 Å²	84	139.5 Å²	139.5	55%	0.545	75%	0.745	S	S	.	*			cis	-144.8	178.1	-11.8	38.2	-18.4	0	0	0	117.7
820	K	25.5	Very low	27.7	Very low	192 Å²	192	136.6 Å²	136.6	84%	0.835	75%	0.745	S	S	*	*			trans	69.2	154.9	150.2	-77.4	155.6	-168.8	168.8	0	118.2
821	S	24.3	Very low	27.9	Very low	98 Å²	98	134 Å²	134	69%	0.685	74%	0.744	S	S	*	*			cis	-161.9	149.1	2.7	42.4	0	0	0	0	115.3
822	H	25.5	Very low	28.1	Very low	163 Å²	163	133.1 Å²	133.1	76%	0.755	74%	0.743	S	S	*	*			trans	55.8	120.5	140.9	-74.3	-63.8	0	0	0	125.9
823	N	24.3	Very low	28	Very low	132 Å²	132	133 Å²	133	71%	0.706	74%	0.741	S	S	*	*				101.6	141.2	119	-75.6	7.1	0	0	0	124.6
824	I	24.1	Very low	29	Very low	153 Å²	153	131.4 Å²	131.4	79%	0.785	73%	0.73	S	S	*	*			trans	84	90.5	153.2	-65.4	154.5	0	0	0	120.5
825	S	23.1	Very low	29.1	Very low	104 Å²	104	132 Å²	132	73%	0.727	73%	0.728	S	S	*	*				63.2	144.9	115.4	-155.8	0	0	0	0	125.3
826	S	24.3	Very low	29.1	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	73%	0.725	S	S	*	*			trans	101.4	126	145.4	-34.1	0	0	0	0	120.1
827	R	30.1	Very low	29	Very low	233 Å²	233	133.9 Å²	133.9	88%	0.879	72%	0.724	S	S	*	*			trans	-98	-152.2	161.8	-63.4	172	143.8	-175.1	-5.4	108.4
828	P	42.8	Very low	29.4	Very low	67 Å²	67	133.3 Å²	133.3	44%	0.435	72%	0.722	S	S	.	*			cis	-142.9	-154.4	-7.8	37.8	-11.8	0	0	0	116	V688	V688-P828 WeakPolarHBondContact CG2-O 3.43Å
829	S	30.5	Very low	30.5	Very low	88 Å²	88	131.2 Å²	131.2	62%	0.615	72%	0.723	S	S	*	*			trans	-96.2	-162.4	-172.7	-47.3	0	0	0	0	114.2
830	S	31.7	Very low	30.2	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	74%	0.737	S	S	*	*			cis	-172.4	-166	44.6	-61.9	0	0	0	0	112.8
831	A	30.9	Very low	30.5	Very low	89 Å²	89	132.9 Å²	132.9	74%	0.736	73%	0.729	S	S	*	*			trans	80.8	157.6	152.7	0	0	0	0	0	120.5
832	L	29.8	Very low	30.8	Very low	149 Å²	149	136.9 Å²	136.9	78%	0.78	74%	0.737	S	S	*	*			cis	-168.1	145.3	-11.4	-108	167.8	0	0	0	114
833	L	26.7	Very low	30.9	Very low	153 Å²	153	132.3 Å²	132.3	80%	0.801	73%	0.734	S	S	*	*			trans	28.2	-170.8	144	-81.1	176.1	0	0	0	124.4
834	P	47	Very low	31.1	Very low	92 Å²	92	134.7 Å²	134.7	60%	0.597	75%	0.746	S	S	*	*			cis	-141	177.1	-9.3	23.3	3.8	0	0	0	121
835	Q	29.6	Very low	31.3	Very low	159 Å²	159	132.8 Å²	132.8	74%	0.743	75%	0.746	S	S	*	*			trans	69.9	164.7	144.1	-81	165.9	-93.9	0	0	122.4
836	Q	29.5	Very low	31.7	Very low	156 Å²	156	136 Å²	136	73%	0.729	76%	0.755	S	S	*	*			cis	-173.2	177.6	-20.8	-117.8	172.6	-17.7	0	0	110
837	V	25.7	Very low	31.9	Very low	127 Å²	127	135 Å²	135	77%	0.77	76%	0.76	S	S	*	*			cis	-162.6	-163.4	-8.1	74.8	0	0	0	0	111.8
838	F	34	Very low	32	Very low	188 Å²	188	133 Å²	133	83%	0.825	76%	0.76	S	S	*	*			trans	-122.8	173.6	-173.5	-78	-88.4	0	0	0	116.7
839	P	46.3	Very low	32.4	Very low	126 Å²	126	134.9 Å²	134.9	82%	0.818	77%	0.773	S	S	*	*				-150	-165.5	111.1	38.8	-18.7	0	0	0	119.1
840	Y	28.8	Very low	32.4	Very low	214 Å²	214	136.7 Å²	136.7	84%	0.839	78%	0.78	S	S	*	*			trans	-96.9	-177.3	-156.1	-83.1	-98.8	0	0	0	118.2
841	S	30.6	Very low	32.2	Very low	96 Å²	96	138.7 Å²	138.7	67%	0.671	79%	0.788	S	S	*	*			cis	-178.5	153	45.7	51.4	0	0	0	0	119.9
842	H	30.6	Very low	32	Very low	183 Å²	183	138 Å²	138	85%	0.847	79%	0.79	S	S	*	*			trans	38	157.7	149.2	-54.2	-59.6	0	0	0	125.8
843	G	27.6	Very low	31.9	Very low	67 Å²	67	139.8 Å²	139.8	69%	0.691	79%	0.793	S	S	*	*			cis	164.4	171.5	-8.5	0	0	0	0	0	117.3
844	L	30.3	Very low	31.9	Very low	181 Å²	181	140.2 Å²	140.2	95%	0.948	80%	0.795	S	S	*	*			trans	73.5	156.8	167.6	-60.2	168.8	0	0	0	119.5
845	S	28.2	Very low	31.1	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	80%	0.801	S	S	*	*			cis	-153.8	-174.5	7.3	-158.1	0	0	0	0	114.6
846	N	31	Very low	31.7	Very low	170 Å²	170	141.3 Å²	141.3	91%	0.909	80%	0.803	S	S	*	*			trans	-100.3	164.3	-169.1	-76.6	-19.7	0	0	0	118.3
847	G	28.3	Very low	31.6	Very low	79 Å²	79	140 Å²	140	81%	0.814	80%	0.797	S	S	*	*			trans	175.8	143.3	160.1	0	0	0	0	0	118.3
848	H	31.7	Very low	31.7	Very low	191 Å²	191	139.7 Å²	139.7	88%	0.884	79%	0.787	S	S	*	*			trans	-142.4	178.5	178.6	-100.6	-52.5	0	0	0	108.7
849	P	52.1	Low	31.5	Very low	108 Å²	108	139.2 Å²	139.2	70%	0.701	78%	0.779	S	S	*	*			cis	-136	-157.8	-14.6	26.9	-0.2	0	0	0	114.2
850	V	29.7	Very low	30.5	Very low	126 Å²	126	142.6 Å²	142.6	76%	0.764	78%	0.781	S	S	*	*			trans	102.3	112.6	152	-174	0	0	0	0	121.3
851	V	28.1	Very low	30.7	Very low	145 Å²	145	139.2 Å²	139.2	88%	0.879	78%	0.776	S	S	*	*			trans	31	129.2	140.7	-173.1	0	0	0	0	122.1
852	G	26.7	Very low	30.5	Very low	75 Å²	75	143.8 Å²	143.8	77%	0.773	79%	0.787	S	S	*	*			trans	-170.6	148.1	159	0	0	0	0	0	112.7
853	H	27.1	Very low	30.6	Very low	185 Å²	185	141.9 Å²	141.9	86%	0.856	78%	0.783	S	S	*	*			trans	-126.1	163.9	-172.5	-132.8	-72.2	0	0	0	112
854	L	27.7	Very low	30.8	Very low	162 Å²	162	143.8 Å²	143.8	85%	0.848	78%	0.781	S	S	*	*			trans	97.9	132.9	159.5	-67.2	152.9	0	0	0	121
855	H	29.2	Very low	30.8	Very low	155 Å²	155	141.4 Å²	141.4	72%	0.718	77%	0.765	S	S	*	*			trans	-85.6	158.7	158.9	-135.7	-105.7	0	0	0	108.5	E857	H855-E857 PolarHBondContact ND1-N 2.73Å
856	P	41.9	Very low	31	Very low	119 Å²	119	145 Å²	145	77%	0.773	76%	0.761	S	S	*	*				-134.7	150.3	75.2	23.2	-1.7	0	0	0	113
857	E	28.7	Very low	30.8	Very low	129 Å²	129	143.1 Å²	143.1	60%	0.603	76%	0.755	S	S	*	*				61.4	110.9	67.2	-146.5	-154	157.9	0	0	116.2	H855 R859	H855-E857 PolarHBondContact ND1-N 2.73Å; E857-R859 IonicContact OE1-NH2 3.03Å
858	E	27.4	Very low	30.7	Very low	121 Å²	121	147.1 Å²	147.1	57%	0.565	76%	0.757	S	S	*	*				170.4	124.3	113.1	-93.1	-150	-169.5	0	0	114.7
859	R	30.2	Very low	30.5	Very low	177 Å²	177	142.7 Å²	142.7	67%	0.668	75%	0.754	S	S	*	*			trans	59.8	164.5	136.6	-53.5	-173.3	-171.4	131.7	12.5	118.5	E857	E857-R859 IonicContact OE1-NH2 3.03Å
860	K	25.5	Very low	29.3	Very low	197 Å²	197	144.7 Å²	144.7	86%	0.857	75%	0.753	S	S	*	*			cis	-150.3	160.5	12.3	-150.4	163.6	-173.4	173.3	0	112
861	I	32.5	Very low	29.7	Very low	143 Å²	143	144.7 Å²	144.7	73%	0.733	76%	0.756	S	S	*	*			trans	-90.2	153	-178.3	-59.8	156	0	0	0	111.4
862	H	26.2	Very low	29.6	Very low	193 Å²	193	146.9 Å²	146.9	89%	0.894	75%	0.75	S	S	*	*			trans	-144.4	169.2	138.9	-111	65.2	0	0	0	111.9
863	N	32.3	Very low	30.3	Very low	143 Å²	143	148.6 Å²	148.6	77%	0.765	75%	0.747	S	S	*	*			trans	-145.7	-172.9	-155.5	-170.2	11.1	0	0	0	111.5
864	V	32.8	Very low	30.1	Very low	106 Å²	106	145.3 Å²	145.3	64%	0.642	75%	0.745	S	S	*	*			trans	112.3	90.5	156.2	-174.7	0	0	0	0	118.5
865	E	30.3	Very low	30.1	Very low	132 Å²	132	147.8 Å²	147.8	62%	0.617	75%	0.745	S	S	*	*				73	146	123.2	-66.5	-163.2	99.6	0	0	127.7
866	R	30.7	Very low	30.6	Very low	189 Å²	189	145.8 Å²	145.8	71%	0.713	75%	0.746	S	S	*	*			trans	88.5	89.4	142.5	-82.8	173.8	-159.3	109	12.1	123.5
867	V	28.2	Very low	29.9	Very low	131 Å²	131	148 Å²	148	79%	0.794	75%	0.745	S	S	*	*				45.6	118.9	106.8	179.4	0	0	0	0	120.1
868	L	26.7	Very low	29.8	Very low	163 Å²	163	150.2 Å²	150.2	85%	0.853	75%	0.753	S	S	*	*				-173.9	153.7	123.7	-109.4	168.6	0	0	0	115.6
869	A	26.6	Very low	29.8	Very low	98 Å²	98	150.6 Å²	150.6	81%	0.81	76%	0.764	S	S	*	*			trans	72.2	151.5	153.4	0	0	0	0	0	122.5
870	Q	26.9	Very low	29.6	Very low	149 Å²	149	150 Å²	150	70%	0.696	77%	0.77	S	S	*	*			trans	-138.2	155.1	179.5	-165	-173.2	22	0	0	107.8
871	P	38.7	Very low	29.6	Very low	126 Å²	126	149 Å²	149	82%	0.818	77%	0.769	S	S	*	*				-148	168	115.8	36	-19	0	0	0	116.2
872	Y	24.6	Very low	29.6	Very low	192 Å²	192	147.2 Å²	147.2	75%	0.753	76%	0.764	S	S	*	*			trans	-78.4	173.6	169.3	-94	-77.5	0	0	0	111.6
873	P	42.2	Very low	29.9	Very low	111 Å²	111	144.2 Å²	144.2	72%	0.721	76%	0.76	S	S	*	*			cis	-152.1	-178	39.5	43.8	-21.7	0	0	0	120.9
874	S	23.5	Very low	30.1	Very low	116 Å²	116	142.3 Å²	142.3	81%	0.811	76%	0.758	S	S	*	*			trans	100.4	141.9	149.2	-60.4	0	0	0	0	121.1
875	Y	26.4	Very low	30.3	Very low	213 Å²	213	144.8 Å²	144.8	84%	0.835	77%	0.767	S	S	*	*			trans	-122.6	163.1	-171.8	-104.9	-72.6	0	0	0	111
876	P	40.3	Very low	30.5	Very low	114 Å²	114	146.4 Å²	146.4	74%	0.74	78%	0.779	S	S	*	*				-125.4	145	93.5	2.1	20.3	0	0	0	112.7
877	Q	27.4	Very low	30.9	Very low	164 Å²	164	146.5 Å²	146.5	77%	0.766	79%	0.788	S	S	*	*				49.4	133.1	84.3	-68	-166.2	4.8	0	0	114.5
878	K	27.1	Very low	31.3	Very low	177 Å²	177	147.7 Å²	147.7	77%	0.77	79%	0.789	S	S	*	*			cis	-165.3	166.4	-2.8	-132.9	-175.7	175.1	-175	0	106.7
879	V	27.1	Very low	32	Very low	129 Å²	129	148.3 Å²	148.3	78%	0.782	79%	0.792	S	S	*	*			cis	-139.5	-167.5	8	-147.7	0	0	0	0	108.9
880	M	26	Very low	32.2	Very low	164 Å²	164	152.3 Å²	152.3	81%	0.808	79%	0.791	S	S	*	*			trans	-146.8	146.5	168.3	-174.4	176.6	74.7	0	0	108.7	V882	M880-V882 HydrophobicContact CE-CG2 4Å
881	E	26.1	Very low	32.5	Very low	176 Å²	176	152.9 Å²	152.9	82%	0.822	79%	0.794	S	S	*	*			trans	-114.6	128.4	-179.7	-172.2	169.1	-152.9	0	0	111.4
882	V	31.3	Very low	32.2	Very low	106 Å²	106	154.6 Å²	154.6	64%	0.642	79%	0.794	S	S	*	*			trans	-145.5	130.8	178.6	176.7	0	0	0	0	107.9	M880	M880-V882 HydrophobicContact CE-CG2 4Å
883	T	32.3	Very low	32.3	Very low	129 Å²	129	152.6 Å²	152.6	79%	0.791	79%	0.792	S	S	*	*			trans	-138.1	76.4	-177.5	41.9	0	0	0	0	112.4
884	S	37.7	Very low	31.6	Very low	104 Å²	104	153.9 Å²	153.9	73%	0.727	79%	0.792	S	S	*	*			trans	-93.3	117.7	162.5	52.9	0	0	0	0	110	D886	S884-D886 PolarHBondContact O-N 3.4Å
885	L	36.3	Very low	32.6	Very low	158 Å²	158	153.3 Å²	153.3	83%	0.827	79%	0.786	S	S	*	*	S	Bend	trans	-85.4	86.6	-170.5	-177.5	70.4	0	0	0	112.5
886	D	35.1	Very low	32.7	Very low	166 Å²	166	151 Å²	151	89%	0.888	79%	0.788	S	S	*	*			trans	-139.4	5.4	170.7	-102.2	-46.5	0	0	0	114.2	S884	S884-D886 PolarHBondContact O-N 3.4Å
887	E	39.2	Very low	32.1	Very low	191 Å²	191	148.6 Å²	148.6	89%	0.893	78%	0.784	S	S	*	*	S	Bend	trans	-122.2	51.3	-174.6	-159.2	171	-144.6	0	0	113.3
888	L	36.1	Very low	32.2	Very low	156 Å²	156	146 Å²	146	82%	0.817	78%	0.784	S	S	*	*	S	Bend	trans	-141.4	29.9	174.4	-151.7	93.8	0	0	0	115.3
889	L	41.1	Very low	32.3	Very low	175 Å²	175	146.4 Å²	146.4	92%	0.916	79%	0.786	S	S	*	*	S	Bend	trans	-139.5	40.3	174.8	-108.6	175.9	0	0	0	114.5
890	K	30.6	Very low	32.3	Very low	182 Å²	182	146 Å²	146	79%	0.791	78%	0.784	S	S	*	*	S	Bend	trans	-151.9	140	166.7	-132.4	170.1	-175.3	175	0	111.6
891	H	33.3	Very low	32.3	Very low	162 Å²	162	142.8 Å²	142.8	75%	0.75	78%	0.777	S	S	*	*			trans	74.8	75.8	-178.1	-47.7	102.7	0	0	0	116.9
892	I	31.6	Very low	32.4	Very low	161 Å²	161	142.6 Å²	142.6	83%	0.826	78%	0.776	S	S	*	*			trans	-112.5	153.5	130.9	-65.2	177.9	0	0	0	105.7
893	H	27.8	Very low	32.1	Very low	151 Å²	151	143.7 Å²	143.7	70%	0.699	78%	0.778	S	S	*	*			trans	78.7	131.7	-154.6	-64.1	-81.6	0	0	0	112
894	D	27.2	Very low	31.9	Very low	138 Å²	138	145.3 Å²	145.3	74%	0.738	78%	0.779	S	S	*	*			cis	-161.6	-176.7	12.2	-105.6	-17.3	0	0	0	108.9
895	P	45.1	Very low	31.4	Very low	103 Å²	103	145 Å²	145	67%	0.669	78%	0.777	S	S	*	*			cis	-134.7	-156.8	-20.3	34.3	-12	0	0	0	113.3
896	N	27.3	Very low	31.9	Very low	164 Å²	164	142.8 Å²	142.8	88%	0.877	77%	0.771	S	S	*	*			trans	78.9	132	171.8	-70.6	-22.9	0	0	0	118.5
897	G	28.4	Very low	31.7	Very low	64 Å²	64	140.7 Å²	140.7	66%	0.66	77%	0.769	S	S	*	*			cis	172.9	149.2	-11.5	0	0	0	0	0	117.9
898	S	29	Very low	31.2	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	76%	0.758	S	S	*	*			trans	88.6	144.3	157.4	89.4	0	0	0	0	121.7
899	K	28.8	Very low	31.1	Very low	187 Å²	187	135 Å²	135	81%	0.813	76%	0.761	S	S	*	*			trans	86	98.1	152.3	-69.3	173.6	-177.9	176.5	0	122.1
900	T	27.6	Very low	30.7	Very low	121 Å²	121	134.5 Å²	134.5	74%	0.742	76%	0.755	S	S	*	*				90.2	114.7	114.6	-54.7	0	0	0	0	120.4
901	S	27.2	Very low	30.7	Very low	96 Å²	96	129.7 Å²	129.7	67%	0.671	75%	0.749	S	S	*	*			trans	12	152.6	139.4	80.9	0	0	0	0	121.1
902	Q	26.8	Very low	30.8	Very low	171 Å²	171	127.7 Å²	127.7	80%	0.799	75%	0.754	S	S	*	*			cis	-169.7	164.8	9.7	-133.5	172.7	11.6	0	0	111
903	L	26.6	Very low	30.5	Very low	129 Å²	129	123.8 Å²	123.8	68%	0.675	75%	0.753	S	S	*	*			trans	51.8	116.8	137.7	-163.4	72	0	0	0	120.5
904	M	26.6	Very low	30.4	Very low	164 Å²	164	120.7 Å²	120.7	81%	0.808	76%	0.762	S	S	*	*				-174.1	137.6	114.9	-100.3	-59.2	168.8	0	0	114.2
905	S	28.2	Very low	30.5	Very low	98 Å²	98	118.3 Å²	118.3	69%	0.685	77%	0.77	S	S	*	*			trans	-102.8	-163	164	-51.5	0	0	0	0	107.3
906	P	46.9	Very low	29.6	Very low	110 Å²	110	117.3 Å²	117.3	71%	0.714	78%	0.779	S	S	*	*			cis	-145.2	-174.3	3.2	45.6	-26	0	0	0	117.6
907	S	30.8	Very low	29.5	Very low	122 Å²	122	118.1 Å²	118.1	85%	0.853	78%	0.777	S	S	*	*			trans	66.9	141.4	149.5	-60.6	0	0	0	0	121.2
908	G	28	Very low	29.6	Very low	64 Å²	64	122.2 Å²	122.2	66%	0.66	78%	0.783	S	S	*	*			cis	159.9	174.4	-9.6	0	0	0	0	0	115
909	L	34.6	Very low	29.5	Very low	165 Å²	165	122.9 Å²	122.9	86%	0.864	78%	0.783	S	S	*	*			trans	69.2	143.2	167.3	-50.5	169.8	0	0	0	116
910	M	33.4	Very low	29.4	Very low	163 Å²	163	123 Å²	123	80%	0.803	78%	0.784	S	S	*	*			cis	-161.3	169.4	-9	-105.7	-66.8	-172.1	0	0	106.4
911	A	30.3	Very low	29.4	Very low	81 Å²	81	121.8 Å²	121.8	67%	0.669	79%	0.786	S	S	*	*			cis	-141.4	174.5	3.7	0	0	0	0	0	108.4
912	S	33.6	Very low	29.5	Very low	121 Å²	121	123.6 Å²	123.6	85%	0.846	79%	0.788	S	S	*	*			cis	73.8	122.3	46.9	-143.5	0	0	0	0	115
913	G	26.8	Very low	29.6	Very low	78 Å²	78	125.7 Å²	125.7	80%	0.804	79%	0.788	S	S	*	*			cis	-163.4	-172.8	-3.1	0	0	0	0	0	109.4
914	G	25.8	Very low	29.7	Very low	87 Å²	87	126.6 Å²	126.6	90%	0.897	79%	0.792	S	S	*	*			cis	174	173.6	-0.2	0	0	0	0	0	107.1
915	G	27.8	Very low	29.9	Very low	87 Å²	87	126.5 Å²	126.5	90%	0.897	79%	0.79	S	S	*	*			cis	170	153.1	-5.4	0	0	0	0	0	109.6
916	G	26.9	Very low	30.5	Very low	83 Å²	83	127.1 Å²	127.1	86%	0.856	79%	0.791	S	S	*	*			trans	150.2	134.1	172.6	0	0	0	0	0	116.2
917	Q	26.5	Very low	29.6	Very low	181 Å²	181	129.4 Å²	129.4	85%	0.846	79%	0.792	S	S	*	*			trans	-159.9	164.5	178.3	-164.1	176	3.2	0	0	110.3
918	L	29.3	Very low	29.6	Very low	149 Å²	149	130.2 Å²	130.2	78%	0.78	79%	0.786	S	S	*	*			trans	83.4	131.3	174.6	-50.7	174.6	0	0	0	114.9
919	V	26.3	Very low	29.9	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	79%	0.788	S	S	*	*			cis	95.9	126.3	37.9	164.9	0	0	0	0	111.3
920	F	26.6	Very low	29.6	Very low	190 Å²	190	134 Å²	134	83%	0.833	79%	0.791	S	S	*	*			cis	-158.7	165.8	10.7	-144.4	-133.3	0	0	0	113.1
921	A	28.8	Very low	29.6	Very low	95 Å²	95	133.3 Å²	133.3	79%	0.785	80%	0.796	S	S	*	*			trans	-160.5	170.7	167.4	0	0	0	0	0	114.9
922	N	28.6	Very low	29.6	Very low	134 Å²	134	138.8 Å²	138.8	72%	0.717	81%	0.808	S	S	*	*			trans	-120.9	146.6	-161.3	-96.8	-57.4	0	0	0	116.9
923	R	28.4	Very low	29.3	Very low	215 Å²	215	138 Å²	138	81%	0.811	80%	0.803	S	S	*	*			trans	57.6	148.5	141.5	-65.2	179.1	167	176.8	-3.9	120.4
924	I	29.3	Very low	29.3	Very low	147 Å²	147	139.3 Å²	139.3	75%	0.754	81%	0.806	S	S	*	*			cis	-155.1	162.4	-5.7	-115.1	164.1	0	0	0	111.3
925	Q	30.9	Very low	29.7	Very low	163 Å²	163	140.3 Å²	140.3	76%	0.762	80%	0.797	S	S	*	*			trans	-63.5	165.3	178.9	-87.3	-179.3	-26.3	0	0	116.5
926	P	41	Very low	29.7	Very low	110 Å²	110	146.3 Å²	146.3	71%	0.714	79%	0.794	S	S	*	*				-103	-165	74.5	-12.2	31.6	0	0	0	113.7
927	Q	27.5	Very low	29.7	Very low	158 Å²	158	153.4 Å²	153.4	74%	0.738	80%	0.797	S	S	*	*			cis	174.2	167.7	-43	-94.5	-176.8	-25.4	0	0	107.1
928	I	30.5	Very low	29.6	Very low	139 Å²	139	149.7 Å²	149.7	71%	0.713	79%	0.791	S	S	*	*			cis	179.1	160.5	-25.2	-155.5	167	0	0	0	105.7
929	P	35.6	Very low	29.6	Very low	110 Å²	110	148.9 Å²	148.9	71%	0.714	80%	0.797	S	S	*	*			cis	-120.8	166	-3.7	41.6	-28.1	0	0	0	115.5
930	E	28.3	Very low	29.9	Very low	199 Å²	199	148.2 Å²	148.2	93%	0.93	80%	0.798	S	S	*	*			trans	-133.3	146.7	158	-69.4	-170.7	146.3	0	0	109.7
931	T	32.8	Very low	30.1	Very low	148 Å²	148	146 Å²	146	91%	0.908	80%	0.8	S	S	*	*			trans	-95.3	120.4	178.2	43.7	0	0	0	0	111.1
932	E	30.1	Very low	30.5	Very low	196 Å²	196	149.6 Å²	149.6	92%	0.916	81%	0.805	S	S	*	*			trans	-75	156.4	-175.2	-168.9	168.9	-167.7	0	0	113.6
933	S	27.7	Very low	30.7	Very low	104 Å²	104	149.1 Å²	149.1	73%	0.727	81%	0.81	S	S	*	*			trans	-117.9	138.2	178.2	61.8	0	0	0	0	111	P935	S933-P935 WeakPolarHBondContact O-CD 3.49Å
934	A	26	Very low	30.7	Very low	106 Å²	106	149.3 Å²	149.3	88%	0.876	81%	0.81	S	S	*	*			trans	-94.6	121.4	-176.9	0	0	0	0	0	111.9
935	P	35.6	Very low	30.9	Very low	109 Å²	109	147.6 Å²	147.6	71%	0.708	80%	0.803	S	S	*	*			trans	-92.5	156.2	177.7	35.4	-34.2	0	0	0	114.1	S933	S933-P935 WeakPolarHBondContact O-CD 3.49Å
936	Y	27.9	Very low	30.8	Very low	213 Å²	213	145.1 Å²	145.1	84%	0.835	80%	0.803	S	S	*	*			trans	-17.4	137.9	165.8	-64.3	-96.9	0	0	0	119.1
937	Y	25.1	Very low	30.4	Very low	232 Å²	232	147.9 Å²	147.9	91%	0.91	81%	0.811	S	S	*	*			trans	-134	135.8	144.4	-95.4	-82.8	0	0	0	111.9
938	S	25.6	Very low	30.7	Very low	103 Å²	103	146 Å²	146	72%	0.72	81%	0.811	S	S	*	*			trans	-125.1	128.9	169.7	-63.1	0	0	0	0	108.5
939	S	29	Very low	30.6	Very low	132 Å²	132	150.7 Å²	150.7	92%	0.923	82%	0.819	S	S	*	*			trans	178	158.5	148.6	-86.3	0	0	0	0	112.3
940	S	32.7	Very low	30.3	Very low	110 Å²	110	156.2 Å²	156.2	77%	0.769	83%	0.826	S	S	*	*			trans	-119.1	129	173.1	55.1	0	0	0	0	110.6
941	T	31.3	Very low	30.3	Very low	142 Å²	142	154.1 Å²	154.1	87%	0.871	82%	0.818	S	S	*	*			trans	-156	148	162.8	29.5	0	0	0	0	111.7
942	L	36.9	Very low	30	Very low	171 Å²	171	153.5 Å²	153.5	90%	0.895	81%	0.809	S	S	*	*			trans	-96.8	157.6	165.1	-66.6	166.7	0	0	0	109.7
943	P	32.5	Very low	30	Very low	124 Å²	124	150.2 Å²	150.2	81%	0.805	80%	0.802	S	S	*	*			trans	-142.9	155.7	146.7	37.9	-24	0	0	0	115.5
944	R	28.9	Very low	30.9	Very low	220 Å²	220	150.6 Å²	150.6	83%	0.83	80%	0.802	S	S	*	*			trans	-161.2	157.4	174.8	-69.5	-169.4	66.1	-158	-6	109.6
945	D	32.4	Very low	31.8	Very low	111 Å²	111	150.7 Å²	150.7	59%	0.594	79%	0.794	S	S	*	*			cis	-159.8	125.9	-17.7	-93.3	-7.2	0	0	0	108.3
946	S	28.8	Very low	31.5	Very low	110 Å²	110	153 Å²	153	77%	0.769	80%	0.8	S	S	*	*			trans	-166.5	112.5	167	46.2	0	0	0	0	111.8
947	L	34	Very low	31.7	Very low	168 Å²	168	150.7 Å²	150.7	88%	0.88	80%	0.801	S	S	*	*				77.8	133.6	80.5	-72.1	167.7	0	0	0	113.3
948	T	32.5	Very low	32.5	Very low	119 Å²	119	145.4 Å²	145.4	73%	0.73	80%	0.795	S	S	*	*			cis	-139.7	174.9	19.8	55.6	0	0	0	0	110.5
949	R	29.1	Very low	32.6	Very low	237 Å²	237	144.3 Å²	144.3	89%	0.894	79%	0.787	S	S	*	*			cis	-151.4	164.1	31.8	-69.7	-179.7	163.3	-178.6	-5.1	113.9
950	R	28.9	Very low	32.7	Very low	227 Å²	227	145.4 Å²	145.4	86%	0.857	78%	0.778	S	S	*	*			trans	-1	131.1	155.1	-76	-178.7	176.2	161.3	-1.2	120
951	M	27.4	Very low	32.6	Very low	154 Å²	154	146.7 Å²	146.7	76%	0.759	77%	0.771	S	S	*	*				91.8	127	74	-146.3	165.2	167.6	0	0	109.9
952	D	27.3	Very low	32.5	Very low	135 Å²	135	147.9 Å²	147.9	72%	0.722	77%	0.767	S	S	*	*				-154.3	160.3	63.4	-86.5	-61.9	0	0	0	116.8
953	V	31.2	Very low	32.1	Very low	127 Å²	127	144 Å²	144	77%	0.77	75%	0.754	S	S	*	*			trans	17.1	136.9	148	-168.3	0	0	0	0	122.8
954	P	46.6	Very low	31.9	Very low	112 Å²	112	143.6 Å²	143.6	73%	0.727	75%	0.749	S	S	*	*			trans	-96.9	179.6	173	41.2	-37.8	0	0	0	114.7
955	P	44.6	Very low	31.8	Very low	109 Å²	109	140 Å²	140	71%	0.708	75%	0.746	S	S	*	*			trans	-141.4	149.7	134.8	28.4	-9.2	0	0	0	117.5
956	D	27.8	Very low	31.6	Very low	157 Å²	157	140.5 Å²	140.5	84%	0.84	74%	0.744	S	S	*	*			trans	67.9	140.7	141.6	-56.3	-18.8	0	0	0	125.3
957	I	34	Very low	31.5	Very low	164 Å²	164	143.7 Å²	143.7	84%	0.841	74%	0.74	S	S	*	*			trans	-123.4	137.3	169.5	-60	165.5	0	0	0	106.5
958	P	40.2	Very low	31.2	Very low	121 Å²	121	145.9 Å²	145.9	79%	0.786	74%	0.736	S	S	*	*			trans	-133.8	150.7	130.6	11.5	10.1	0	0	0	115.1
959	S	28.6	Very low	31.2	Very low	80 Å²	80	148.1 Å²	148.1	56%	0.559	74%	0.738	S	S	*	*			trans	-39.2	154.6	169.8	49.9	0	0	0	0	118
960	H	30.8	Very low	31.3	Very low	156 Å²	156	141.6 Å²	141.6	72%	0.722	73%	0.729	S	S	*	*				-176.9	146.8	101.3	-91.8	-63.3	0	0	0	113.9
961	H	31.4	Very low	31.7	Very low	137 Å²	137	134.4 Å²	134.4	63%	0.634	71%	0.714	S	S	*	*			trans	52	126.9	145.7	-67.4	-55.4	0	0	0	120.7
962	Q	28	Very low	32	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	71%	0.714	S	S	*	*				58.6	137.3	88.6	-88.1	172.9	-14.9	0	0	113.6
963	S	28.3	Very low	32.5	Very low	91 Å²	91	139 Å²	139	64%	0.636	72%	0.719	S	S	*	*			cis	-171.5	171.5	5.6	-164.9	0	0	0	0	111.8
964	T	28.5	Very low	32.8	Very low	115 Å²	115	141.8 Å²	141.8	71%	0.706	72%	0.724	S	S	*	*			trans	60.7	125.9	148.3	41	0	0	0	0	123.5
965	L	27.9	Very low	31.8	Very low	144 Å²	144	141.8 Å²	141.8	75%	0.754	73%	0.726	S	S	*	*			trans	81.2	134.5	133.5	-97.8	71.5	0	0	0	123.8
966	E	27.6	Very low	31.5	Very low	121 Å²	121	144.4 Å²	144.4	57%	0.565	73%	0.733	S	S	*	*			trans	84.3	104.9	137	-81.1	-154.2	-170.2	0	0	124.1
967	R	27.1	Very low	31.8	Very low	177 Å²	177	143.9 Å²	143.9	67%	0.668	73%	0.729	S	S	*	*				65.4	111.5	103.2	-167.7	-150.8	-104	153.4	-4.9	117.6
968	R	28.2	Very low	31.7	Very low	215 Å²	215	141 Å²	141	81%	0.811	72%	0.724	S	S	*	*				178.5	158.1	113.7	-98.1	175.8	176.6	155.1	0.5	115.8
969	H	31.6	Very low	31.3	Very low	165 Å²	165	140 Å²	140	76%	0.764	73%	0.725	S	S	*	*			trans	-20.6	164.5	146.8	-55.6	-62.8	0	0	0	118.6
970	S	32.1	Very low	31.5	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	73%	0.734	S	S	*	*			cis	176.7	178.9	-18.2	60.4	0	0	0	0	111.4
971	S	36.4	Very low	31.5	Very low	76 Å²	76	139 Å²	139	53%	0.531	74%	0.736	S	S	.	*			trans	90.5	135.4	140.3	-153	0	0	0	0	122.9
972	Q	34.2	Very low	31.6	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	75%	0.746	S	S	*	*			trans	68.1	129	151.1	-75.9	157.5	-46.3	0	0	119.5
973	R	36.4	Very low	31.8	Very low	223 Å²	223	141.7 Å²	141.7	84%	0.842	75%	0.748	S	S	*	*				67.5	105.7	64.8	-73.2	-162.6	173.7	-165	-0.6	112.8
974	H	38.2	Very low	32.9	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.856	76%	0.756	S	S	*	*				86.8	126.2	75.4	-87.3	-48.5	0	0	0	114.9
975	S	26.1	Very low	33.4	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	76%	0.758	S	S	*	*			trans	-156.3	171.1	169	57.8	0	0	0	0	111.1
976	L	38	Very low	33.7	Very low	164 Å²	164	140.9 Å²	140.9	86%	0.859	76%	0.762	S	S	*	*			trans	-145.7	-179.9	-177.5	-61	174.1	0	0	0	108.5
977	I	35.3	Very low	33.9	Very low	146 Å²	146	138.8 Å²	138.8	75%	0.749	77%	0.774	S	S	*	*			cis	-156.3	-178.2	15.8	-152.8	157.3	0	0	0	112.5
978	S	31.7	Very low	34.3	Very low	105 Å²	105	135 Å²	135	73%	0.734	78%	0.78	S	S	*	*			trans	-19.6	140.4	170.3	-52.7	0	0	0	0	121.5
979	A	31.7	Very low	34.7	Very low	98 Å²	98	131.8 Å²	131.8	81%	0.81	78%	0.784	S	S	*	*				174.8	133.1	106.1	0	0	0	0	0	117.3
980	A	32.9	Very low	34.7	Very low	91 Å²	91	127.7 Å²	127.7	75%	0.752	79%	0.787	S	S	*	*			trans	67	150	135.8	0	0	0	0	0	127.1
981	T	31.1	Very low	34.6	Very low	125 Å²	125	127 Å²	127	77%	0.767	80%	0.796	S	S	*	*			trans	90.1	109	142	28.9	0	0	0	0	126.8
982	K	31.7	Very low	34.1	Very low	195 Å²	195	127.8 Å²	127.8	85%	0.848	82%	0.815	S	S	*	*				56.2	121.4	124.8	-74.5	-175.1	175.9	-179.4	0	126.5
983	M	33.3	Very low	33.7	Very low	164 Å²	164	123.7 Å²	123.7	81%	0.808	82%	0.817	S	S	*	*				13.8	139.2	125.7	-74.3	-73.6	-78	0	0	122.4
984	P	51.8	Low	33.2	Very low	123 Å²	123	122.3 Å²	122.3	80%	0.799	82%	0.822	S	S	*	*				-146.3	-177.2	100.6	37.2	-21.4	0	0	0	114.6
985	S	38	Very low	32.6	Very low	108 Å²	108	121 Å²	121	76%	0.755	82%	0.82	S	S	*	*			cis	-175	-178.8	-35.6	-167.5	0	0	0	0	110.8
986	A	33.9	Very low	33.4	Very low	102 Å²	102	120.4 Å²	120.4	84%	0.843	81%	0.813	S	S	*	*			trans	72.1	130.8	173.2	0	0	0	0	0	118.9
987	G	32.8	Very low	32.7	Very low	78 Å²	78	123 Å²	123	80%	0.804	81%	0.812	S	S	*	*			cis	-169.4	-155.1	1.3	0	0	0	0	0	109
988	A	35.6	Very low	32.5	Very low	98 Å²	98	124.4 Å²	124.4	81%	0.81	82%	0.815	S	S	*	*			cis	179.7	161	-21.6	0	0	0	0	0	107.8
989	V	35.7	Very low	32.1	Very low	146 Å²	146	127 Å²	127	89%	0.885	82%	0.815	S	S	*	*			cis	-166.2	144.6	-18.5	136.5	0	0	0	0	109
990	G	31.1	Very low	31.9	Very low	80 Å²	80	126.5 Å²	126.5	83%	0.825	81%	0.806	S	S	*	*			trans	98.8	139	157.9	0	0	0	0	0	119.1
991	G	29.9	Very low	31.5	Very low	87 Å²	87	131.6 Å²	131.6	90%	0.897	81%	0.812	S	S	*	*			cis	170.6	146	-13.3	0	0	0	0	0	116.3
992	G	26.3	Very low	31.2	Very low	91 Å²	91	130.1 Å²	130.1	94%	0.938	81%	0.806	S	S	*	*			trans	108.1	133.1	158.1	0	0	0	0	0	118.9
993	G	25.8	Very low	31.1	Very low	77 Å²	77	128.9 Å²	128.9	79%	0.794	80%	0.803	S	S	*	*			trans	131.7	71.9	152.1	0	0	0	0	0	122.2
994	M	25.7	Very low	30.9	Very low	195 Å²	195	131.4 Å²	131.4	96%	0.961	80%	0.804	S	S	*	*			trans	68.6	176.4	146.9	-71.1	-165.9	170.6	0	0	122.7
995	I	25.5	Very low	29.7	Very low	158 Å²	158	130.8 Å²	130.8	81%	0.81	80%	0.803	S	S	*	*			trans	-141.7	161.9	-157.1	-74.5	168.5	0	0	0	106
996	P	43.2	Very low	29.2	Very low	98 Å²	98	129.7 Å²	129.7	64%	0.636	81%	0.808	S	S	*	*			cis	-133.9	-158.6	3.9	29	-3.1	0	0	0	114.8
997	R	24.7	Very low	28.9	Very low	217 Å²	217	128.4 Å²	128.4	82%	0.819	81%	0.805	S	S	*	*				98.8	135.7	129.4	-104.2	178	-173.2	151.7	1.8	121
998	Q	30.8	Very low	29.2	Very low	177 Å²	177	130 Å²	130	83%	0.827	80%	0.801	S	S	*	*			trans	-76.4	157.6	143.8	-69.3	-176.4	-13.8	0	0	110.4
999	H	22.9	Very low	28.8	Very low	158 Å²	158	133.3 Å²	133.3	73%	0.731	80%	0.799	S	S	*	*			trans	157.7	122.7	147.8	-83.1	-57.5	0	0	0	106.6
1000	S	27.8	Very low	28.4	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	80%	0.796	S	S	*	*			cis	79.4	97.7	45.7	81.2	0	0	0	0	114.8
1001	F	24.6	Very low	29.3	Very low	199 Å²	199	136.1 Å²	136.1	87%	0.873	79%	0.791	S	S	*	*			trans	-170.3	123.4	152.1	-107.7	-79.7	0	0	0	106.5
1002	S	25	Very low	30	Very low	93 Å²	93	137.7 Å²	137.7	65%	0.65	79%	0.786	S	S	*	*			cis	97.1	89.1	16.4	87.9	0	0	0	0	116.6
1003	Q	27.9	Very low	30.8	Very low	169 Å²	169	139 Å²	139	79%	0.79	78%	0.778	S	S	*	*			trans	-173.2	149.9	159.6	-106.8	-177.5	60.3	0	0	106.5
1004	R	30.3	Very low	31.1	Very low	218 Å²	218	142.7 Å²	142.7	82%	0.823	78%	0.778	S	S	*	*			cis	-170.3	163.6	-2.3	-154.2	174.7	-178.6	-165.4	-0.9	107.4
1005	S	26.5	Very low	31.3	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	77%	0.77	S	S	*	*				-159.5	140.6	-53.1	-75.9	0	0	0	0	109.5
1006	G	26.9	Very low	31.6	Very low	84 Å²	84	137.1 Å²	137.1	87%	0.866	77%	0.766	S	S	*	*			trans	79.4	145.7	173	0	0	0	0	0	115.5
1007	G	27.5	Very low	30.9	Very low	76 Å²	76	142.4 Å²	142.4	78%	0.784	77%	0.773	S	S	*	*			cis	102.1	151.4	-0.2	0	0	0	0	0	114.2
1008	P	39.5	Very low	31	Very low	111 Å²	111	141.2 Å²	141.2	72%	0.721	78%	0.779	S	S	*	*			cis	-132.4	-159	4.6	44.4	-26.5	0	0	0	114.3
1009	H	27.4	Very low	31	Very low	167 Å²	167	138.8 Å²	138.8	77%	0.773	77%	0.771	S	S	*	*			trans	20	145.1	149.8	-56.8	-40.3	0	0	0	121.4
1010	Q	26.4	Very low	31.4	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	77%	0.773	S	S	*	*			cis	-165.4	176.7	17.6	-119	165	-18.2	0	0	110.2
1011	P	50.8	Low	31.7	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	78%	0.784	S	S	*	*			trans	-81.5	173.7	177.6	36.6	-34.1	0	0	0	112.8
1012	P	44.2	Very low	31.9	Very low	120 Å²	120	132.1 Å²	132.1	78%	0.779	77%	0.771	S	S	*	*			cis	-137.1	-145.1	35	40.9	-16.6	0	0	0	112.5
1013	P	44.6	Very low	32.2	Very low	119 Å²	119	133.9 Å²	133.9	77%	0.773	78%	0.784	S	S	*	*			cis	-134.2	-97.5	-4.1	36.8	-12.2	0	0	0	118.4
1014	L	30.5	Very low	32.4	Very low	153 Å²	153	130 Å²	130	80%	0.801	78%	0.78	S	S	*	*			trans	-155.4	169.2	-151.1	-81.8	174.1	0	0	0	115.6
1015	L	31	Very low	32.2	Very low	149 Å²	149	125.8 Å²	125.8	78%	0.78	78%	0.783	S	S	*	*			trans	72.3	159.4	160	-74.8	162.7	0	0	0	117.7
1016	A	30.3	Very low	32.5	Very low	88 Å²	88	129.3 Å²	129.3	73%	0.727	79%	0.787	S	S	*	*			cis	-145.2	162.9	-1.8	0	0	0	0	0	109.1
1017	R	29.2	Very low	32.7	Very low	209 Å²	209	131.9 Å²	131.9	79%	0.789	79%	0.785	S	S	*	*			cis	88.9	109.7	20.3	-165.9	-173.7	-176.3	-153.6	2.6	116
1018	M	26.8	Very low	32.7	Very low	191 Å²	191	136.3 Å²	136.3	94%	0.941	79%	0.785	S	S	*	*			trans	-140.5	151.2	169.7	-157.8	165.6	-170.1	0	0	112.2
1019	N	31	Very low	32.5	Very low	126 Å²	126	141 Å²	141	67%	0.674	79%	0.79	S	S	*	*			trans	-164.8	146.7	-153.4	-146.1	42.1	0	0	0	112.1
1020	S	31.7	Very low	33.3	Very low	109 Å²	109	138.4 Å²	138.4	76%	0.762	79%	0.788	S	S	*	*			trans	-174.5	136.4	149.8	43.4	0	0	0	0	112.2
1021	T	33	Very low	33.5	Very low	138 Å²	138	137.3 Å²	137.3	85%	0.847	79%	0.787	S	S	*	*			cis	-162.8	157.1	-13.5	14.8	0	0	0	0	107.3
1022	G	29.3	Very low	32.7	Very low	58 Å²	58	139.4 Å²	139.4	60%	0.598	79%	0.79	S	S	*	*			cis	157.4	158.5	-0.9	0	0	0	0	0	110.9
1023	S	31.1	Very low	33.3	Very low	131 Å²	131	138.1 Å²	138.1	92%	0.916	78%	0.782	S	S	*	*			trans	64.2	170.7	-178.7	-64.2	0	0	0	0	115.2
1024	A	32.8	Very low	32.8	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	78%	0.784	S	S	*	*			cis	-169.8	175.1	-38.2	0	0	0	0	0	106.6
1025	C	26.3	Very low	32.9	Very low	131 Å²	131	135.6 Å²	135.6	89%	0.885	78%	0.779	S	S	*	*			cis	-136	170.1	7.9	-59.3	0	0	0	0	110.3
1026	E	32.1	Very low	33.1	Very low	184 Å²	184	139 Å²	139	86%	0.86	78%	0.782	S	S	*	*			trans	-156.3	152.5	-177	-175.4	-177.5	-128.4	0	0	112.4
1027	V	31.4	Very low	33.3	Very low	137 Å²	137	142.9 Å²	142.9	83%	0.83	79%	0.79	S	S	*	*			trans	-155.5	136.4	-178	178.5	0	0	0	0	109.1
1028	H	26.9	Very low	33.3	Very low	169 Å²	169	137.4 Å²	137.4	78%	0.782	79%	0.79	S	S	*	*			cis	-164.8	-177.5	-27.5	-132.1	65.2	0	0	0	109.1
1029	Y	36.3	Very low	33.6	Very low	209 Å²	209	139.4 Å²	139.4	82%	0.82	79%	0.787	S	S	*	*			trans	-147.7	161	-174.4	-108.4	-85.2	0	0	0	115.1
1030	P	44.6	Very low	33.4	Very low	114 Å²	114	141.8 Å²	141.8	74%	0.74	79%	0.794	S	S	*	*			trans	-115.8	169.1	162.9	39.6	-30.4	0	0	0	114.6
1031	L	29.6	Very low	33.5	Very low	149 Å²	149	145.1 Å²	145.1	78%	0.78	80%	0.797	S	S	*	*			trans	-150.8	109.5	-159.5	-70.8	175.9	0	0	0	119.4
1032	I	33.5	Very low	33.4	Very low	157 Å²	157	144.1 Å²	144.1	81%	0.805	80%	0.796	S	S	*	*			trans	53.3	-166.8	142.3	12.9	177.5	0	0	0	120.2
1033	P	57.9	Low	33.6	Very low	93 Å²	93	151.9 Å²	151.9	60%	0.604	81%	0.809	S	S	*	*			cis	-139.4	-172.5	-29.2	30.2	-6.2	0	0	0	118.5
1034	N	33.8	Very low	33.8	Very low	153 Å²	153	152.5 Å²	152.5	82%	0.818	81%	0.807	S	S	*	*			trans	89.9	150.3	156.1	-56	-33.2	0	0	0	121.4
1035	G	33.2	Very low	33.8	Very low	66 Å²	66	151.4 Å²	151.4	68%	0.68	80%	0.804	S	S	*	*			cis	164.6	145.9	-17.2	0	0	0	0	0	119
1036	Y	34.2	Very low	34.5	Very low	220 Å²	220	153.3 Å²	153.3	86%	0.863	80%	0.8	S	S	*	*			trans	85.9	155.5	150.5	-67.3	-74.2	0	0	0	127.6
1037	L	33.9	Very low	34.7	Very low	170 Å²	170	150.9 Å²	150.9	89%	0.89	79%	0.788	S	S	*	*			trans	85.6	145.6	165.7	-61.4	-178.4	0	0	0	119.4
1038	A	30.7	Very low	35.1	Very low	95 Å²	95	151.4 Å²	151.4	79%	0.785	78%	0.781	S	S	*	*			cis	-157.3	-163.4	-7.3	0	0	0	0	0	113.9
1039	R	31.9	Very low	35.6	Very low	232 Å²	232	149 Å²	149	88%	0.875	77%	0.774	S	S	*	*			trans	-75.8	178.3	-174.8	-60.1	179.2	172.7	179.2	-2.9	114
1040	Q	27.9	Very low	35.7	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.822	77%	0.769	S	S	*	*			cis	-165	176.1	27.8	-158.8	160.5	-21.6	0	0	113.1
1041	H	33.8	Very low	35.2	Very low	180 Å²	180	147.6 Å²	147.6	83%	0.833	77%	0.768	S	S	*	*			trans	-102.1	153.7	-177	-61	-106.7	0	0	0	115.3
1042	S	29.5	Very low	35.6	Very low	116 Å²	116	148.4 Å²	148.4	81%	0.811	77%	0.768	S	S	*	*				163.8	172.6	126.2	-72.8	0	0	0	0	114.8
1043	Y	34	Very low	35.9	Very low	222 Å²	222	152.6 Å²	152.6	87%	0.871	77%	0.774	S	S	*	*			trans	-110.9	-171.5	168.1	-65.3	-89.6	0	0	0	109.5
1044	T	36.3	Very low	34.6	Very low	144 Å²	144	151.8 Å²	151.8	88%	0.883	78%	0.782	S	S	*	*			cis	-165.6	162.2	17.4	-27.4	0	0	0	0	110.1
1045	G	33	Very low	34.8	Very low	62 Å²	62	149.2 Å²	149.2	64%	0.639	78%	0.782	S	S	*	*			trans	147.5	114.6	148.4	0	0	0	0	0	120.2
1046	E	39.7	Very low	35	Very low	172 Å²	172	154 Å²	154	80%	0.804	79%	0.791	S	S	*	*			trans	65.5	173.6	135.8	-51.3	-155.7	71.7	0	0	120.1
1047	Q	37.6	Very low	34.8	Very low	132 Å²	132	148.9 Å²	148.9	62%	0.617	78%	0.782	S	S	*	*			cis	-160.6	163.9	0.7	-139.2	164.9	45.7	0	0	112.9
1048	H	39.7	Very low	34.8	Very low	148 Å²	148	151.5 Å²	151.5	69%	0.685	78%	0.78	S	S	*	*			trans	64.8	153.3	151.7	-81.9	-52	0	0	0	122
1049	D	36.9	Very low	34.9	Very low	118 Å²	118	159 Å²	159	63%	0.631	79%	0.788	S	S	*	*			cis	-158.9	169.1	-3.1	-146.1	10.3	0	0	0	116.6
1050	I	37.3	Very low	34.8	Very low	139 Å²	139	152.6 Å²	152.6	71%	0.713	78%	0.779	S	S	*	*			trans	71.3	152.6	148.7	-108	165.8	0	0	0	119.2
1051	Q	34.3	Very low	34.9	Very low	155 Å²	155	150.6 Å²	150.6	72%	0.724	78%	0.778	S	S	*	*			cis	-150.7	-142.9	-12.7	-152.1	-158.5	108.1	0	0	112.4
1052	H	39.5	Very low	34.6	Very low	167 Å²	167	147.3 Å²	147.3	77%	0.773	78%	0.776	S	S	*	*			trans	-136.2	-162	-174.3	-66.7	-5.5	0	0	0	111.4
1053	R	39.7	Very low	34.8	Very low	245 Å²	245	149.5 Å²	149.5	93%	0.925	78%	0.778	S	S	*	*			cis	-168.3	155.9	12.9	-155.9	177.9	-174.2	-177.5	2	112.6
1054	G	30.3	Very low	34.8	Very low	76 Å²	76	147.4 Å²	147.4	78%	0.784	77%	0.773	S	S	*	*			trans	171.8	156	169.1	0	0	0	0	0	113.7
1055	A	37.9	Very low	35.1	Very low	99 Å²	99	145.5 Å²	145.5	82%	0.818	76%	0.763	S	S	*	*			trans	-159.3	167.6	-171.5	0	0	0	0	0	116.3
1056	I	35.9	Very low	34.9	Very low	167 Å²	167	149.2 Å²	149.2	86%	0.856	77%	0.768	S	S	*	*			trans	127.5	136.3	170.4	-74.6	165.6	0	0	0	111.4
1057	V	31.7	Very low	34.6	Very low	111 Å²	111	146.8 Å²	146.8	67%	0.673	77%	0.765	S	S	*	*			cis	-160.1	155	-9.5	121.8	0	0	0	0	113.6
1058	R	34.1	Very low	34.7	Very low	225 Å²	225	146.1 Å²	146.1	85%	0.849	77%	0.772	S	S	*	*			trans	9.8	133	159.6	-53.5	168.1	171.7	150.6	-5.4	122.8
1059	R	31.1	Very low	34.8	Very low	252 Å²	252	145 Å²	145	95%	0.951	78%	0.778	S	S	*	*				-169.4	-177	97.3	-104.1	-175.9	179.9	-179.9	2.1	111.8
1060	S	31.5	Very low	34.6	Very low	99 Å²	99	148.4 Å²	148.4	69%	0.692	79%	0.787	S	S	*	*			trans	-135.6	169.5	-157.7	58.8	0	0	0	0	115.5
1061	T	30.1	Very low	34.8	Very low	133 Å²	133	147.7 Å²	147.7	82%	0.816	79%	0.791	S	S	*	*			trans	61.5	129.7	160.1	52.3	0	0	0	0	119.6
1062	S	27.4	Very low	34.7	Very low	112 Å²	112	148.3 Å²	148.3	78%	0.783	80%	0.799	S	S	*	*				157.1	172.2	111.6	-156.5	0	0	0	0	114.3
1063	L	33	Very low	34.4	Very low	161 Å²	161	149.9 Å²	149.9	84%	0.843	80%	0.804	S	S	*	*			trans	-54.8	167.4	-170.9	-68	147.4	0	0	0	119.2
1064	K	33.6	Very low	34	Very low	179 Å²	179	146 Å²	146	78%	0.778	80%	0.8	S	S	*	*			trans	-49	157.3	152.8	-104.9	-174.4	176.6	-174.8	0	111.6
1065	P	42.4	Very low	34.4	Very low	103 Å²	103	147.9 Å²	147.9	67%	0.669	80%	0.798	S	S	*	*				-152.7	-170	53.1	44.3	-23.5	0	0	0	118.1
1066	D	28.7	Very low	34.1	Very low	141 Å²	141	147.8 Å²	147.8	75%	0.754	80%	0.797	S	S	*	*			trans	73.6	130.7	147.1	-66	-20.8	0	0	0	126.4
1067	V	33.5	Very low	33.9	Very low	121 Å²	121	146.4 Å²	146.4	73%	0.733	80%	0.797	S	S	*	*			trans	51.8	121.3	138.4	-177.4	0	0	0	0	121.4
1068	P	40.5	Very low	33.9	Very low	118 Å²	118	145.9 Å²	145.9	77%	0.766	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.7	146.1	159.7	35	-32.6	0	0	0	112.5
1069	P	41.5	Very low	34.3	Very low	123 Å²	123	141.1 Å²	141.1	80%	0.799	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-82.8	156.5	-177.1	33.2	-36	0	0	0	114.3
1070	K	33.2	Very low	34.3	Very low	191 Å²	191	135 Å²	135	83%	0.83	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-80.3	145.8	171.1	-59.8	179.1	179	179.4	0	112
1071	P	40.7	Very low	34.4	Very low	123 Å²	123	136.4 Å²	136.4	80%	0.799	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-73.1	157.8	147.3	-11.7	29.1	0	0	0	111.3
1072	L	31.8	Very low	34.3	Very low	168 Å²	168	138 Å²	138	88%	0.88	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-100.8	149.3	-176.3	-74.3	159.3	0	0	0	112.7
1073	F	33.8	Very low	34.6	Very low	200 Å²	200	141.1 Å²	141.1	88%	0.877	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-92.2	132.6	169.4	-94.3	-96.8	0	0	0	111
1074	I	32.2	Very low	34.6	Very low	165 Å²	165	137.2 Å²	137.2	85%	0.846	79%	0.786	S	S	*	*			trans	-136.9	142.6	154.2	-69.9	-170.2	0	0	0	106.9
1075	P	38.4	Very low	34.6	Very low	115 Å²	115	137 Å²	137	75%	0.747	79%	0.785	S	S	*	*			trans	-112	169.3	-147.2	41	-34.5	0	0	0	116.1
1076	A	31.6	Very low	34.1	Very low	96 Å²	96	143 Å²	143	79%	0.793	80%	0.796	S	S	*	*			trans	-115.5	103.6	161.8	0	0	0	0	0	110.5
1077	T	30.2	Very low	34.2	Very low	139 Å²	139	143.3 Å²	143.3	85%	0.853	80%	0.797	S	S	*	*			trans	1.2	126.9	162.2	53.4	0	0	0	0	120.2
1078	S	31.9	Very low	34.2	Very low	100 Å²	100	151.8 Å²	151.8	70%	0.699	82%	0.818	S	S	*	*			trans	-105.9	144.1	151.6	-175.1	0	0	0	0	109.5
1079	P	42.9	Very low	33.9	Very low	125 Å²	125	153.5 Å²	153.5	81%	0.812	82%	0.821	S	S	*	*			trans	-74.3	139	169.9	31.5	-33.6	0	0	0	111
1080	V	31.9	Very low	33.5	Very low	124 Å²	124	155.1 Å²	155.1	75%	0.752	82%	0.822	S	S	*	*			trans	-130.1	120	-177.5	176.3	0	0	0	0	110.4
1081	N	32.1	Very low	33.5	Very low	128 Å²	128	153.1 Å²	153.1	68%	0.684	82%	0.822	S	S	*	*			trans	-175.1	154.7	133.1	-117	11.5	0	0	0	110.2
1082	E	29.4	Very low	33.1	Very low	166 Å²	166	154.9 Å²	154.9	78%	0.776	82%	0.823	S	S	*	*			cis	-146	169.5	0.2	-161.1	155.4	-125.4	0	0	110.7
1083	Q	32.6	Very low	33.2	Very low	177 Å²	177	154.1 Å²	154.1	83%	0.827	82%	0.819	S	S	*	*			trans	-94.6	140	-177.6	-68.8	-177	-19.3	0	0	113.8
1084	G	33.3	Very low	33.1	Very low	80 Å²	80	151 Å²	151	83%	0.825	82%	0.815	S	S	*	*			trans	-119.2	120.2	158	0	0	0	0	0	110.1
1085	K	34.7	Very low	33.2	Very low	174 Å²	174	150 Å²	150	76%	0.757	81%	0.813	S	S	*	*			trans	-78.1	150.2	-179.3	-61.6	172.9	-177.9	171.8	0	111.1
1086	Y	30.5	Very low	32.8	Very low	229 Å²	229	152.7 Å²	152.7	90%	0.898	82%	0.818	S	S	*	*				-166.9	158.6	107.9	-92.3	-64.4	0	0	0	110.2
1087	N	31.6	Very low	32.9	Very low	148 Å²	148	157.4 Å²	157.4	79%	0.791	82%	0.82	S	S	*	*			trans	-92.3	128.6	173.4	-61.3	-19.1	0	0	0	109.2
1088	Y	33.5	Very low	33.1	Very low	299 Å²	299	159.1 Å²	159.1	100%	1.173	82%	0.818	S	S	*	*				-167.5	0	114.8	-108.3	-67.8	0	0	0	111.1

Retrieved 1,088 of 1,088 residues in 377.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).