A0A087Y849_POEFO Loading...

Taste receptor type 1 member 3

AlphaFold DB , UniProt , Accession A0A087Y849, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 863 aa.

						>A0A087Y849_POEFO|A0A087Y849
MASLLYLLCALCWTFRPCSSVSSPEWFQNITTNLFSLPGDVTLGGLFPINQQSNSNGLISEPNSIKCESLNEYGLGFSLVMKYAVDEINGKQDLLPGVKLGYKMYDTCRHSSNVVKPTISFLTEKTTNALSVECNYTDYETSISAVIGPYTSEMVSVIGKLLGFFLMPQISYGATSDKFSDNLLYPSFFRTVPSDKWQVDAMVQLMSEFNWTWVAVIGSEEEYGQSGVQQFSKVAENKSVCVAYQGLIPVYTDPGPAVRTIINNIRTTEVKVVIVFALPESAAFFFEQVIQENLTGVWIASSSWIIHNRLISIPKIKDIGTIMGFVDKLDSLDLLNNYAEALLRKISEERENNATIQPKSHDRDNPCPQCWYLSPANITLVNDLAVKRLGFAVYSAVYSVAQALHTLLECDSAGCNWGPDSKIYPWKLLEVLRNTSVNISGTILEFDENGNPNVGYKLLEWTWETSGKVAFKNVGNYYQNKLFINASRFEWHTENSTVPLSTCSAQCADGQVRRVKGFHSCCYDCIDCLAGTFQENKDDIQCAKCPERQWSNDRSTECTPPIFEILGWDSDDALKIILAVLALLICQVSVAVVFLIHRGTPLVKASGGVLTFLVLLSLMGGCLSLFLFLGEPDDVVCRLQLPLITIFQTVALSIILSISLQIFLVTEFPKKVAPHLRTLQGPGSWLFVLICCSVQAGLCGWFVQKEPSLTAYKNNMEINFMKTFLPCPVSPDKLAVMQGLNAAMALVSFMSTFMAIKPHHQYNLARDITFSTLIYCVIWVIFIPVYTGLTANILTVSKNKSTVHVYFTLAGNLGLVVAYYFPKCYLLFKNPDSNTPEYFCTFLEGVPPTPPQEEVQLQSSACE
					

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(Predicted Aligned Error values between residue pairs)

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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	51.4	Low	53.5	Low	214 Å²	214	116.4 Å²	116.4	100%	1.054	64%	0.644	S	S	*	*				0	-38	0	-127.2	174.3	-91.3	0	0	113.2
2	A	51.8	Low	53	Low	80 Å²	80	114.3 Å²	114.3	66%	0.661	64%	0.642	S	S	*	*	H	α-helix	trans	-71.6	-28.7	178.5	0	0	0	0	0	115.6
3	S	53.4	Low	52.3	Low	102 Å²	102	123.2 Å²	123.2	71%	0.713	66%	0.659	S	S	*	*	H	α-helix	trans	-79.5	-23.6	-177.8	-156.5	0	0	0	0	113.5
4	L	50.8	Low	51.8	Low	130 Å²	130	121.6 Å²	121.6	68%	0.681	66%	0.657	S	S	*	*	H	α-helix	trans	-77.5	-32.6	175.6	-144.6	87.4	0	0	0	111.9	L8	L4-L8 PolarHBondContact O-N 2.93Å
5	L	53.6	Low	51.2	Low	114 Å²	114	124.7 Å²	124.7	60%	0.597	66%	0.662	S	S	*	*	H	α-helix	trans	-68.5	-36.2	175.9	-112.6	95.2	0	0	0	112.3	L8 C9	L5-L8 PolarHBondContact O-N 3.44Å; L5-C9 WeakPolarHBondContact O-CB 3.43Å; L5-C9 PolarHBondContact O-N 3.35Å; L5-C9 PolarHBondContact O-SG 3Å; L5-C9 VanDerWaalsContact O-SG 3.41Å
6	Y	57.9	Low	50.1	Low	194 Å²	194	130.8 Å²	130.8	76%	0.761	67%	0.673	S	S	*	*	H	α-helix	trans	-69.5	-35.1	178.2	-110.2	-87.9	0	0	0	112.5	A10	Y6-A10 WeakPolarHBondContact O-CB 3.37Å; Y6-A10 PolarHBondContact O-N 3.13Å
7	L	57.4	Low	49.1	Very low	118 Å²	118	129.9 Å²	129.9	62%	0.618	68%	0.678	S	S	*	*	H	α-helix	trans	-70.4	-38.1	176	-138.5	90.6	0	0	0	111.9	A10 L11	L7-A10 PolarHBondContact O-N 3.35Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 WeakPolarHBondContact O-CD1 3.47Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.42Å
8	L	54.4	Low	48.2	Very low	104 Å²	104	128.9 Å²	128.9	55%	0.545	68%	0.682	S	S	.	*	H	α-helix	trans	-68.3	-39.1	175.1	-83.8	156.9	0	0	0	112.2	L4 L5 C12	L4-L8 PolarHBondContact O-N 2.93Å; L5-L8 PolarHBondContact O-N 3.44Å; L8-C12 PolarHBondContact O-N 3.19Å
9	C	55.3	Low	47.5	Very low	74 Å²	74	127.4 Å²	127.4	50%	0.5	68%	0.683	S	S	.	*	H	α-helix	trans	-68.3	-36.2	174.5	-74.5	0	0	0	0	112.8	L5 C12 W13	L5-C9 WeakPolarHBondContact O-CB 3.43Å; L5-C9 PolarHBondContact O-N 3.35Å; L5-C9 PolarHBondContact O-SG 3Å; L5-C9 VanDerWaalsContact O-SG 3.41Å; C9-C12 PolarHBondContact O-N 3.42Å; C9-W13 PolarHBondContact O-N 3.03Å
10	A	53.2	Low	46.9	Very low	56 Å²	56	125.7 Å²	125.7	46%	0.463	68%	0.682	S	S	.	*	H	α-helix	trans	-71.5	-33.5	176.8	0	0	0	0	0	113	Y6 L7 W13 T14	Y6-A10 WeakPolarHBondContact O-CB 3.37Å; Y6-A10 PolarHBondContact O-N 3.13Å; L7-A10 PolarHBondContact O-N 3.35Å; A10-W13 PolarHBondContact O-N 3.23Å; A10-T14 PolarHBondContact O-N 3.01Å; A10-T14 PolarHBondContact O-OG1 3.14Å
11	L	49.1	Very low	46.7	Very low	94 Å²	94	125.4 Å²	125.4	49%	0.492	68%	0.684	S	S	.	*	H	α-helix	trans	-72.4	-31.5	173.2	-77.8	160.5	0	0	0	112.3	L7 W13 T14 F15	L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 WeakPolarHBondContact O-CD1 3.47Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.42Å; L11-W13 VanDerWaalsContact C-N 3.35Å; L11-T14 PolarHBondContact O-OG1 2.87Å; L11-F15 PolarHBondContact O-N 3.11Å
12	C	47.3	Very low	47.1	Very low	92 Å²	92	120 Å²	120	62%	0.622	67%	0.667	S	S	*	*	H	α-helix	trans	-73.2	-21.1	172.7	-78.4	0	0	0	0	114.2	L8 C9	L8-C12 PolarHBondContact O-N 3.19Å; C9-C12 PolarHBondContact O-N 3.42Å
13	W	44.7	Very low	47.9	Very low	229 Å²	229	119.9 Å²	119.9	87%	0.867	66%	0.661	S	S	*	*	H	α-helix	trans	-87.4	-21.9	176.3	-82.3	31.7	0	0	0	113.3	C9 A10 L11	C9-W13 PolarHBondContact O-N 3.03Å; A10-W13 PolarHBondContact O-N 3.23Å; L11-W13 VanDerWaalsContact C-N 3.35Å
14	T	44.8	Very low	49.3	Very low	101 Å²	101	116.6 Å²	116.6	62%	0.62	64%	0.637	S	S	*	*	H	α-helix	trans	-91.2	-16.5	179.6	46.3	0	0	0	0	113.5	A10 L11	A10-T14 PolarHBondContact O-N 3.01Å; A10-T14 PolarHBondContact O-OG1 3.14Å; L11-T14 PolarHBondContact O-OG1 2.87Å
15	F	42.3	Very low	50.8	Low	169 Å²	169	118.6 Å²	118.6	74%	0.741	64%	0.644	S	S	*	*			trans	-116.7	69.2	168.5	-75	-86.3	0	0	0	110.8	L11 P17	L11-F15 PolarHBondContact O-N 3.11Å; F15-P17 VanDerWaalsContact O-CD 3.31Å; F15-P17 WeakPolarHBondContact O-CD 3.5Å
16	R	33.7	Very low	52.3	Low	221 Å²	221	114.8 Å²	114.8	83%	0.834	62%	0.621	S	S	*	*			trans	-74.5	115.9	148	-94.1	-173.4	176.7	-171.7	-0.6	106.4	C18	R16-C18 PolarHBondContact O-N 2.88Å
17	P	34.1	Very low	53.8	Low	117 Å²	117	106.3 Å²	106.3	76%	0.76	59%	0.588	S	S	*	*			trans	-68.4	91.2	161.3	28.6	-27.2	0	0	0	106.1	F15 S19	F15-P17 VanDerWaalsContact O-CD 3.31Å; F15-P17 WeakPolarHBondContact O-CD 3.5Å; P17-S19 PolarHBondContact O-N 3.27Å
18	C	33.1	Very low	54.8	Low	111 Å²	111	107.9 Å²	107.9	75%	0.75	59%	0.593	S	S	*	*			trans	-76.7	77.5	166.6	-156.5	0	0	0	0	106.5	R16	R16-C18 PolarHBondContact O-N 2.88Å
19	S	33.8	Very low	56.1	Low	101 Å²	101	109.7 Å²	109.7	71%	0.706	60%	0.603	S	S	*	*			trans	-108.8	53.3	161.3	57.8	0	0	0	0	108	P17 V21	P17-S19 PolarHBondContact O-N 3.27Å; S19-V21 VanDerWaalsContact C-N 3.32Å; S19-V21 PolarHBondContact O-N 3.32Å
20	S	35	Very low	57.7	Low	93 Å²	93	106.4 Å²	106.4	65%	0.65	58%	0.58	S	S	*	*			trans	-76.6	98.2	148	57.7	0	0	0	0	104.9	S22	S20-S22 PolarHBondContact O-N 2.94Å
21	V	44.2	Very low	59.4	Low	119 Å²	119	106.2 Å²	106.2	72%	0.721	57%	0.573	S	S	*	*			trans	-53.7	109.2	163.9	176.5	0	0	0	0	105.2	S19 S23	S19-V21 VanDerWaalsContact C-N 3.32Å; S19-V21 PolarHBondContact O-N 3.32Å; V21-S23 PolarHBondContact O-N 3.43Å
22	S	58.3	Low	61.2	Low	101 Å²	101	103 Å²	103	71%	0.706	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-59.3	123.8	176.4	48.3	0	0	0	0	107.2	S20	S20-S22 PolarHBondContact O-N 2.94Å
23	S	69.2	Low	63.2	Low	77 Å²	77	102.7 Å²	102.7	54%	0.538	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-54.2	137	175.6	50.8	0	0	0	0	109.5	V21	V21-S23 PolarHBondContact O-N 3.43Å
24	P	83	Confident	65.4	Low	33 Å²	33	92.3 Å²	92.3	21%	0.214	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-52.8	142.6	179.1	-25.5	33.2	0	0	0	112.2	W26 F27 L334	P24-W26 VanDerWaalsContact CB-CD1 3.43Å; P24-W26 HydrophobicContact CB-CG 4.22Å; P24-W26 VanDerWaalsContact CB-NE1 3.31Å; P24-W26 PolarHBondContact O-N 3.23Å; P24-W26 VanDerWaalsContact O-N 3.16Å; P24-F27 HydrophobicContact CB-CD1 4.05Å; P24-F27 HydrophobicContact CB-CE1 4.19Å; P24-F27 HydrophobicContact CG-CD1 4.16Å; P24-F27 HydrophobicContact CG-CE1 3.82Å; P24-F27 HydrophobicContact CG-CZ 4.34Å; P24-F27 WeakPolarHBondContact O-CB 3.38Å; P24-F27 PolarHBondContact O-N 2.96Å; P24-L334 HydrophobicContact CG-CD1 4.08Å
25	E	81.8	Confident	67.7	Low	173 Å²	173	87.9 Å²	87.9	81%	0.808	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-57.8	-33.2	-176.9	-69.1	-170.9	162.5	0	0	112.8	F27 Q28	E25-F27 PolarHBondContact O-N 3.15Å; E25-F27 VanDerWaalsContact O-N 3.11Å; E25-Q28 PolarHBondContact O-N 3.43Å; E25-Q28 VanDerWaalsContact O-N 3.13Å
26	W	86.5	Confident	70.1	Confident	34 Å²	34	81.9 Å²	81.9	13%	0.129	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-63	-18.9	179.8	68.1	-102.3	0	0	0	113.8	P24 Q28 N29 I30 Y83 D86 E87 Y338	P24-W26 VanDerWaalsContact CB-CD1 3.43Å; P24-W26 HydrophobicContact CB-CG 4.22Å; P24-W26 VanDerWaalsContact CB-NE1 3.31Å; P24-W26 PolarHBondContact O-N 3.23Å; P24-W26 VanDerWaalsContact O-N 3.16Å; W26-Q28 PolarHBondContact O-N 3.15Å; W26-Q28 VanDerWaalsContact O-N 3.13Å; W26-N29 PolarHBondContact O-N 3.42Å; W26-I30 HydrophobicContact CE3-CG2 4.2Å; W26-I30 HydrophobicContact CZ3-CG2 4.1Å; W26-Y83 HydrophobicContact CH2-CD2 4Å; W26-Y83 AromaticContact CH2-CE2 3.9Å; W26-Y83 HydrophobicContact CH2-CE2 3.9Å; W26-Y83 HydrophobicContact CZ2-CE2 4.19Å; W26-D86 HydrophobicContact CE3-CB 4.43Å; W26-D86 HydrophobicContact CZ3-CB 3.83Å; W26-E87 HydrophobicContact CH2-CB 3.68Å; W26-E87 HydrophobicContact CH2-CG 4.28Å; W26-E87 HydrophobicContact CZ2-CB 3.52Å; W26-E87 HydrophobicContact CZ2-CG 3.59Å; W26-E87 HydrophobicContact CZ3-CB 4.46Å; W26-Y338 AromaticContact CH2-CD2 3.67Å; W26-Y338 HydrophobicContact CH2-CD2 3.67Å; W26-Y338 HydrophobicContact CH2-CE2 4.02Å; W26-Y338 AromaticContact CZ3-CD2 3.73Å; W26-Y338 HydrophobicContact CZ3-CD2 3.73Å; W26-Y338 AromaticContact CZ3-CE2 3.7Å; W26-Y338 HydrophobicContact CZ3-CE2 3.7Å
27	F	88.4	Confident	73	Confident	15 Å²	15	71.8 Å²	71.8	7%	0.066	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-59.6	-25.2	174.9	-81.8	31.1	0	0	0	112.5	P24 E25 N29 I30 N337 Y338 A341	P24-F27 HydrophobicContact CB-CD1 4.05Å; P24-F27 HydrophobicContact CB-CE1 4.19Å; P24-F27 HydrophobicContact CG-CD1 4.16Å; P24-F27 HydrophobicContact CG-CE1 3.82Å; P24-F27 HydrophobicContact CG-CZ 4.34Å; P24-F27 WeakPolarHBondContact O-CB 3.38Å; P24-F27 PolarHBondContact O-N 2.96Å; E25-F27 PolarHBondContact O-N 3.15Å; E25-F27 VanDerWaalsContact O-N 3.11Å; F27-N29 VanDerWaalsContact C-N 3.27Å; F27-N29 PolarHBondContact O-N 2.71Å; F27-I30 WeakPolarHBondContact O-CD1 3.5Å; F27-I30 VanDerWaalsContact O-CG1 3.31Å; F27-I30 WeakPolarHBondContact O-CG1 3.4Å; F27-N337 HydrophobicContact CE2-CB 4Å; F27-N337 HydrophobicContact CZ-CB 4.43Å; F27-Y338 HydrophobicContact CE1-CD2 4.25Å; F27-Y338 HydrophobicContact CZ-CD2 4.36Å; F27-A341 HydrophobicContact CD2-CB 3.92Å
28	Q	78.1	Confident	75.8	Confident	152 Å²	152	70.8 Å²	70.8	71%	0.71	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-69.2	-28.6	179.1	-60.7	-170.4	8	0	0	112.2	E25 W26 K345	E25-Q28 PolarHBondContact O-N 3.43Å; E25-Q28 VanDerWaalsContact O-N 3.13Å; W26-Q28 PolarHBondContact O-N 3.15Å; W26-Q28 VanDerWaalsContact O-N 3.13Å; Q28-K345 PolarHBondContact O-NZ 2.98Å
29	N	82.4	Confident	78.7	Confident	141 Å²	141	66.9 Å²	66.9	75%	0.754	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-93.9	7.3	-172.1	-68.7	-17.1	0	0	0	114.3	W26 F27	W26-N29 PolarHBondContact O-N 3.42Å; F27-N29 VanDerWaalsContact C-N 3.27Å; F27-N29 PolarHBondContact O-N 2.71Å
30	I	89.1	Confident	81.6	Confident	5 Å²	5	65 Å²	65	3%	0.026	38%	0.379	C	S	.	.			trans	-66.8	141.6	-178.5	65.6	-175.4	0	0	0	112	W26 F27 Y338 A341 L342 K345	W26-I30 HydrophobicContact CE3-CG2 4.2Å; W26-I30 HydrophobicContact CZ3-CG2 4.1Å; F27-I30 WeakPolarHBondContact O-CD1 3.5Å; F27-I30 VanDerWaalsContact O-CG1 3.31Å; F27-I30 WeakPolarHBondContact O-CG1 3.4Å; I30-Y338 HydrophobicContact CG2-CE2 3.76Å; I30-A341 HydrophobicContact CD1-CB 4.19Å; I30-L342 HydrophobicContact CD1-CB 4.19Å; I30-K345 HydrophobicContact CD1-CD 4.36Å; I30-K345 HydrophobicContact CG1-CD 3.74Å; I30-K345 WeakPolarHBondContact O-CD 3.47Å; I30-K345 VanDerWaalsContact O-CE 3.28Å; I30-K345 WeakPolarHBondContact O-CE 3.3Å; I30-K345 PolarHBondContact O-NZ 3.38Å
31	T	88.4	Confident	84.4	Confident	52 Å²	52	60.7 Å²	60.7	32%	0.319	35%	0.349	S	S	.	.			trans	-91.9	152	174.9	61.5	0	0	0	0	111.2	L37 K82	T31-L37 HydrophobicContact CG2-CD1 4.01Å; T31-K82 WeakPolarHBondContact O-CE 3.45Å; T31-K82 PolarHBondContact O-NZ 3.31Å; T31-K82 PolarHBondContact OG1-NZ 3.12Å
32	T	87.3	Confident	86.9	Confident	26 Å²	26	56.3 Å²	56.3	16%	0.16	32%	0.322	C	S	.	.	S	Bend	trans	-86.6	-11.2	176.4	52.1	0	0	0	0	113.5	L34 K345 I346 E349	T32-L34 PolarHBondContact O-N 3.05Å; T32-L34 VanDerWaalsContact O-N 3.15Å; T32-K345 HydrophobicContact CG2-CB 4.21Å; T32-K345 HydrophobicContact CG2-CD 4.26Å; T32-K345 HydrophobicContact CG2-CG 3.84Å; T32-I346 HydrophobicContact CG2-CG1 3.92Å; T32-E349 WeakPolarHBondContact CB-OE2 3.26Å; T32-E349 HydrophobicContact CG2-CB 4.5Å; T32-E349 WeakPolarHBondContact CG2-OE2 3.33Å; T32-E349 PolarHBondContact OG1-OE2 3.09Å
33	N	88.3	Confident	88.8	Confident	86 Å²	86	51.5 Å²	51.5	46%	0.46	29%	0.288	S	S	.	.			trans	-67.8	111.9	171.9	-167.9	-22.5	0	0	0	109.9	F35 S36 Y102	N33-F35 PolarHBondContact OD1-N 3.49Å; N33-S36 PolarHBondContact ND2-O 3.37Å; N33-S36 PolarHBondContact OD1-N 2.9Å; N33-S36 PolarHBondContact OD1-O 3.03Å; N33-Y102 PolarHBondContact O-OH 3.41Å; N33-Y102 VanDerWaalsContact O-OH 3.06Å
34	L	90.9	Very high	90.2	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.063	26%	0.263	C	S	.	.	S	Bend	trans	-78.6	-36.4	-171.6	-65.5	-179.4	0	0	0	113.2	T32 L79 K82 Y102 L342 I346 C370 L373	T32-L34 PolarHBondContact O-N 3.05Å; T32-L34 VanDerWaalsContact O-N 3.15Å; L34-L79 HydrophobicContact CD2-CD2 3.76Å; L34-K82 HydrophobicContact CD2-CD 4.2Å; L34-Y102 WeakPolarHBondContact O-CE2 3.35Å; L34-Y102 PolarHBondContact O-OH 3.19Å; L34-L342 HydrophobicContact CD2-CD1 4.43Å; L34-L342 HydrophobicContact CD2-CD2 4Å; L34-L342 HydrophobicContact CD2-CG 4.5Å; L34-I346 HydrophobicContact CD2-CD1 3.94Å; L34-I346 HydrophobicContact CG-CD1 4.49Å; L34-C370 HydrophobicContact CD1-CB 3.81Å; L34-L373 HydrophobicContact CD1-CD1 4.12Å
35	F	92.9	Very high	90.9	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.031	25%	0.252	C	S	.	.	S	Bend	trans	-113.3	-8.9	-164.5	-53.4	-67.2	0	0	0	114	N33 I49 L75 M104 P366 C367	N33-F35 PolarHBondContact OD1-N 3.49Å; F35-I49 HydrophobicContact CD1-CD1 3.76Å; F35-I49 HydrophobicContact CE1-CD1 3.46Å; F35-I49 VanDerWaalsContact CE1-CD1 3.46Å; F35-I49 HydrophobicContact CE1-CG1 4.2Å; F35-I49 HydrophobicContact CZ-CD1 4.24Å; F35-I49 HydrophobicContact CZ-CG2 4.41Å; F35-L75 HydrophobicContact CE1-CD1 4.21Å; F35-L75 HydrophobicContact CZ-CD1 4.03Å; F35-M104 HydrophobicContact CB-CB 4.27Å; F35-M104 HydrophobicContact CD1-CB 4.22Å; F35-M104 PolarHBondContact O-N 3.17Å; F35-P366 HydrophobicContact CB-CG 4.02Å; F35-P366 HydrophobicContact CD1-CG 3.74Å; F35-P366 HydrophobicContact CD2-CG 3.59Å; F35-P366 HydrophobicContact CE1-CG 4.07Å; F35-P366 HydrophobicContact CE2-CG 3.92Å; F35-P366 HydrophobicContact CG-CG 3.48Å; F35-P366 VanDerWaalsContact CG-CG 3.48Å; F35-P366 HydrophobicContact CZ-CG 4.15Å; F35-C367 HydrophobicContact CE2-CB 3.74Å; F35-C367 HydrophobicContact CZ-CB 3.69Å
36	S	93.3	Very high	91.6	Very high	44 Å²	44	38 Å²	38	31%	0.308	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	131.4	175	-175.7	0	0	0	0	111.2	N33 Y102	N33-S36 PolarHBondContact ND2-O 3.37Å; N33-S36 PolarHBondContact OD1-N 2.9Å; N33-S36 PolarHBondContact OD1-O 3.03Å; S36-Y102 WeakPolarHBondContact CA-O 3.2Å
37	L	94.7	Very high	92.1	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.3	171.2	-177.8	71.4	0	0	0	108.9	T31 V85 G101 Y102	T31-L37 HydrophobicContact CG2-CD1 4.01Å; L37-V85 HydrophobicContact CD2-CG1 3.9Å; L37-G101 CarbonylContact O-C 3.49Å; L37-G101 WeakPolarHBondContact O-CA 3.45Å; L37-Y102 HydrophobicContact CB-CD1 3.74Å; L37-Y102 HydrophobicContact CB-CD2 4.31Å; L37-Y102 HydrophobicContact CB-CE1 3.43Å; L37-Y102 VanDerWaalsContact CB-CE1 3.43Å; L37-Y102 HydrophobicContact CB-CE2 4.03Å; L37-Y102 HydrophobicContact CB-CG 4.18Å; L37-Y102 HydrophobicContact CD2-CD1 4.19Å; L37-Y102 HydrophobicContact CD2-CE1 3.79Å; L37-Y102 HydrophobicContact CG-CE1 4.24Å; L37-Y102 PolarHBondContact N-O 3.44Å; L37-Y102 PolarHBondContact O-N 3.21Å
38	P	93.9	Very high	92.3	Very high	97 Å²	97	35.8 Å²	35.8	63%	0.63	21%	0.205	S	C	*	.			trans	-72.4	140.9	175.2	29.9	-33.6	0	0	0	111
39	G	93.5	Very high	93	Very high	28 Å²	28	28.5 Å²	28.5	29%	0.289	17%	0.171	S	C	.	.			trans	-156.9	171.6	175.4	0	0	0	0	0	111.2	V41 K99	G39-V41 VanDerWaalsContact C-N 3.3Å; G39-K99 CarbonylContact C-O 3.6Å; G39-K99 WeakPolarHBondContact CA-O 3.45Å
40	D	93.6	Very high	93.4	Very high	63 Å²	63	22.3 Å²	22.3	34%	0.337	14%	0.138	S	C	.	.	S	Bend	trans	-62.9	-39.1	175.8	-67	-56.8	0	0	0	111.8	V98 K99 W417	D40-V98 HydrophobicContact CB-CG1 4.01Å; D40-K99 PolarHBondContact N-O 2.76Å; D40-K99 WeakPolarHBondContact OD2-CB 3.28Å; D40-K99 PolarHBondContact OD2-N 3.45Å; D40-W417 HydrophobicContact CB-CZ2 3.62Å; D40-W417 PolarHBondContact OD1-NE1 3.16Å
41	V	95	Very high	93.1	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.2	176.2	-172.9	0	0	0	0	108.2	G39 V98 K99 L100 G101 S144 L404 W417 I423	G39-V41 VanDerWaalsContact C-N 3.3Å; V41-V98 HydrophobicContact CG2-CG1 3.97Å; V41-K99 PolarHBondContact N-O 2.88Å; V41-L100 HydrophobicContact CB-CD1 4.15Å; V41-L100 HydrophobicContact CG1-CD1 4.31Å; V41-G101 PolarHBondContact O-N 3.45Å; V41-S144 WeakPolarHBondContact CG1-OG 3.33Å; V41-L404 HydrophobicContact CG1-CD1 3.88Å; V41-L404 HydrophobicContact CG1-CD2 4.2Å; V41-W417 HydrophobicContact CG2-CH2 3.98Å; V41-W417 HydrophobicContact CG2-CZ2 4.39Å; V41-W417 HydrophobicContact CG2-CZ3 4.26Å; V41-I423 HydrophobicContact CB-CD1 4.16Å; V41-I423 HydrophobicContact CG1-CD1 3.76Å; V41-I423 HydrophobicContact CG2-CD1 3.3Å
42	T	96.4	Very high	92.5	Very high	26 Å²	26	24.5 Å²	24.5	16%	0.16	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.6	-175.7	-53	0	0	0	0	111.5	K103 I143 S144	T42-K103 HydrophobicContact CG2-CG 4.1Å; T42-I143 HydrophobicContact CG2-CD1 3.42Å; T42-I143 VanDerWaalsContact CG2-CD1 3.42Å; T42-I143 WeakPolarHBondContact O-CA 3.32Å; T42-S144 PolarHBondContact O-N 3.18Å
43	L	98.4	Very high	91.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.7	174.3	-54.7	-171.5	0	0	0	111.9	M81 L100 G101 Y102 K103 A145 V397 V400	L43-M81 HydrophobicContact CB-CE 3.6Å; L43-M81 HydrophobicContact CD1-CE 4.36Å; L43-L100 HydrophobicContact CD1-CD1 4.1Å; L43-L100 HydrophobicContact CD1-CD2 3.91Å; L43-L100 HydrophobicContact CD1-CG 4.22Å; L43-L100 HydrophobicContact CD2-CD1 4.12Å; L43-L100 HydrophobicContact CG-CD1 3.84Å; L43-L100 HydrophobicContact CG-CG 4.28Å; L43-G101 PolarHBondContact N-O 3Å; L43-Y102 CarbonylContact O-C 3.58Å; L43-Y102 WeakPolarHBondContact O-CA 3.32Å; L43-K103 PolarHBondContact O-N 3.35Å; L43-A145 HydrophobicContact CD2-CB 4.24Å; L43-V397 HydrophobicContact CD1-CG1 4.2Å; L43-V400 HydrophobicContact CD1-CG1 4.41Å; L43-V400 HydrophobicContact CD2-CG1 3.7Å
44	G	97.9	Very high	89.9	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.5	173.9	0	0	0	0	0	109.9	K103 A145 V146 I147	G44-K103 CarbonylContact C-O 3.51Å; G44-A145 PolarHBondContact N-O 3.35Å; G44-V146 CarbonylContact O-C 3.53Å; G44-V146 WeakPolarHBondContact O-CA 3.38Å; G44-I147 PolarHBondContact O-N 3.29Å
45	G	97.6	Very high	88.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.3	175.5	0	0	0	0	0	111.3	K103 M104 Y105	G45-K103 PolarHBondContact N-O 3.02Å; G45-M104 CarbonylContact O-C 3.54Å; G45-M104 WeakPolarHBondContact O-CA 3.39Å; G45-Y105 PolarHBondContact O-N 3.23Å
46	L	97.5	Very high	86.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	98.3	174.9	-65.7	176.9	0	0	0	109.6	T107 P117 F121 V146 I147 P149 I158 Y172	L46-T107 HydrophobicContact CB-CG2 3.78Å; L46-T107 HydrophobicContact CD2-CG2 4.49Å; L46-P117 HydrophobicContact CD2-CB 3.94Å; L46-P117 HydrophobicContact CD2-CG 3.7Å; L46-F121 HydrophobicContact CD1-CE2 4.32Å; L46-F121 HydrophobicContact CD2-CE2 3.79Å; L46-F121 HydrophobicContact CD2-CZ 4.08Å; L46-F121 HydrophobicContact CG-CE2 3.9Å; L46-F121 HydrophobicContact CG-CZ 4.45Å; L46-V146 HydrophobicContact CD1-CG1 3.92Å; L46-V146 HydrophobicContact CG-CG1 4.22Å; L46-I147 PolarHBondContact N-O 3.05Å; L46-P149 HydrophobicContact CB-CB 4.03Å; L46-P149 HydrophobicContact CD1-CB 4.34Å; L46-I158 HydrophobicContact CD1-CD1 3.49Å; L46-I158 VanDerWaalsContact CD1-CD1 3.49Å; L46-Y172 PolarHBondContact O-OH 2.96Å
47	F	96	Very high	84.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.6	-176.4	-62.3	-82	0	0	0	111.5	I49 F77 M81 M104 Y105 D106 T107 I147 Y172 V393	F47-I49 HydrophobicContact CB-CG1 4.07Å; F47-I49 PolarHBondContact O-N 3.2Å; F47-F77 HydrophobicContact CD1-CB 3.62Å; F47-F77 HydrophobicContact CE1-CB 3.9Å; F47-M81 HydrophobicContact CE2-CB 4.08Å; F47-M81 HydrophobicContact CE2-CG 4.43Å; F47-M81 HydrophobicContact CE2-SD 3.48Å; F47-M81 WeakPolarHBondContact CE2-SD 3.49Å; F47-M81 HydrophobicContact CZ-CB 3.68Å; F47-M81 HydrophobicContact CZ-CG 4.27Å; F47-M81 HydrophobicContact CZ-SD 3.68Å; F47-M104 HydrophobicContact CD2-CB 4.32Å; F47-M104 HydrophobicContact CD2-CG 4.26Å; F47-M104 HydrophobicContact CD2-SD 4.15Å; F47-M104 HydrophobicContact CE2-CG 4.12Å; F47-M104 HydrophobicContact CE2-SD 3.99Å; F47-Y105 PolarHBondContact N-O 3.13Å; F47-Y105 VanDerWaalsContact N-O 3.14Å; F47-D106 WeakPolarHBondContact O-CA 3.48Å; F47-T107 PolarHBondContact O-N 3.25Å; F47-I147 HydrophobicContact CZ-CG2 4.29Å; F47-Y172 AromaticContact CD1-CE1 3.89Å; F47-Y172 HydrophobicContact CD1-CE1 3.89Å; F47-Y172 AromaticContact CD1-CZ 3.68Å; F47-Y172 WeakPolarHBondContact CD1-OH 3.23Å; F47-Y172 HydrophobicContact CE1-CD1 4.32Å; F47-Y172 AromaticContact CE1-CE1 3.54Å; F47-Y172 HydrophobicContact CE1-CE1 3.54Å; F47-Y172 AromaticContact CE1-CZ 3.73Å; F47-Y172 HydrophobicContact CZ-CE1 4.32Å; F47-V393 HydrophobicContact CE1-CG1 4.13Å; F47-V393 HydrophobicContact CE1-CG2 4.22Å; F47-V393 HydrophobicContact CZ-CG1 4.2Å
48	P	93.8	Very high	82.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.013	28%	0.278	C	S	.	.			trans	-80.1	69.6	177.3	32.8	-33.7	0	0	0	110.4	N71 G74 T107 R109 Y150 Y172	P48-N71 WeakPolarHBondContact O-CB 3.18Å; P48-N71 VanDerWaalsContact O-CG 3.31Å; P48-N71 PolarHBondContact O-ND2 3.04Å; P48-G74 WeakPolarHBondContact O-CA 3.37Å; P48-T107 VanDerWaalsContact CA-OG1 3.23Å; P48-T107 WeakPolarHBondContact CA-OG1 3.35Å; P48-T107 WeakPolarHBondContact CB-OG1 3.38Å; P48-R109 HydrophobicContact CB-CG 3.6Å; P48-Y150 HydrophobicContact CG-CD1 4.4Å; P48-Y172 WeakPolarHBondContact CD-OH 3.34Å
49	I	92.8	Very high	81.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.268	C	S	.	.			trans	-66.7	-40.6	-173.5	-63.2	163.4	0	0	0	111	F35 F47 L70 N71 D106 P366 C367	F35-I49 HydrophobicContact CD1-CD1 3.76Å; F35-I49 HydrophobicContact CE1-CD1 3.46Å; F35-I49 VanDerWaalsContact CE1-CD1 3.46Å; F35-I49 HydrophobicContact CE1-CG1 4.2Å; F35-I49 HydrophobicContact CZ-CD1 4.24Å; F35-I49 HydrophobicContact CZ-CG2 4.41Å; F47-I49 HydrophobicContact CB-CG1 4.07Å; F47-I49 PolarHBondContact O-N 3.2Å; I49-L70 HydrophobicContact CG2-CD1 4.27Å; I49-L70 WeakPolarHBondContact O-CD1 3.3Å; I49-N71 WeakPolarHBondContact O-CB 3.32Å; I49-N71 PolarHBondContact O-N 3.24Å; I49-D106 HydrophobicContact CB-CB 4.14Å; I49-D106 HydrophobicContact CD1-CB 4.16Å; I49-D106 PolarHBondContact N-OD1 2.86Å; I49-P366 HydrophobicContact CD1-CB 3.92Å; I49-P366 HydrophobicContact CD1-CG 3.65Å; I49-C367 HydrophobicContact CG2-CB 3.91Å
50	N	90.1	Very high	80.3	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.053	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	172.1	173.1	-57.6	-74.8	0	0	0	111	C67 S69 D106 C108 P366 Q369	N50-C67 HydrophobicContact CB-CB 3.93Å; N50-S69 CarbonylContact C-O 3.39Å; N50-S69 WeakPolarHBondContact CA-O 3.47Å; N50-S69 WeakPolarHBondContact CB-O 3.34Å; N50-D106 VanDerWaalsContact CB-OD2 3.29Å; N50-D106 WeakPolarHBondContact CB-OD2 3.38Å; N50-D106 PolarHBondContact N-OD1 3.45Å; N50-D106 PolarHBondContact N-OD2 3.36Å; N50-D106 PolarHBondContact ND2-OD2 3.42Å; N50-C108 WeakPolarHBondContact O-CA 3.32Å; N50-P366 PolarHBondContact ND2-O 3.05Å; N50-Q369 PolarHBondContact OD1-NE2 3.02Å; N50-Q369 VanDerWaalsContact OD1-NE2 3.15Å
51	Q	82.5	Confident	79.3	Confident	51 Å²	51	52.2 Å²	52.2	24%	0.238	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.7	168.3	-48	-169.4	-13.3	0	0	109.9	E68 S69 N71	Q51-E68 PolarHBondContact O-N 3.17Å; Q51-S69 PolarHBondContact N-O 2.99Å; Q51-N71 HydrophobicContact CG-CB 3.64Å
52	Q	76.2	Confident	77.9	Confident	52 Å²	52	57.9 Å²	57.9	24%	0.243	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.8	176.6	-176.6	172.1	7.5	0	0	110.9	S55 I65 H110	Q52-S55 PolarHBondContact NE2-OG 3.14Å; Q52-I65 HydrophobicContact CG-CG2 4.34Å; Q52-H110 PolarHBondContact OE1-CD2 3.07Å
53	S	64.7	Low	76.6	Confident	55 Å²	55	64 Å²	64	39%	0.385	37%	0.369	S	S	.	.			trans	-75.3	130.5	167.7	-164.3	0	0	0	0	108.8	S55 K66 E68	S53-S55 PolarHBondContact O-N 3.43Å; S53-K66 PolarHBondContact N-O 3.13Å; S53-E68 WeakPolarHBondContact CB-OE2 3.31Å; S53-E68 PolarHBondContact OG-OE2 3.39Å
54	N	56.6	Low	75.3	Confident	151 Å²	151	66.3 Å²	66.3	81%	0.807	39%	0.385	S	S	*	.			trans	-44.9	93.3	-175.3	-85.1	0.1	0	0	0	112.4	N56	N54-N56 PolarHBondContact O-N 2.91Å
55	S	52.5	Low	74.1	Confident	61 Å²	61	67.5 Å²	67.5	43%	0.427	39%	0.391	S	S	.	.			trans	-98.5	87.8	174.1	64.6	0	0	0	0	107.7	Q52 S53 G57	Q52-S55 PolarHBondContact NE2-OG 3.14Å; S53-S55 PolarHBondContact O-N 3.43Å; S55-G57 PolarHBondContact O-N 3.01Å
56	N	51.9	Low	73.1	Confident	155 Å²	155	74 Å²	74	83%	0.829	42%	0.42	S	S	*	.			trans	-72.1	33	174.8	-67.1	-2.8	0	0	0	112.4	N54	N54-N56 PolarHBondContact O-N 2.91Å
57	G	57.5	Low	72.3	Confident	51 Å²	51	76.3 Å²	76.3	53%	0.526	44%	0.435	S	S	.	.	S	Bend	trans	-125.3	150.9	-173.6	0	0	0	0	0	112.3	S55 I59	S55-G57 PolarHBondContact O-N 3.01Å; G57-I59 PolarHBondContact O-N 3.49Å
58	L	60.9	Low	71.2	Confident	168 Å²	168	81.9 Å²	81.9	88%	0.88	46%	0.461	S	S	*	.			trans	-60.3	129	171.4	-167.8	78.5	0	0	0	109.5	S60	L58-S60 PolarHBondContact O-N 3.33Å
59	I	65.4	Low	70.7	Confident	85 Å²	85	84.4 Å²	84.4	44%	0.436	48%	0.479	S	S	.	.			trans	-64.7	102.5	172.3	-61.7	175	0	0	0	107.7	G57 E61 S64 I65	G57-I59 PolarHBondContact O-N 3.49Å; I59-E61 WeakPolarHBondContact CG2-O 3.45Å; I59-S64 WeakPolarHBondContact CG2-OG 3.25Å; I59-I65 HydrophobicContact CD1-CD1 4.23Å; I59-I65 HydrophobicContact CD1-CG1 4.36Å
60	S	69.1	Low	70.5	Confident	101 Å²	101	87.2 Å²	87.2	71%	0.706	49%	0.493	S	S	*	.			trans	-91.4	-18.9	178.1	59	0	0	0	0	112.9	L58	L58-S60 PolarHBondContact O-N 3.33Å
61	E	72.9	Confident	70.5	Confident	126 Å²	126	87.2 Å²	87.2	59%	0.589	49%	0.493	S	S	*	.	S	Bend	trans	-138.6	143.5	-176.6	-64.4	-177.7	-176.8	0	0	111.7	I59 N63 S64	I59-E61 WeakPolarHBondContact CG2-O 3.45Å; E61-N63 PolarHBondContact O-N 2.8Å; E61-N63 VanDerWaalsContact O-N 3.14Å; E61-S64 WeakPolarHBondContact O-CB 3.4Å; E61-S64 PolarHBondContact O-N 3.08Å; E61-S64 VanDerWaalsContact O-N 3.14Å; E61-S64 PolarHBondContact O-OG 3.22Å
62	P	66.1	Low	70.9	Confident	122 Å²	122	90 Å²	90	79%	0.792	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.9	-177.5	-27.1	35.1	0	0	0	115.7
63	N	69.4	Low	71.6	Confident	155 Å²	155	89.8 Å²	89.8	83%	0.829	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	18.4	-177.8	-63.8	-38.1	0	0	0	113	E61 I65	E61-N63 PolarHBondContact O-N 2.8Å; E61-N63 VanDerWaalsContact O-N 3.14Å; N63-I65 VanDerWaalsContact C-N 3.31Å; N63-I65 PolarHBondContact O-N 2.86Å
64	S	69.7	Low	72.9	Confident	47 Å²	47	87.2 Å²	87.2	33%	0.329	49%	0.485	S	S	.	.			trans	-78.8	-11.9	-176.2	58.5	0	0	0	0	114.2	I59 E61 K66	I59-S64 WeakPolarHBondContact CG2-OG 3.25Å; E61-S64 WeakPolarHBondContact O-CB 3.4Å; E61-S64 PolarHBondContact O-N 3.08Å; E61-S64 VanDerWaalsContact O-N 3.14Å; E61-S64 PolarHBondContact O-OG 3.22Å; S64-K66 PolarHBondContact O-N 3.28Å
65	I	73.6	Confident	74.7	Confident	25 Å²	25	80 Å²	80	13%	0.128	45%	0.447	C	S	.	.			trans	-76.3	120.4	179.7	-58.4	171.8	0	0	0	109.7	Q52 I59 N63 H110 S112	Q52-I65 HydrophobicContact CG-CG2 4.34Å; I59-I65 HydrophobicContact CD1-CD1 4.23Å; I59-I65 HydrophobicContact CD1-CG1 4.36Å; N63-I65 VanDerWaalsContact C-N 3.31Å; N63-I65 PolarHBondContact O-N 2.86Å; I65-H110 WeakPolarHBondContact CD1-ND1 3.36Å; I65-S112 WeakPolarHBondContact CD1-OG 3.4Å
66	K	76.5	Confident	76.7	Confident	138 Å²	138	77.1 Å²	77.1	60%	0.6	43%	0.427	S	S	*	.			trans	-109.2	127.7	177.3	-64.2	-174.4	-178.9	-179.8	0	111.2	S53 S64 E68	S53-K66 PolarHBondContact N-O 3.13Å; S64-K66 PolarHBondContact O-N 3.28Å; K66-E68 HydrophobicContact CB-CG 4.08Å; K66-E68 WeakPolarHBondContact CD-OE1 3.47Å
67	C	80.2	Confident	78.8	Confident	48 Å²	48	70 Å²	70	32%	0.324	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	102.5	-179.7	-53.5	0	0	0	0	107.6	N50 C108	N50-C67 HydrophobicContact CB-CB 3.93Å; C67-C108 VanDerWaalsContact CA-SG 3.6Å; C67-C108 HydrophobicContact CB-CB 3.84Å; C67-C108 WeakPolarHBondContact CB-SG 3.32Å; C67-C108 WeakPolarHBondContact SG-CB 3.28Å; C67-C108 CovalentContact SG-SG 2.02Å; C67-C108 PolarHBondContact SG-SG 3.2Å
68	E	74	Confident	80.6	Confident	117 Å²	117	67.6 Å²	67.6	55%	0.547	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	-27	-164	-63.6	-178.4	166.9	0	0	113.1	Q51 S53 K66	Q51-E68 PolarHBondContact O-N 3.17Å; S53-E68 WeakPolarHBondContact CB-OE2 3.31Å; S53-E68 PolarHBondContact OG-OE2 3.39Å; K66-E68 HydrophobicContact CB-CG 4.08Å; K66-E68 WeakPolarHBondContact CD-OE1 3.47Å
69	S	82.3	Confident	82.3	Confident	55 Å²	55	60 Å²	60	39%	0.385	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.4	-178.6	59.5	0	0	0	0	112	N50 Q51	N50-S69 CarbonylContact C-O 3.39Å; N50-S69 WeakPolarHBondContact CA-O 3.47Å; N50-S69 WeakPolarHBondContact CB-O 3.34Å; Q51-S69 PolarHBondContact N-O 2.99Å
70	L	88.4	Confident	83.8	Confident	59 Å²	59	55.9 Å²	55.9	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.5	176.8	-173.9	69.9	0	0	0	110.5	I49 L75	I49-L70 HydrophobicContact CG2-CD1 4.27Å; I49-L70 WeakPolarHBondContact O-CD1 3.3Å; L70-L75 HydrophobicContact CD1-CD2 4.16Å; L70-L75 HydrophobicContact CD2-CD2 4.02Å
71	N	90.1	Very high	85.2	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.053	27%	0.269	C	S	.	.			trans	-98.8	100.8	169.3	-173.7	-6.2	0	0	0	109.7	P48 I49 Q51 Y73 G74 L75	P48-N71 WeakPolarHBondContact O-CB 3.18Å; P48-N71 VanDerWaalsContact O-CG 3.31Å; P48-N71 PolarHBondContact O-ND2 3.04Å; I49-N71 WeakPolarHBondContact O-CB 3.32Å; I49-N71 PolarHBondContact O-N 3.24Å; Q51-N71 HydrophobicContact CG-CB 3.64Å; N71-Y73 VanDerWaalsContact C-N 3.27Å; N71-Y73 PolarHBondContact O-N 3.3Å; N71-Y73 PolarHBondContact OD1-N 2.91Å; N71-G74 PolarHBondContact O-N 3.41Å; N71-G74 VanDerWaalsContact O-N 3.16Å; N71-G74 PolarHBondContact OD1-N 3.41Å; N71-L75 PolarHBondContact O-N 2.98Å
72	E	90.6	Very high	86.3	Confident	108 Å²	108	45.1 Å²	45.1	51%	0.505	24%	0.241	S	C	.	.	H	α-helix	trans	-56.3	-39.5	-178.2	-68.5	-170.2	170.8	0	0	113.1	G76 L380	E72-G76 PolarHBondContact O-N 2.99Å; E72-L380 HydrophobicContact CB-CD2 3.63Å; E72-L380 HydrophobicContact CG-CD2 3.77Å
73	Y	90.7	Very high	87.7	Confident	49 Å²	49	39.6 Å²	39.6	19%	0.192	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-46.4	177.5	-58.7	-90	0	0	0	111.9	N71 G76 F77 H307 N308 D383 A385 V386	N71-Y73 VanDerWaalsContact C-N 3.27Å; N71-Y73 PolarHBondContact O-N 3.3Å; N71-Y73 PolarHBondContact OD1-N 2.91Å; Y73-G76 WeakPolarHBondContact O-CA 3.49Å; Y73-G76 PolarHBondContact O-N 3.49Å; Y73-F77 VanDerWaalsContact O-CD2 3.26Å; Y73-F77 WeakPolarHBondContact O-CD2 3.43Å; Y73-F77 VanDerWaalsContact O-CG 3.23Å; Y73-F77 WeakPolarHBondContact O-CG 3.32Å; Y73-F77 PolarHBondContact O-N 3.27Å; Y73-H307 AromaticContact CE2-CE1 3.96Å; Y73-H307 AromaticContact CZ-CE1 3.79Å; Y73-H307 AromaticContact CZ-NE2 3.87Å; Y73-N308 WeakPolarHBondContact OH-CB 3.23Å; Y73-D383 VanDerWaalsContact CE1-CG 3.48Å; Y73-D383 WeakPolarHBondContact CE1-OD1 3.01Å; Y73-A385 HydrophobicContact CD1-CB 4.16Å; Y73-A385 HydrophobicContact CE1-CB 4.05Å; Y73-V386 HydrophobicContact CD1-CG2 3.84Å; Y73-V386 HydrophobicContact CG-CG2 4.47Å
74	G	92.7	Very high	89	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-39.2	-179.2	0	0	0	0	0	112.8	P48 N71 F77 S78	P48-G74 WeakPolarHBondContact O-CA 3.37Å; N71-G74 PolarHBondContact O-N 3.41Å; N71-G74 VanDerWaalsContact O-N 3.16Å; N71-G74 PolarHBondContact OD1-N 3.41Å; G74-F77 PolarHBondContact O-N 2.98Å; G74-S78 PolarHBondContact O-N 2.94Å; G74-S78 VanDerWaalsContact O-N 3.11Å
75	L	93.9	Very high	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-42.8	170.6	180	62.6	0	0	0	111.2	F35 L70 N71 F77 S78 L79 L373 L380	F35-L75 HydrophobicContact CE1-CD1 4.21Å; F35-L75 HydrophobicContact CZ-CD1 4.03Å; L70-L75 HydrophobicContact CD1-CD2 4.16Å; L70-L75 HydrophobicContact CD2-CD2 4.02Å; N71-L75 PolarHBondContact O-N 2.98Å; L75-F77 VanDerWaalsContact C-N 3.32Å; L75-F77 PolarHBondContact O-N 3.01Å; L75-S78 PolarHBondContact O-N 3.1Å; L75-S78 PolarHBondContact O-OG 3.37Å; L75-L79 WeakPolarHBondContact O-CG 3.46Å; L75-L79 PolarHBondContact O-N 3.21Å; L75-L373 HydrophobicContact CD2-CD1 4.26Å; L75-L380 HydrophobicContact CD2-CD1 3.77Å; L75-L380 HydrophobicContact CD2-CD2 4.15Å; L75-L380 HydrophobicContact CG-CD1 4.44Å
76	G	94.9	Very high	91.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.2	-46.9	173.3	0	0	0	0	0	112.3	E72 Y73 S78 L79 V80	E72-G76 PolarHBondContact O-N 2.99Å; Y73-G76 WeakPolarHBondContact O-CA 3.49Å; Y73-G76 PolarHBondContact O-N 3.49Å; G76-S78 PolarHBondContact O-N 3.47Å; G76-L79 WeakPolarHBondContact O-CB 3.45Å; G76-L79 PolarHBondContact O-N 3.32Å; G76-V80 WeakPolarHBondContact O-CG2 3.5Å; G76-V80 PolarHBondContact O-N 3.42Å; G76-V80 VanDerWaalsContact O-N 3.13Å
77	F	95.8	Very high	92.2	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.022	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-41.3	176.5	-57.2	-34.5	0	0	0	113	F47 Y73 G74 L75 L79 V80 M81 Y150 Y172 V386 L389 V393	F47-F77 HydrophobicContact CD1-CB 3.62Å; F47-F77 HydrophobicContact CE1-CB 3.9Å; Y73-F77 VanDerWaalsContact O-CD2 3.26Å; Y73-F77 WeakPolarHBondContact O-CD2 3.43Å; Y73-F77 VanDerWaalsContact O-CG 3.23Å; Y73-F77 WeakPolarHBondContact O-CG 3.32Å; Y73-F77 PolarHBondContact O-N 3.27Å; G74-F77 PolarHBondContact O-N 2.98Å; L75-F77 VanDerWaalsContact C-N 3.32Å; L75-F77 PolarHBondContact O-N 3.01Å; F77-L79 VanDerWaalsContact C-N 3.32Å; F77-L79 PolarHBondContact O-N 3.34Å; F77-V80 WeakPolarHBondContact O-CB 3.45Å; F77-V80 PolarHBondContact O-N 3.05Å; F77-V80 VanDerWaalsContact O-N 3.13Å; F77-M81 PolarHBondContact O-N 3.27Å; F77-Y150 HydrophobicContact CE2-CD2 4.38Å; F77-Y150 HydrophobicContact CE2-CE2 4.33Å; F77-Y172 HydrophobicContact CB-CE2 4.33Å; F77-Y172 AromaticContact CD2-CE2 3.8Å; F77-Y172 HydrophobicContact CD2-CE2 3.8Å; F77-Y172 HydrophobicContact CE2-CE2 4.34Å; F77-Y172 HydrophobicContact CG-CE2 4.09Å; F77-V386 HydrophobicContact CD1-CG1 4.35Å; F77-V386 HydrophobicContact CE1-CB 4.43Å; F77-V386 HydrophobicContact CE1-CG1 4.44Å; F77-V386 HydrophobicContact CE1-CG2 4.25Å; F77-L389 HydrophobicContact CD1-CB 4.28Å; F77-L389 HydrophobicContact CE1-CB 3.54Å; F77-L389 HydrophobicContact CE1-CD1 4.14Å; F77-L389 HydrophobicContact CE1-CG 4.49Å; F77-L389 HydrophobicContact CE2-CD1 4.47Å; F77-L389 HydrophobicContact CZ-CB 3.96Å; F77-L389 HydrophobicContact CZ-CD1 3.67Å; F77-L389 HydrophobicContact CZ-CG 4.48Å; F77-V393 HydrophobicContact CB-CG2 4.17Å
78	S	96.3	Very high	92.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-66.1	-37.1	178.1	77.1	0	0	0	0	111.6	G74 L75 G76 V80 M81 K82 M104	G74-S78 PolarHBondContact O-N 2.94Å; G74-S78 VanDerWaalsContact O-N 3.11Å; L75-S78 PolarHBondContact O-N 3.1Å; L75-S78 PolarHBondContact O-OG 3.37Å; G76-S78 PolarHBondContact O-N 3.47Å; S78-V80 PolarHBondContact O-N 3.48Å; S78-M81 PolarHBondContact O-N 3.38Å; S78-K82 PolarHBondContact O-N 2.97Å; S78-K82 VanDerWaalsContact O-N 3.09Å; S78-M104 WeakPolarHBondContact O-CE 3.31Å
79	L	95.9	Very high	93.9	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-62.8	-31.7	173.2	-66.3	179.5	0	0	0	112.3	L34 L75 G76 F77 K82 Y83 L342 L380 V381	L34-L79 HydrophobicContact CD2-CD2 3.76Å; L75-L79 WeakPolarHBondContact O-CG 3.46Å; L75-L79 PolarHBondContact O-N 3.21Å; G76-L79 WeakPolarHBondContact O-CB 3.45Å; G76-L79 PolarHBondContact O-N 3.32Å; F77-L79 VanDerWaalsContact C-N 3.32Å; F77-L79 PolarHBondContact O-N 3.34Å; L79-K82 PolarHBondContact O-N 3.12Å; L79-Y83 WeakPolarHBondContact O-CB 3.32Å; L79-Y83 PolarHBondContact O-N 3.25Å; L79-L342 HydrophobicContact CD2-CD2 3.93Å; L79-L380 HydrophobicContact CD1-CD1 4.46Å; L79-V381 HydrophobicContact CD1-CG1 4.36Å
80	V	97.1	Very high	94.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70.7	-38.8	175.5	-179.9	0	0	0	0	112	G76 F77 S78 K82 Y83 A84 L332 L335 G390 V393	G76-V80 WeakPolarHBondContact O-CG2 3.5Å; G76-V80 PolarHBondContact O-N 3.42Å; G76-V80 VanDerWaalsContact O-N 3.13Å; F77-V80 WeakPolarHBondContact O-CB 3.45Å; F77-V80 PolarHBondContact O-N 3.05Å; F77-V80 VanDerWaalsContact O-N 3.13Å; S78-V80 PolarHBondContact O-N 3.48Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.43Å; V80-Y83 WeakPolarHBondContact O-CB 3.37Å; V80-Y83 PolarHBondContact O-N 3.33Å; V80-A84 PolarHBondContact O-N 3.02Å; V80-L332 HydrophobicContact CG1-CD1 3.85Å; V80-L335 HydrophobicContact CG2-CD1 3.88Å; V80-L335 HydrophobicContact CG2-CD2 3.89Å; V80-G390 VanDerWaalsContact CG1-O 3.22Å; V80-G390 WeakPolarHBondContact CG1-O 3.42Å; V80-V393 HydrophobicContact CB-CB 4.38Å; V80-V393 HydrophobicContact CB-CG1 4.21Å; V80-V393 HydrophobicContact CG1-CB 4.11Å; V80-V393 HydrophobicContact CG1-CG1 4.15Å
81	M	97.4	Very high	94.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-41.5	172.5	179.6	177.3	-179.6	0	0	110.8	L43 F47 F77 S78 A84 V85 M104 I147 V393 V397	L43-M81 HydrophobicContact CB-CE 3.6Å; L43-M81 HydrophobicContact CD1-CE 4.36Å; F47-M81 HydrophobicContact CE2-CB 4.08Å; F47-M81 HydrophobicContact CE2-CG 4.43Å; F47-M81 HydrophobicContact CE2-SD 3.48Å; F47-M81 WeakPolarHBondContact CE2-SD 3.49Å; F47-M81 HydrophobicContact CZ-CB 3.68Å; F47-M81 HydrophobicContact CZ-CG 4.27Å; F47-M81 HydrophobicContact CZ-SD 3.68Å; F77-M81 PolarHBondContact O-N 3.27Å; S78-M81 PolarHBondContact O-N 3.38Å; M81-A84 PolarHBondContact O-N 3.44Å; M81-V85 WeakPolarHBondContact O-CG2 3.47Å; M81-V85 PolarHBondContact O-N 3.26Å; M81-M104 HydrophobicContact CB-CE 3.62Å; M81-M104 HydrophobicContact CG-CE 3.56Å; M81-M104 HydrophobicContact SD-CE 3.78Å; M81-M104 HydrophobicContact SD-CG 4.24Å; M81-M104 HydrophobicContact SD-SD 4.43Å; M81-I147 HydrophobicContact CE-CB 4.32Å; M81-I147 HydrophobicContact CE-CG1 3.91Å; M81-I147 HydrophobicContact SD-CB 4.12Å; M81-I147 HydrophobicContact SD-CG1 4.27Å; M81-I147 HydrophobicContact SD-CG2 4.47Å; M81-V393 HydrophobicContact CB-CG1 3.88Å; M81-V397 HydrophobicContact CB-CG2 4.37Å; M81-V397 HydrophobicContact CG-CG2 3.79Å
82	K	96.4	Very high	94.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-47.3	174.3	178.3	177.4	172	48.2	0	111.3	T31 L34 S78 L79 V80 A84 V85 D86 Y102 M104 Y338 L342	T31-K82 WeakPolarHBondContact O-CE 3.45Å; T31-K82 PolarHBondContact O-NZ 3.31Å; T31-K82 PolarHBondContact OG1-NZ 3.12Å; L34-K82 HydrophobicContact CD2-CD 4.2Å; S78-K82 PolarHBondContact O-N 2.97Å; S78-K82 VanDerWaalsContact O-N 3.09Å; L79-K82 PolarHBondContact O-N 3.12Å; V80-K82 VanDerWaalsContact C-N 3.29Å; V80-K82 PolarHBondContact O-N 3.43Å; K82-A84 VanDerWaalsContact C-N 3.34Å; K82-A84 PolarHBondContact O-N 3.39Å; K82-V85 PolarHBondContact O-N 2.83Å; K82-D86 WeakPolarHBondContact CE-OD2 3.32Å; K82-D86 IonicContact NZ-OD1 3.27Å; K82-D86 IonicContact NZ-OD2 2.9Å; K82-D86 PolarHBondContact NZ-OD2 3.43Å; K82-D86 WeakPolarHBondContact O-CB 3.45Å; K82-D86 PolarHBondContact O-N 3.37Å; K82-Y102 HydrophobicContact CB-CE1 4.32Å; K82-Y102 WeakPolarHBondContact CD-OH 3.5Å; K82-Y102 HydrophobicContact CG-CE1 4.17Å; K82-Y102 VanDerWaalsContact CG-OH 3.3Å; K82-Y102 WeakPolarHBondContact CG-OH 3.38Å; K82-Y102 PolarHBondContact NZ-OH 2.95Å; K82-M104 HydrophobicContact CB-CE 4.14Å; K82-Y338 WeakPolarHBondContact CE-OH 3.2Å; K82-Y338 WeakPolarHBondContact CG-OH 3.48Å; K82-L342 HydrophobicContact CD-CD2 4.02Å
83	Y	96	Very high	94	Very high	6 Å²	6	25 Å²	25	2%	0.024	13%	0.13	C	C	.	.	H	α-helix	trans	-54	-49	175.4	165.8	-115.6	0	0	0	112	W26 L79 V80 V85 D86 E87 L332 L334 L335 Y338 Y394	W26-Y83 HydrophobicContact CH2-CD2 4Å; W26-Y83 AromaticContact CH2-CE2 3.9Å; W26-Y83 HydrophobicContact CH2-CE2 3.9Å; W26-Y83 HydrophobicContact CZ2-CE2 4.19Å; L79-Y83 WeakPolarHBondContact O-CB 3.32Å; L79-Y83 PolarHBondContact O-N 3.25Å; V80-Y83 WeakPolarHBondContact O-CB 3.37Å; V80-Y83 PolarHBondContact O-N 3.33Å; Y83-V85 PolarHBondContact O-N 3.41Å; Y83-D86 PolarHBondContact O-N 3Å; Y83-E87 VanDerWaalsContact O-CB 3.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.43Å; Y83-E87 PolarHBondContact O-N 3.42Å; Y83-L332 HydrophobicContact CD1-CD1 4.34Å; Y83-L332 HydrophobicContact CE1-CD1 4.18Å; Y83-L334 HydrophobicContact CE2-CB 4.44Å; Y83-L335 HydrophobicContact CD1-CD1 4.07Å; Y83-L335 HydrophobicContact CG-CD1 4.13Å; Y83-Y338 AromaticContact CD2-CD1 3.56Å; Y83-Y338 HydrophobicContact CD2-CD1 3.56Å; Y83-Y338 AromaticContact CD2-CD2 3.76Å; Y83-Y338 HydrophobicContact CD2-CD2 3.76Å; Y83-Y338 HydrophobicContact CD2-CE1 4.14Å; Y83-Y338 HydrophobicContact CD2-CE2 4.31Å; Y83-Y338 AromaticContact CD2-CG 3.35Å; Y83-Y338 HydrophobicContact CD2-CG 3.35Å; Y83-Y338 HydrophobicContact CE2-CD2 4.44Å; Y83-Y338 HydrophobicContact CE2-CG 4.08Å; Y83-Y338 AromaticContact CG-CD1 3.92Å; Y83-Y338 HydrophobicContact CG-CD1 3.92Å; Y83-Y338 HydrophobicContact CG-CE1 4.31Å; Y83-Y338 HydrophobicContact CG-CG 4.19Å; Y83-Y394 AromaticContact CD1-CD2 3.81Å; Y83-Y394 HydrophobicContact CD1-CD2 3.81Å; Y83-Y394 HydrophobicContact CD1-CE2 4.02Å; Y83-Y394 AromaticContact CE1-CD2 3.61Å; Y83-Y394 HydrophobicContact CE1-CD2 3.61Å; Y83-Y394 AromaticContact CE1-CE2 3.44Å; Y83-Y394 HydrophobicContact CE1-CE2 3.44Å; Y83-Y394 VanDerWaalsContact CE1-CE2 3.44Å
84	A	96.2	Very high	94	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-45.3	-179.8	0	0	0	0	0	111.9	V80 M81 K82 E87 I88 Y394 V397 Y398	V80-A84 PolarHBondContact O-N 3.02Å; M81-A84 PolarHBondContact O-N 3.44Å; K82-A84 VanDerWaalsContact C-N 3.34Å; K82-A84 PolarHBondContact O-N 3.39Å; A84-E87 PolarHBondContact O-N 3.21Å; A84-I88 WeakPolarHBondContact O-CB 3.42Å; A84-I88 WeakPolarHBondContact O-CD1 3.37Å; A84-I88 WeakPolarHBondContact O-CG1 3.32Å; A84-I88 PolarHBondContact O-N 2.9Å; A84-Y394 HydrophobicContact CB-CD2 3.72Å; A84-Y394 HydrophobicContact CB-CE2 4.21Å; A84-Y394 HydrophobicContact CB-CG 4.43Å; A84-V397 HydrophobicContact CB-CB 3.83Å; A84-V397 HydrophobicContact CB-CG1 3.8Å; A84-V397 HydrophobicContact CB-CG2 4.14Å; A84-Y398 HydrophobicContact CB-CD2 4.38Å; A84-Y398 HydrophobicContact CB-CE2 4.35Å
85	V	97	Very high	94.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.2	-44.1	179.6	173.4	0	0	0	0	112	L37 M81 K82 Y83 E87 I88 N89 L100 Y102 V397	L37-V85 HydrophobicContact CD2-CG1 3.9Å; M81-V85 WeakPolarHBondContact O-CG2 3.47Å; M81-V85 PolarHBondContact O-N 3.26Å; K82-V85 PolarHBondContact O-N 2.83Å; Y83-V85 PolarHBondContact O-N 3.41Å; V85-E87 VanDerWaalsContact C-N 3.29Å; V85-E87 PolarHBondContact O-N 3.5Å; V85-I88 PolarHBondContact O-N 3.12Å; V85-N89 WeakPolarHBondContact O-CB 3.18Å; V85-N89 PolarHBondContact O-N 3.48Å; V85-N89 PolarHBondContact O-ND2 3.37Å; V85-L100 HydrophobicContact CG1-CB 4.16Å; V85-L100 HydrophobicContact CG1-CD2 4.46Å; V85-L100 HydrophobicContact CG1-CG 4.3Å; V85-L100 VanDerWaalsContact CG1-O 3.25Å; V85-L100 WeakPolarHBondContact CG1-O 3.36Å; V85-L100 HydrophobicContact CG2-CD2 4.01Å; V85-L100 HydrophobicContact CG2-CG 4.41Å; V85-Y102 HydrophobicContact CB-CD1 3.97Å; V85-Y102 HydrophobicContact CB-CE1 4.29Å; V85-Y102 HydrophobicContact CG1-CD1 3.9Å; V85-Y102 HydrophobicContact CG1-CE1 4.27Å; V85-Y102 HydrophobicContact CG2-CD1 3.98Å; V85-V397 HydrophobicContact CG2-CG1 3.92Å
86	D	95.9	Very high	94	Very high	15 Å²	15	24.1 Å²	24.1	8%	0.08	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-35.6	178.6	-75.5	-16.3	0	0	0	111.2	W26 K82 Y83 G90 Y338	W26-D86 HydrophobicContact CE3-CB 4.43Å; W26-D86 HydrophobicContact CZ3-CB 3.83Å; K82-D86 WeakPolarHBondContact CE-OD2 3.32Å; K82-D86 IonicContact NZ-OD1 3.27Å; K82-D86 IonicContact NZ-OD2 2.9Å; K82-D86 PolarHBondContact NZ-OD2 3.43Å; K82-D86 WeakPolarHBondContact O-CB 3.45Å; K82-D86 PolarHBondContact O-N 3.37Å; Y83-D86 PolarHBondContact O-N 3Å; D86-G90 PolarHBondContact O-N 3.29Å; D86-G90 VanDerWaalsContact O-N 3.07Å; D86-Y338 HydrophobicContact CB-CE2 4.27Å; D86-Y338 PolarHBondContact OD2-OH 2.87Å
87	E	94.5	Very high	93.7	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.056	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-46.7	174	-174.2	-175.2	-151.3	0	0	112.2	W26 Y83 A84 V85 N89 G90 K91 Y394 Y398	W26-E87 HydrophobicContact CH2-CB 3.68Å; W26-E87 HydrophobicContact CH2-CG 4.28Å; W26-E87 HydrophobicContact CZ2-CB 3.52Å; W26-E87 HydrophobicContact CZ2-CG 3.59Å; W26-E87 HydrophobicContact CZ3-CB 4.46Å; Y83-E87 VanDerWaalsContact O-CB 3.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.43Å; Y83-E87 PolarHBondContact O-N 3.42Å; A84-E87 PolarHBondContact O-N 3.21Å; V85-E87 VanDerWaalsContact C-N 3.29Å; V85-E87 PolarHBondContact O-N 3.5Å; E87-N89 VanDerWaalsContact C-N 3.35Å; E87-N89 PolarHBondContact O-N 3.28Å; E87-G90 PolarHBondContact O-N 3.44Å; E87-G90 VanDerWaalsContact O-N 3.1Å; E87-K91 HydrophobicContact CG-CD 4.21Å; E87-K91 WeakPolarHBondContact O-CG 3.44Å; E87-K91 PolarHBondContact O-N 3.42Å; E87-K91 VanDerWaalsContact O-N 3.11Å; E87-K91 WeakPolarHBondContact OE1-CE 3.38Å; E87-K91 IonicContact OE1-NZ 3.14Å; E87-K91 PolarHBondContact OE1-NZ 3.14Å; E87-K91 IonicContact OE2-NZ 3.75Å; E87-Y394 WeakPolarHBondContact OE2-CE2 3.34Å; E87-Y394 VanDerWaalsContact OE2-CZ 3.25Å; E87-Y394 PolarHBondContact OE2-OH 2.97Å; E87-Y398 PolarHBondContact OE2-OH 2.96Å
88	I	94.6	Very high	93.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-47.6	178.1	-70.7	160.6	0	0	0	110.1	A84 V85 G90 K91 L94 L95 L100 V397 Y398 A401	A84-I88 WeakPolarHBondContact O-CB 3.42Å; A84-I88 WeakPolarHBondContact O-CD1 3.37Å; A84-I88 WeakPolarHBondContact O-CG1 3.32Å; A84-I88 PolarHBondContact O-N 2.9Å; V85-I88 PolarHBondContact O-N 3.12Å; I88-G90 PolarHBondContact O-N 2.9Å; I88-K91 PolarHBondContact O-N 2.89Å; I88-K91 VanDerWaalsContact O-N 3.12Å; I88-L94 HydrophobicContact CG1-CD2 4.12Å; I88-L94 HydrophobicContact CG2-CD2 4.42Å; I88-L94 HydrophobicContact CG2-CG 4.38Å; I88-L95 HydrophobicContact CG2-CD1 4.26Å; I88-L100 HydrophobicContact CD1-CD2 4.23Å; I88-V397 HydrophobicContact CD1-CG1 3.8Å; I88-Y398 HydrophobicContact CD1-CD2 3.93Å; I88-Y398 HydrophobicContact CD1-CE2 3.84Å; I88-Y398 HydrophobicContact CD1-CG 4.4Å; I88-Y398 HydrophobicContact CG1-CD2 4.31Å; I88-Y398 HydrophobicContact CG1-CE1 4.26Å; I88-Y398 HydrophobicContact CG1-CE2 3.74Å; I88-A401 HydrophobicContact CD1-CB 3.71Å; I88-A401 HydrophobicContact CG2-CB 4.44Å
89	N	94.8	Very high	93.5	Very high	53 Å²	53	32.4 Å²	32.4	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-65.3	-22.4	177.4	-73	-29.6	0	0	0	113.5	V85 E87 L100	V85-N89 WeakPolarHBondContact O-CB 3.18Å; V85-N89 PolarHBondContact O-N 3.48Å; V85-N89 PolarHBondContact O-ND2 3.37Å; E87-N89 VanDerWaalsContact C-N 3.35Å; E87-N89 PolarHBondContact O-N 3.28Å; N89-L100 PolarHBondContact ND2-O 2.99Å; N89-L100 PolarHBondContact OD1-N 3.35Å
90	G	91.3	Very high	93.5	Very high	35 Å²	35	32.1 Å²	32.1	36%	0.361	19%	0.185	S	C	.	.	H	α-helix	trans	-85.9	-13.7	176.5	0	0	0	0	0	114.1	D86 E87 I88	D86-G90 PolarHBondContact O-N 3.29Å; D86-G90 VanDerWaalsContact O-N 3.07Å; E87-G90 PolarHBondContact O-N 3.44Å; E87-G90 VanDerWaalsContact O-N 3.1Å; I88-G90 PolarHBondContact O-N 2.9Å
91	K	87.9	Confident	93.5	Very high	64 Å²	64	32.1 Å²	32.1	28%	0.278	19%	0.185	S	C	.	.			trans	-94.4	149.8	-179.2	-85	-179.2	-172.4	169.2	0	110.8	E87 I88 D93 Y398	E87-K91 HydrophobicContact CG-CD 4.21Å; E87-K91 WeakPolarHBondContact O-CG 3.44Å; E87-K91 PolarHBondContact O-N 3.42Å; E87-K91 VanDerWaalsContact O-N 3.11Å; E87-K91 WeakPolarHBondContact OE1-CE 3.38Å; E87-K91 IonicContact OE1-NZ 3.14Å; E87-K91 PolarHBondContact OE1-NZ 3.14Å; E87-K91 IonicContact OE2-NZ 3.75Å; I88-K91 PolarHBondContact O-N 2.89Å; I88-K91 VanDerWaalsContact O-N 3.12Å; K91-D93 VanDerWaalsContact CB-OD1 3.27Å; K91-D93 WeakPolarHBondContact CB-OD1 3.26Å; K91-Y398 PolarHBondContact NZ-OH 2.85Å
92	Q	85.4	Confident	93.5	Very high	158 Å²	158	32.1 Å²	32.1	74%	0.738	19%	0.185	S	C	*	.	S	Bend	trans	-103.7	-13.8	-179.7	-69.8	-76.2	-27.3	0	0	112.4	P96	Q92-P96 WeakPolarHBondContact O-CB 3.47Å
93	D	88.6	Confident	93.5	Very high	118 Å²	118	35.5 Å²	35.5	63%	0.631	20%	0.2	S	C	*	.	S	Bend	trans	-85.4	-25.6	-177.9	53.8	-41.8	0	0	0	113	K91 H405	K91-D93 VanDerWaalsContact CB-OD1 3.27Å; K91-D93 WeakPolarHBondContact CB-OD1 3.26Å; D93-H405 PolarHBondContact O-CE1 3.32Å; D93-H405 VanDerWaalsContact O-CE1 3.31Å
94	L	92.3	Very high	93.5	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.052	20%	0.2	C	C	.	.	S	Bend	trans	-119.9	116.8	-179.5	-175.2	59	0	0	0	110.5	I88 Y398 A401 H405	I88-L94 HydrophobicContact CG1-CD2 4.12Å; I88-L94 HydrophobicContact CG2-CD2 4.42Å; I88-L94 HydrophobicContact CG2-CG 4.38Å; L94-Y398 HydrophobicContact CD2-CD1 3.94Å; L94-Y398 HydrophobicContact CD2-CE1 3.83Å; L94-A401 HydrophobicContact CD2-CB 3.99Å; L94-A401 HydrophobicContact CG-CB 4.37Å; L94-H405 HydrophobicContact CD1-CB 3.72Å
95	L	94	Very high	93.4	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	59.1	50.8	-175.8	-61.2	173.1	0	0	0	115	I88 G97 V98 A401 L404 H405 L408	I88-L95 HydrophobicContact CG2-CD1 4.26Å; L95-G97 PolarHBondContact O-N 3.02Å; L95-V98 HydrophobicContact CB-CB 4.38Å; L95-V98 PolarHBondContact O-N 3.48Å; L95-V98 VanDerWaalsContact O-N 3.11Å; L95-A401 HydrophobicContact CD1-CB 4.04Å; L95-L404 HydrophobicContact CD1-CB 4.36Å; L95-L404 HydrophobicContact CD1-CD1 4.49Å; L95-L404 HydrophobicContact CD2-CB 3.87Å; L95-H405 HydrophobicContact CD2-CB 3.97Å; L95-H405 HydrophobicContact CG-CB 4.46Å; L95-H405 PolarHBondContact N-ND1 3.12Å; L95-L408 HydrophobicContact CD2-CD1 4.35Å
96	P	92.6	Very high	93.2	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.084	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	123.4	179	22.5	-31.9	0	0	0	112.4	Q92 V98 D411 C415	Q92-P96 WeakPolarHBondContact O-CB 3.47Å; P96-V98 VanDerWaalsContact C-N 3.31Å; P96-V98 PolarHBondContact O-N 3.4Å; P96-D411 WeakPolarHBondContact CG-O 3.5Å; P96-C415 PolarHBondContact O-N 3.28Å; P96-C415 PolarHBondContact O-SG 3.39Å; P96-C415 VanDerWaalsContact O-SG 3.4Å
97	G	88.6	Confident	93	Very high	76 Å²	76	39 Å²	39	78%	0.784	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	2.1	178.3	0	0	0	0	0	115.4	L95	L95-G97 PolarHBondContact O-N 3.02Å
98	V	93.3	Very high	92.6	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.048	21%	0.213	C	C	.	.			trans	-117.7	121	176.7	-178.2	0	0	0	0	109.3	D40 V41 L95 P96 L408 C415 W417	D40-V98 HydrophobicContact CB-CG1 4.01Å; V41-V98 HydrophobicContact CG2-CG1 3.97Å; L95-V98 HydrophobicContact CB-CB 4.38Å; L95-V98 PolarHBondContact O-N 3.48Å; L95-V98 VanDerWaalsContact O-N 3.11Å; P96-V98 VanDerWaalsContact C-N 3.31Å; P96-V98 PolarHBondContact O-N 3.4Å; V98-L408 HydrophobicContact CG1-CD1 4.35Å; V98-L408 HydrophobicContact CG2-CD1 4.22Å; V98-C415 HydrophobicContact CG2-CB 3.61Å; V98-W417 HydrophobicContact CG1-CD2 4.41Å; V98-W417 HydrophobicContact CG2-CB 3.53Å; V98-W417 HydrophobicContact CG2-CD2 4.3Å; V98-W417 HydrophobicContact CG2-CG 3.67Å
99	K	94.1	Very high	92.2	Very high	96 Å²	96	41.7 Å²	41.7	42%	0.417	23%	0.225	S	C	.	.			trans	-90.1	121.8	-179.2	-168.6	178	-179.2	-176.1	0	111.3	G39 D40 V41	G39-K99 CarbonylContact C-O 3.6Å; G39-K99 WeakPolarHBondContact CA-O 3.45Å; D40-K99 PolarHBondContact N-O 2.76Å; D40-K99 WeakPolarHBondContact OD2-CB 3.28Å; D40-K99 PolarHBondContact OD2-N 3.45Å; V41-K99 PolarHBondContact N-O 2.88Å
100	L	96.4	Very high	91.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.9	172.7	-165.6	64.9	0	0	0	110.4	V41 L43 V85 I88 N89 V397 L404	V41-L100 HydrophobicContact CB-CD1 4.15Å; V41-L100 HydrophobicContact CG1-CD1 4.31Å; L43-L100 HydrophobicContact CD1-CD1 4.1Å; L43-L100 HydrophobicContact CD1-CD2 3.91Å; L43-L100 HydrophobicContact CD1-CG 4.22Å; L43-L100 HydrophobicContact CD2-CD1 4.12Å; L43-L100 HydrophobicContact CG-CD1 3.84Å; L43-L100 HydrophobicContact CG-CG 4.28Å; V85-L100 HydrophobicContact CG1-CB 4.16Å; V85-L100 HydrophobicContact CG1-CD2 4.46Å; V85-L100 HydrophobicContact CG1-CG 4.3Å; V85-L100 VanDerWaalsContact CG1-O 3.25Å; V85-L100 WeakPolarHBondContact CG1-O 3.36Å; V85-L100 HydrophobicContact CG2-CD2 4.01Å; V85-L100 HydrophobicContact CG2-CG 4.41Å; I88-L100 HydrophobicContact CD1-CD2 4.23Å; N89-L100 PolarHBondContact ND2-O 2.99Å; N89-L100 PolarHBondContact OD1-N 3.35Å; L100-V397 HydrophobicContact CD2-CG1 4.33Å; L100-L404 HydrophobicContact CD1-CD1 4.1Å
101	G	97.1	Very high	91.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	172.2	175	0	0	0	0	0	112	L37 V41 L43	L37-G101 CarbonylContact O-C 3.49Å; L37-G101 WeakPolarHBondContact O-CA 3.45Å; V41-G101 PolarHBondContact O-N 3.45Å; L43-G101 PolarHBondContact N-O 3Å
102	Y	96.9	Very high	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.2	175.4	60.4	-103.6	0	0	0	113.3	N33 L34 S36 L37 L43 K82 V85 M104	N33-Y102 PolarHBondContact O-OH 3.41Å; N33-Y102 VanDerWaalsContact O-OH 3.06Å; L34-Y102 WeakPolarHBondContact O-CE2 3.35Å; L34-Y102 PolarHBondContact O-OH 3.19Å; S36-Y102 WeakPolarHBondContact CA-O 3.2Å; L37-Y102 HydrophobicContact CB-CD1 3.74Å; L37-Y102 HydrophobicContact CB-CD2 4.31Å; L37-Y102 HydrophobicContact CB-CE1 3.43Å; L37-Y102 VanDerWaalsContact CB-CE1 3.43Å; L37-Y102 HydrophobicContact CB-CE2 4.03Å; L37-Y102 HydrophobicContact CB-CG 4.18Å; L37-Y102 HydrophobicContact CD2-CD1 4.19Å; L37-Y102 HydrophobicContact CD2-CE1 3.79Å; L37-Y102 HydrophobicContact CG-CE1 4.24Å; L37-Y102 PolarHBondContact N-O 3.44Å; L37-Y102 PolarHBondContact O-N 3.21Å; L43-Y102 CarbonylContact O-C 3.58Å; L43-Y102 WeakPolarHBondContact O-CA 3.32Å; K82-Y102 HydrophobicContact CB-CE1 4.32Å; K82-Y102 WeakPolarHBondContact CD-OH 3.5Å; K82-Y102 HydrophobicContact CG-CE1 4.17Å; K82-Y102 VanDerWaalsContact CG-OH 3.3Å; K82-Y102 WeakPolarHBondContact CG-OH 3.38Å; K82-Y102 PolarHBondContact NZ-OH 2.95Å; V85-Y102 HydrophobicContact CB-CD1 3.97Å; V85-Y102 HydrophobicContact CB-CE1 4.29Å; V85-Y102 HydrophobicContact CG1-CD1 3.9Å; V85-Y102 HydrophobicContact CG1-CE1 4.27Å; V85-Y102 HydrophobicContact CG2-CD1 3.98Å; Y102-M104 HydrophobicContact CD1-CE 4.17Å; Y102-M104 HydrophobicContact CD2-CE 3.48Å; Y102-M104 VanDerWaalsContact CD2-CE 3.48Å; Y102-M104 HydrophobicContact CD2-CG 3.86Å; Y102-M104 HydrophobicContact CD2-SD 4.29Å; Y102-M104 HydrophobicContact CE1-CE 4.27Å; Y102-M104 HydrophobicContact CE2-CE 3.6Å; Y102-M104 HydrophobicContact CE2-CG 4.4Å; Y102-M104 HydrophobicContact CE2-SD 4.36Å; Y102-M104 HydrophobicContact CG-CE 3.79Å
103	K	95.9	Very high	91.5	Very high	72 Å²	72	33.4 Å²	33.4	31%	0.313	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.7	164.7	-69.3	-177.2	-178.6	176.6	0	109.5	T42 L43 G44 G45 Y105 I143	T42-K103 HydrophobicContact CG2-CG 4.1Å; L43-K103 PolarHBondContact O-N 3.35Å; G44-K103 CarbonylContact C-O 3.51Å; G45-K103 PolarHBondContact N-O 3.02Å; K103-Y105 HydrophobicContact CB-CE2 4.12Å; K103-I143 HydrophobicContact CB-CD1 4.45Å; K103-I143 HydrophobicContact CD-CD1 4.49Å
104	M	95.6	Very high	91.6	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.025	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.2	-178.8	-57.8	-177	-166	0	0	110.6	F35 G45 F47 S78 M81 K82 Y102	F35-M104 HydrophobicContact CB-CB 4.27Å; F35-M104 HydrophobicContact CD1-CB 4.22Å; F35-M104 PolarHBondContact O-N 3.17Å; G45-M104 CarbonylContact O-C 3.54Å; G45-M104 WeakPolarHBondContact O-CA 3.39Å; F47-M104 HydrophobicContact CD2-CB 4.32Å; F47-M104 HydrophobicContact CD2-CG 4.26Å; F47-M104 HydrophobicContact CD2-SD 4.15Å; F47-M104 HydrophobicContact CE2-CG 4.12Å; F47-M104 HydrophobicContact CE2-SD 3.99Å; S78-M104 WeakPolarHBondContact O-CE 3.31Å; M81-M104 HydrophobicContact CB-CE 3.62Å; M81-M104 HydrophobicContact CG-CE 3.56Å; M81-M104 HydrophobicContact SD-CE 3.78Å; M81-M104 HydrophobicContact SD-CG 4.24Å; M81-M104 HydrophobicContact SD-SD 4.43Å; K82-M104 HydrophobicContact CB-CE 4.14Å; Y102-M104 HydrophobicContact CD1-CE 4.17Å; Y102-M104 HydrophobicContact CD2-CE 3.48Å; Y102-M104 VanDerWaalsContact CD2-CE 3.48Å; Y102-M104 HydrophobicContact CD2-CG 3.86Å; Y102-M104 HydrophobicContact CD2-SD 4.29Å; Y102-M104 HydrophobicContact CE1-CE 4.27Å; Y102-M104 HydrophobicContact CE2-CE 3.6Å; Y102-M104 HydrophobicContact CE2-CG 4.4Å; Y102-M104 HydrophobicContact CE2-SD 4.36Å; Y102-M104 HydrophobicContact CG-CE 3.79Å
105	Y	94.3	Very high	91.6	Very high	62 Å²	62	29.8 Å²	29.8	24%	0.243	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.7	177.1	-71.3	-88.1	0	0	0	111	G45 F47 K103 P117 F121	G45-Y105 PolarHBondContact O-N 3.23Å; F47-Y105 PolarHBondContact N-O 3.13Å; F47-Y105 VanDerWaalsContact N-O 3.14Å; K103-Y105 HydrophobicContact CB-CE2 4.12Å; Y105-P117 HydrophobicContact CD1-CB 3.96Å; Y105-P117 HydrophobicContact CD2-CB 3.66Å; Y105-P117 HydrophobicContact CE2-CB 4.31Å; Y105-P117 HydrophobicContact CG-CB 3.45Å; Y105-P117 VanDerWaalsContact CG-CB 3.45Å; Y105-P117 HydrophobicContact CG-CG 4.38Å; Y105-F121 AromaticContact CD2-CE1 3.51Å; Y105-F121 HydrophobicContact CD2-CE1 3.51Å; Y105-F121 AromaticContact CD2-CZ 3.66Å; Y105-F121 HydrophobicContact CD2-CZ 3.66Å; Y105-F121 HydrophobicContact CE2-CD1 4.35Å; Y105-F121 AromaticContact CE2-CE1 3.52Å; Y105-F121 HydrophobicContact CE2-CE1 3.52Å; Y105-F121 HydrophobicContact CE2-CZ 4.16Å
106	D	92.1	Very high	91.4	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.15	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.6	174.9	-175.9	22.4	0	0	0	111.1	F47 I49 N50 C108 P366	F47-D106 WeakPolarHBondContact O-CA 3.48Å; I49-D106 HydrophobicContact CB-CB 4.14Å; I49-D106 HydrophobicContact CD1-CB 4.16Å; I49-D106 PolarHBondContact N-OD1 2.86Å; N50-D106 VanDerWaalsContact CB-OD2 3.29Å; N50-D106 WeakPolarHBondContact CB-OD2 3.38Å; N50-D106 PolarHBondContact N-OD1 3.45Å; N50-D106 PolarHBondContact N-OD2 3.36Å; N50-D106 PolarHBondContact ND2-OD2 3.42Å; D106-C108 PolarHBondContact OD1-N 3.47Å; D106-P366 HydrophobicContact CB-CB 3.74Å
107	T	91.8	Very high	91.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.			trans	-89	-18.3	173	73	0	0	0	0	112.4	L46 F47 P48 R109 H110 N113 V114 M154	L46-T107 HydrophobicContact CB-CG2 3.78Å; L46-T107 HydrophobicContact CD2-CG2 4.49Å; F47-T107 PolarHBondContact O-N 3.25Å; P48-T107 VanDerWaalsContact CA-OG1 3.23Å; P48-T107 WeakPolarHBondContact CA-OG1 3.35Å; P48-T107 WeakPolarHBondContact CB-OG1 3.38Å; T107-R109 PolarHBondContact O-N 3.3Å; T107-H110 PolarHBondContact O-N 2.96Å; T107-H110 VanDerWaalsContact O-N 3.08Å; T107-N113 WeakPolarHBondContact O-CB 3.44Å; T107-V114 HydrophobicContact CG2-CG1 3.52Å; T107-M154 HydrophobicContact CG2-SD 4.18Å
108	C	87.8	Confident	91.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	28.6	179.6	175.5	0	0	0	0	113.6	N50 C67 D106 H110 N113	N50-C108 WeakPolarHBondContact O-CA 3.32Å; C67-C108 VanDerWaalsContact CA-SG 3.6Å; C67-C108 HydrophobicContact CB-CB 3.84Å; C67-C108 WeakPolarHBondContact CB-SG 3.32Å; C67-C108 WeakPolarHBondContact SG-CB 3.28Å; C67-C108 CovalentContact SG-SG 2.02Å; C67-C108 PolarHBondContact SG-SG 3.2Å; D106-C108 PolarHBondContact OD1-N 3.47Å; C108-H110 PolarHBondContact O-N 2.98Å; C108-H110 VanDerWaalsContact O-N 3.07Å; C108-N113 WeakPolarHBondContact CB-ND2 3.36Å
109	R	85	Confident	91.8	Very high	69 Å²	69	37 Å²	37	26%	0.26	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	22.7	-176.6	-62.7	-173	66.8	177.7	-2.1	114.8	P48 T107 M154 E280	P48-R109 HydrophobicContact CB-CG 3.6Å; T107-R109 PolarHBondContact O-N 3.3Å; R109-M154 VanDerWaalsContact CA-CE 3.45Å; R109-E280 IonicContact NH1-OE1 2.8Å
110	H	85.6	Confident	91.8	Very high	23 Å²	23	34.5 Å²	34.5	11%	0.106	17%	0.173	C	C	.	.			trans	-125.9	135.4	-178.2	-163	-81.9	0	0	0	112.2	Q52 I65 T107 C108 S112 N113	Q52-H110 PolarHBondContact OE1-CD2 3.07Å; I65-H110 WeakPolarHBondContact CD1-ND1 3.36Å; T107-H110 PolarHBondContact O-N 2.96Å; T107-H110 VanDerWaalsContact O-N 3.08Å; C108-H110 PolarHBondContact O-N 2.98Å; C108-H110 VanDerWaalsContact O-N 3.07Å; H110-S112 PolarHBondContact CE1-OG 3.07Å; H110-S112 VanDerWaalsContact CE1-OG 3.22Å; H110-S112 PolarHBondContact ND1-N 3.08Å; H110-S112 PolarHBondContact ND1-OG 3.23Å; H110-S112 PolarHBondContact O-N 2.83Å; H110-N113 PolarHBondContact O-N 2.54Å
111	S	86.8	Confident	91.8	Very high	19 Å²	19	34.5 Å²	34.5	13%	0.133	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-26.9	-171.7	53.8	0	0	0	0	114.6	V114 E153	S111-V114 WeakPolarHBondContact O-CG2 3.48Å; S111-E153 WeakPolarHBondContact CB-OE1 3.49Å; S111-E153 PolarHBondContact OG-OE1 2.72Å
112	S	84.5	Confident	91.7	Very high	54 Å²	54	34.5 Å²	34.5	38%	0.378	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-28.3	173.4	63.3	0	0	0	0	113.9	I65 H110 V114 V115	I65-S112 WeakPolarHBondContact CD1-OG 3.4Å; H110-S112 PolarHBondContact CE1-OG 3.07Å; H110-S112 VanDerWaalsContact CE1-OG 3.22Å; H110-S112 PolarHBondContact ND1-N 3.08Å; H110-S112 PolarHBondContact ND1-OG 3.23Å; H110-S112 PolarHBondContact O-N 2.83Å; S112-V114 VanDerWaalsContact C-N 3.3Å; S112-V114 PolarHBondContact O-N 3.01Å; S112-V115 PolarHBondContact O-N 3.2Å
113	N	87.3	Confident	91.6	Very high	39 Å²	39	35.2 Å²	35.2	21%	0.209	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.4	-173.9	-75.2	-19	0	0	0	112.7	T107 C108 H110 V115 P117	T107-N113 WeakPolarHBondContact O-CB 3.44Å; C108-N113 WeakPolarHBondContact CB-ND2 3.36Å; H110-N113 PolarHBondContact O-N 2.54Å; N113-V115 VanDerWaalsContact C-N 3.29Å; N113-V115 PolarHBondContact O-N 3.43Å; N113-P117 WeakPolarHBondContact O-CD 3.42Å
114	V	91.6	Very high	91.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.8	178.4	-65.3	0	0	0	0	113.6	T107 S111 S112 P117 T118 P149 M154 I158	T107-V114 HydrophobicContact CG2-CG1 3.52Å; S111-V114 WeakPolarHBondContact O-CG2 3.48Å; S112-V114 VanDerWaalsContact C-N 3.3Å; S112-V114 PolarHBondContact O-N 3.01Å; V114-P117 WeakPolarHBondContact O-CD 3.22Å; V114-P117 WeakPolarHBondContact O-CG 3.23Å; V114-T118 VanDerWaalsContact O-CB 3.3Å; V114-T118 WeakPolarHBondContact O-CB 3.32Å; V114-T118 PolarHBondContact O-N 3.48Å; V114-T118 VanDerWaalsContact O-N 3.14Å; V114-T118 PolarHBondContact O-OG1 2.71Å; V114-P149 HydrophobicContact CG1-CB 4.45Å; V114-M154 HydrophobicContact CG1-CB 4.28Å; V114-M154 HydrophobicContact CG1-CG 4.07Å; V114-M154 HydrophobicContact CG1-SD 3.71Å; V114-M154 HydrophobicContact CG2-CB 4.11Å; V114-M154 HydrophobicContact CG2-CG 4.3Å; V114-I158 HydrophobicContact CB-CG2 4.18Å; V114-I158 HydrophobicContact CG2-CG2 3.6Å
115	V	91.9	Very high	91.3	Very high	53 Å²	53	38 Å²	38	32%	0.321	19%	0.191	S	C	.	.	H	α-helix	trans	-65.9	-47.6	-176.4	178.3	0	0	0	0	111.4	S112 N113 T118 I119 V157	S112-V115 PolarHBondContact O-N 3.2Å; N113-V115 VanDerWaalsContact C-N 3.29Å; N113-V115 PolarHBondContact O-N 3.43Å; V115-T118 WeakPolarHBondContact O-CB 3.41Å; V115-T118 PolarHBondContact O-N 3.29Å; V115-I119 HydrophobicContact CG1-CD1 3.88Å; V115-I119 HydrophobicContact CG1-CG1 4.46Å; V115-I119 WeakPolarHBondContact O-CG1 3.46Å; V115-I119 PolarHBondContact O-N 3.39Å; V115-V157 HydrophobicContact CG2-CG1 3.65Å
116	K	90.1	Very high	90.9	Very high	169 Å²	169	40 Å²	40	74%	0.735	21%	0.209	S	C	*	.	H	α-helix	trans	-59.4	-52.4	-179.2	-177.9	-177.5	176.7	-172.4	0	113.5	T118 I119 S120	K116-T118 VanDerWaalsContact C-N 3.29Å; K116-T118 PolarHBondContact O-N 3.06Å; K116-I119 PolarHBondContact O-N 3.16Å; K116-S120 PolarHBondContact O-N 2.89Å
117	P	92.7	Very high	90.8	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-34.4	176.8	25.5	-33.7	0	0	0	111.9	L46 Y105 N113 V114 I119 S120 F121	L46-P117 HydrophobicContact CD2-CB 3.94Å; L46-P117 HydrophobicContact CD2-CG 3.7Å; Y105-P117 HydrophobicContact CD1-CB 3.96Å; Y105-P117 HydrophobicContact CD2-CB 3.66Å; Y105-P117 HydrophobicContact CE2-CB 4.31Å; Y105-P117 HydrophobicContact CG-CB 3.45Å; Y105-P117 VanDerWaalsContact CG-CB 3.45Å; Y105-P117 HydrophobicContact CG-CG 4.38Å; N113-P117 WeakPolarHBondContact O-CD 3.42Å; V114-P117 WeakPolarHBondContact O-CD 3.22Å; V114-P117 WeakPolarHBondContact O-CG 3.23Å; P117-I119 PolarHBondContact O-N 2.88Å; P117-S120 CarbonylContact O-C 3.47Å; P117-S120 WeakPolarHBondContact O-CA 3.3Å; P117-S120 WeakPolarHBondContact O-CB 3.22Å; P117-S120 PolarHBondContact O-N 3.5Å; P117-S120 VanDerWaalsContact O-N 3.11Å; P117-F121 HydrophobicContact CB-CZ 4.36Å; P117-F121 WeakPolarHBondContact O-CD1 3.44Å; P117-F121 WeakPolarHBondContact O-CD2 3.38Å; P117-F121 WeakPolarHBondContact O-CG 3.21Å; P117-F121 PolarHBondContact O-N 3.46Å
118	T	95.6	Very high	90.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-46.5	174.5	-57.9	0	0	0	0	111.9	V114 V115 K116 S120 F121 L122 I158 L161 L162	V114-T118 VanDerWaalsContact O-CB 3.3Å; V114-T118 WeakPolarHBondContact O-CB 3.32Å; V114-T118 PolarHBondContact O-N 3.48Å; V114-T118 VanDerWaalsContact O-N 3.14Å; V114-T118 PolarHBondContact O-OG1 2.71Å; V115-T118 WeakPolarHBondContact O-CB 3.41Å; V115-T118 PolarHBondContact O-N 3.29Å; K116-T118 VanDerWaalsContact C-N 3.29Å; K116-T118 PolarHBondContact O-N 3.06Å; T118-S120 VanDerWaalsContact C-N 3.26Å; T118-S120 PolarHBondContact O-N 3.43Å; T118-F121 WeakPolarHBondContact O-CB 3.48Å; T118-F121 PolarHBondContact O-N 2.91Å; T118-F121 VanDerWaalsContact O-N 3.12Å; T118-L122 HydrophobicContact CG2-CD1 4.33Å; T118-L122 WeakPolarHBondContact O-CG 3.32Å; T118-L122 PolarHBondContact O-N 3.41Å; T118-I158 HydrophobicContact CG2-CB 4.01Å; T118-I158 HydrophobicContact CG2-CG2 4.25Å; T118-I158 WeakPolarHBondContact OG1-CD1 3.24Å; T118-I158 WeakPolarHBondContact OG1-CG2 3.46Å; T118-L161 HydrophobicContact CG2-CD2 3.99Å; T118-L162 HydrophobicContact CG2-CD1 4.5Å; T118-L162 HydrophobicContact CG2-CD2 3.84Å; T118-L162 HydrophobicContact CG2-CG 4.02Å
119	I	94.5	Very high	90.8	Very high	77 Å²	77	49.8 Å²	49.8	40%	0.395	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-39.8	174.7	-66.8	168.7	0	0	0	110.4	V115 K116 P117 F121 L122 T123 L130	V115-I119 HydrophobicContact CG1-CD1 3.88Å; V115-I119 HydrophobicContact CG1-CG1 4.46Å; V115-I119 WeakPolarHBondContact O-CG1 3.46Å; V115-I119 PolarHBondContact O-N 3.39Å; K116-I119 PolarHBondContact O-N 3.16Å; P117-I119 PolarHBondContact O-N 2.88Å; I119-F121 VanDerWaalsContact C-N 3.29Å; I119-F121 PolarHBondContact O-N 3.42Å; I119-L122 PolarHBondContact O-N 3.16Å; I119-T123 PolarHBondContact O-N 3.41Å; I119-L130 HydrophobicContact CG2-CD2 4.24Å
120	S	94.1	Very high	91.1	Very high	44 Å²	44	49.8 Å²	49.8	31%	0.308	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-30.8	175.9	-171.2	0	0	0	0	113.3	K116 P117 T118 L122 T123 S142	K116-S120 PolarHBondContact O-N 2.89Å; P117-S120 CarbonylContact O-C 3.47Å; P117-S120 WeakPolarHBondContact O-CA 3.3Å; P117-S120 WeakPolarHBondContact O-CB 3.22Å; P117-S120 PolarHBondContact O-N 3.5Å; P117-S120 VanDerWaalsContact O-N 3.11Å; T118-S120 VanDerWaalsContact C-N 3.26Å; T118-S120 PolarHBondContact O-N 3.43Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-T123 PolarHBondContact O-OG1 3.38Å; S120-S142 PolarHBondContact O-OG 3.44Å
121	F	96	Very high	91.2	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-72	-28.9	175.8	-62.2	-23.6	0	0	0	112.4	L46 Y105 P117 T118 I119 S142 I143 V146	L46-F121 HydrophobicContact CD1-CE2 4.32Å; L46-F121 HydrophobicContact CD2-CE2 3.79Å; L46-F121 HydrophobicContact CD2-CZ 4.08Å; L46-F121 HydrophobicContact CG-CE2 3.9Å; L46-F121 HydrophobicContact CG-CZ 4.45Å; Y105-F121 AromaticContact CD2-CE1 3.51Å; Y105-F121 HydrophobicContact CD2-CE1 3.51Å; Y105-F121 AromaticContact CD2-CZ 3.66Å; Y105-F121 HydrophobicContact CD2-CZ 3.66Å; Y105-F121 HydrophobicContact CE2-CD1 4.35Å; Y105-F121 AromaticContact CE2-CE1 3.52Å; Y105-F121 HydrophobicContact CE2-CE1 3.52Å; Y105-F121 HydrophobicContact CE2-CZ 4.16Å; P117-F121 HydrophobicContact CB-CZ 4.36Å; P117-F121 WeakPolarHBondContact O-CD1 3.44Å; P117-F121 WeakPolarHBondContact O-CD2 3.38Å; P117-F121 WeakPolarHBondContact O-CG 3.21Å; P117-F121 PolarHBondContact O-N 3.46Å; T118-F121 WeakPolarHBondContact O-CB 3.48Å; T118-F121 PolarHBondContact O-N 2.91Å; T118-F121 VanDerWaalsContact O-N 3.12Å; I119-F121 VanDerWaalsContact C-N 3.29Å; I119-F121 PolarHBondContact O-N 3.42Å; F121-S142 PolarHBondContact O-OG 3.33Å; F121-I143 HydrophobicContact CB-CB 3.96Å; F121-I143 HydrophobicContact CB-CG1 3.87Å; F121-I143 HydrophobicContact CB-CG2 4.47Å; F121-I143 HydrophobicContact CD1-CB 4.34Å; F121-I143 HydrophobicContact CD1-CD1 4.31Å; F121-I143 HydrophobicContact CD1-CG1 3.4Å; F121-I143 VanDerWaalsContact CD1-CG1 3.4Å; F121-I143 HydrophobicContact CE1-CG1 4.08Å; F121-I143 HydrophobicContact CG-CB 4.3Å; F121-I143 HydrophobicContact CG-CG1 3.85Å; F121-I143 PolarHBondContact O-N 3.4Å; F121-V146 HydrophobicContact CD2-CG1 4.35Å; F121-V146 HydrophobicContact CD2-CG2 3.73Å; F121-V146 HydrophobicContact CE2-CG1 4.1Å; F121-V146 HydrophobicContact CE2-CG2 4.23Å
122	L	95.8	Very high	91.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-85.8	-6.5	-178.7	-66.3	173.4	0	0	0	113.5	T118 I119 S120 L130 Y139 T141 L161 L162 F165 M167	T118-L122 HydrophobicContact CG2-CD1 4.33Å; T118-L122 WeakPolarHBondContact O-CG 3.32Å; T118-L122 PolarHBondContact O-N 3.41Å; I119-L122 PolarHBondContact O-N 3.16Å; S120-L122 VanDerWaalsContact C-N 3.3Å; L122-L130 HydrophobicContact CB-CD1 4.34Å; L122-L130 WeakPolarHBondContact O-CD1 3.04Å; L122-Y139 VanDerWaalsContact O-CE1 3.28Å; L122-Y139 WeakPolarHBondContact O-CE1 3.48Å; L122-Y139 PolarHBondContact O-OH 3.14Å; L122-T141 HydrophobicContact CD2-CG2 4.49Å; L122-L161 HydrophobicContact CD1-CD1 4.05Å; L122-L161 HydrophobicContact CD1-CD2 3.94Å; L122-L161 HydrophobicContact CD1-CG 3.65Å; L122-L162 HydrophobicContact CD2-CD2 4.09Å; L122-L162 HydrophobicContact CG-CD2 4.39Å; L122-F165 HydrophobicContact CD1-CD2 3.83Å; L122-F165 HydrophobicContact CD1-CE2 3.85Å; L122-F165 HydrophobicContact CD2-CB 3.89Å; L122-F165 HydrophobicContact CD2-CD1 4.29Å; L122-F165 HydrophobicContact CD2-CD2 3.54Å; L122-F165 HydrophobicContact CD2-CE2 4.15Å; L122-F165 HydrophobicContact CD2-CG 3.64Å; L122-F165 HydrophobicContact CG-CD2 4.21Å; L122-F165 HydrophobicContact CG-CE2 4.4Å; L122-M167 HydrophobicContact CD2-CE 3.63Å; L122-M167 HydrophobicContact CD2-SD 4Å
123	T	95.4	Very high	91.5	Very high	16 Å²	16	57.6 Å²	57.6	10%	0.098	32%	0.319	C	S	.	.	S	Bend	trans	-64.4	153.7	175	58.2	0	0	0	0	111.4	I119 S120 L130 T141 S142	I119-T123 PolarHBondContact O-N 3.41Å; S120-T123 PolarHBondContact O-OG1 3.38Å; T123-L130 HydrophobicContact CG2-CB 4.38Å; T123-T141 CarbonylContact O-C 3.59Å; T123-T141 WeakPolarHBondContact O-CA 3.32Å; T123-S142 WeakPolarHBondContact O-CB 3.02Å; T123-S142 PolarHBondContact O-N 3.13Å; T123-S142 PolarHBondContact OG1-OG 3.12Å
124	E	93.6	Very high	91.6	Very high	54 Å²	54	62.8 Å²	62.8	25%	0.252	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-67.3	136.6	177	-169.2	-170.4	-177	0	0	109.8	T126 T127 N128 A129 Y139 E140	E124-T126 PolarHBondContact O-N 3.36Å; E124-T126 PolarHBondContact OE1-OG1 3.05Å; E124-T126 VanDerWaalsContact OE1-OG1 3.1Å; E124-T127 WeakPolarHBondContact CB-OG1 3.36Å; E124-T127 PolarHBondContact O-N 2.93Å; E124-T127 VanDerWaalsContact OE2-CG2 3.23Å; E124-T127 WeakPolarHBondContact OE2-CG2 3.46Å; E124-T127 PolarHBondContact OE2-OG1 3.22Å; E124-N128 VanDerWaalsContact O-CA 3.29Å; E124-N128 WeakPolarHBondContact O-CA 3.24Å; E124-N128 PolarHBondContact O-N 3.42Å; E124-A129 PolarHBondContact N-O 3.43Å; E124-Y139 HydrophobicContact CB-CE2 3.95Å; E124-Y139 HydrophobicContact CG-CE2 4.23Å; E124-Y139 PolarHBondContact N-OH 3.44Å; E124-E140 WeakPolarHBondContact CA-O 3.19Å
125	K	90.1	Very high	91.6	Very high	81 Å²	81	67.4 Å²	67.4	35%	0.352	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.3	-175.8	-173.3	177.3	175	178.6	0	113.7	E140	K125-E140 HydrophobicContact CB-CG 4.28Å; K125-E140 VanDerWaalsContact CD-CD 3.49Å; K125-E140 HydrophobicContact CD-CG 4.02Å; K125-E140 WeakPolarHBondContact CD-OE1 3.35Å; K125-E140 PolarHBondContact N-O 3.17Å; K125-E140 IonicContact NZ-OE1 3.83Å; K125-E140 PolarHBondContact NZ-OE1 2.97Å
126	T	87.7	Confident	91.6	Very high	103 Å²	103	67 Å²	67	63%	0.632	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-44.6	-175.5	53.5	0	0	0	0	112.7	E124	E124-T126 PolarHBondContact O-N 3.36Å; E124-T126 PolarHBondContact OE1-OG1 3.05Å; E124-T126 VanDerWaalsContact OE1-OG1 3.1Å
127	T	89.4	Confident	91.6	Very high	80 Å²	80	61.9 Å²	61.9	49%	0.491	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-16.3	-173.6	63.4	0	0	0	0	113.3	E124 A129	E124-T127 WeakPolarHBondContact CB-OG1 3.36Å; E124-T127 PolarHBondContact O-N 2.93Å; E124-T127 VanDerWaalsContact OE2-CG2 3.23Å; E124-T127 WeakPolarHBondContact OE2-CG2 3.46Å; E124-T127 PolarHBondContact OE2-OG1 3.22Å; T127-A129 PolarHBondContact O-N 3.11Å; T127-A129 PolarHBondContact OG1-N 3.41Å
128	N	88.2	Confident	91.5	Very high	105 Å²	105	67.2 Å²	67.2	56%	0.561	39%	0.385	S	S	*	.			trans	52.2	26.2	-168.4	-66.6	-61.5	0	0	0	113.1	E124	E124-N128 VanDerWaalsContact O-CA 3.29Å; E124-N128 WeakPolarHBondContact O-CA 3.24Å; E124-N128 PolarHBondContact O-N 3.42Å
129	A	91.5	Very high	91.4	Very high	50 Å²	50	67.7 Å²	67.7	41%	0.413	39%	0.387	S	S	.	.			trans	-117.2	147.5	176.3	0	0	0	0	0	110.2	E124 T127 Y139	E124-A129 PolarHBondContact N-O 3.43Å; T127-A129 PolarHBondContact O-N 3.11Å; T127-A129 PolarHBondContact OG1-N 3.41Å; A129-Y139 PolarHBondContact O-OH 3.08Å
130	L	91.6	Very high	91.3	Very high	70 Å²	70	64.9 Å²	64.9	37%	0.366	37%	0.372	S	S	.	.			trans	-96.2	94.2	170.5	-178.8	61.2	0	0	0	108.2	I119 L122 T123 F165	I119-L130 HydrophobicContact CG2-CD2 4.24Å; L122-L130 HydrophobicContact CB-CD1 4.34Å; L122-L130 WeakPolarHBondContact O-CD1 3.04Å; T123-L130 HydrophobicContact CG2-CB 4.38Å; L130-F165 HydrophobicContact CD1-CE1 4.31Å; L130-F165 HydrophobicContact CD1-CZ 3.86Å
131	S	87.8	Confident	91.3	Very high	37 Å²	37	63 Å²	63	26%	0.259	36%	0.359	S	S	.	.			trans	-71.2	143.4	173.4	41.2	0	0	0	0	110.5	E133 Y136	S131-E133 PolarHBondContact O-N 3.11Å; S131-E133 PolarHBondContact OG-OE1 3.5Å; S131-Y136 PolarHBondContact O-OH 3.4Å; S131-Y136 VanDerWaalsContact O-OH 3.06Å
132	V	89.3	Confident	91.3	Very high	148 Å²	148	63.6 Å²	63.6	90%	0.897	36%	0.363	S	S	*	.			trans	-84.9	106	169.8	-178.8	0	0	0	0	107.6
133	E	88.3	Confident	91.3	Very high	75 Å²	75	63.6 Å²	63.6	35%	0.35	36%	0.363	S	S	.	.			trans	-112.3	153.1	-178.4	-60.2	-171.7	-169.9	0	0	112	S131 N135 Y136	S131-E133 PolarHBondContact O-N 3.11Å; S131-E133 PolarHBondContact OG-OE1 3.5Å; E133-N135 VanDerWaalsContact C-N 3.31Å; E133-Y136 HydrophobicContact CB-CD1 4.3Å; E133-Y136 HydrophobicContact CB-CE1 3.92Å; E133-Y136 HydrophobicContact CB-CE2 4.32Å; E133-Y136 HydrophobicContact CG-CE1 4.28Å; E133-Y136 PolarHBondContact N-OH 3.07Å; E133-Y136 VanDerWaalsContact N-OH 3.07Å; E133-Y136 WeakPolarHBondContact O-CE2 3.41Å
134	C	88.9	Confident	91.3	Very high	147 Å²	147	63.1 Å²	63.1	99%	0.993	36%	0.361	S	S	*	.	S	Bend	trans	-76.3	-21.9	173.2	-63.6	0	0	0	0	112.4
135	N	90.9	Very high	91.5	Very high	98 Å²	98	60.6 Å²	60.6	52%	0.524	35%	0.349	S	S	.	.			trans	-147.8	121	-177.7	-176.2	-3.1	0	0	0	110.2	E133 T137	E133-N135 VanDerWaalsContact C-N 3.31Å; N135-T137 VanDerWaalsContact OD1-CB 3.25Å; N135-T137 WeakPolarHBondContact OD1-CB 3.25Å; N135-T137 PolarHBondContact OD1-N 3.15Å; N135-T137 PolarHBondContact OD1-OG1 3.46Å
136	Y	91.3	Very high	91.9	Very high	45 Å²	45	56.7 Å²	56.7	18%	0.176	33%	0.332	C	S	.	.			trans	-98.9	14.4	179.2	-65.6	-84.7	0	0	0	113.7	S131 E133 D138 Y139 F164 F165	S131-Y136 PolarHBondContact O-OH 3.4Å; S131-Y136 VanDerWaalsContact O-OH 3.06Å; E133-Y136 HydrophobicContact CB-CD1 4.3Å; E133-Y136 HydrophobicContact CB-CE1 3.92Å; E133-Y136 HydrophobicContact CB-CE2 4.32Å; E133-Y136 HydrophobicContact CG-CE1 4.28Å; E133-Y136 PolarHBondContact N-OH 3.07Å; E133-Y136 VanDerWaalsContact N-OH 3.07Å; E133-Y136 WeakPolarHBondContact O-CE2 3.41Å; Y136-D138 VanDerWaalsContact C-N 3.32Å; Y136-D138 PolarHBondContact O-N 3.22Å; Y136-Y139 HydrophobicContact CD1-CD1 4.04Å; Y136-Y139 AromaticContact CD1-CD2 3.82Å; Y136-Y139 HydrophobicContact CD1-CD2 3.82Å; Y136-Y139 HydrophobicContact CD1-CE1 4.47Å; Y136-Y139 HydrophobicContact CD1-CE2 4.29Å; Y136-Y139 AromaticContact CD1-CG 3.68Å; Y136-Y139 HydrophobicContact CD1-CG 3.68Å; Y136-Y139 HydrophobicContact CE1-CD2 4.28Å; Y136-Y139 HydrophobicContact CE1-CE2 4.33Å; Y136-Y139 HydrophobicContact CE1-CG 4.49Å; Y136-Y139 WeakPolarHBondContact O-CB 3.46Å; Y136-Y139 PolarHBondContact O-N 3.33Å; Y136-Y139 VanDerWaalsContact O-N 3.17Å; Y136-F164 AromaticContact CD2-CE1 3.68Å; Y136-F164 HydrophobicContact CD2-CE1 3.68Å; Y136-F164 AromaticContact CD2-CZ 3.94Å; Y136-F164 HydrophobicContact CD2-CZ 3.94Å; Y136-F164 AromaticContact CE2-CE1 3.58Å; Y136-F164 HydrophobicContact CE2-CE1 3.58Å; Y136-F164 AromaticContact CE2-CZ 3.85Å; Y136-F164 HydrophobicContact CE2-CZ 3.85Å; Y136-F165 HydrophobicContact CD1-CD1 4.16Å; Y136-F165 AromaticContact CD1-CE1 3.43Å; Y136-F165 HydrophobicContact CD1-CE1 3.43Å; Y136-F165 VanDerWaalsContact CD1-CE1 3.43Å; Y136-F165 HydrophobicContact CD1-CZ 4.26Å; Y136-F165 HydrophobicContact CD2-CE1 4.43Å; Y136-F165 AromaticContact CE1-CE1 3.56Å; Y136-F165 HydrophobicContact CE1-CE1 3.56Å; Y136-F165 AromaticContact CE1-CZ 3.97Å; Y136-F165 HydrophobicContact CE1-CZ 3.97Å; Y136-F165 HydrophobicContact CG-CD1 4.31Å; Y136-F165 AromaticContact CG-CE1 3.88Å; Y136-F165 HydrophobicContact CG-CE1 3.88Å
137	T	90.8	Very high	92.5	Very high	61 Å²	61	51.8 Å²	51.8	37%	0.374	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-41.2	-176.8	-59.2	0	0	0	0	112.3	N135 W426	N135-T137 VanDerWaalsContact OD1-CB 3.25Å; N135-T137 WeakPolarHBondContact OD1-CB 3.25Å; N135-T137 PolarHBondContact OD1-N 3.15Å; N135-T137 PolarHBondContact OD1-OG1 3.46Å; T137-W426 HydrophobicContact CG2-CZ2 4.02Å; T137-W426 PolarHBondContact O-NE1 3.35Å
138	D	91.1	Very high	92.8	Very high	120 Å²	120	48 Å²	48	64%	0.642	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	21	179.6	-62.2	-44.7	0	0	0	112.6	Y136 Y424	Y136-D138 VanDerWaalsContact C-N 3.32Å; Y136-D138 PolarHBondContact O-N 3.22Å; D138-Y424 WeakPolarHBondContact O-CE1 3.25Å
139	Y	92.2	Very high	93.2	Very high	9 Å²	9	43 Å²	43	4%	0.035	25%	0.252	C	S	.	.			trans	-88.8	113.1	-176.7	-167.7	-97.5	0	0	0	111.5	L122 E124 A129 Y136 T141 F165	L122-Y139 VanDerWaalsContact O-CE1 3.28Å; L122-Y139 WeakPolarHBondContact O-CE1 3.48Å; L122-Y139 PolarHBondContact O-OH 3.14Å; E124-Y139 HydrophobicContact CB-CE2 3.95Å; E124-Y139 HydrophobicContact CG-CE2 4.23Å; E124-Y139 PolarHBondContact N-OH 3.44Å; A129-Y139 PolarHBondContact O-OH 3.08Å; Y136-Y139 HydrophobicContact CD1-CD1 4.04Å; Y136-Y139 AromaticContact CD1-CD2 3.82Å; Y136-Y139 HydrophobicContact CD1-CD2 3.82Å; Y136-Y139 HydrophobicContact CD1-CE1 4.47Å; Y136-Y139 HydrophobicContact CD1-CE2 4.29Å; Y136-Y139 AromaticContact CD1-CG 3.68Å; Y136-Y139 HydrophobicContact CD1-CG 3.68Å; Y136-Y139 HydrophobicContact CE1-CD2 4.28Å; Y136-Y139 HydrophobicContact CE1-CE2 4.33Å; Y136-Y139 HydrophobicContact CE1-CG 4.49Å; Y136-Y139 WeakPolarHBondContact O-CB 3.46Å; Y136-Y139 PolarHBondContact O-N 3.33Å; Y136-Y139 VanDerWaalsContact O-N 3.17Å; Y139-T141 HydrophobicContact CD1-CG2 3.74Å; Y139-T141 HydrophobicContact CE1-CG2 3.7Å; Y139-F165 HydrophobicContact CD1-CD1 4.31Å; Y139-F165 HydrophobicContact CD1-CE1 4.19Å; Y139-F165 HydrophobicContact CE1-CE1 4.12Å
140	E	93.5	Very high	93.4	Very high	19 Å²	19	42.2 Å²	42.2	9%	0.089	24%	0.238	C	C	.	.			trans	-94.2	110.1	175.7	-171.5	-177.9	-172.5	0	0	110.3	E124 K125 K422 Y424	E124-E140 WeakPolarHBondContact CA-O 3.19Å; K125-E140 HydrophobicContact CB-CG 4.28Å; K125-E140 VanDerWaalsContact CD-CD 3.49Å; K125-E140 HydrophobicContact CD-CG 4.02Å; K125-E140 WeakPolarHBondContact CD-OE1 3.35Å; K125-E140 PolarHBondContact N-O 3.17Å; K125-E140 IonicContact NZ-OE1 3.83Å; K125-E140 PolarHBondContact NZ-OE1 2.97Å; E140-K422 WeakPolarHBondContact OE2-CG 3.25Å; E140-Y424 HydrophobicContact CB-CE1 4.44Å
141	T	94.9	Very high	93.5	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-75.9	157.3	179.1	48.7	0	0	0	0	112	L122 T123 Y139 I143 M167 P425	L122-T141 HydrophobicContact CD2-CG2 4.49Å; T123-T141 CarbonylContact O-C 3.59Å; T123-T141 WeakPolarHBondContact O-CA 3.32Å; Y139-T141 HydrophobicContact CD1-CG2 3.74Å; Y139-T141 HydrophobicContact CE1-CG2 3.7Å; T141-I143 WeakPolarHBondContact CB-O 3.35Å; T141-I143 PolarHBondContact O-N 2.78Å; T141-I143 PolarHBondContact OG1-O 3.04Å; T141-M167 HydrophobicContact CG2-CE 3.59Å; T141-M167 VanDerWaalsContact OG1-CE 3.25Å; T141-M167 WeakPolarHBondContact OG1-CE 3.46Å; T141-P425 HydrophobicContact CG2-CG 4.12Å; T141-P425 WeakPolarHBondContact OG1-CG 3.45Å
142	S	94.3	Very high	93.9	Very high	15 Å²	15	37.9 Å²	37.9	11%	0.105	21%	0.213	C	C	.	.	S	Bend	trans	-65.3	-22.7	178.6	69.8	0	0	0	0	112.9	S120 F121 T123	S120-S142 PolarHBondContact O-OG 3.44Å; F121-S142 PolarHBondContact O-OG 3.33Å; T123-S142 WeakPolarHBondContact O-CB 3.02Å; T123-S142 PolarHBondContact O-N 3.13Å; T123-S142 PolarHBondContact OG1-OG 3.12Å
143	I	95.9	Very high	94.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.			trans	-124.4	139.1	174.9	-65.2	-55.4	0	0	0	109.9	T42 K103 F121 T141 A145 V146 M167	T42-I143 HydrophobicContact CG2-CD1 3.42Å; T42-I143 VanDerWaalsContact CG2-CD1 3.42Å; T42-I143 WeakPolarHBondContact O-CA 3.32Å; K103-I143 HydrophobicContact CB-CD1 4.45Å; K103-I143 HydrophobicContact CD-CD1 4.49Å; F121-I143 HydrophobicContact CB-CB 3.96Å; F121-I143 HydrophobicContact CB-CG1 3.87Å; F121-I143 HydrophobicContact CB-CG2 4.47Å; F121-I143 HydrophobicContact CD1-CB 4.34Å; F121-I143 HydrophobicContact CD1-CD1 4.31Å; F121-I143 HydrophobicContact CD1-CG1 3.4Å; F121-I143 VanDerWaalsContact CD1-CG1 3.4Å; F121-I143 HydrophobicContact CE1-CG1 4.08Å; F121-I143 HydrophobicContact CG-CB 4.3Å; F121-I143 HydrophobicContact CG-CG1 3.85Å; F121-I143 PolarHBondContact O-N 3.4Å; T141-I143 WeakPolarHBondContact CB-O 3.35Å; T141-I143 PolarHBondContact O-N 2.78Å; T141-I143 PolarHBondContact OG1-O 3.04Å; I143-A145 WeakPolarHBondContact CG2-O 3.3Å; I143-V146 HydrophobicContact CG2-CG2 4.43Å; I143-M167 VanDerWaalsContact O-CE 3.24Å; I143-M167 WeakPolarHBondContact O-CE 3.34Å
144	S	96.3	Very high	94.4	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	16%	0.161	C	C	.	.	S	Bend	trans	-89.3	-31.1	-179	-55.2	0	0	0	0	113.9	V41 T42	V41-S144 WeakPolarHBondContact CG1-OG 3.33Å; T42-S144 PolarHBondContact O-N 3.18Å
145	A	98.2	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154	175.7	0	0	0	0	0	111	L43 G44 I143 P168 V400 L428	L43-A145 HydrophobicContact CD2-CB 4.24Å; G44-A145 PolarHBondContact N-O 3.35Å; I143-A145 WeakPolarHBondContact CG2-O 3.3Å; A145-P168 WeakPolarHBondContact CA-O 3.43Å; A145-P168 HydrophobicContact CB-CB 4.05Å; A145-V400 HydrophobicContact CB-CG1 3.9Å; A145-V400 HydrophobicContact CB-CG2 3.85Å; A145-L428 HydrophobicContact CB-CD2 4.26Å
146	V	98.6	Very high	95.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.6	-178.8	-178.3	0	0	0	0	110.2	G44 L46 F121 I143 L162 M167 P168 Q169 I170	G44-V146 CarbonylContact O-C 3.53Å; G44-V146 WeakPolarHBondContact O-CA 3.38Å; L46-V146 HydrophobicContact CD1-CG1 3.92Å; L46-V146 HydrophobicContact CG-CG1 4.22Å; F121-V146 HydrophobicContact CD2-CG1 4.35Å; F121-V146 HydrophobicContact CD2-CG2 3.73Å; F121-V146 HydrophobicContact CE2-CG1 4.1Å; F121-V146 HydrophobicContact CE2-CG2 4.23Å; I143-V146 HydrophobicContact CG2-CG2 4.43Å; V146-L162 HydrophobicContact CB-CD1 4.38Å; V146-L162 HydrophobicContact CG2-CD1 4.23Å; V146-L162 HydrophobicContact CG2-CD2 4.14Å; V146-M167 HydrophobicContact CG2-CG 4.36Å; V146-M167 HydrophobicContact CG2-SD 3.72Å; V146-P168 PolarHBondContact N-O 3.34Å; V146-Q169 HydrophobicContact CB-CG 4.48Å; V146-Q169 WeakPolarHBondContact O-CA 3.43Å; V146-I170 PolarHBondContact O-N 3.12Å
147	I	98.6	Very high	95.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.1	171.6	-51.7	-57.6	0	0	0	108.6	G44 L46 F47 M81 I170 Y172 A396 V397 V400	G44-I147 PolarHBondContact O-N 3.29Å; L46-I147 PolarHBondContact N-O 3.05Å; F47-I147 HydrophobicContact CZ-CG2 4.29Å; M81-I147 HydrophobicContact CE-CB 4.32Å; M81-I147 HydrophobicContact CE-CG1 3.91Å; M81-I147 HydrophobicContact SD-CB 4.12Å; M81-I147 HydrophobicContact SD-CG1 4.27Å; M81-I147 HydrophobicContact SD-CG2 4.47Å; I147-I170 HydrophobicContact CD1-CB 4.47Å; I147-I170 HydrophobicContact CD1-CD1 4.33Å; I147-Y172 HydrophobicContact CG2-CD1 4.22Å; I147-A396 HydrophobicContact CD1-CB 3.98Å; I147-A396 HydrophobicContact CG2-CB 4.13Å; I147-V397 HydrophobicContact CD1-CG2 4.45Å; I147-V397 HydrophobicContact CG1-CG2 4.21Å; I147-V400 HydrophobicContact CD1-CG2 4.05Å
148	G	96.8	Very high	95.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.			trans	97.7	-165.6	-173.7	0	0	0	0	0	113.5	Q169 I170	G148-Q169 WeakPolarHBondContact O-CG 3.32Å; G148-Q169 PolarHBondContact O-NE2 2.97Å; G148-I170 PolarHBondContact N-O 2.88Å
149	P	96.3	Very high	95.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.			cis	-75.1	179.7	-0.4	33.1	-34.2	0	0	0	112.4	L46 V114 M154 V155 I158 S171	L46-P149 HydrophobicContact CB-CB 4.03Å; L46-P149 HydrophobicContact CD1-CB 4.34Å; V114-P149 HydrophobicContact CG1-CB 4.45Å; P149-M154 HydrophobicContact CB-CB 3.81Å; P149-M154 HydrophobicContact CB-CG 4.43Å; P149-M154 HydrophobicContact CB-SD 3.68Å; P149-M154 HydrophobicContact CG-CB 3.37Å; P149-M154 HydrophobicContact CG-CG 4.46Å; P149-M154 HydrophobicContact CG-SD 4.33Å; P149-V155 HydrophobicContact CG-CG2 3.92Å; P149-I158 HydrophobicContact CG-CD1 4.27Å; P149-S171 PolarHBondContact O-OG 3.23Å
150	Y	94.9	Very high	96	Very high	34 Å²	34	16.3 Å²	16.3	13%	0.133	9%	0.085	C	C	.	.	S	Bend	trans	-71.8	-41.2	-178.4	178.1	-124.7	0	0	0	114.5	P48 F77 Y172 G173 A174 L389	P48-Y150 HydrophobicContact CG-CD1 4.4Å; F77-Y150 HydrophobicContact CE2-CD2 4.38Å; F77-Y150 HydrophobicContact CE2-CE2 4.33Å; Y150-Y172 HydrophobicContact CD2-CD2 4.15Å; Y150-Y172 AromaticContact CD2-CE2 3.63Å; Y150-Y172 HydrophobicContact CD2-CE2 3.63Å; Y150-Y172 HydrophobicContact CG-CE2 4.21Å; Y150-G173 CarbonylContact O-C 3.42Å; Y150-G173 VanDerWaalsContact O-CA 3.29Å; Y150-G173 WeakPolarHBondContact O-CA 3.31Å; Y150-A174 PolarHBondContact O-N 3.37Å; Y150-L389 HydrophobicContact CE2-CD1 3.72Å
151	T	94.1	Very high	96.1	Very high	13 Å²	13	18.5 Å²	18.5	8%	0.08	10%	0.097	C	C	.	.	S	Bend	trans	-104.2	148.8	-170.9	63.9	0	0	0	0	112.9	E153 M154 V155	T151-E153 VanDerWaalsContact C-N 3.27Å; T151-E153 PolarHBondContact O-N 3.05Å; T151-M154 PolarHBondContact O-N 2.85Å; T151-M154 WeakPolarHBondContact OG1-CG 3.43Å; T151-V155 PolarHBondContact O-N 2.88Å
152	S	96.4	Very high	96.2	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-57	-40	174.7	-60.3	0	0	0	0	112.3	M154 V155 S156 T175 S176 F179	S152-M154 VanDerWaalsContact C-N 3.32Å; S152-M154 PolarHBondContact O-N 3.45Å; S152-V155 PolarHBondContact O-N 2.84Å; S152-V155 VanDerWaalsContact O-N 3.13Å; S152-S156 PolarHBondContact O-N 2.92Å; S152-T175 PolarHBondContact OG-N 2.91Å; S152-S176 PolarHBondContact OG-N 3.43Å; S152-F179 VanDerWaalsContact O-CZ 3.22Å; S152-F179 WeakPolarHBondContact O-CZ 3.07Å
153	E	94.8	Very high	96.2	Very high	33 Å²	33	18 Å²	18	15%	0.154	9%	0.094	C	C	.	.	H	α-helix	trans	-56.9	-43.1	178.1	-166	-153.9	156.6	0	0	112.8	S111 T151 S156 V157 E221 E222 Y251	S111-E153 WeakPolarHBondContact CB-OE1 3.49Å; S111-E153 PolarHBondContact OG-OE1 2.72Å; T151-E153 VanDerWaalsContact C-N 3.27Å; T151-E153 PolarHBondContact O-N 3.05Å; E153-S156 WeakPolarHBondContact O-CB 3.33Å; E153-S156 PolarHBondContact O-N 2.8Å; E153-V157 PolarHBondContact O-N 3.41Å; E153-E221 HydrophobicContact CB-CB 4.46Å; E153-E221 HydrophobicContact CG-CB 4.45Å; E153-E222 HydrophobicContact CB-CB 4.29Å; E153-Y251 PolarHBondContact OE1-OH 2.71Å; E153-Y251 PolarHBondContact OE2-OH 3.42Å
154	M	94.7	Very high	96.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-68.2	-36.5	178.5	-67.1	173.9	-163.7	0	0	111.9	T107 R109 V114 P149 T151 S152 S156 V157 I158	T107-M154 HydrophobicContact CG2-SD 4.18Å; R109-M154 VanDerWaalsContact CA-CE 3.45Å; V114-M154 HydrophobicContact CG1-CB 4.28Å; V114-M154 HydrophobicContact CG1-CG 4.07Å; V114-M154 HydrophobicContact CG1-SD 3.71Å; V114-M154 HydrophobicContact CG2-CB 4.11Å; V114-M154 HydrophobicContact CG2-CG 4.3Å; P149-M154 HydrophobicContact CB-CB 3.81Å; P149-M154 HydrophobicContact CB-CG 4.43Å; P149-M154 HydrophobicContact CB-SD 3.68Å; P149-M154 HydrophobicContact CG-CB 3.37Å; P149-M154 HydrophobicContact CG-CG 4.46Å; P149-M154 HydrophobicContact CG-SD 4.33Å; T151-M154 PolarHBondContact O-N 2.85Å; T151-M154 WeakPolarHBondContact OG1-CG 3.43Å; S152-M154 VanDerWaalsContact C-N 3.32Å; S152-M154 PolarHBondContact O-N 3.45Å; M154-S156 VanDerWaalsContact C-N 3.33Å; M154-V157 PolarHBondContact O-N 2.65Å; M154-V157 VanDerWaalsContact O-N 3.16Å; M154-I158 PolarHBondContact O-N 3.08Å
155	V	97.1	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-41.3	174.5	179.2	0	0	0	0	110.8	P149 T151 S152 V157 I158 G159 A174 F179 F188	P149-V155 HydrophobicContact CG-CG2 3.92Å; T151-V155 PolarHBondContact O-N 2.88Å; S152-V155 PolarHBondContact O-N 2.84Å; S152-V155 VanDerWaalsContact O-N 3.13Å; V155-V157 PolarHBondContact O-N 3.44Å; V155-V157 VanDerWaalsContact O-N 3.12Å; V155-I158 PolarHBondContact O-N 3.21Å; V155-G159 WeakPolarHBondContact O-CA 3.35Å; V155-G159 PolarHBondContact O-N 3.17Å; V155-A174 HydrophobicContact CB-CB 4.42Å; V155-A174 HydrophobicContact CG2-CB 3.51Å; V155-F179 HydrophobicContact CB-CD1 4.45Å; V155-F179 HydrophobicContact CB-CD2 4.37Å; V155-F179 HydrophobicContact CB-CE1 3.95Å; V155-F179 HydrophobicContact CB-CE2 3.84Å; V155-F179 HydrophobicContact CB-CZ 3.64Å; V155-F179 HydrophobicContact CG1-CD1 3.59Å; V155-F179 HydrophobicContact CG1-CD2 3.95Å; V155-F179 HydrophobicContact CG1-CE1 3.53Å; V155-F179 HydrophobicContact CG1-CE2 3.88Å; V155-F179 HydrophobicContact CG1-CG 3.83Å; V155-F179 HydrophobicContact CG1-CZ 3.7Å; V155-F188 HydrophobicContact CB-CE2 4.4Å; V155-F188 HydrophobicContact CG1-CD2 3.72Å; V155-F188 HydrophobicContact CG1-CE2 3.5Å; V155-F188 HydrophobicContact CG1-CZ 4.36Å; V155-F188 HydrophobicContact CG2-CE2 3.96Å
156	S	95.9	Very high	96	Very high	30 Å²	30	28.1 Å²	28.1	21%	0.21	14%	0.141	C	C	.	.	H	α-helix	trans	-56.4	-28.5	174.8	-82.1	0	0	0	0	113.1	S152 E153 M154 E222	S152-S156 PolarHBondContact O-N 2.92Å; E153-S156 WeakPolarHBondContact O-CB 3.33Å; E153-S156 PolarHBondContact O-N 2.8Å; M154-S156 VanDerWaalsContact C-N 3.33Å; S156-E222 VanDerWaalsContact OG-CD 3.27Å; S156-E222 PolarHBondContact OG-OE2 2.75Å
157	V	95.1	Very high	95.9	Very high	67 Å²	67	28.1 Å²	28.1	41%	0.406	14%	0.141	S	C	.	.	H	α-helix	trans	-80.5	-46.9	178	177.2	0	0	0	0	112.4	V115 E153 M154 V155	V115-V157 HydrophobicContact CG2-CG1 3.65Å; E153-V157 PolarHBondContact O-N 3.41Å; M154-V157 PolarHBondContact O-N 2.65Å; M154-V157 VanDerWaalsContact O-N 3.16Å; V155-V157 PolarHBondContact O-N 3.44Å; V155-V157 VanDerWaalsContact O-N 3.12Å
158	I	96.8	Very high	95.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-103.3	-19	-169	70.3	170.3	0	0	0	114.5	L46 V114 T118 P149 M154 V155 K160 L161 L162	L46-I158 HydrophobicContact CD1-CD1 3.49Å; L46-I158 VanDerWaalsContact CD1-CD1 3.49Å; V114-I158 HydrophobicContact CB-CG2 4.18Å; V114-I158 HydrophobicContact CG2-CG2 3.6Å; T118-I158 HydrophobicContact CG2-CB 4.01Å; T118-I158 HydrophobicContact CG2-CG2 4.25Å; T118-I158 WeakPolarHBondContact OG1-CD1 3.24Å; T118-I158 WeakPolarHBondContact OG1-CG2 3.46Å; P149-I158 HydrophobicContact CG-CD1 4.27Å; M154-I158 PolarHBondContact O-N 3.08Å; V155-I158 PolarHBondContact O-N 3.21Å; I158-K160 PolarHBondContact O-N 3.23Å; I158-L161 WeakPolarHBondContact O-CB 3.43Å; I158-L161 PolarHBondContact O-N 2.99Å; I158-L161 VanDerWaalsContact O-N 3.08Å; I158-L162 HydrophobicContact CD1-CD1 4.01Å; I158-L162 HydrophobicContact CG1-CD1 4.22Å; I158-L162 PolarHBondContact O-N 3.48Å
159	G	96.5	Very high	95.9	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-37.8	-169.9	0	0	0	0	0	113.4	V155 G163	V155-G159 WeakPolarHBondContact O-CA 3.35Å; V155-G159 PolarHBondContact O-N 3.17Å; G159-G163 PolarHBondContact O-N 3.34Å
160	K	95.8	Very high	96	Very high	116 Å²	116	28.1 Å²	28.1	50%	0.504	14%	0.141	S	C	.	.	H	α-helix	trans	-68.1	-35.9	175	-66.7	-177.3	179	179.9	0	112.5	I158 G163 F164 Y185	I158-K160 PolarHBondContact O-N 3.23Å; K160-G163 PolarHBondContact O-N 2.9Å; K160-F164 PolarHBondContact O-N 3.02Å; K160-Y185 HydrophobicContact CG-CD1 4.37Å; K160-Y185 HydrophobicContact CG-CE1 3.86Å
161	L	95.3	Very high	96.2	Very high	65 Å²	65	26.5 Å²	26.5	34%	0.34	14%	0.135	S	C	.	.	H	α-helix	trans	-67.6	-45.6	178.1	177.1	61.6	0	0	0	110.4	T118 L122 I158 G163 F164 F165	T118-L161 HydrophobicContact CG2-CD2 3.99Å; L122-L161 HydrophobicContact CD1-CD1 4.05Å; L122-L161 HydrophobicContact CD1-CD2 3.94Å; L122-L161 HydrophobicContact CD1-CG 3.65Å; I158-L161 WeakPolarHBondContact O-CB 3.43Å; I158-L161 PolarHBondContact O-N 2.99Å; I158-L161 VanDerWaalsContact O-N 3.08Å; L161-G163 VanDerWaalsContact C-N 3.33Å; L161-F164 PolarHBondContact O-N 2.96Å; L161-F165 HydrophobicContact CD1-CE2 4.45Å
162	L	96.9	Very high	96.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-39.2	173.3	-67.2	174.4	0	0	0	111.7	T118 L122 V146 I158 F164 F165 L166 M167 Q169	T118-L162 HydrophobicContact CG2-CD1 4.5Å; T118-L162 HydrophobicContact CG2-CD2 3.84Å; T118-L162 HydrophobicContact CG2-CG 4.02Å; L122-L162 HydrophobicContact CD2-CD2 4.09Å; L122-L162 HydrophobicContact CG-CD2 4.39Å; V146-L162 HydrophobicContact CB-CD1 4.38Å; V146-L162 HydrophobicContact CG2-CD1 4.23Å; V146-L162 HydrophobicContact CG2-CD2 4.14Å; I158-L162 HydrophobicContact CD1-CD1 4.01Å; I158-L162 HydrophobicContact CG1-CD1 4.22Å; I158-L162 PolarHBondContact O-N 3.48Å; L162-F164 VanDerWaalsContact C-N 3.3Å; L162-F164 PolarHBondContact O-N 3.16Å; L162-F165 CarbonylContact O-C 3.58Å; L162-F165 PolarHBondContact O-N 3.11Å; L162-F165 VanDerWaalsContact O-N 3.15Å; L162-L166 PolarHBondContact O-N 3.49Å; L162-L166 VanDerWaalsContact O-N 3.14Å; L162-M167 HydrophobicContact CB-CB 4.38Å; L162-M167 HydrophobicContact CD2-CB 4.16Å; L162-M167 HydrophobicContact CD2-CG 4.14Å; L162-M167 HydrophobicContact CD2-SD 3.6Å; L162-M167 PolarHBondContact O-N 3.41Å; L162-Q169 HydrophobicContact CD1-CB 3.95Å; L162-Q169 HydrophobicContact CD1-CG 3.86Å
163	G	96	Very high	96.2	Very high	6 Å²	6	26.5 Å²	26.5	6%	0.062	14%	0.137	C	C	.	.	H	α-helix	trans	-59.8	-35.2	175.6	0	0	0	0	0	113.9	G159 K160 L161 F165 L166 S187	G159-G163 PolarHBondContact O-N 3.34Å; K160-G163 PolarHBondContact O-N 2.9Å; L161-G163 VanDerWaalsContact C-N 3.33Å; G163-F165 VanDerWaalsContact C-N 3.32Å; G163-F165 PolarHBondContact O-N 3.36Å; G163-L166 PolarHBondContact O-N 3.45Å; G163-S187 WeakPolarHBondContact CA-OG 3.36Å; G163-S187 PolarHBondContact N-OG 3.1Å
164	F	94	Very high	96.3	Very high	134 Å²	134	25 Å²	25	59%	0.588	13%	0.13	S	C	*	.	H	α-helix	trans	-61.2	-39.7	174.7	174.9	-95.5	0	0	0	112.4	Y136 K160 L161 L162 L166	Y136-F164 AromaticContact CD2-CE1 3.68Å; Y136-F164 HydrophobicContact CD2-CE1 3.68Å; Y136-F164 AromaticContact CD2-CZ 3.94Å; Y136-F164 HydrophobicContact CD2-CZ 3.94Å; Y136-F164 AromaticContact CE2-CE1 3.58Å; Y136-F164 HydrophobicContact CE2-CE1 3.58Å; Y136-F164 AromaticContact CE2-CZ 3.85Å; Y136-F164 HydrophobicContact CE2-CZ 3.85Å; K160-F164 PolarHBondContact O-N 3.02Å; L161-F164 PolarHBondContact O-N 2.96Å; L162-F164 VanDerWaalsContact C-N 3.3Å; L162-F164 PolarHBondContact O-N 3.16Å; F164-L166 PolarHBondContact O-N 2.68Å
165	F	94.2	Very high	96.4	Very high	21 Å²	21	25.3 Å²	25.3	9%	0.092	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	1.8	174.8	-71.8	-90.7	0	0	0	113.1	L122 L130 Y136 Y139 L161 L162 G163 M167	L122-F165 HydrophobicContact CD1-CD2 3.83Å; L122-F165 HydrophobicContact CD1-CE2 3.85Å; L122-F165 HydrophobicContact CD2-CB 3.89Å; L122-F165 HydrophobicContact CD2-CD1 4.29Å; L122-F165 HydrophobicContact CD2-CD2 3.54Å; L122-F165 HydrophobicContact CD2-CE2 4.15Å; L122-F165 HydrophobicContact CD2-CG 3.64Å; L122-F165 HydrophobicContact CG-CD2 4.21Å; L122-F165 HydrophobicContact CG-CE2 4.4Å; L130-F165 HydrophobicContact CD1-CE1 4.31Å; L130-F165 HydrophobicContact CD1-CZ 3.86Å; Y136-F165 HydrophobicContact CD1-CD1 4.16Å; Y136-F165 AromaticContact CD1-CE1 3.43Å; Y136-F165 HydrophobicContact CD1-CE1 3.43Å; Y136-F165 VanDerWaalsContact CD1-CE1 3.43Å; Y136-F165 HydrophobicContact CD1-CZ 4.26Å; Y136-F165 HydrophobicContact CD2-CE1 4.43Å; Y136-F165 AromaticContact CE1-CE1 3.56Å; Y136-F165 HydrophobicContact CE1-CE1 3.56Å; Y136-F165 AromaticContact CE1-CZ 3.97Å; Y136-F165 HydrophobicContact CE1-CZ 3.97Å; Y136-F165 HydrophobicContact CG-CD1 4.31Å; Y136-F165 AromaticContact CG-CE1 3.88Å; Y136-F165 HydrophobicContact CG-CE1 3.88Å; Y139-F165 HydrophobicContact CD1-CD1 4.31Å; Y139-F165 HydrophobicContact CD1-CE1 4.19Å; Y139-F165 HydrophobicContact CE1-CE1 4.12Å; L161-F165 HydrophobicContact CD1-CE2 4.45Å; L162-F165 CarbonylContact O-C 3.58Å; L162-F165 PolarHBondContact O-N 3.11Å; L162-F165 VanDerWaalsContact O-N 3.15Å; G163-F165 VanDerWaalsContact C-N 3.32Å; G163-F165 PolarHBondContact O-N 3.36Å; F165-M167 HydrophobicContact CB-CB 4.4Å; F165-M167 PolarHBondContact O-N 3.32Å; F165-M167 VanDerWaalsContact O-N 3.15Å
166	L	96.3	Very high	96.3	Very high	65 Å²	65	25.3 Å²	25.3	34%	0.34	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	36.1	-170.1	-63.2	174.6	0	0	0	111.9	L162 G163 F164 P168 P186 P425 W426 L429	L162-L166 PolarHBondContact O-N 3.49Å; L162-L166 VanDerWaalsContact O-N 3.14Å; G163-L166 PolarHBondContact O-N 3.45Å; F164-L166 PolarHBondContact O-N 2.68Å; L166-P168 WeakPolarHBondContact O-CD 3.33Å; L166-P186 HydrophobicContact CD2-CB 4.11Å; L166-P186 HydrophobicContact CD2-CG 4.08Å; L166-P425 CarbonylContact O-C 3.45Å; L166-W426 HydrophobicContact CB-CB 3.67Å; L166-W426 HydrophobicContact CD1-CB 3.73Å; L166-W426 HydrophobicContact CG-CB 4.36Å; L166-L429 HydrophobicContact CB-CD2 3.82Å; L166-L429 HydrophobicContact CD2-CD2 3.99Å; L166-L429 HydrophobicContact CG-CD2 4.44Å
167	M	97.4	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.			trans	-79.4	120.1	-179.5	179.8	169.7	-69.5	0	0	110.3	L122 T141 I143 V146 L162 F165 Q169 S187 P425	L122-M167 HydrophobicContact CD2-CE 3.63Å; L122-M167 HydrophobicContact CD2-SD 4Å; T141-M167 HydrophobicContact CG2-CE 3.59Å; T141-M167 VanDerWaalsContact OG1-CE 3.25Å; T141-M167 WeakPolarHBondContact OG1-CE 3.46Å; I143-M167 VanDerWaalsContact O-CE 3.24Å; I143-M167 WeakPolarHBondContact O-CE 3.34Å; V146-M167 HydrophobicContact CG2-CG 4.36Å; V146-M167 HydrophobicContact CG2-SD 3.72Å; L162-M167 HydrophobicContact CB-CB 4.38Å; L162-M167 HydrophobicContact CD2-CB 4.16Å; L162-M167 HydrophobicContact CD2-CG 4.14Å; L162-M167 HydrophobicContact CD2-SD 3.6Å; L162-M167 PolarHBondContact O-N 3.41Å; F165-M167 HydrophobicContact CB-CB 4.4Å; F165-M167 PolarHBondContact O-N 3.32Å; F165-M167 VanDerWaalsContact O-N 3.15Å; M167-Q169 PolarHBondContact O-N 3.42Å; M167-Q169 VanDerWaalsContact O-N 3.16Å; M167-S187 WeakPolarHBondContact O-CB 3.44Å; M167-S187 PolarHBondContact O-OG 3.47Å; M167-P425 HydrophobicContact CB-CB 4.1Å; M167-P425 HydrophobicContact CE-CB 4.49Å; M167-P425 HydrophobicContact CE-CG 4.01Å; M167-P425 HydrophobicContact CG-CB 4.35Å
168	P	98	Very high	96.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.			trans	-56.9	121.8	177.6	-23.7	32.7	0	0	0	110.9	A145 V146 L166 P425 L428 L429 L432	A145-P168 WeakPolarHBondContact CA-O 3.43Å; A145-P168 HydrophobicContact CB-CB 4.05Å; V146-P168 PolarHBondContact N-O 3.34Å; L166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-P425 WeakPolarHBondContact CD-O 3.42Å; P168-L428 HydrophobicContact CG-CB 4.36Å; P168-L428 HydrophobicContact CG-CD2 4.32Å; P168-L428 HydrophobicContact CG-CG 4.15Å; P168-L429 HydrophobicContact CG-CB 3.93Å; P168-L429 HydrophobicContact CG-CD1 4.34Å; P168-L432 HydrophobicContact CB-CD2 3.86Å
169	Q	98.2	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.5	174.7	-177.3	-169.5	-3.7	0	0	108.3	V146 G148 L162 M167 S187 F188 F189	V146-Q169 HydrophobicContact CB-CG 4.48Å; V146-Q169 WeakPolarHBondContact O-CA 3.43Å; G148-Q169 WeakPolarHBondContact O-CG 3.32Å; G148-Q169 PolarHBondContact O-NE2 2.97Å; L162-Q169 HydrophobicContact CD1-CB 3.95Å; L162-Q169 HydrophobicContact CD1-CG 3.86Å; M167-Q169 PolarHBondContact O-N 3.42Å; M167-Q169 VanDerWaalsContact O-N 3.16Å; Q169-S187 PolarHBondContact N-O 3.33Å; Q169-F188 HydrophobicContact CG-CD2 4.46Å; Q169-F188 CarbonylContact O-C 3.58Å; Q169-F189 PolarHBondContact O-N 3.38Å
170	I	98.5	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	103.5	179.4	-54.6	146.5	0	0	0	108.8	V146 I147 G148 F189 T191 A396 V400 L432	V146-I170 PolarHBondContact O-N 3.12Å; I147-I170 HydrophobicContact CD1-CB 4.47Å; I147-I170 HydrophobicContact CD1-CD1 4.33Å; G148-I170 PolarHBondContact N-O 2.88Å; I170-F189 CarbonylContact C-O 3.54Å; I170-F189 VanDerWaalsContact CA-O 3.31Å; I170-F189 WeakPolarHBondContact CA-O 3.31Å; I170-F189 HydrophobicContact CB-CB 4.29Å; I170-F189 HydrophobicContact CG1-CB 3.74Å; I170-F189 HydrophobicContact CG1-CG 4.45Å; I170-F189 HydrophobicContact CG2-CB 4.24Å; I170-T191 HydrophobicContact CG2-CG2 3.82Å; I170-A396 HydrophobicContact CB-CB 4.08Å; I170-A396 HydrophobicContact CG2-CB 3.48Å; I170-A396 VanDerWaalsContact CG2-CB 3.48Å; I170-V400 HydrophobicContact CD1-CG2 3.19Å; I170-L432 HydrophobicContact CD1-CD2 3.97Å; I170-L432 HydrophobicContact CG1-CD2 4.19Å
171	S	98	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.8	176.1	-178.2	0	0	0	0	111.5	P149 G173 A174 F189 R190 T191	P149-S171 PolarHBondContact O-OG 3.23Å; S171-G173 PolarHBondContact OG-N 3.37Å; S171-A174 WeakPolarHBondContact OG-CB 3.27Å; S171-A174 PolarHBondContact OG-N 3.39Å; S171-F189 PolarHBondContact N-O 3.49Å; S171-R190 CarbonylContact O-C 3.59Å; S171-R190 WeakPolarHBondContact O-CA 3.4Å; S171-R190 WeakPolarHBondContact O-CB 3.33Å; S171-T191 PolarHBondContact O-N 3.14Å
172	Y	96.3	Very high	96.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-98.9	5.5	176	61.4	-93.8	0	0	0	112.9	L46 F47 P48 F77 I147 Y150 V192 V393	L46-Y172 PolarHBondContact O-OH 2.96Å; F47-Y172 AromaticContact CD1-CE1 3.89Å; F47-Y172 HydrophobicContact CD1-CE1 3.89Å; F47-Y172 AromaticContact CD1-CZ 3.68Å; F47-Y172 WeakPolarHBondContact CD1-OH 3.23Å; F47-Y172 HydrophobicContact CE1-CD1 4.32Å; F47-Y172 AromaticContact CE1-CE1 3.54Å; F47-Y172 HydrophobicContact CE1-CE1 3.54Å; F47-Y172 AromaticContact CE1-CZ 3.73Å; F47-Y172 HydrophobicContact CZ-CE1 4.32Å; P48-Y172 WeakPolarHBondContact CD-OH 3.34Å; F77-Y172 HydrophobicContact CB-CE2 4.33Å; F77-Y172 AromaticContact CD2-CE2 3.8Å; F77-Y172 HydrophobicContact CD2-CE2 3.8Å; F77-Y172 HydrophobicContact CE2-CE2 4.34Å; F77-Y172 HydrophobicContact CG-CE2 4.09Å; I147-Y172 HydrophobicContact CG2-CD1 4.22Å; Y150-Y172 HydrophobicContact CD2-CD2 4.15Å; Y150-Y172 AromaticContact CD2-CE2 3.63Å; Y150-Y172 HydrophobicContact CD2-CE2 3.63Å; Y150-Y172 HydrophobicContact CG-CE2 4.21Å; Y172-V192 VanDerWaalsContact O-CG1 3.25Å; Y172-V192 WeakPolarHBondContact O-CG1 3.41Å; Y172-V393 HydrophobicContact CD1-CG2 3.87Å; Y172-V393 HydrophobicContact CD2-CG2 3.55Å; Y172-V393 HydrophobicContact CE1-CG2 4.34Å; Y172-V393 HydrophobicContact CE2-CG2 4.04Å; Y172-V393 HydrophobicContact CG-CG2 3.45Å; Y172-V393 VanDerWaalsContact CG-CG2 3.45Å
173	G	94.8	Very high	96.1	Very high	15 Å²	15	31.4 Å²	31.4	16%	0.155	16%	0.162	C	C	.	.	S	Bend	trans	-154.5	-12.1	-175.4	0	0	0	0	0	116.5	Y150 S171 T175	Y150-G173 CarbonylContact O-C 3.42Å; Y150-G173 VanDerWaalsContact O-CA 3.29Å; Y150-G173 WeakPolarHBondContact O-CA 3.31Å; S171-G173 PolarHBondContact OG-N 3.37Å; G173-T175 PolarHBondContact O-N 3.25Å
174	A	96.6	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.			trans	-81.5	107.8	176.8	0	0	0	0	0	110.8	Y150 V155 S171 F179 F188 R190	Y150-A174 PolarHBondContact O-N 3.37Å; V155-A174 HydrophobicContact CB-CB 4.42Å; V155-A174 HydrophobicContact CG2-CB 3.51Å; S171-A174 WeakPolarHBondContact OG-CB 3.27Å; S171-A174 PolarHBondContact OG-N 3.39Å; A174-F179 HydrophobicContact CB-CD2 4.46Å; A174-F179 HydrophobicContact CB-CE2 4.25Å; A174-F188 HydrophobicContact CB-CZ 4.3Å; A174-R190 WeakPolarHBondContact O-CD 3.39Å
175	T	96.3	Very high	96.2	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.049	15%	0.151	C	C	.	.			trans	-106.7	-3.3	-172.2	56.4	0	0	0	0	114.1	S152 G173 D177 R190 V192 P193 D195 Y223	S152-T175 PolarHBondContact OG-N 2.91Å; G173-T175 PolarHBondContact O-N 3.25Å; T175-D177 PolarHBondContact O-N 2.91Å; T175-R190 VanDerWaalsContact CA-NH1 3.34Å; T175-R190 PolarHBondContact O-NH1 3.37Å; T175-V192 HydrophobicContact CG2-CB 4.08Å; T175-V192 HydrophobicContact CG2-CG2 3.57Å; T175-P193 WeakPolarHBondContact CG2-O 3.31Å; T175-D195 VanDerWaalsContact C-CG 3.45Å; T175-D195 WeakPolarHBondContact CB-OD1 3.37Å; T175-D195 WeakPolarHBondContact O-CB 3.38Å; T175-D195 PolarHBondContact O-N 3.33Å; T175-D195 PolarHBondContact OG1-OD1 3.08Å; T175-D195 PolarHBondContact OG1-OD2 3.17Å; T175-Y223 WeakPolarHBondContact OG1-CD2 3.42Å; T175-Y223 WeakPolarHBondContact OG1-CE2 3.31Å
176	S	96.5	Very high	96.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.			trans	-57.9	132.7	177.4	175.5	0	0	0	0	111.3	S152 K178 F179 R190 D195 S226	S152-S176 PolarHBondContact OG-N 3.43Å; S176-K178 PolarHBondContact O-N 2.74Å; S176-K178 WeakPolarHBondContact OG-CB 3.47Å; S176-K178 PolarHBondContact OG-N 3.31Å; S176-F179 WeakPolarHBondContact O-CD2 3.35Å; S176-R190 PolarHBondContact O-NH1 2.77Å; S176-D195 WeakPolarHBondContact CA-OD2 3.49Å; S176-D195 PolarHBondContact N-OD2 3.49Å; S176-S226 PolarHBondContact OG-OG 3.35Å
177	D	95.3	Very high	96.4	Very high	37 Å²	37	26 Å²	26	20%	0.198	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-70.5	-12.4	-179.6	-166.4	52.5	0	0	0	113.3	T175 F179 S180 R190 S194 K196 Q230	T175-D177 PolarHBondContact O-N 2.91Å; D177-F179 PolarHBondContact O-N 2.87Å; D177-F179 VanDerWaalsContact O-N 3.17Å; D177-S180 VanDerWaalsContact O-CB 3.25Å; D177-S180 WeakPolarHBondContact O-CB 3.49Å; D177-S180 PolarHBondContact O-N 3.2Å; D177-S180 PolarHBondContact O-OG 3.38Å; D177-S180 PolarHBondContact OD1-OG 3.42Å; D177-R190 IonicContact OD1-NH2 2.71Å; D177-S194 WeakPolarHBondContact CB-OG 3.21Å; D177-S194 PolarHBondContact OD1-OG 3.43Å; D177-K196 HydrophobicContact CB-CB 4.09Å; D177-Q230 PolarHBondContact OD2-NE2 3.4Å
178	K	95.2	Very high	96.4	Very high	84 Å²	84	26.2 Å²	26.2	37%	0.365	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-56.6	-30.4	176	-177.4	-179	-177.4	-176	0	113	S176 S180 D181 Y185 E222	S176-K178 PolarHBondContact O-N 2.74Å; S176-K178 WeakPolarHBondContact OG-CB 3.47Å; S176-K178 PolarHBondContact OG-N 3.31Å; K178-S180 VanDerWaalsContact C-N 3.27Å; K178-S180 PolarHBondContact O-N 3.49Å; K178-D181 PolarHBondContact O-N 3.49Å; K178-Y185 HydrophobicContact CG-CE2 4.23Å; K178-E222 WeakPolarHBondContact CD-OE1 3.36Å; K178-E222 IonicContact NZ-OE1 3.11Å; K178-E222 PolarHBondContact NZ-OE1 3.45Å; K178-E222 IonicContact NZ-OE2 3.94Å; K178-E222 PolarHBondContact NZ-OE2 3.26Å
179	F	96.4	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-81.2	-7.1	-179.3	-48.8	-53.1	0	0	0	113.6	S152 V155 A174 S176 D177 D181 Y185 F188 E222	S152-F179 VanDerWaalsContact O-CZ 3.22Å; S152-F179 WeakPolarHBondContact O-CZ 3.07Å; V155-F179 HydrophobicContact CB-CD1 4.45Å; V155-F179 HydrophobicContact CB-CD2 4.37Å; V155-F179 HydrophobicContact CB-CE1 3.95Å; V155-F179 HydrophobicContact CB-CE2 3.84Å; V155-F179 HydrophobicContact CB-CZ 3.64Å; V155-F179 HydrophobicContact CG1-CD1 3.59Å; V155-F179 HydrophobicContact CG1-CD2 3.95Å; V155-F179 HydrophobicContact CG1-CE1 3.53Å; V155-F179 HydrophobicContact CG1-CE2 3.88Å; V155-F179 HydrophobicContact CG1-CG 3.83Å; V155-F179 HydrophobicContact CG1-CZ 3.7Å; A174-F179 HydrophobicContact CB-CD2 4.46Å; A174-F179 HydrophobicContact CB-CE2 4.25Å; S176-F179 WeakPolarHBondContact O-CD2 3.35Å; D177-F179 PolarHBondContact O-N 2.87Å; D177-F179 VanDerWaalsContact O-N 3.17Å; F179-D181 PolarHBondContact O-N 3.47Å; F179-Y185 HydrophobicContact CD1-CD1 4.05Å; F179-Y185 AromaticContact CD1-CD2 3.94Å; F179-Y185 HydrophobicContact CD1-CD2 3.94Å; F179-Y185 AromaticContact CD1-CE1 3.83Å; F179-Y185 HydrophobicContact CD1-CE1 3.83Å; F179-Y185 AromaticContact CD1-CE2 3.71Å; F179-Y185 HydrophobicContact CD1-CE2 3.71Å; F179-Y185 HydrophobicContact CD1-CG 4.1Å; F179-Y185 AromaticContact CD1-CZ 3.65Å; F179-Y185 HydrophobicContact CE1-CE1 4.06Å; F179-Y185 HydrophobicContact CE1-CE2 4.21Å; F179-Y185 AromaticContact CE1-CZ 3.79Å; F179-F188 HydrophobicContact CB-CD1 3.38Å; F179-F188 HydrophobicContact CB-CD2 4.37Å; F179-F188 HydrophobicContact CB-CE1 3.38Å; F179-F188 HydrophobicContact CB-CE2 4.37Å; F179-F188 HydrophobicContact CB-CG 3.9Å; F179-F188 HydrophobicContact CB-CZ 3.9Å; F179-F188 HydrophobicContact CD2-CE1 4.26Å; F179-F188 HydrophobicContact CD2-CE2 4.47Å; F179-F188 AromaticContact CD2-CZ 3.99Å; F179-F188 HydrophobicContact CD2-CZ 3.99Å; F179-F188 HydrophobicContact CG-CD1 4.4Å; F179-F188 HydrophobicContact CG-CE1 4.14Å; F179-F188 HydrophobicContact CG-CE2 4.45Å; F179-F188 HydrophobicContact CG-CZ 4.17Å; F179-E222 HydrophobicContact CZ-CG 4.39Å
180	S	95.9	Very high	96.4	Very high	13 Å²	13	26.5 Å²	26.5	9%	0.091	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-73.6	-7.1	170.1	-52.2	0	0	0	0	112.5	D177 K178 N182 R190 N449 N451	D177-S180 VanDerWaalsContact O-CB 3.25Å; D177-S180 WeakPolarHBondContact O-CB 3.49Å; D177-S180 PolarHBondContact O-N 3.2Å; D177-S180 PolarHBondContact O-OG 3.38Å; D177-S180 PolarHBondContact OD1-OG 3.42Å; K178-S180 VanDerWaalsContact C-N 3.27Å; K178-S180 PolarHBondContact O-N 3.49Å; S180-N182 PolarHBondContact O-N 3.38Å; S180-R190 PolarHBondContact OG-NH2 3.44Å; S180-N449 WeakPolarHBondContact O-CB 3.32Å; S180-N449 PolarHBondContact O-OD1 2.83Å; S180-N451 PolarHBondContact OG-ND2 3.02Å; S180-N451 PolarHBondContact OG-OD1 2.81Å
181	D	96.4	Very high	96.3	Very high	66 Å²	66	26.6 Å²	26.6	35%	0.353	14%	0.143	S	C	.	.			trans	-80.4	94.5	174.8	-173.9	-13.5	0	0	0	110.5	K178 F179 L183 L184 Y185	K178-D181 PolarHBondContact O-N 3.49Å; F179-D181 PolarHBondContact O-N 3.47Å; D181-L183 PolarHBondContact O-N 3.42Å; D181-L183 VanDerWaalsContact O-N 3.12Å; D181-L183 VanDerWaalsContact OD1-CB 3.32Å; D181-L183 WeakPolarHBondContact OD1-CB 3.48Å; D181-L183 PolarHBondContact OD1-N 3.31Å; D181-L184 HydrophobicContact CB-CB 4.42Å; D181-L184 PolarHBondContact O-N 2.89Å; D181-L184 WeakPolarHBondContact OD2-CD1 3.49Å; D181-Y185 PolarHBondContact O-N 3.2Å
182	N	93.6	Very high	96.1	Very high	48 Å²	48	26.6 Å²	26.6	26%	0.257	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.5	179.3	-73.6	-23.4	0	0	0	114.6	S180 P186 E448 N449	S180-N182 PolarHBondContact O-N 3.38Å; N182-P186 VanDerWaalsContact O-CA 3.23Å; N182-P186 WeakPolarHBondContact O-CA 3.36Å; N182-P186 WeakPolarHBondContact O-CB 3.25Å; N182-E448 PolarHBondContact ND2-O 3.47Å; N182-N449 PolarHBondContact ND2-OD1 2.9Å
183	L	94.1	Very high	96.1	Very high	162 Å²	162	26.6 Å²	26.6	85%	0.848	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-33.6	174.4	-62.5	174	0	0	0	111.1	D181	D181-L183 PolarHBondContact O-N 3.42Å; D181-L183 VanDerWaalsContact O-N 3.12Å; D181-L183 VanDerWaalsContact OD1-CB 3.32Å; D181-L183 WeakPolarHBondContact OD1-CB 3.48Å; D181-L183 PolarHBondContact OD1-N 3.31Å
184	L	95.4	Very high	96.1	Very high	81 Å²	81	26 Å²	26	42%	0.424	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-32.6	-179.7	-64.3	-180	0	0	0	112.8	D181 P186	D181-L184 HydrophobicContact CB-CB 4.42Å; D181-L184 PolarHBondContact O-N 2.89Å; D181-L184 WeakPolarHBondContact OD2-CD1 3.49Å; L184-P186 VanDerWaalsContact C-CD 3.5Å
185	Y	97.4	Very high	96	Very high	2 Å²	2	26 Å²	26	1%	0.008	14%	0.136	C	C	.	.			trans	-130.7	62.2	-176.4	-59.5	-82.1	0	0	0	111.4	K160 K178 F179 D181 S187 F188	K160-Y185 HydrophobicContact CG-CD1 4.37Å; K160-Y185 HydrophobicContact CG-CE1 3.86Å; K178-Y185 HydrophobicContact CG-CE2 4.23Å; F179-Y185 HydrophobicContact CD1-CD1 4.05Å; F179-Y185 AromaticContact CD1-CD2 3.94Å; F179-Y185 HydrophobicContact CD1-CD2 3.94Å; F179-Y185 AromaticContact CD1-CE1 3.83Å; F179-Y185 HydrophobicContact CD1-CE1 3.83Å; F179-Y185 AromaticContact CD1-CE2 3.71Å; F179-Y185 HydrophobicContact CD1-CE2 3.71Å; F179-Y185 HydrophobicContact CD1-CG 4.1Å; F179-Y185 AromaticContact CD1-CZ 3.65Å; F179-Y185 HydrophobicContact CE1-CE1 4.06Å; F179-Y185 HydrophobicContact CE1-CE2 4.21Å; F179-Y185 AromaticContact CE1-CZ 3.79Å; D181-Y185 PolarHBondContact O-N 3.2Å; Y185-S187 PolarHBondContact O-N 3.34Å; Y185-F188 PolarHBondContact O-N 3.04Å
186	P	96.8	Very high	95.9	Very high	30 Å²	30	30.8 Å²	30.8	20%	0.195	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.2	-170.1	25.9	-36.5	0	0	0	115.4	L166 N182 L184 R433	L166-P186 HydrophobicContact CD2-CB 4.11Å; L166-P186 HydrophobicContact CD2-CG 4.08Å; N182-P186 VanDerWaalsContact O-CA 3.23Å; N182-P186 WeakPolarHBondContact O-CA 3.36Å; N182-P186 WeakPolarHBondContact O-CB 3.25Å; L184-P186 VanDerWaalsContact C-CD 3.5Å; P186-R433 PolarHBondContact O-NH2 3.13Å
187	S	97.3	Very high	95.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	11.4	-177.3	71.3	0	0	0	0	114.1	G163 M167 Q169 Y185	G163-S187 WeakPolarHBondContact CA-OG 3.36Å; G163-S187 PolarHBondContact N-OG 3.1Å; M167-S187 WeakPolarHBondContact O-CB 3.44Å; M167-S187 PolarHBondContact O-OG 3.47Å; Q169-S187 PolarHBondContact N-O 3.33Å; Y185-S187 PolarHBondContact O-N 3.34Å
188	F	98.3	Very high	95.8	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137	-179.2	-178.4	-93.4	0	0	0	112.2	V155 Q169 A174 F179 Y185 R190	V155-F188 HydrophobicContact CB-CE2 4.4Å; V155-F188 HydrophobicContact CG1-CD2 3.72Å; V155-F188 HydrophobicContact CG1-CE2 3.5Å; V155-F188 HydrophobicContact CG1-CZ 4.36Å; V155-F188 HydrophobicContact CG2-CE2 3.96Å; Q169-F188 HydrophobicContact CG-CD2 4.46Å; Q169-F188 CarbonylContact O-C 3.58Å; A174-F188 HydrophobicContact CB-CZ 4.3Å; F179-F188 HydrophobicContact CB-CD1 3.38Å; F179-F188 HydrophobicContact CB-CD2 4.37Å; F179-F188 HydrophobicContact CB-CE1 3.38Å; F179-F188 HydrophobicContact CB-CE2 4.37Å; F179-F188 HydrophobicContact CB-CG 3.9Å; F179-F188 HydrophobicContact CB-CZ 3.9Å; F179-F188 HydrophobicContact CD2-CE1 4.26Å; F179-F188 HydrophobicContact CD2-CE2 4.47Å; F179-F188 AromaticContact CD2-CZ 3.99Å; F179-F188 HydrophobicContact CD2-CZ 3.99Å; F179-F188 HydrophobicContact CG-CD1 4.4Å; F179-F188 HydrophobicContact CG-CE1 4.14Å; F179-F188 HydrophobicContact CG-CE2 4.45Å; F179-F188 HydrophobicContact CG-CZ 4.17Å; Y185-F188 PolarHBondContact O-N 3.04Å; F188-R190 HydrophobicContact CE1-CB 4.09Å; F188-R190 HydrophobicContact CE1-CG 4.16Å; F188-R190 HydrophobicContact CZ-CB 4.13Å
189	F	98.2	Very high	95.9	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.3	172.4	-72.7	-100.5	0	0	0	108.9	Q169 I170 S171 L429 L432 R433 F446 G450	Q169-F189 PolarHBondContact O-N 3.38Å; I170-F189 CarbonylContact C-O 3.54Å; I170-F189 VanDerWaalsContact CA-O 3.31Å; I170-F189 WeakPolarHBondContact CA-O 3.31Å; I170-F189 HydrophobicContact CB-CB 4.29Å; I170-F189 HydrophobicContact CG1-CB 3.74Å; I170-F189 HydrophobicContact CG1-CG 4.45Å; I170-F189 HydrophobicContact CG2-CB 4.24Å; S171-F189 PolarHBondContact N-O 3.49Å; F189-L429 HydrophobicContact CD2-CD1 4.43Å; F189-L429 HydrophobicContact CE2-CD1 3.51Å; F189-L429 HydrophobicContact CZ-CD1 4.27Å; F189-L432 HydrophobicContact CD2-CD2 3.87Å; F189-L432 HydrophobicContact CE1-CG 4.35Å; F189-L432 HydrophobicContact CE2-CD2 3.91Å; F189-L432 HydrophobicContact CE2-CG 4.44Å; F189-L432 HydrophobicContact CG-CD2 4.2Å; F189-L432 HydrophobicContact CZ-CD2 4.21Å; F189-L432 HydrophobicContact CZ-CG 4.25Å; F189-R433 HydrophobicContact CZ-CG 3.7Å; F189-F446 HydrophobicContact CD1-CB 4.09Å; F189-F446 AromaticContact CD1-CD1 3.88Å; F189-F446 HydrophobicContact CD1-CD1 3.88Å; F189-F446 AromaticContact CD1-CD2 3.93Å; F189-F446 HydrophobicContact CD1-CD2 3.93Å; F189-F446 HydrophobicContact CD1-CE1 4.3Å; F189-F446 HydrophobicContact CD1-CE2 4.35Å; F189-F446 AromaticContact CD1-CG 3.68Å; F189-F446 HydrophobicContact CD1-CG 3.68Å; F189-F446 HydrophobicContact CE1-CB 4.06Å; F189-F446 HydrophobicContact CE1-CD2 4.15Å; F189-F446 HydrophobicContact CE1-CG 4.04Å; F189-G450 WeakPolarHBondContact CA-O 3.3Å
190	R	97.3	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.5	171.1	56.3	-179.2	165.8	-164.4	-6.3	112.7	S171 A174 T175 S176 D177 S180 F188 V192 S194 F446 G450 N451 P452	S171-R190 CarbonylContact O-C 3.59Å; S171-R190 WeakPolarHBondContact O-CA 3.4Å; S171-R190 WeakPolarHBondContact O-CB 3.33Å; A174-R190 WeakPolarHBondContact O-CD 3.39Å; T175-R190 VanDerWaalsContact CA-NH1 3.34Å; T175-R190 PolarHBondContact O-NH1 3.37Å; S176-R190 PolarHBondContact O-NH1 2.77Å; D177-R190 IonicContact OD1-NH2 2.71Å; S180-R190 PolarHBondContact OG-NH2 3.44Å; F188-R190 HydrophobicContact CE1-CB 4.09Å; F188-R190 HydrophobicContact CE1-CG 4.16Å; F188-R190 HydrophobicContact CZ-CB 4.13Å; R190-V192 HydrophobicContact CB-CG2 4.33Å; R190-V192 VanDerWaalsContact CD-O 3.26Å; R190-V192 WeakPolarHBondContact CD-O 3.34Å; R190-V192 VanDerWaalsContact CG-O 3.31Å; R190-V192 WeakPolarHBondContact CG-O 3.46Å; R190-S194 VanDerWaalsContact CZ-CA 3.48Å; R190-S194 PolarHBondContact NH2-OG 2.87Å; R190-F446 VanDerWaalsContact O-CE1 3.29Å; R190-F446 WeakPolarHBondContact O-CE1 3.32Å; R190-G450 PolarHBondContact N-O 2.93Å; R190-G450 VanDerWaalsContact N-O 3.07Å; R190-N451 PolarHBondContact NE-OD1 3.05Å; R190-N451 PolarHBondContact NH2-OD1 3.23Å; R190-P452 VanDerWaalsContact O-CD 3.23Å; R190-P452 WeakPolarHBondContact O-CD 3.43Å; R190-P452 WeakPolarHBondContact O-CG 3.43Å
191	T	96.1	Very high	95.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	14%	0.144	C	C	.	.	S	Bend	trans	-104.5	12	176.3	50.4	0	0	0	0	113.2	I170 S171 A392 A396 L444 F446	I170-T191 HydrophobicContact CG2-CG2 3.82Å; S171-T191 PolarHBondContact O-N 3.14Å; T191-A392 WeakPolarHBondContact CB-O 3.45Å; T191-A392 VanDerWaalsContact OG1-C 3.32Å; T191-A392 WeakPolarHBondContact OG1-CB 3.08Å; T191-A392 PolarHBondContact OG1-O 3.48Å; T191-A396 HydrophobicContact CG2-CB 3.93Å; T191-L444 HydrophobicContact CG2-CD2 4.18Å; T191-F446 HydrophobicContact CG2-CE1 4.35Å; T191-F446 HydrophobicContact CG2-CZ 4.29Å
192	V	94.9	Very high	95.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-118.4	150.6	169.8	-70.6	0	0	0	0	109.6	Y172 T175 R190 L329 L389 A392 P452	Y172-V192 VanDerWaalsContact O-CG1 3.25Å; Y172-V192 WeakPolarHBondContact O-CG1 3.41Å; T175-V192 HydrophobicContact CG2-CB 4.08Å; T175-V192 HydrophobicContact CG2-CG2 3.57Å; R190-V192 HydrophobicContact CB-CG2 4.33Å; R190-V192 VanDerWaalsContact CD-O 3.26Å; R190-V192 WeakPolarHBondContact CD-O 3.34Å; R190-V192 VanDerWaalsContact CG-O 3.31Å; R190-V192 WeakPolarHBondContact CG-O 3.46Å; V192-L329 HydrophobicContact CG1-CD1 4.49Å; V192-L389 HydrophobicContact CG1-CD2 4.02Å; V192-A392 HydrophobicContact CG1-CB 3.88Å; V192-P452 VanDerWaalsContact O-CD 3.31Å; V192-P452 WeakPolarHBondContact O-CD 3.29Å; V192-P452 VanDerWaalsContact O-CG 3.26Å; V192-P452 WeakPolarHBondContact O-CG 3.46Å
193	P	94.5	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.			trans	-69.4	160.7	-177.3	-6.9	21	0	0	0	113.2	T175 W197 D327 V454 Y456	T175-P193 WeakPolarHBondContact CG2-O 3.31Å; P193-W197 HydrophobicContact CB-CE3 3.77Å; P193-W197 HydrophobicContact CB-CZ3 4.11Å; P193-D327 WeakPolarHBondContact CD-OD1 3.27Å; P193-D327 HydrophobicContact CG-CB 4.23Å; P193-V454 WeakPolarHBondContact CB-O 3.23Å; P193-V454 HydrophobicContact CG-CB 4.04Å; P193-V454 HydrophobicContact CG-CG1 3.89Å; P193-V454 VanDerWaalsContact CG-O 3.3Å; P193-V454 WeakPolarHBondContact CG-O 3.45Å; P193-Y456 HydrophobicContact CB-CE2 3.76Å; P193-Y456 WeakPolarHBondContact CB-OH 3.47Å; P193-Y456 HydrophobicContact CG-CE1 4.23Å; P193-Y456 HydrophobicContact CG-CE2 4.1Å; P193-Y456 PolarHBondContact O-OH 3.47Å
194	S	95.1	Very high	96.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	8%	0.084	C	C	.	.			trans	-69.6	140.7	175.3	-171.2	0	0	0	0	112.7	D177 R190 K196 W197 Q198 Y456	D177-S194 WeakPolarHBondContact CB-OG 3.21Å; D177-S194 PolarHBondContact OD1-OG 3.43Å; R190-S194 VanDerWaalsContact CZ-CA 3.48Å; R190-S194 PolarHBondContact NH2-OG 2.87Å; S194-K196 PolarHBondContact O-N 3.12Å; S194-K196 VanDerWaalsContact O-N 3.1Å; S194-K196 WeakPolarHBondContact OG-CB 3.5Å; S194-K196 PolarHBondContact OG-N 3.38Å; S194-W197 WeakPolarHBondContact O-CB 3.42Å; S194-W197 PolarHBondContact O-N 2.96Å; S194-Q198 PolarHBondContact O-N 3.22Å; S194-Y456 PolarHBondContact O-OH 3.49Å
195	D	94.9	Very high	96.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.1	-24.1	168.8	-70.5	-23.2	0	0	0	112.2	T175 S176 W197 Q198 V199 Y223 F276	T175-D195 VanDerWaalsContact C-CG 3.45Å; T175-D195 WeakPolarHBondContact CB-OD1 3.37Å; T175-D195 WeakPolarHBondContact O-CB 3.38Å; T175-D195 PolarHBondContact O-N 3.33Å; T175-D195 PolarHBondContact OG1-OD1 3.08Å; T175-D195 PolarHBondContact OG1-OD2 3.17Å; S176-D195 WeakPolarHBondContact CA-OD2 3.49Å; S176-D195 PolarHBondContact N-OD2 3.49Å; D195-W197 VanDerWaalsContact C-N 3.25Å; D195-W197 PolarHBondContact O-N 3.33Å; D195-Q198 PolarHBondContact O-N 2.92Å; D195-V199 WeakPolarHBondContact O-CB 3.39Å; D195-V199 WeakPolarHBondContact O-CG2 3.24Å; D195-V199 PolarHBondContact O-N 3.17Å; D195-Y223 VanDerWaalsContact OD2-CD2 3.28Å; D195-Y223 WeakPolarHBondContact OD2-CD2 3.48Å; D195-Y223 WeakPolarHBondContact OD2-CE2 3.36Å; D195-F276 HydrophobicContact CB-CE1 4.19Å; D195-F276 HydrophobicContact CB-CZ 3.76Å; D195-F276 VanDerWaalsContact CG-CZ 3.48Å; D195-F276 WeakPolarHBondContact OD1-CZ 3.23Å
196	K	94.3	Very high	96.1	Very high	110 Å²	110	13.6 Å²	13.6	48%	0.478	6%	0.064	S	C	.	.	H	α-helix	trans	-53.4	-43.9	171	-177.2	179.8	179.7	176.8	0	112.5	D177 S194 D200 Q230	D177-K196 HydrophobicContact CB-CB 4.09Å; S194-K196 PolarHBondContact O-N 3.12Å; S194-K196 VanDerWaalsContact O-N 3.1Å; S194-K196 WeakPolarHBondContact OG-CB 3.5Å; S194-K196 PolarHBondContact OG-N 3.38Å; K196-D200 WeakPolarHBondContact O-CB 3.48Å; K196-D200 PolarHBondContact O-N 2.95Å; K196-D200 VanDerWaalsContact O-N 3.09Å; K196-Q230 VanDerWaalsContact CA-NE2 3.31Å; K196-Q230 VanDerWaalsContact CB-NE2 3.33Å
197	W	94.6	Very high	95.9	Very high	52 Å²	52	14.8 Å²	14.8	20%	0.197	7%	0.073	C	C	.	.	H	α-helix	trans	-75.6	-36	-179.7	-64.5	-12.2	0	0	0	111.3	P193 S194 D195 D200 A201 N451 P452 V454 Y456 Y477	P193-W197 HydrophobicContact CB-CE3 3.77Å; P193-W197 HydrophobicContact CB-CZ3 4.11Å; S194-W197 WeakPolarHBondContact O-CB 3.42Å; S194-W197 PolarHBondContact O-N 2.96Å; D195-W197 VanDerWaalsContact C-N 3.25Å; D195-W197 PolarHBondContact O-N 3.33Å; W197-D200 PolarHBondContact O-N 3.22Å; W197-A201 WeakPolarHBondContact O-CB 3.12Å; W197-A201 PolarHBondContact O-N 2.93Å; W197-N451 HydrophobicContact CH2-CB 4.4Å; W197-P452 WeakPolarHBondContact CH2-O 3.49Å; W197-P452 WeakPolarHBondContact CZ3-O 3.26Å; W197-V454 VanDerWaalsContact CZ3-O 3.32Å; W197-V454 WeakPolarHBondContact CZ3-O 3.31Å; W197-Y456 HydrophobicContact CB-CE2 4.04Å; W197-Y477 HydrophobicContact CB-CE1 3.83Å; W197-Y477 HydrophobicContact CG-CE1 4.39Å
198	Q	95.6	Very high	95.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-44.7	174.1	-176	166.7	99.5	0	0	111.9	S194 D195 A201 M202 F276 S302 F325 Y456	S194-Q198 PolarHBondContact O-N 3.22Å; D195-Q198 PolarHBondContact O-N 2.92Å; Q198-A201 WeakPolarHBondContact O-CB 3.48Å; Q198-A201 PolarHBondContact O-N 3.27Å; Q198-M202 HydrophobicContact CG-CE 3.66Å; Q198-M202 HydrophobicContact CG-SD 4.22Å; Q198-M202 WeakPolarHBondContact O-CB 3.44Å; Q198-M202 VanDerWaalsContact O-CG 3.27Å; Q198-M202 WeakPolarHBondContact O-CG 3.42Å; Q198-M202 PolarHBondContact O-N 3.47Å; Q198-F276 HydrophobicContact CG-CE2 4.22Å; Q198-F276 VanDerWaalsContact OE1-CZ 3.22Å; Q198-S302 VanDerWaalsContact NE2-N 3.11Å; Q198-S302 PolarHBondContact NE2-OG 2.89Å; Q198-F325 HydrophobicContact CG-CB 4.24Å; Q198-F325 HydrophobicContact CG-CD2 4.35Å; Q198-F325 HydrophobicContact CG-CG 4.41Å; Q198-Y456 HydrophobicContact CB-CE1 4.36Å; Q198-Y456 HydrophobicContact CB-CE2 3.92Å; Q198-Y456 VanDerWaalsContact NE2-CE1 3.33Å
199	V	96.8	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-45.8	176.2	163.1	0	0	0	0	111.2	D195 A201 M202 V203 Q230 F231 V234 F276	D195-V199 WeakPolarHBondContact O-CB 3.39Å; D195-V199 WeakPolarHBondContact O-CG2 3.24Å; D195-V199 PolarHBondContact O-N 3.17Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 2.97Å; V199-M202 WeakPolarHBondContact O-CB 3.37Å; V199-M202 PolarHBondContact O-N 3.47Å; V199-V203 WeakPolarHBondContact O-CG2 3.5Å; V199-V203 PolarHBondContact O-N 3.4Å; V199-Q230 HydrophobicContact CB-CG 4.33Å; V199-Q230 HydrophobicContact CG1-CG 4.21Å; V199-Q230 HydrophobicContact CG2-CB 4.29Å; V199-Q230 HydrophobicContact CG2-CG 4.16Å; V199-F231 HydrophobicContact CG1-CB 4.27Å; V199-F231 HydrophobicContact CG1-CD2 4.37Å; V199-F231 HydrophobicContact CG2-CB 4.2Å; V199-V234 HydrophobicContact CG1-CB 3.8Å; V199-V234 HydrophobicContact CG1-CG1 4.28Å; V199-V234 HydrophobicContact CG1-CG2 3.82Å; V199-F276 HydrophobicContact CG2-CE2 4.21Å
200	D	95.9	Very high	95.2	Very high	38 Å²	38	26.7 Å²	26.7	20%	0.203	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-43.9	176.2	-179.5	66.5	0	0	0	111.2	K196 W197 M202 V203 Q204 Y477	K196-D200 WeakPolarHBondContact O-CB 3.48Å; K196-D200 PolarHBondContact O-N 2.95Å; K196-D200 VanDerWaalsContact O-N 3.09Å; W197-D200 PolarHBondContact O-N 3.22Å; D200-M202 PolarHBondContact O-N 3.42Å; D200-V203 PolarHBondContact O-N 3.02Å; D200-Q204 WeakPolarHBondContact O-CG 3.22Å; D200-Q204 PolarHBondContact O-N 3.38Å; D200-Q204 PolarHBondContact OD2-NE2 3.2Å; D200-Y477 WeakPolarHBondContact OD2-CE2 3.38Å; D200-Y477 PolarHBondContact OD2-OH 3.2Å
201	A	96.3	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-42.4	174.5	0	0	0	0	0	112.6	W197 Q198 V199 Q204 L205 F325 Y477	W197-A201 WeakPolarHBondContact O-CB 3.12Å; W197-A201 PolarHBondContact O-N 2.93Å; Q198-A201 WeakPolarHBondContact O-CB 3.48Å; Q198-A201 PolarHBondContact O-N 3.27Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 2.97Å; A201-Q204 PolarHBondContact O-N 3.05Å; A201-L205 WeakPolarHBondContact O-CB 3.47Å; A201-L205 PolarHBondContact O-N 3.22Å; A201-F325 HydrophobicContact CB-CD1 4.06Å; A201-F325 HydrophobicContact CB-CE1 3.46Å; A201-F325 VanDerWaalsContact CB-CE1 3.46Å; A201-F325 HydrophobicContact CB-CZ 3.74Å; A201-Y477 HydrophobicContact CB-CD1 4.43Å; A201-Y477 HydrophobicContact CB-CD2 3.39Å; A201-Y477 HydrophobicContact CB-CE2 3.73Å; A201-Y477 HydrophobicContact CB-CG 3.75Å
202	M	97.4	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-43.1	175.9	-74.7	171.3	175.3	0	0	111.4	Q198 V199 D200 L205 M206 F231 I274 F276 I299 F325	Q198-M202 HydrophobicContact CG-CE 3.66Å; Q198-M202 HydrophobicContact CG-SD 4.22Å; Q198-M202 WeakPolarHBondContact O-CB 3.44Å; Q198-M202 VanDerWaalsContact O-CG 3.27Å; Q198-M202 WeakPolarHBondContact O-CG 3.42Å; Q198-M202 PolarHBondContact O-N 3.47Å; V199-M202 WeakPolarHBondContact O-CB 3.37Å; V199-M202 PolarHBondContact O-N 3.47Å; D200-M202 PolarHBondContact O-N 3.42Å; M202-L205 WeakPolarHBondContact O-CB 3.46Å; M202-L205 PolarHBondContact O-N 3.24Å; M202-M206 WeakPolarHBondContact O-CG 3.37Å; M202-M206 PolarHBondContact O-N 3.24Å; M202-M206 VanDerWaalsContact O-N 3.13Å; M202-F231 HydrophobicContact CB-CD2 4.24Å; M202-F231 HydrophobicContact CB-CE2 4Å; M202-I274 HydrophobicContact CE-CG2 4.3Å; M202-I274 HydrophobicContact SD-CG2 3.75Å; M202-F276 HydrophobicContact CE-CD2 4.06Å; M202-F276 HydrophobicContact CE-CE2 3.98Å; M202-F276 HydrophobicContact SD-CD2 4.15Å; M202-F276 HydrophobicContact SD-CE2 4.09Å; M202-I299 HydrophobicContact CE-CG2 4.25Å; M202-I299 HydrophobicContact CG-CG2 4.08Å; M202-F325 HydrophobicContact CB-CE2 4.26Å; M202-F325 HydrophobicContact CE-CD2 4.04Å; M202-F325 HydrophobicContact CE-CE2 4.5Å; M202-F325 HydrophobicContact CG-CD2 3.84Å; M202-F325 HydrophobicContact CG-CE2 3.4Å; M202-F325 VanDerWaalsContact CG-CE2 3.4Å; M202-F325 HydrophobicContact CG-CZ 4.32Å
203	V	96.8	Very high	95	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-71.9	-38.3	179.7	175.5	0	0	0	0	111.6	V199 D200 L205 M206 S207 F231 V234 A235 K238	V199-V203 WeakPolarHBondContact O-CG2 3.5Å; V199-V203 PolarHBondContact O-N 3.4Å; D200-V203 PolarHBondContact O-N 3.02Å; V203-L205 VanDerWaalsContact C-N 3.27Å; V203-L205 PolarHBondContact O-N 3.15Å; V203-M206 WeakPolarHBondContact O-CB 3.48Å; V203-M206 PolarHBondContact O-N 3.03Å; V203-M206 VanDerWaalsContact O-N 3.13Å; V203-S207 PolarHBondContact O-N 3.28Å; V203-S207 VanDerWaalsContact O-N 3.11Å; V203-S207 PolarHBondContact O-OG 2.94Å; V203-F231 HydrophobicContact CG2-CD2 4Å; V203-F231 HydrophobicContact CG2-CE2 3.69Å; V203-F231 HydrophobicContact CG2-CZ 4.39Å; V203-V234 HydrophobicContact CB-CG1 4.18Å; V203-V234 HydrophobicContact CG1-CG1 4.34Å; V203-V234 HydrophobicContact CG2-CB 4.27Å; V203-V234 HydrophobicContact CG2-CG1 3.92Å; V203-A235 HydrophobicContact CG2-CB 4.32Å; V203-K238 HydrophobicContact CG1-CB 3.49Å; V203-K238 VanDerWaalsContact CG1-CB 3.49Å; V203-K238 HydrophobicContact CG1-CG 3.63Å
204	Q	95.9	Very high	95.1	Very high	40 Å²	40	29.9 Å²	29.9	19%	0.187	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-41.4	171.1	-71.4	-174	41.9	0	0	111.1	D200 A201 M206 S207 E208 N480 L482	D200-Q204 WeakPolarHBondContact O-CG 3.22Å; D200-Q204 PolarHBondContact O-N 3.38Å; D200-Q204 PolarHBondContact OD2-NE2 3.2Å; A201-Q204 PolarHBondContact O-N 3.05Å; Q204-M206 VanDerWaalsContact C-N 3.3Å; Q204-M206 PolarHBondContact O-N 3.23Å; Q204-S207 WeakPolarHBondContact O-CB 3.13Å; Q204-S207 PolarHBondContact O-N 3.46Å; Q204-S207 VanDerWaalsContact O-N 3.14Å; Q204-E208 WeakPolarHBondContact O-CG 3.43Å; Q204-E208 PolarHBondContact O-N 3.18Å; Q204-N480 PolarHBondContact NE2-O 3.11Å; Q204-N480 VanDerWaalsContact NE2-O 3.09Å; Q204-L482 HydrophobicContact CB-CB 3.94Å; Q204-L482 HydrophobicContact CB-CD2 4.15Å
205	L	96.1	Very high	95.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-38.9	174.6	-175	68.2	0	0	0	112.4	A201 M202 V203 E208 F209 I299 M323 F325 L458 L482 I484	A201-L205 WeakPolarHBondContact O-CB 3.47Å; A201-L205 PolarHBondContact O-N 3.22Å; M202-L205 WeakPolarHBondContact O-CB 3.46Å; M202-L205 PolarHBondContact O-N 3.24Å; V203-L205 VanDerWaalsContact C-N 3.27Å; V203-L205 PolarHBondContact O-N 3.15Å; L205-E208 PolarHBondContact O-N 3.49Å; L205-F209 HydrophobicContact CD1-CD2 3.98Å; L205-F209 HydrophobicContact CD1-CE2 3.6Å; L205-F209 HydrophobicContact CG-CD2 4.35Å; L205-F209 HydrophobicContact CG-CE2 4.38Å; L205-F209 WeakPolarHBondContact O-CD2 3.46Å; L205-F209 PolarHBondContact O-N 3.1Å; L205-I299 HydrophobicContact CD2-CD1 4.18Å; L205-M323 HydrophobicContact CD2-SD 4Å; L205-F325 HydrophobicContact CD2-CE2 4.42Å; L205-F325 HydrophobicContact CD2-CZ 4.28Å; L205-L458 HydrophobicContact CD1-CD2 3.7Å; L205-L458 HydrophobicContact CD2-CD1 4.27Å; L205-L458 HydrophobicContact CD2-CD2 4.36Å; L205-L482 HydrophobicContact CB-CD2 3.8Å; L205-L482 HydrophobicContact CD1-CD2 4.13Å; L205-I484 HydrophobicContact CD1-CG2 4.29Å
206	M	95.7	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-43.4	174.8	-57.7	-59.8	143.8	0	0	111.6	M202 V203 Q204 F209 N210 W211 V214 V240 V272 I274 I299	M202-M206 WeakPolarHBondContact O-CG 3.37Å; M202-M206 PolarHBondContact O-N 3.24Å; M202-M206 VanDerWaalsContact O-N 3.13Å; V203-M206 WeakPolarHBondContact O-CB 3.48Å; V203-M206 PolarHBondContact O-N 3.03Å; V203-M206 VanDerWaalsContact O-N 3.13Å; Q204-M206 VanDerWaalsContact C-N 3.3Å; Q204-M206 PolarHBondContact O-N 3.23Å; M206-F209 PolarHBondContact O-N 3.32Å; M206-N210 PolarHBondContact O-N 2.71Å; M206-N210 VanDerWaalsContact O-N 3.09Å; M206-W211 HydrophobicContact CB-CB 4.32Å; M206-W211 HydrophobicContact CE-CE3 4.4Å; M206-W211 PolarHBondContact O-N 3.3Å; M206-W211 HydrophobicContact SD-CB 4.07Å; M206-W211 HydrophobicContact SD-CD2 4.46Å; M206-W211 HydrophobicContact SD-CE3 3.62Å; M206-W211 HydrophobicContact SD-CZ3 4.45Å; M206-V214 HydrophobicContact SD-CG1 3.85Å; M206-V240 HydrophobicContact CB-CG1 4.47Å; M206-V240 HydrophobicContact CB-CG2 3.94Å; M206-V240 HydrophobicContact CG-CG1 4.41Å; M206-V272 HydrophobicContact CE-CG1 3.98Å; M206-V272 HydrophobicContact SD-CG1 3.91Å; M206-I274 HydrophobicContact CE-CD1 3.85Å; M206-I274 HydrophobicContact CE-CG1 3.91Å; M206-I299 HydrophobicContact CE-CG1 3.85Å
207	S	92.6	Very high	95.6	Very high	54 Å²	54	24.6 Å²	24.6	38%	0.378	13%	0.126	S	C	.	.	H	α-helix	trans	-63.5	-40.7	178.3	-58.7	0	0	0	0	112.3	V203 Q204 F209 N210	V203-S207 PolarHBondContact O-N 3.28Å; V203-S207 VanDerWaalsContact O-N 3.11Å; V203-S207 PolarHBondContact O-OG 2.94Å; Q204-S207 WeakPolarHBondContact O-CB 3.13Å; Q204-S207 PolarHBondContact O-N 3.46Å; Q204-S207 VanDerWaalsContact O-N 3.14Å; S207-F209 VanDerWaalsContact C-N 3.27Å; S207-F209 PolarHBondContact O-N 3.41Å; S207-N210 PolarHBondContact O-N 3.27Å
208	E	92.9	Very high	95.8	Very high	109 Å²	109	22.1 Å²	22.1	51%	0.509	12%	0.116	S	C	.	.	H	α-helix	trans	-60.6	-34.6	178.6	-71	-64.4	149.9	0	0	113.1	Q204 L205 I484	Q204-E208 WeakPolarHBondContact O-CG 3.43Å; Q204-E208 PolarHBondContact O-N 3.18Å; L205-E208 PolarHBondContact O-N 3.49Å; E208-I484 HydrophobicContact CB-CD1 3.53Å; E208-I484 HydrophobicContact CG-CD1 3.61Å; E208-I484 HydrophobicContact CG-CG1 4.22Å
209	F	92.9	Very high	95.8	Very high	27 Å²	27	22.1 Å²	22.1	12%	0.118	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	9.3	179.5	-66.6	-61.3	0	0	0	114.3	L205 M206 S207 W211 I484 F489 W491 V498	L205-F209 HydrophobicContact CD1-CD2 3.98Å; L205-F209 HydrophobicContact CD1-CE2 3.6Å; L205-F209 HydrophobicContact CG-CD2 4.35Å; L205-F209 HydrophobicContact CG-CE2 4.38Å; L205-F209 WeakPolarHBondContact O-CD2 3.46Å; L205-F209 PolarHBondContact O-N 3.1Å; M206-F209 PolarHBondContact O-N 3.32Å; S207-F209 VanDerWaalsContact C-N 3.27Å; S207-F209 PolarHBondContact O-N 3.41Å; F209-W211 HydrophobicContact CB-CD2 3.63Å; F209-W211 HydrophobicContact CB-CE3 3.99Å; F209-W211 HydrophobicContact CB-CG 4.12Å; F209-W211 HydrophobicContact CB-CH2 4.23Å; F209-W211 HydrophobicContact CB-CZ2 3.87Å; F209-W211 HydrophobicContact CB-CZ3 4.28Å; F209-W211 HydrophobicContact CD2-CE3 4.26Å; F209-W211 AromaticContact CD2-CH2 3.72Å; F209-W211 HydrophobicContact CD2-CH2 3.72Å; F209-W211 HydrophobicContact CD2-CZ2 4.13Å; F209-W211 AromaticContact CD2-CZ3 3.79Å; F209-W211 HydrophobicContact CD2-CZ3 3.79Å; F209-W211 HydrophobicContact CE2-CH2 4.38Å; F209-W211 HydrophobicContact CG-CH2 4.14Å; F209-W211 HydrophobicContact CG-CZ2 4.06Å; F209-W211 HydrophobicContact CG-CZ3 4.39Å; F209-W211 PolarHBondContact O-N 3.44Å; F209-I484 HydrophobicContact CE2-CD1 4.48Å; F209-I484 HydrophobicContact CZ-CD1 4.27Å; F209-F489 HydrophobicContact CE2-CE1 4.13Å; F209-F489 HydrophobicContact CE2-CE2 4.44Å; F209-F489 HydrophobicContact CE2-CZ 4.02Å; F209-F489 HydrophobicContact CZ-CD1 4.25Å; F209-F489 HydrophobicContact CZ-CD2 4Å; F209-F489 HydrophobicContact CZ-CE1 4.08Å; F209-F489 AromaticContact CZ-CE2 3.82Å; F209-F489 HydrophobicContact CZ-CE2 3.82Å; F209-F489 HydrophobicContact CZ-CG 4.2Å; F209-F489 AromaticContact CZ-CZ 3.85Å; F209-F489 HydrophobicContact CZ-CZ 3.85Å; F209-W491 HydrophobicContact CD1-CH2 4.4Å; F209-W491 HydrophobicContact CD1-CZ2 4.11Å; F209-W491 HydrophobicContact CD2-CH2 4.31Å; F209-W491 HydrophobicContact CE1-CH2 4.18Å; F209-W491 AromaticContact CE1-CZ2 3.61Å; F209-W491 HydrophobicContact CE1-CZ2 3.61Å; F209-W491 HydrophobicContact CE2-CH2 4.05Å; F209-W491 HydrophobicContact CE2-CZ2 4.2Å; F209-W491 HydrophobicContact CG-CH2 4.48Å; F209-W491 AromaticContact CZ-CH2 3.99Å; F209-W491 HydrophobicContact CZ-CH2 3.99Å; F209-W491 AromaticContact CZ-CZ2 3.66Å; F209-W491 HydrophobicContact CZ-CZ2 3.66Å; F209-V498 HydrophobicContact CB-CG1 4.05Å; F209-V498 HydrophobicContact CD1-CG1 3.85Å; F209-V498 HydrophobicContact CD1-CG2 4.04Å; F209-V498 HydrophobicContact CE1-CG2 4.24Å; F209-V498 HydrophobicContact CG-CG1 4.18Å
210	N	92	Very high	95.7	Very high	126 Å²	126	26.2 Å²	26.2	67%	0.674	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.9	-176.3	-61.6	-48	0	0	0	113.8	M206 S207	M206-N210 PolarHBondContact O-N 2.71Å; M206-N210 VanDerWaalsContact O-N 3.09Å; S207-N210 PolarHBondContact O-N 3.27Å
211	W	94.8	Very high	95.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	13%	0.127	C	C	.	.			trans	-83.5	113.9	174.6	-63.8	-29	0	0	0	110.1	M206 F209 V272 V297 I299 M323 W491 V498 P499	M206-W211 HydrophobicContact CB-CB 4.32Å; M206-W211 HydrophobicContact CE-CE3 4.4Å; M206-W211 PolarHBondContact O-N 3.3Å; M206-W211 HydrophobicContact SD-CB 4.07Å; M206-W211 HydrophobicContact SD-CD2 4.46Å; M206-W211 HydrophobicContact SD-CE3 3.62Å; M206-W211 HydrophobicContact SD-CZ3 4.45Å; F209-W211 HydrophobicContact CB-CD2 3.63Å; F209-W211 HydrophobicContact CB-CE3 3.99Å; F209-W211 HydrophobicContact CB-CG 4.12Å; F209-W211 HydrophobicContact CB-CH2 4.23Å; F209-W211 HydrophobicContact CB-CZ2 3.87Å; F209-W211 HydrophobicContact CB-CZ3 4.28Å; F209-W211 HydrophobicContact CD2-CE3 4.26Å; F209-W211 AromaticContact CD2-CH2 3.72Å; F209-W211 HydrophobicContact CD2-CH2 3.72Å; F209-W211 HydrophobicContact CD2-CZ2 4.13Å; F209-W211 AromaticContact CD2-CZ3 3.79Å; F209-W211 HydrophobicContact CD2-CZ3 3.79Å; F209-W211 HydrophobicContact CE2-CH2 4.38Å; F209-W211 HydrophobicContact CG-CH2 4.14Å; F209-W211 HydrophobicContact CG-CZ2 4.06Å; F209-W211 HydrophobicContact CG-CZ3 4.39Å; F209-W211 PolarHBondContact O-N 3.44Å; W211-V272 HydrophobicContact CD2-CG1 4.44Å; W211-V272 HydrophobicContact CD2-CG2 3.58Å; W211-V272 HydrophobicContact CE3-CG1 3.98Å; W211-V272 HydrophobicContact CE3-CG2 3.93Å; W211-V272 HydrophobicContact CG-CG2 3.87Å; W211-V272 HydrophobicContact CH2-CG2 4.42Å; W211-V272 HydrophobicContact CZ2-CG2 4.13Å; W211-V272 HydrophobicContact CZ3-CG1 4.21Å; W211-V272 HydrophobicContact CZ3-CG2 4.33Å; W211-V297 HydrophobicContact CH2-CG1 3.97Å; W211-I299 HydrophobicContact CZ3-CD1 4.39Å; W211-M323 HydrophobicContact CH2-CE 4.35Å; W211-W491 AromaticContact CH2-CH2 3.59Å; W211-W491 HydrophobicContact CH2-CH2 3.59Å; W211-W491 AromaticContact CH2-CZ3 3.79Å; W211-W491 HydrophobicContact CH2-CZ3 3.79Å; W211-W491 AromaticContact CZ2-CH2 3.62Å; W211-W491 HydrophobicContact CZ2-CH2 3.62Å; W211-W491 AromaticContact CZ2-CZ3 3.72Å; W211-W491 HydrophobicContact CZ2-CZ3 3.72Å; W211-V498 HydrophobicContact CZ2-CG1 3.88Å; W211-P499 HydrophobicContact CZ2-CG 4.48Å; W211-P499 PolarHBondContact NE1-O 3.3Å
212	T	93.9	Very high	95.5	Very high	42 Å²	42	26.5 Å²	26.5	26%	0.258	14%	0.135	S	C	.	.			trans	-117.2	-4.2	-176.9	61.2	0	0	0	0	113.3	C241 S501 C521	T212-C241 WeakPolarHBondContact O-CA 3.36Å; T212-C241 WeakPolarHBondContact O-CB 3.43Å; T212-C241 PolarHBondContact O-N 2.96Å; T212-S501 PolarHBondContact N-O 3.29Å; T212-C521 PolarHBondContact O-SG 2.74Å; T212-C521 VanDerWaalsContact O-SG 3.37Å
213	W	95.7	Very high	95.5	Very high	25 Å²	25	27 Å²	27	10%	0.095	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	106.7	-178.9	-169.8	-118	0	0	0	110.2	C241 A243 T268 V270 S501 C503 H519 C522	W213-C241 HydrophobicContact CE3-CB 3.78Å; W213-C241 HydrophobicContact CZ3-CB 3.9Å; W213-A243 HydrophobicContact CD2-CB 3.77Å; W213-A243 HydrophobicContact CE3-CB 4.08Å; W213-A243 HydrophobicContact CH2-CB 3.56Å; W213-A243 HydrophobicContact CZ2-CB 3.21Å; W213-A243 HydrophobicContact CZ3-CB 3.97Å; W213-T268 PolarHBondContact NE1-O 3.29Å; W213-V270 HydrophobicContact CG-CG1 4.25Å; W213-S501 WeakPolarHBondContact CB-O 3.39Å; W213-S501 PolarHBondContact N-O 3.09Å; W213-S501 WeakPolarHBondContact O-CB 3.25Å; W213-S501 PolarHBondContact O-OG 2.83Å; W213-C503 HydrophobicContact CB-CB 4.37Å; W213-C503 HydrophobicContact CD2-CB 3.65Å; W213-C503 HydrophobicContact CE3-CB 3.72Å; W213-C503 HydrophobicContact CG-CB 3.97Å; W213-C503 HydrophobicContact CZ3-CB 4.23Å; W213-H519 AromaticContact CH2-CD2 3.74Å; W213-H519 HydrophobicContact CZ3-CB 3.99Å; W213-H519 AromaticContact CZ3-CD2 3.87Å; W213-H519 AromaticContact CZ3-CG 3.82Å; W213-C522 VanDerWaalsContact CH2-SG 3.58Å; W213-C522 VanDerWaalsContact CZ3-SG 3.5Å
214	V	97.5	Very high	95.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.3	-170.7	-55.3	0	0	0	0	111.9	M206 F231 V240 C241 V242 A243 V272 I274	M206-V214 HydrophobicContact SD-CG1 3.85Å; V214-F231 HydrophobicContact CG2-CE1 3.87Å; V214-F231 HydrophobicContact CG2-CZ 4.12Å; V214-V240 HydrophobicContact CG1-CG1 4.2Å; V214-V240 HydrophobicContact CG2-CG1 3.9Å; V214-C241 PolarHBondContact N-O 2.92Å; V214-C241 VanDerWaalsContact N-O 3.09Å; V214-V242 HydrophobicContact CG2-CG2 4.31Å; V214-V242 CarbonylContact O-C 3.52Å; V214-V242 WeakPolarHBondContact O-CA 3.49Å; V214-A243 WeakPolarHBondContact O-CB 3.27Å; V214-A243 PolarHBondContact O-N 3.31Å; V214-V272 WeakPolarHBondContact CA-O 3.25Å; V214-V272 HydrophobicContact CG1-CB 4.15Å; V214-V272 HydrophobicContact CG1-CG1 4.28Å; V214-I274 HydrophobicContact CB-CD1 3.83Å; V214-I274 HydrophobicContact CG1-CD1 4.37Å; V214-I274 HydrophobicContact CG2-CD1 3.92Å
215	A	98	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.8	163.7	0	0	0	0	0	110.8	Y244 I265 V270 V272 V273 I274	A215-Y244 WeakPolarHBondContact CA-O 3.4Å; A215-I265 HydrophobicContact CB-CG1 4.43Å; A215-V270 HydrophobicContact CB-CG2 3.84Å; A215-V272 PolarHBondContact N-O 2.86Å; A215-V272 VanDerWaalsContact N-O 3.16Å; A215-V273 HydrophobicContact CB-CG1 4.33Å; A215-V273 HydrophobicContact CB-CG2 4.38Å; A215-V273 CarbonylContact O-C 3.47Å; A215-V273 WeakPolarHBondContact O-CA 3.49Å; A215-I274 WeakPolarHBondContact O-CD1 3.29Å; A215-I274 PolarHBondContact O-N 3.18Å
216	V	98.3	Very high	95.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.3	174.5	62.3	0	0	0	0	110	V228 F231 V242 Y244 Q245 G246 I274	V216-V228 HydrophobicContact CG1-CG1 4.04Å; V216-V228 HydrophobicContact CG2-CB 4.45Å; V216-V228 HydrophobicContact CG2-CG2 4.02Å; V216-F231 HydrophobicContact CB-CD1 3.83Å; V216-F231 HydrophobicContact CB-CE1 4.25Å; V216-F231 HydrophobicContact CG1-CD1 4.09Å; V216-F231 HydrophobicContact CG2-CB 4.3Å; V216-F231 HydrophobicContact CG2-CD1 3.92Å; V216-F231 HydrophobicContact CG2-CG 4.25Å; V216-V242 HydrophobicContact CG1-CG1 3.75Å; V216-Y244 PolarHBondContact N-O 3.09Å; V216-Q245 HydrophobicContact CG1-CB 4.47Å; V216-Q245 HydrophobicContact CG1-CG 3.82Å; V216-Q245 WeakPolarHBondContact O-CA 3.31Å; V216-G246 PolarHBondContact O-N 3.47Å; V216-I274 CarbonylContact C-O 3.52Å; V216-I274 WeakPolarHBondContact CA-O 3.44Å; V216-I274 HydrophobicContact CB-CB 4.24Å; V216-I274 HydrophobicContact CG2-CB 3.98Å; V216-I274 HydrophobicContact CG2-CG2 4.06Å
217	I	98.4	Very high	95.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.1	-177.7	-49.4	-56.4	0	0	0	108.1	Y244 G246 I248 I261 I265 V273 I274 V275 F276	I217-Y244 HydrophobicContact CD1-CD1 3.88Å; I217-Y244 HydrophobicContact CD1-CE1 3.79Å; I217-G246 CarbonylContact C-O 3.59Å; I217-G246 VanDerWaalsContact CA-O 3.28Å; I217-G246 WeakPolarHBondContact CA-O 3.43Å; I217-I248 HydrophobicContact CG2-CD1 3.79Å; I217-I248 HydrophobicContact CG2-CG1 3.9Å; I217-I261 HydrophobicContact CD1-CG2 3.45Å; I217-I261 VanDerWaalsContact CD1-CG2 3.45Å; I217-I261 HydrophobicContact CG1-CG2 4.02Å; I217-I261 HydrophobicContact CG2-CD1 4.2Å; I217-I261 HydrophobicContact CG2-CG2 4.33Å; I217-I265 HydrophobicContact CD1-CD1 4.38Å; I217-I265 HydrophobicContact CG1-CD1 4.42Å; I217-V273 HydrophobicContact CG1-CG1 3.79Å; I217-I274 PolarHBondContact N-O 3.43Å; I217-V275 CarbonylContact O-C 3.41Å; I217-V275 WeakPolarHBondContact O-CA 3.41Å; I217-F276 PolarHBondContact O-N 3.11Å
218	G	97.9	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	168.2	175.5	0	0	0	0	0	113.3	G246 L247 I248 F276	G218-G246 PolarHBondContact N-O 3.1Å; G218-L247 CarbonylContact O-C 3.59Å; G218-L247 VanDerWaalsContact O-CA 3.31Å; G218-L247 WeakPolarHBondContact O-CA 3.34Å; G218-I248 PolarHBondContact O-N 3.49Å; G218-F276 WeakPolarHBondContact CA-O 3.43Å
219	S	96.8	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	150.5	161.8	36.5	0	0	0	0	110.4	E221 G224 Q225 F276 A277 L278	S219-E221 PolarHBondContact O-N 3.17Å; S219-E221 PolarHBondContact OG-OE1 3.28Å; S219-G224 CarbonylContact O-C 3.6Å; S219-G224 VanDerWaalsContact O-C 3.28Å; S219-G224 VanDerWaalsContact O-CA 3.29Å; S219-G224 WeakPolarHBondContact O-CA 3.34Å; S219-Q225 PolarHBondContact O-N 3.35Å; S219-Q225 VanDerWaalsContact O-N 3.12Å; S219-F276 PolarHBondContact N-O 3.2Å; S219-A277 WeakPolarHBondContact OG-CA 3.5Å; S219-L278 PolarHBondContact OG-N 3.36Å
220	E	94.7	Very high	96	Very high	86 Å²	86	27.9 Å²	27.9	40%	0.402	14%	0.139	S	C	.	.	S	Bend	trans	-67	-22.6	-177.5	-177.9	178.5	-141.6	0	0	113.9	I248 P249 V250	E220-I248 WeakPolarHBondContact CB-O 3.44Å; E220-I248 PolarHBondContact N-O 3.09Å; E220-P249 WeakPolarHBondContact OE2-CA 3.33Å; E220-V250 HydrophobicContact CB-CG2 4.47Å
221	E	93.4	Very high	96.2	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.028	11%	0.106	C	C	.	.	S	Bend	trans	-71.1	173.4	177.9	59.2	67.4	-128.9	0	0	113.6	E153 S219 Y223 G224 Q225 V250 L278	E153-E221 HydrophobicContact CB-CB 4.46Å; E153-E221 HydrophobicContact CG-CB 4.45Å; S219-E221 PolarHBondContact O-N 3.17Å; S219-E221 PolarHBondContact OG-OE1 3.28Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; E221-Y223 PolarHBondContact O-N 2.57Å; E221-Y223 WeakPolarHBondContact OE1-CB 3.09Å; E221-Y223 PolarHBondContact OE1-N 2.69Å; E221-Y223 WeakPolarHBondContact OE2-CB 3.48Å; E221-Y223 PolarHBondContact OE2-N 2.9Å; E221-G224 PolarHBondContact O-N 3.08Å; E221-G224 PolarHBondContact OE1-N 2.98Å; E221-Q225 WeakPolarHBondContact O-CB 3.14Å; E221-Q225 PolarHBondContact O-N 3.16Å; E221-V250 HydrophobicContact CB-CG2 4.44Å; E221-V250 HydrophobicContact CG-CG2 4.06Å; E221-L278 HydrophobicContact CG-CD1 3.69Å; E221-L278 HydrophobicContact CG-CG 4.29Å
222	E	94.7	Very high	96.2	Very high	37 Å²	37	22.1 Å²	22.1	17%	0.173	11%	0.108	C	C	.	.	H	α-helix	trans	-49.6	-44.9	-171.2	-177.9	76.5	-136.6	0	0	114.4	E153 S156 K178 F179 S226	E153-E222 HydrophobicContact CB-CB 4.29Å; S156-E222 VanDerWaalsContact OG-CD 3.27Å; S156-E222 PolarHBondContact OG-OE2 2.75Å; K178-E222 WeakPolarHBondContact CD-OE1 3.36Å; K178-E222 IonicContact NZ-OE1 3.11Å; K178-E222 PolarHBondContact NZ-OE1 3.45Å; K178-E222 IonicContact NZ-OE2 3.94Å; K178-E222 PolarHBondContact NZ-OE2 3.26Å; F179-E222 HydrophobicContact CZ-CG 4.39Å; E222-S226 WeakPolarHBondContact O-CB 3.46Å; E222-S226 PolarHBondContact O-N 3.29Å
223	Y	95.8	Very high	96.3	Very high	10 Å²	10	27.3 Å²	27.3	4%	0.039	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-54	-178.7	162	-100.2	0	0	0	111.4	T175 D195 E221 S226 G227 F276 L278 S301 S303	T175-Y223 WeakPolarHBondContact OG1-CD2 3.42Å; T175-Y223 WeakPolarHBondContact OG1-CE2 3.31Å; D195-Y223 VanDerWaalsContact OD2-CD2 3.28Å; D195-Y223 WeakPolarHBondContact OD2-CD2 3.48Å; D195-Y223 WeakPolarHBondContact OD2-CE2 3.36Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; E221-Y223 PolarHBondContact O-N 2.57Å; E221-Y223 WeakPolarHBondContact OE1-CB 3.09Å; E221-Y223 PolarHBondContact OE1-N 2.69Å; E221-Y223 WeakPolarHBondContact OE2-CB 3.48Å; E221-Y223 PolarHBondContact OE2-N 2.9Å; Y223-S226 PolarHBondContact O-N 3.37Å; Y223-G227 PolarHBondContact O-N 3.36Å; Y223-F276 HydrophobicContact CD1-CD1 4.42Å; Y223-F276 HydrophobicContact CD2-CD1 4.39Å; Y223-F276 AromaticContact CD2-CE1 3.89Å; Y223-F276 HydrophobicContact CD2-CE1 3.89Å; Y223-F276 AromaticContact CE1-CD1 3.91Å; Y223-F276 HydrophobicContact CE1-CD1 3.91Å; Y223-F276 HydrophobicContact CE1-CE1 4.17Å; Y223-F276 AromaticContact CE2-CD1 3.91Å; Y223-F276 HydrophobicContact CE2-CD1 3.91Å; Y223-F276 AromaticContact CE2-CE1 3.3Å; Y223-F276 HydrophobicContact CE2-CE1 3.3Å; Y223-F276 HydrophobicContact CE2-CZ 4.15Å; Y223-F276 AromaticContact CZ-CD1 3.64Å; Y223-F276 AromaticContact CZ-CE1 3.46Å; Y223-F276 VanDerWaalsContact CZ-CE1 3.46Å; Y223-L278 HydrophobicContact CD1-CD2 3.94Å; Y223-L278 HydrophobicContact CD1-CG 4.49Å; Y223-L278 HydrophobicContact CE1-CD2 4.47Å; Y223-S301 WeakPolarHBondContact OH-CB 3.39Å; Y223-S301 PolarHBondContact OH-OG 3.08Å; Y223-S303 WeakPolarHBondContact OH-CB 3.37Å; Y223-S303 PolarHBondContact OH-OG 3.34Å
224	G	96.3	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.8	-41.4	-177	0	0	0	0	0	113.5	S219 E221 G227 V228 F276	S219-G224 CarbonylContact O-C 3.6Å; S219-G224 VanDerWaalsContact O-C 3.28Å; S219-G224 VanDerWaalsContact O-CA 3.29Å; S219-G224 WeakPolarHBondContact O-CA 3.34Å; E221-G224 PolarHBondContact O-N 3.08Å; E221-G224 PolarHBondContact OE1-N 2.98Å; G224-G227 PolarHBondContact O-N 3.48Å; G224-V228 VanDerWaalsContact O-CG2 3.27Å; G224-V228 WeakPolarHBondContact O-CG2 3.49Å; G224-V228 PolarHBondContact O-N 3.41Å; G224-F276 WeakPolarHBondContact CA-O 3.4Å
225	Q	95.9	Very high	96.1	Very high	81 Å²	81	27.8 Å²	27.8	38%	0.379	13%	0.133	S	C	.	.	H	α-helix	trans	-64.3	-45.2	177.3	-173.2	179.6	42.9	0	0	111.5	S219 E221 V228 Q229 L247	S219-Q225 PolarHBondContact O-N 3.35Å; S219-Q225 VanDerWaalsContact O-N 3.12Å; E221-Q225 WeakPolarHBondContact O-CB 3.14Å; E221-Q225 PolarHBondContact O-N 3.16Å; Q225-V228 PolarHBondContact O-N 3Å; Q225-Q229 WeakPolarHBondContact O-CG 3.37Å; Q225-Q229 PolarHBondContact O-N 3.42Å; Q225-Q229 VanDerWaalsContact O-N 3.12Å; Q225-L247 HydrophobicContact CG-CD1 4.43Å
226	S	95.6	Very high	95.6	Very high	21 Å²	21	34.3 Å²	34.3	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-43	178.1	-173.7	0	0	0	0	111.3	S176 E222 Y223 Q229 Q230	S176-S226 PolarHBondContact OG-OG 3.35Å; E222-S226 WeakPolarHBondContact O-CB 3.46Å; E222-S226 PolarHBondContact O-N 3.29Å; Y223-S226 PolarHBondContact O-N 3.37Å; S226-Q229 PolarHBondContact O-N 3.25Å; S226-Q230 VanDerWaalsContact O-CB 3.24Å; S226-Q230 WeakPolarHBondContact O-CB 3.38Å; S226-Q230 PolarHBondContact O-N 3.48Å
227	G	96.1	Very high	95.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-44.4	176.9	0	0	0	0	0	113.6	Y223 G224 Q229 Q230 F231	Y223-G227 PolarHBondContact O-N 3.36Å; G224-G227 PolarHBondContact O-N 3.48Å; G227-Q229 PolarHBondContact O-N 3.37Å; G227-Q230 PolarHBondContact O-N 3Å; G227-F231 VanDerWaalsContact O-CB 3.25Å; G227-F231 WeakPolarHBondContact O-CB 3.21Å; G227-F231 PolarHBondContact O-N 3.25Å
228	V	97.5	Very high	94.6	Very high	5 Å²	5	46 Å²	46	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-47.5	175.6	165.8	0	0	0	0	111.4	V216 G224 Q225 S232 Q245 L247	V216-V228 HydrophobicContact CG1-CG1 4.04Å; V216-V228 HydrophobicContact CG2-CB 4.45Å; V216-V228 HydrophobicContact CG2-CG2 4.02Å; G224-V228 VanDerWaalsContact O-CG2 3.27Å; G224-V228 WeakPolarHBondContact O-CG2 3.49Å; G224-V228 PolarHBondContact O-N 3.41Å; Q225-V228 PolarHBondContact O-N 3Å; V228-S232 WeakPolarHBondContact O-CB 3.04Å; V228-S232 PolarHBondContact O-N 2.92Å; V228-S232 PolarHBondContact O-OG 3.01Å; V228-Q245 HydrophobicContact CG1-CB 4.2Å; V228-Q245 HydrophobicContact CG1-CG 4.28Å; V228-L247 HydrophobicContact CB-CD2 4.46Å; V228-L247 HydrophobicContact CG2-CD2 4.01Å
229	Q	96.3	Very high	94.1	Very high	113 Å²	113	50.1 Å²	50.1	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-66.3	-44.7	-179.5	-71.4	176.8	0.8	0	0	111.6	Q225 S226 G227 S232 K233	Q225-Q229 WeakPolarHBondContact O-CG 3.37Å; Q225-Q229 PolarHBondContact O-N 3.42Å; Q225-Q229 VanDerWaalsContact O-N 3.12Å; S226-Q229 PolarHBondContact O-N 3.25Å; G227-Q229 PolarHBondContact O-N 3.37Å; Q229-S232 PolarHBondContact O-N 3.29Å; Q229-K233 WeakPolarHBondContact O-CB 3.07Å; Q229-K233 PolarHBondContact O-N 2.91Å
230	Q	95.8	Very high	94	Very high	32 Å²	32	50.3 Å²	50.3	15%	0.15	25%	0.25	C	S	.	.	H	α-helix	trans	-65.8	-44.3	-179.8	-171.6	166.9	31.4	0	0	111.3	D177 K196 V199 S226 G227 S232 K233 V234	D177-Q230 PolarHBondContact OD2-NE2 3.4Å; K196-Q230 VanDerWaalsContact CA-NE2 3.31Å; K196-Q230 VanDerWaalsContact CB-NE2 3.33Å; V199-Q230 HydrophobicContact CB-CG 4.33Å; V199-Q230 HydrophobicContact CG1-CG 4.21Å; V199-Q230 HydrophobicContact CG2-CB 4.29Å; V199-Q230 HydrophobicContact CG2-CG 4.16Å; S226-Q230 VanDerWaalsContact O-CB 3.24Å; S226-Q230 WeakPolarHBondContact O-CB 3.38Å; S226-Q230 PolarHBondContact O-N 3.48Å; G227-Q230 PolarHBondContact O-N 3Å; Q230-S232 PolarHBondContact O-N 3.03Å; Q230-K233 PolarHBondContact O-N 3.07Å; Q230-V234 WeakPolarHBondContact O-CG2 3.35Å; Q230-V234 PolarHBondContact O-N 3.33Å
231	F	97.3	Very high	93.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-51	174.5	179.9	-93.9	0	0	0	111.5	V199 M202 V203 V214 V216 G227 K233 V234 A235 V242 I274	V199-F231 HydrophobicContact CG1-CB 4.27Å; V199-F231 HydrophobicContact CG1-CD2 4.37Å; V199-F231 HydrophobicContact CG2-CB 4.2Å; M202-F231 HydrophobicContact CB-CD2 4.24Å; M202-F231 HydrophobicContact CB-CE2 4Å; V203-F231 HydrophobicContact CG2-CD2 4Å; V203-F231 HydrophobicContact CG2-CE2 3.69Å; V203-F231 HydrophobicContact CG2-CZ 4.39Å; V214-F231 HydrophobicContact CG2-CE1 3.87Å; V214-F231 HydrophobicContact CG2-CZ 4.12Å; V216-F231 HydrophobicContact CB-CD1 3.83Å; V216-F231 HydrophobicContact CB-CE1 4.25Å; V216-F231 HydrophobicContact CG1-CD1 4.09Å; V216-F231 HydrophobicContact CG2-CB 4.3Å; V216-F231 HydrophobicContact CG2-CD1 3.92Å; V216-F231 HydrophobicContact CG2-CG 4.25Å; G227-F231 VanDerWaalsContact O-CB 3.25Å; G227-F231 WeakPolarHBondContact O-CB 3.21Å; G227-F231 PolarHBondContact O-N 3.25Å; F231-K233 VanDerWaalsContact C-N 3.31Å; F231-K233 PolarHBondContact O-N 3.48Å; F231-V234 PolarHBondContact O-N 3.11Å; F231-A235 HydrophobicContact CD1-CB 4.47Å; F231-A235 HydrophobicContact CE1-CB 4.14Å; F231-A235 HydrophobicContact CZ-CB 4.36Å; F231-A235 WeakPolarHBondContact O-CB 3.33Å; F231-A235 PolarHBondContact O-N 2.9Å; F231-V242 HydrophobicContact CD1-CG2 4.29Å; F231-V242 HydrophobicContact CE1-CG2 4.06Å; F231-I274 HydrophobicContact CE1-CD1 3.74Å; F231-I274 HydrophobicContact CE1-CG1 4.17Å; F231-I274 HydrophobicContact CE2-CD1 4.14Å; F231-I274 HydrophobicContact CE2-CG1 3.89Å; F231-I274 HydrophobicContact CZ-CD1 3.43Å; F231-I274 VanDerWaalsContact CZ-CD1 3.43Å; F231-I274 HydrophobicContact CZ-CG1 3.7Å
232	S	95.6	Very high	94.1	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-43.7	-178.2	-56.4	0	0	0	0	111.8	V228 Q229 Q230 V234 A235 E236 Q245	V228-S232 WeakPolarHBondContact O-CB 3.04Å; V228-S232 PolarHBondContact O-N 2.92Å; V228-S232 PolarHBondContact O-OG 3.01Å; Q229-S232 PolarHBondContact O-N 3.29Å; Q230-S232 PolarHBondContact O-N 3.03Å; S232-V234 PolarHBondContact O-N 3.47Å; S232-A235 PolarHBondContact O-N 3.42Å; S232-E236 WeakPolarHBondContact O-CG 3.36Å; S232-E236 PolarHBondContact O-N 2.86Å; S232-E236 VanDerWaalsContact O-N 3.14Å; S232-Q245 PolarHBondContact OG-NE2 3.33Å
233	K	94.3	Very high	94.1	Very high	151 Å²	151	46 Å²	46	66%	0.657	24%	0.235	S	C	*	.	H	α-helix	trans	-63	-41.3	177.3	-176.5	179.1	179.9	179.9	0	113.2	Q229 Q230 F231	Q229-K233 WeakPolarHBondContact O-CB 3.07Å; Q229-K233 PolarHBondContact O-N 2.91Å; Q230-K233 PolarHBondContact O-N 3.07Å; F231-K233 VanDerWaalsContact C-N 3.31Å; F231-K233 PolarHBondContact O-N 3.48Å
234	V	95.3	Very high	94.1	Very high	35 Å²	35	47.9 Å²	47.9	21%	0.212	24%	0.242	C	C	.	.	H	α-helix	trans	-76.3	-36.7	-179.2	178.8	0	0	0	0	111.1	V199 V203 Q230 F231 S232 N237 K238	V199-V234 HydrophobicContact CG1-CB 3.8Å; V199-V234 HydrophobicContact CG1-CG1 4.28Å; V199-V234 HydrophobicContact CG1-CG2 3.82Å; V203-V234 HydrophobicContact CB-CG1 4.18Å; V203-V234 HydrophobicContact CG1-CG1 4.34Å; V203-V234 HydrophobicContact CG2-CB 4.27Å; V203-V234 HydrophobicContact CG2-CG1 3.92Å; Q230-V234 WeakPolarHBondContact O-CG2 3.35Å; Q230-V234 PolarHBondContact O-N 3.33Å; F231-V234 PolarHBondContact O-N 3.11Å; S232-V234 PolarHBondContact O-N 3.47Å; V234-N237 PolarHBondContact O-N 3.47Å; V234-K238 PolarHBondContact O-N 2.88Å
235	A	94.3	Very high	94.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-44.9	176.9	0	0	0	0	0	112	V203 F231 S232 N237 K238 S239 V240 V242	V203-A235 HydrophobicContact CG2-CB 4.32Å; F231-A235 HydrophobicContact CD1-CB 4.47Å; F231-A235 HydrophobicContact CE1-CB 4.14Å; F231-A235 HydrophobicContact CZ-CB 4.36Å; F231-A235 WeakPolarHBondContact O-CB 3.33Å; F231-A235 PolarHBondContact O-N 2.9Å; S232-A235 PolarHBondContact O-N 3.42Å; A235-N237 VanDerWaalsContact C-N 3.29Å; A235-N237 PolarHBondContact O-N 3.2Å; A235-K238 CarbonylContact O-C 3.24Å; A235-K238 PolarHBondContact O-N 2.92Å; A235-S239 PolarHBondContact O-N 3.44Å; A235-V240 CarbonylContact C-O 3.59Å; A235-V240 VanDerWaalsContact C-O 3.22Å; A235-V240 HydrophobicContact CB-CB 4Å; A235-V240 HydrophobicContact CB-CG1 4.22Å; A235-V240 PolarHBondContact O-N 2.95Å; A235-V240 VanDerWaalsContact O-O 3.14Å; A235-V242 HydrophobicContact CB-CG2 4.18Å
236	E	87.3	Confident	94.2	Very high	138 Å²	138	48.9 Å²	48.9	65%	0.645	25%	0.248	S	C	*	.	H	α-helix	trans	-56.5	-41.4	177.2	-77.3	175.7	-174.1	0	0	112.4	S232 K238 S239	S232-E236 WeakPolarHBondContact O-CG 3.36Å; S232-E236 PolarHBondContact O-N 2.86Å; S232-E236 VanDerWaalsContact O-N 3.14Å; E236-K238 PolarHBondContact O-N 3.39Å; E236-S239 PolarHBondContact O-N 3.23Å
237	N	88.7	Confident	94.3	Very high	130 Å²	130	50.9 Å²	50.9	70%	0.695	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-12	178.6	-71.6	-25.3	0	0	0	113.9	V234 A235	V234-N237 PolarHBondContact O-N 3.47Å; A235-N237 VanDerWaalsContact C-N 3.29Å; A235-N237 PolarHBondContact O-N 3.2Å
238	K	88.1	Confident	94.4	Very high	115 Å²	115	50.9 Å²	50.9	50%	0.5	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	21.1	-176.7	-69	-72	-171.3	171.5	0	112.5	V203 V234 A235 E236 V240	V203-K238 HydrophobicContact CG1-CB 3.49Å; V203-K238 VanDerWaalsContact CG1-CB 3.49Å; V203-K238 HydrophobicContact CG1-CG 3.63Å; V234-K238 PolarHBondContact O-N 2.88Å; A235-K238 CarbonylContact O-C 3.24Å; A235-K238 PolarHBondContact O-N 2.92Å; E236-K238 PolarHBondContact O-N 3.39Å; K238-V240 PolarHBondContact O-N 2.83Å
239	S	86.9	Confident	94.2	Very high	87 Å²	87	51.6 Å²	51.6	61%	0.608	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	28.3	178.3	-52.6	0	0	0	0	113.8	A235 E236	A235-S239 PolarHBondContact O-N 3.44Å; E236-S239 PolarHBondContact O-N 3.23Å
240	V	93.9	Very high	93.8	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	25%	0.252	C	S	.	.			trans	-105.3	119.6	171.8	-179.7	0	0	0	0	108.1	M206 V214 A235 K238	M206-V240 HydrophobicContact CB-CG1 4.47Å; M206-V240 HydrophobicContact CB-CG2 3.94Å; M206-V240 HydrophobicContact CG-CG1 4.41Å; V214-V240 HydrophobicContact CG1-CG1 4.2Å; V214-V240 HydrophobicContact CG2-CG1 3.9Å; A235-V240 CarbonylContact C-O 3.59Å; A235-V240 VanDerWaalsContact C-O 3.22Å; A235-V240 HydrophobicContact CB-CB 4Å; A235-V240 HydrophobicContact CB-CG1 4.22Å; A235-V240 PolarHBondContact O-N 2.95Å; A235-V240 VanDerWaalsContact O-O 3.14Å; K238-V240 PolarHBondContact O-N 2.83Å
241	C	93.9	Very high	93.1	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.054	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.6	179.7	-62.5	0	0	0	0	111.2	T212 W213 V214 H519 C521	T212-C241 WeakPolarHBondContact O-CA 3.36Å; T212-C241 WeakPolarHBondContact O-CB 3.43Å; T212-C241 PolarHBondContact O-N 2.96Å; W213-C241 HydrophobicContact CE3-CB 3.78Å; W213-C241 HydrophobicContact CZ3-CB 3.9Å; V214-C241 PolarHBondContact N-O 2.92Å; V214-C241 VanDerWaalsContact N-O 3.09Å; C241-H519 HydrophobicContact CB-CB 4.26Å; C241-C521 HydrophobicContact CB-CB 3.71Å; C241-C521 WeakPolarHBondContact CB-SG 3.33Å; C241-C521 PolarHBondContact N-SG 3.13Å; C241-C521 VanDerWaalsContact N-SG 3.38Å; C241-C521 WeakPolarHBondContact SG-CB 3.34Å; C241-C521 PolarHBondContact SG-N 3.49Å; C241-C521 CovalentContact SG-SG 2.04Å; C241-C521 PolarHBondContact SG-SG 3.28Å
242	V	95.9	Very high	92.5	Very high	13 Å²	13	57.2 Å²	57.2	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	106.8	173	-178.5	0	0	0	0	108.9	V214 V216 F231 A235 Y244 Q245 H519	V214-V242 HydrophobicContact CG2-CG2 4.31Å; V214-V242 CarbonylContact O-C 3.52Å; V214-V242 WeakPolarHBondContact O-CA 3.49Å; V216-V242 HydrophobicContact CG1-CG1 3.75Å; F231-V242 HydrophobicContact CD1-CG2 4.29Å; F231-V242 HydrophobicContact CE1-CG2 4.06Å; A235-V242 HydrophobicContact CB-CG2 4.18Å; V242-Y244 VanDerWaalsContact C-N 3.35Å; V242-Y244 WeakPolarHBondContact CG1-O 3.47Å; V242-Q245 HydrophobicContact CG1-CG 3.62Å; V242-H519 PolarHBondContact O-CE1 3.18Å
243	A	94.9	Very high	92.1	Very high	19 Å²	19	62.1 Å²	62.1	16%	0.157	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	-36	179.2	0	0	0	0	0	112.6	W213 V214 T268 V270	W213-A243 HydrophobicContact CD2-CB 3.77Å; W213-A243 HydrophobicContact CE3-CB 4.08Å; W213-A243 HydrophobicContact CH2-CB 3.56Å; W213-A243 HydrophobicContact CZ2-CB 3.21Å; W213-A243 HydrophobicContact CZ3-CB 3.97Å; V214-A243 WeakPolarHBondContact O-CB 3.27Å; V214-A243 PolarHBondContact O-N 3.31Å; A243-T268 HydrophobicContact CB-CG2 4.23Å; A243-V270 HydrophobicContact CB-CG1 3.51Å
244	Y	96.3	Very high	92	Very high	49 Å²	49	56.1 Å²	56.1	19%	0.192	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	139.9	-175.5	179.9	-108.9	0	0	0	111.4	A215 V216 I217 V242 I261 N264	A215-Y244 WeakPolarHBondContact CA-O 3.4Å; V216-Y244 PolarHBondContact N-O 3.09Å; I217-Y244 HydrophobicContact CD1-CD1 3.88Å; I217-Y244 HydrophobicContact CD1-CE1 3.79Å; V242-Y244 VanDerWaalsContact C-N 3.35Å; V242-Y244 WeakPolarHBondContact CG1-O 3.47Å; Y244-I261 HydrophobicContact CE1-CB 4.22Å; Y244-I261 HydrophobicContact CE1-CG1 4.04Å; Y244-I261 HydrophobicContact CE1-CG2 4.09Å; Y244-I261 WeakPolarHBondContact OH-CG1 3.28Å; Y244-N264 HydrophobicContact CD1-CB 4.06Å; Y244-N264 HydrophobicContact CD2-CB 3.77Å; Y244-N264 HydrophobicContact CE1-CB 4.01Å; Y244-N264 HydrophobicContact CE2-CB 3.75Å; Y244-N264 WeakPolarHBondContact CE2-ND2 3.45Å; Y244-N264 HydrophobicContact CG-CB 3.94Å; Y244-N264 VanDerWaalsContact CZ-ND2 3.34Å; Y244-N264 PolarHBondContact OH-ND2 3.18Å
245	Q	97.3	Very high	92	Very high	98 Å²	98	54.6 Å²	54.6	46%	0.458	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	171.1	-62.3	178.1	24.5	0	0	108.5	V216 V228 S232 V242	V216-Q245 HydrophobicContact CG1-CB 4.47Å; V216-Q245 HydrophobicContact CG1-CG 3.82Å; V216-Q245 WeakPolarHBondContact O-CA 3.31Å; V228-Q245 HydrophobicContact CG1-CB 4.2Å; V228-Q245 HydrophobicContact CG1-CG 4.28Å; S232-Q245 PolarHBondContact OG-NE2 3.33Å; V242-Q245 HydrophobicContact CG1-CG 3.62Å
246	G	97.3	Very high	92	Very high	3 Å²	3	57.6 Å²	57.6	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.4	179.1	0	0	0	0	0	111.9	V216 I217 G218	V216-G246 PolarHBondContact O-N 3.47Å; I217-G246 CarbonylContact C-O 3.59Å; I217-G246 VanDerWaalsContact CA-O 3.28Å; I217-G246 WeakPolarHBondContact CA-O 3.43Å; G218-G246 PolarHBondContact N-O 3.1Å
247	L	98	Very high	92.4	Very high	64 Å²	64	52.4 Å²	52.4	34%	0.335	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.4	173.1	-63.8	176.8	0	0	0	109.9	G218 Q225 V228 P249	G218-L247 CarbonylContact O-C 3.59Å; G218-L247 VanDerWaalsContact O-CA 3.31Å; G218-L247 WeakPolarHBondContact O-CA 3.34Å; Q225-L247 HydrophobicContact CG-CD1 4.43Å; V228-L247 HydrophobicContact CB-CD2 4.46Å; V228-L247 HydrophobicContact CG2-CD2 4.01Å; L247-P249 WeakPolarHBondContact O-CD 3.43Å
248	I	97.4	Very high	92.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.3	177.4	-57.4	163.6	0	0	0	107.6	I217 G218 E220 P254 V258 I261 A277 F285	I217-I248 HydrophobicContact CG2-CD1 3.79Å; I217-I248 HydrophobicContact CG2-CG1 3.9Å; G218-I248 PolarHBondContact O-N 3.49Å; E220-I248 WeakPolarHBondContact CB-O 3.44Å; E220-I248 PolarHBondContact N-O 3.09Å; I248-P254 HydrophobicContact CG2-CB 3.88Å; I248-V258 HydrophobicContact CG1-CG2 4.21Å; I248-V258 HydrophobicContact CG2-CG2 4.03Å; I248-I261 HydrophobicContact CG1-CD1 4Å; I248-A277 HydrophobicContact CD1-CB 4.47Å; I248-F285 HydrophobicContact CD1-CB 3.74Å; I248-F285 HydrophobicContact CD1-CD2 4.43Å; I248-F285 HydrophobicContact CD1-CG 4.18Å
249	P	93.2	Very high	93.2	Very high	20 Å²	20	47.2 Å²	47.2	13%	0.13	26%	0.255	C	S	.	.			trans	-57.7	139.4	177.2	-23.9	33.4	0	0	0	111.9	E220 L247 T252 A257	E220-P249 WeakPolarHBondContact OE2-CA 3.33Å; L247-P249 WeakPolarHBondContact O-CD 3.43Å; P249-T252 WeakPolarHBondContact CB-OG1 3.27Å; P249-A257 VanDerWaalsContact CD-CB 3.47Å; P249-A257 HydrophobicContact CG-CB 3.75Å
250	V	87.9	Confident	93.7	Very high	54 Å²	54	46.6 Å²	46.6	33%	0.327	25%	0.248	S	C	.	.	S	Bend	trans	-103.9	-32.2	-179.7	-178	0	0	0	0	111.7	E220 E221	E220-V250 HydrophobicContact CB-CG2 4.47Å; E221-V250 HydrophobicContact CB-CG2 4.44Å; E221-V250 HydrophobicContact CG-CG2 4.06Å
251	Y	81.4	Confident	93.9	Very high	115 Å²	115	46.6 Å²	46.6	45%	0.451	25%	0.248	S	C	.	.	S	Bend	trans	-102.2	-8.2	-175	-45.5	-76.1	0	0	0	114.1	E153	E153-Y251 PolarHBondContact OE1-OH 2.71Å; E153-Y251 PolarHBondContact OE2-OH 3.42Å
252	T	84.3	Confident	94	Very high	93 Å²	93	46.4 Å²	46.4	57%	0.571	25%	0.246	S	C	*	.	S	Bend	trans	-128.3	171.5	179.9	61.3	0	0	0	0	110	P249 P254	P249-T252 WeakPolarHBondContact CB-OG1 3.27Å; T252-P254 WeakPolarHBondContact O-CD 3.2Å; T252-P254 VanDerWaalsContact O-N 3.1Å
253	D	87.6	Confident	94.1	Very high	109 Å²	109	50 Å²	50	58%	0.583	26%	0.264	S	S	*	.			trans	-56.9	113.9	178.8	176.7	20.3	0	0	0	111.1	G255 P256	D253-G255 VanDerWaalsContact C-N 3.26Å; D253-G255 PolarHBondContact O-N 3.01Å; D253-G255 PolarHBondContact OD1-N 2.93Å; D253-P256 WeakPolarHBondContact OD2-CD 3.46Å
254	P	92.3	Very high	94.2	Very high	25 Å²	25	51.2 Å²	51.2	16%	0.162	27%	0.268	C	S	.	.			trans	-74.8	-14.7	-179.1	27.9	-31	0	0	0	113.1	I248 T252 A257 V258 F284	I248-P254 HydrophobicContact CG2-CB 3.88Å; T252-P254 WeakPolarHBondContact O-CD 3.2Å; T252-P254 VanDerWaalsContact O-N 3.1Å; P254-A257 PolarHBondContact O-N 3.02Å; P254-V258 HydrophobicContact CB-CG2 4.36Å; P254-V258 WeakPolarHBondContact O-CB 3.35Å; P254-V258 WeakPolarHBondContact O-CG2 3.29Å; P254-V258 PolarHBondContact O-N 3.24Å; P254-F284 HydrophobicContact CB-CD1 3.85Å; P254-F284 HydrophobicContact CB-CE1 3.78Å; P254-F284 HydrophobicContact CB-CZ 4.36Å; P254-F284 HydrophobicContact CG-CD1 3.64Å; P254-F284 HydrophobicContact CG-CD2 4.01Å; P254-F284 HydrophobicContact CG-CE1 3.58Å; P254-F284 HydrophobicContact CG-CE2 3.94Å; P254-F284 HydrophobicContact CG-CG 3.87Å; P254-F284 HydrophobicContact CG-CZ 3.73Å
255	G	94	Very high	94.3	Very high	4 Å²	4	49 Å²	49	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-52.9	-53	-172.9	0	0	0	0	0	115.2	D253 A257 V258 R259	D253-G255 VanDerWaalsContact C-N 3.26Å; D253-G255 PolarHBondContact O-N 3.01Å; D253-G255 PolarHBondContact OD1-N 2.93Å; G255-A257 PolarHBondContact O-N 3.46Å; G255-V258 PolarHBondContact O-N 3.35Å; G255-R259 PolarHBondContact O-N 3.24Å
256	P	94.8	Very high	94.2	Very high	63 Å²	63	50 Å²	50	41%	0.409	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-42	178.8	-24	34.3	0	0	0	113.5	D253 T260	D253-P256 WeakPolarHBondContact OD2-CD 3.46Å; P256-T260 PolarHBondContact O-N 3.47Å; P256-T260 PolarHBondContact O-OG1 3.46Å
257	A	95.6	Very high	94.1	Very high	28 Å²	28	54.6 Å²	54.6	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-45.1	179.5	0	0	0	0	0	111.2	P249 P254 G255 R259 T260 I261	P249-A257 VanDerWaalsContact CD-CB 3.47Å; P249-A257 HydrophobicContact CG-CB 3.75Å; P254-A257 PolarHBondContact O-N 3.02Å; G255-A257 PolarHBondContact O-N 3.46Å; A257-R259 PolarHBondContact O-N 3.24Å; A257-T260 WeakPolarHBondContact O-CA 3.27Å; A257-T260 WeakPolarHBondContact O-CB 3.3Å; A257-T260 PolarHBondContact O-N 3.43Å; A257-T260 VanDerWaalsContact O-N 3.1Å; A257-I261 WeakPolarHBondContact O-CG1 3.29Å; A257-I261 PolarHBondContact O-N 2.89Å
258	V	97.3	Very high	93.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-40.1	179.4	168.5	0	0	0	0	112.4	I248 P254 G255 T260 I261 I262 F284 F285 Q288	I248-V258 HydrophobicContact CG1-CG2 4.21Å; I248-V258 HydrophobicContact CG2-CG2 4.03Å; P254-V258 HydrophobicContact CB-CG2 4.36Å; P254-V258 WeakPolarHBondContact O-CB 3.35Å; P254-V258 WeakPolarHBondContact O-CG2 3.29Å; P254-V258 PolarHBondContact O-N 3.24Å; G255-V258 PolarHBondContact O-N 3.35Å; V258-T260 VanDerWaalsContact C-N 3.27Å; V258-T260 PolarHBondContact O-N 3.24Å; V258-I261 WeakPolarHBondContact O-CB 3.49Å; V258-I261 PolarHBondContact O-N 3.2Å; V258-I262 HydrophobicContact CG1-CD1 3.94Å; V258-I262 HydrophobicContact CG1-CG1 4.47Å; V258-I262 WeakPolarHBondContact O-CG1 3.36Å; V258-I262 PolarHBondContact O-N 3.45Å; V258-F284 HydrophobicContact CB-CD1 4.42Å; V258-F284 HydrophobicContact CB-CE1 4.04Å; V258-F284 HydrophobicContact CG1-CE1 4.36Å; V258-F284 HydrophobicContact CG2-CD1 3.9Å; V258-F284 HydrophobicContact CG2-CE1 3.92Å; V258-F285 HydrophobicContact CG1-CD2 4.04Å; V258-Q288 HydrophobicContact CG1-CB 3.59Å; V258-Q288 HydrophobicContact CG1-CG 3.69Å
259	R	96.5	Very high	93.7	Very high	136 Å²	136	60.2 Å²	60.2	51%	0.513	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-40.9	172.2	-77.4	-170.5	-69.8	-99	-0.1	112.2	G255 A257 I262 N263	G255-R259 PolarHBondContact O-N 3.24Å; A257-R259 PolarHBondContact O-N 3.24Å; R259-I262 PolarHBondContact O-N 3.5Å; R259-N263 WeakPolarHBondContact O-CB 3.29Å; R259-N263 PolarHBondContact O-N 3.07Å
260	T	97.3	Very high	93.7	Very high	75 Å²	75	59.7 Å²	59.7	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-43.6	177	-54.9	0	0	0	0	111.2	P256 A257 V258 N263 N264	P256-T260 PolarHBondContact O-N 3.47Å; P256-T260 PolarHBondContact O-OG1 3.46Å; A257-T260 WeakPolarHBondContact O-CA 3.27Å; A257-T260 WeakPolarHBondContact O-CB 3.3Å; A257-T260 PolarHBondContact O-N 3.43Å; A257-T260 VanDerWaalsContact O-N 3.1Å; V258-T260 VanDerWaalsContact C-N 3.27Å; V258-T260 PolarHBondContact O-N 3.24Å; T260-N263 PolarHBondContact O-N 2.98Å; T260-N264 WeakPolarHBondContact O-CB 3.25Å; T260-N264 VanDerWaalsContact O-CG 3.3Å; T260-N264 PolarHBondContact O-N 3.41Å; T260-N264 PolarHBondContact O-ND2 3.25Å
261	I	98	Very high	94.1	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-51	175.7	-71	165.6	0	0	0	110.7	I217 Y244 I248 A257 V258 N263 N264 I265 F285	I217-I261 HydrophobicContact CD1-CG2 3.45Å; I217-I261 VanDerWaalsContact CD1-CG2 3.45Å; I217-I261 HydrophobicContact CG1-CG2 4.02Å; I217-I261 HydrophobicContact CG2-CD1 4.2Å; I217-I261 HydrophobicContact CG2-CG2 4.33Å; Y244-I261 HydrophobicContact CE1-CB 4.22Å; Y244-I261 HydrophobicContact CE1-CG1 4.04Å; Y244-I261 HydrophobicContact CE1-CG2 4.09Å; Y244-I261 WeakPolarHBondContact OH-CG1 3.28Å; I248-I261 HydrophobicContact CG1-CD1 4Å; A257-I261 WeakPolarHBondContact O-CG1 3.29Å; A257-I261 PolarHBondContact O-N 2.89Å; V258-I261 WeakPolarHBondContact O-CB 3.49Å; V258-I261 PolarHBondContact O-N 3.2Å; I261-N263 VanDerWaalsContact C-N 3.33Å; I261-N263 PolarHBondContact O-N 2.88Å; I261-N264 PolarHBondContact O-N 3.49Å; I261-I265 HydrophobicContact CG2-CD1 3.8Å; I261-I265 HydrophobicContact CG2-CG1 4.48Å; I261-I265 WeakPolarHBondContact O-CG1 3.49Å; I261-I265 PolarHBondContact O-N 3.32Å; I261-F285 HydrophobicContact CG2-CD2 4.44Å; I261-F285 HydrophobicContact CG2-CE2 3.73Å
262	I	97.7	Very high	94.9	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-43.1	179.9	-70.2	170.3	0	0	0	111	V258 R259 N264 I265 R266 F285 Q288 V289 E292 L294	V258-I262 HydrophobicContact CG1-CD1 3.94Å; V258-I262 HydrophobicContact CG1-CG1 4.47Å; V258-I262 WeakPolarHBondContact O-CG1 3.36Å; V258-I262 PolarHBondContact O-N 3.45Å; R259-I262 PolarHBondContact O-N 3.5Å; I262-N264 VanDerWaalsContact C-N 3.32Å; I262-N264 PolarHBondContact O-N 3.47Å; I262-I265 PolarHBondContact O-N 2.87Å; I262-R266 PolarHBondContact O-N 2.04Å; I262-F285 HydrophobicContact CG1-CE2 4.16Å; I262-Q288 HydrophobicContact CD1-CB 3.59Å; I262-V289 HydrophobicContact CD1-CG2 4.21Å; I262-V289 HydrophobicContact CG1-CG2 4.32Å; I262-E292 HydrophobicContact CD1-CG 4.34Å; I262-E292 HydrophobicContact CG2-CB 4.05Å; I262-E292 HydrophobicContact CG2-CG 4.08Å; I262-L294 HydrophobicContact CG2-CD2 4.16Å
263	N	97.4	Very high	95.5	Very high	87 Å²	87	52 Å²	52	47%	0.465	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-39	177.5	-171.5	62.2	0	0	0	112.2	R259 T260 I261 R266 T267	R259-N263 WeakPolarHBondContact O-CB 3.29Å; R259-N263 PolarHBondContact O-N 3.07Å; T260-N263 PolarHBondContact O-N 2.98Å; I261-N263 VanDerWaalsContact C-N 3.33Å; I261-N263 PolarHBondContact O-N 2.88Å; N263-R266 PolarHBondContact O-N 3.22Å; N263-T267 WeakPolarHBondContact O-CB 2.99Å; N263-T267 PolarHBondContact O-N 2.89Å; N263-T267 PolarHBondContact O-OG1 3.41Å
264	N	97.4	Very high	96.1	Very high	45 Å²	45	46.9 Å²	46.9	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-38.3	176.6	-71.1	-27.1	0	0	0	112.2	Y244 T260 I261 I262 R266 T267 T268	Y244-N264 HydrophobicContact CD1-CB 4.06Å; Y244-N264 HydrophobicContact CD2-CB 3.77Å; Y244-N264 HydrophobicContact CE1-CB 4.01Å; Y244-N264 HydrophobicContact CE2-CB 3.75Å; Y244-N264 WeakPolarHBondContact CE2-ND2 3.45Å; Y244-N264 HydrophobicContact CG-CB 3.94Å; Y244-N264 VanDerWaalsContact CZ-ND2 3.34Å; Y244-N264 PolarHBondContact OH-ND2 3.18Å; T260-N264 WeakPolarHBondContact O-CB 3.25Å; T260-N264 VanDerWaalsContact O-CG 3.3Å; T260-N264 PolarHBondContact O-N 3.41Å; T260-N264 PolarHBondContact O-ND2 3.25Å; I261-N264 PolarHBondContact O-N 3.49Å; I262-N264 VanDerWaalsContact C-N 3.32Å; I262-N264 PolarHBondContact O-N 3.47Å; N264-R266 VanDerWaalsContact C-N 3.3Å; N264-R266 PolarHBondContact O-N 3.16Å; N264-T267 PolarHBondContact O-N 3.46Å; N264-T268 WeakPolarHBondContact O-CB 3.36Å; N264-T268 WeakPolarHBondContact O-CG2 3.48Å; N264-T268 PolarHBondContact O-N 3.49Å; N264-T268 PolarHBondContact O-OG1 3.43Å
265	I	97.1	Very high	96.3	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-44.6	172	-70	166.1	0	0	0	110.3	A215 I217 I261 I262 T268 E269 V270 V273 F285 L294	A215-I265 HydrophobicContact CB-CG1 4.43Å; I217-I265 HydrophobicContact CD1-CD1 4.38Å; I217-I265 HydrophobicContact CG1-CD1 4.42Å; I261-I265 HydrophobicContact CG2-CD1 3.8Å; I261-I265 HydrophobicContact CG2-CG1 4.48Å; I261-I265 WeakPolarHBondContact O-CG1 3.49Å; I261-I265 PolarHBondContact O-N 3.32Å; I262-I265 PolarHBondContact O-N 2.87Å; I265-T268 PolarHBondContact O-OG1 3.29Å; I265-E269 PolarHBondContact O-N 2.73Å; I265-V270 HydrophobicContact CB-CG2 4.36Å; I265-V270 HydrophobicContact CG2-CG2 3.79Å; I265-V273 HydrophobicContact CD1-CG1 4.25Å; I265-V273 HydrophobicContact CD1-CG2 4.36Å; I265-V273 HydrophobicContact CG2-CG2 4.23Å; I265-F285 HydrophobicContact CD1-CE2 4.31Å; I265-F285 HydrophobicContact CD1-CZ 4.02Å; I265-L294 HydrophobicContact CB-CD2 4.34Å; I265-L294 HydrophobicContact CG2-CD1 4.48Å; I265-L294 HydrophobicContact CG2-CD2 3.76Å
266	R	95.3	Very high	96.5	Very high	120 Å²	120	45.5 Å²	45.5	45%	0.453	23%	0.23	S	C	.	.	H	α-helix	trans	-64.9	-44.2	177.1	-168.6	-178.8	-72.3	156.7	-0	112	I262 N263 N264 E269 E292	I262-R266 PolarHBondContact O-N 2.04Å; N263-R266 PolarHBondContact O-N 3.22Å; N264-R266 VanDerWaalsContact C-N 3.3Å; N264-R266 PolarHBondContact O-N 3.16Å; R266-E269 PolarHBondContact O-N 3.06Å; R266-E292 IonicContact CZ-OE2 3.76Å; R266-E292 IonicContact NH1-OE2 3.85Å; R266-E292 PolarHBondContact NH2-O 2.93Å; R266-E292 IonicContact NH2-OE2 3.64Å; R266-E292 PolarHBondContact NH2-OE2 2.97Å; R266-E292 VanDerWaalsContact NH2-OE2 3.11Å
267	T	95.1	Very high	96.6	Very high	99 Å²	99	42.5 Å²	42.5	61%	0.607	21%	0.21	S	C	*	.	H	α-helix	trans	-69.6	-32.6	-176.8	-54.9	0	0	0	0	112.6	N263 N264 E269	N263-T267 WeakPolarHBondContact O-CB 2.99Å; N263-T267 PolarHBondContact O-N 2.89Å; N263-T267 PolarHBondContact O-OG1 3.41Å; N264-T267 PolarHBondContact O-N 3.46Å; T267-E269 VanDerWaalsContact C-N 3.32Å
268	T	93.1	Very high	96.5	Very high	33 Å²	33	42.1 Å²	42.1	20%	0.202	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-6	178.1	54.3	0	0	0	0	113.4	W213 A243 N264 I265 V270	W213-T268 PolarHBondContact NE1-O 3.29Å; A243-T268 HydrophobicContact CB-CG2 4.23Å; N264-T268 WeakPolarHBondContact O-CB 3.36Å; N264-T268 WeakPolarHBondContact O-CG2 3.48Å; N264-T268 PolarHBondContact O-N 3.49Å; N264-T268 PolarHBondContact O-OG1 3.43Å; I265-T268 PolarHBondContact O-OG1 3.29Å; T268-V270 PolarHBondContact O-N 3.16Å
269	E	93.8	Very high	96.3	Very high	149 Å²	149	42.3 Å²	42.3	70%	0.696	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	20.6	179.8	-57.6	-171.7	154.7	0	0	115	I265 R266 T267	I265-E269 PolarHBondContact O-N 2.73Å; R266-E269 PolarHBondContact O-N 3.06Å; T267-E269 VanDerWaalsContact C-N 3.32Å
270	V	94.9	Very high	96	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	20%	0.197	C	C	.	.			trans	-63.2	139.1	176.3	-64.7	0	0	0	0	110.7	W213 A215 A243 I265 T268 V273	W213-V270 HydrophobicContact CG-CG1 4.25Å; A215-V270 HydrophobicContact CB-CG2 3.84Å; A243-V270 HydrophobicContact CB-CG1 3.51Å; I265-V270 HydrophobicContact CB-CG2 4.36Å; I265-V270 HydrophobicContact CG2-CG2 3.79Å; T268-V270 PolarHBondContact O-N 3.16Å; V270-V273 HydrophobicContact CG2-CG2 4.19Å
271	K	95.3	Very high	95.9	Very high	99 Å²	99	36.2 Å²	36.2	43%	0.43	18%	0.179	S	C	.	.	S	Bend	trans	-103.9	-18.3	176.5	-58.8	-57.8	-179.6	-177.1	0	113	V297 P499 S501	K271-V297 PolarHBondContact O-N 3.48Å; K271-P499 HydrophobicContact CB-CB 4.29Å; K271-S501 PolarHBondContact N-OG 2.9Å; K271-S501 VanDerWaalsContact N-OG 3.15Å
272	V	97.6	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.1	-179.1	-177.3	0	0	0	0	109.2	M206 W211 V214 A215 V297 I299 S501	M206-V272 HydrophobicContact CE-CG1 3.98Å; M206-V272 HydrophobicContact SD-CG1 3.91Å; W211-V272 HydrophobicContact CD2-CG1 4.44Å; W211-V272 HydrophobicContact CD2-CG2 3.58Å; W211-V272 HydrophobicContact CE3-CG1 3.98Å; W211-V272 HydrophobicContact CE3-CG2 3.93Å; W211-V272 HydrophobicContact CG-CG2 3.87Å; W211-V272 HydrophobicContact CH2-CG2 4.42Å; W211-V272 HydrophobicContact CZ2-CG2 4.13Å; W211-V272 HydrophobicContact CZ3-CG1 4.21Å; W211-V272 HydrophobicContact CZ3-CG2 4.33Å; V214-V272 WeakPolarHBondContact CA-O 3.25Å; V214-V272 HydrophobicContact CG1-CB 4.15Å; V214-V272 HydrophobicContact CG1-CG1 4.28Å; A215-V272 PolarHBondContact N-O 2.86Å; A215-V272 VanDerWaalsContact N-O 3.16Å; V272-V297 WeakPolarHBondContact CA-O 3.45Å; V272-V297 HydrophobicContact CG2-CB 4.16Å; V272-I299 HydrophobicContact CG1-CD1 4.5Å; V272-I299 HydrophobicContact CG1-CG1 3.99Å; V272-S501 PolarHBondContact N-OG 3.01Å
273	V	98.4	Very high	95.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121	-177.2	-174.6	0	0	0	0	109.8	A215 I217 I265 V270 V275 V297 W298 I299	A215-V273 HydrophobicContact CB-CG1 4.33Å; A215-V273 HydrophobicContact CB-CG2 4.38Å; A215-V273 CarbonylContact O-C 3.47Å; A215-V273 WeakPolarHBondContact O-CA 3.49Å; I217-V273 HydrophobicContact CG1-CG1 3.79Å; I265-V273 HydrophobicContact CD1-CG1 4.25Å; I265-V273 HydrophobicContact CD1-CG2 4.36Å; I265-V273 HydrophobicContact CG2-CG2 4.23Å; V270-V273 HydrophobicContact CG2-CG2 4.19Å; V273-V275 HydrophobicContact CG1-CG2 4.27Å; V273-V297 PolarHBondContact N-O 3.3Å; V273-W298 HydrophobicContact CB-CE3 3.65Å; V273-W298 HydrophobicContact CB-CZ3 3.65Å; V273-W298 HydrophobicContact CG1-CE3 4.11Å; V273-W298 HydrophobicContact CG1-CZ3 3.93Å; V273-W298 HydrophobicContact CG2-CE3 4.16Å; V273-W298 HydrophobicContact CG2-CH2 4.42Å; V273-W298 HydrophobicContact CG2-CZ3 3.73Å; V273-W298 WeakPolarHBondContact O-CA 3.37Å; V273-I299 PolarHBondContact O-N 3.43Å
274	I	98.6	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.6	175.6	-59.1	81.8	0	0	0	108.2	M202 M206 V214 A215 V216 I217 F231 I299	M202-I274 HydrophobicContact CE-CG2 4.3Å; M202-I274 HydrophobicContact SD-CG2 3.75Å; M206-I274 HydrophobicContact CE-CD1 3.85Å; M206-I274 HydrophobicContact CE-CG1 3.91Å; V214-I274 HydrophobicContact CB-CD1 3.83Å; V214-I274 HydrophobicContact CG1-CD1 4.37Å; V214-I274 HydrophobicContact CG2-CD1 3.92Å; A215-I274 WeakPolarHBondContact O-CD1 3.29Å; A215-I274 PolarHBondContact O-N 3.18Å; V216-I274 CarbonylContact C-O 3.52Å; V216-I274 WeakPolarHBondContact CA-O 3.44Å; V216-I274 HydrophobicContact CB-CB 4.24Å; V216-I274 HydrophobicContact CG2-CB 3.98Å; V216-I274 HydrophobicContact CG2-CG2 4.06Å; I217-I274 PolarHBondContact N-O 3.43Å; F231-I274 HydrophobicContact CE1-CD1 3.74Å; F231-I274 HydrophobicContact CE1-CG1 4.17Å; F231-I274 HydrophobicContact CE2-CD1 4.14Å; F231-I274 HydrophobicContact CE2-CG1 3.89Å; F231-I274 HydrophobicContact CZ-CD1 3.43Å; F231-I274 VanDerWaalsContact CZ-CD1 3.43Å; F231-I274 HydrophobicContact CZ-CG1 3.7Å; I274-I299 HydrophobicContact CG1-CB 4.16Å; I274-I299 HydrophobicContact CG1-CG1 4.41Å
275	V	98.3	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	93.7	-178	-172.7	0	0	0	0	110.3	I217 V273 A277 A282 F285 F286 W298 I299 S301 W304	I217-V275 CarbonylContact O-C 3.41Å; I217-V275 WeakPolarHBondContact O-CA 3.41Å; V273-V275 HydrophobicContact CG1-CG2 4.27Å; V275-A277 HydrophobicContact CG1-CB 4.07Å; V275-A277 PolarHBondContact O-N 3.34Å; V275-A282 HydrophobicContact CG1-CB 4.45Å; V275-F285 HydrophobicContact CG2-CE1 4.22Å; V275-F286 HydrophobicContact CG2-CZ 4.09Å; V275-W298 HydrophobicContact CG2-CE3 4.46Å; V275-I299 PolarHBondContact N-O 3.07Å; V275-S301 PolarHBondContact O-N 3.28Å; V275-S301 PolarHBondContact O-OG 3.22Å; V275-S301 VanDerWaalsContact O-OG 3.09Å; V275-W304 HydrophobicContact CB-CZ2 3.89Å; V275-W304 HydrophobicContact CG1-CZ2 4.26Å; V275-W304 PolarHBondContact O-NE1 2.86Å
276	F	96.8	Very high	95.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	64.5	179.4	-137.2	-79.9	0	0	0	110.5	D195 Q198 V199 M202 I217 G218 S219 Y223 G224	D195-F276 HydrophobicContact CB-CE1 4.19Å; D195-F276 HydrophobicContact CB-CZ 3.76Å; D195-F276 VanDerWaalsContact CG-CZ 3.48Å; D195-F276 WeakPolarHBondContact OD1-CZ 3.23Å; Q198-F276 HydrophobicContact CG-CE2 4.22Å; Q198-F276 VanDerWaalsContact OE1-CZ 3.22Å; V199-F276 HydrophobicContact CG2-CE2 4.21Å; M202-F276 HydrophobicContact CE-CD2 4.06Å; M202-F276 HydrophobicContact CE-CE2 3.98Å; M202-F276 HydrophobicContact SD-CD2 4.15Å; M202-F276 HydrophobicContact SD-CE2 4.09Å; I217-F276 PolarHBondContact O-N 3.11Å; G218-F276 WeakPolarHBondContact CA-O 3.43Å; S219-F276 PolarHBondContact N-O 3.2Å; Y223-F276 HydrophobicContact CD1-CD1 4.42Å; Y223-F276 HydrophobicContact CD2-CD1 4.39Å; Y223-F276 AromaticContact CD2-CE1 3.89Å; Y223-F276 HydrophobicContact CD2-CE1 3.89Å; Y223-F276 AromaticContact CE1-CD1 3.91Å; Y223-F276 HydrophobicContact CE1-CD1 3.91Å; Y223-F276 HydrophobicContact CE1-CE1 4.17Å; Y223-F276 AromaticContact CE2-CD1 3.91Å; Y223-F276 HydrophobicContact CE2-CD1 3.91Å; Y223-F276 AromaticContact CE2-CE1 3.3Å; Y223-F276 HydrophobicContact CE2-CE1 3.3Å; Y223-F276 HydrophobicContact CE2-CZ 4.15Å; Y223-F276 AromaticContact CZ-CD1 3.64Å; Y223-F276 AromaticContact CZ-CE1 3.46Å; Y223-F276 VanDerWaalsContact CZ-CE1 3.46Å; G224-F276 WeakPolarHBondContact CA-O 3.4Å
277	A	96.8	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.			trans	-129.1	159.1	-171.2	0	0	0	0	0	112.7	S219 I248 V275 A282 S303	S219-A277 WeakPolarHBondContact OG-CA 3.5Å; I248-A277 HydrophobicContact CD1-CB 4.47Å; V275-A277 HydrophobicContact CG1-CB 4.07Å; V275-A277 PolarHBondContact O-N 3.34Å; A277-A282 HydrophobicContact CB-CB 4.3Å; A277-S303 PolarHBondContact O-OG 3.27Å
278	L	94.1	Very high	95.9	Very high	21 Å²	21	25.6 Å²	25.6	11%	0.11	12%	0.123	C	C	.	.			trans	-66.1	155.6	168.9	-64.2	-179.1	0	0	0	111.6	S219 E221 Y223 E280 S281 A282	S219-L278 PolarHBondContact OG-N 3.36Å; E221-L278 HydrophobicContact CG-CD1 3.69Å; E221-L278 HydrophobicContact CG-CG 4.29Å; Y223-L278 HydrophobicContact CD1-CD2 3.94Å; Y223-L278 HydrophobicContact CD1-CG 4.49Å; Y223-L278 HydrophobicContact CE1-CD2 4.47Å; L278-E280 VanDerWaalsContact C-N 3.34Å; L278-E280 PolarHBondContact O-N 3.36Å; L278-S281 PolarHBondContact O-N 2.99Å; L278-A282 WeakPolarHBondContact O-CB 3.43Å; L278-A282 PolarHBondContact O-N 2.81Å
279	P	92.6	Very high	96.1	Very high	4 Å²	4	24 Å²	24	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-54.4	-41.8	-174.9	-29.6	35.9	0	0	0	115.1	A283 W304 L310	P279-A283 VanDerWaalsContact O-CB 3.31Å; P279-A283 WeakPolarHBondContact O-CB 3.34Å; P279-A283 PolarHBondContact O-N 3.08Å; P279-W304 HydrophobicContact CG-CB 4.43Å; P279-L310 HydrophobicContact CB-CD2 4.2Å; P279-L310 WeakPolarHBondContact O-CD2 3.31Å
280	E	91.1	Very high	96.3	Very high	71 Å²	71	18.1 Å²	18.1	33%	0.332	9%	0.086	S	C	.	.	H	α-helix	trans	-69.3	-42.8	-179.5	-58.7	-53	148.8	0	0	112.2	R109 L278 A283 F284 R309	R109-E280 IonicContact NH1-OE1 2.8Å; L278-E280 VanDerWaalsContact C-N 3.34Å; L278-E280 PolarHBondContact O-N 3.36Å; E280-A283 PolarHBondContact O-N 3.37Å; E280-F284 PolarHBondContact O-N 3.14Å; E280-R309 IonicContact OE2-NE 2.71Å
281	S	94.8	Very high	96.3	Very high	12 Å²	12	23.7 Å²	23.7	8%	0.084	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-42.5	176.7	-54.9	0	0	0	0	111.4	L278 F285	L278-S281 PolarHBondContact O-N 2.99Å; S281-F285 WeakPolarHBondContact O-CB 3.22Å; S281-F285 PolarHBondContact O-N 3Å
282	A	97.3	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-42.5	174.7	0	0	0	0	0	111.4	V275 A277 L278 F285 F286 W304 L310	V275-A282 HydrophobicContact CG1-CB 4.45Å; A277-A282 HydrophobicContact CB-CB 4.3Å; L278-A282 WeakPolarHBondContact O-CB 3.43Å; L278-A282 PolarHBondContact O-N 2.81Å; A282-F285 WeakPolarHBondContact O-CB 3.35Å; A282-F285 PolarHBondContact O-N 2.86Å; A282-F286 WeakPolarHBondContact O-CD2 3.3Å; A282-F286 PolarHBondContact O-N 3.29Å; A282-W304 HydrophobicContact CB-CD2 4.36Å; A282-W304 HydrophobicContact CB-CG 4.1Å; A282-L310 HydrophobicContact CB-CD1 4.18Å
283	A	96.6	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-46.9	178.6	0	0	0	0	0	112.2	P279 E280 F285 F286 E287 R309 L310 I313	P279-A283 VanDerWaalsContact O-CB 3.31Å; P279-A283 WeakPolarHBondContact O-CB 3.34Å; P279-A283 PolarHBondContact O-N 3.08Å; E280-A283 PolarHBondContact O-N 3.37Å; A283-F285 VanDerWaalsContact C-N 3.31Å; A283-F285 PolarHBondContact O-N 2.94Å; A283-F286 PolarHBondContact O-N 3.23Å; A283-E287 WeakPolarHBondContact O-CB 3.23Å; A283-E287 VanDerWaalsContact O-CG 3.31Å; A283-E287 WeakPolarHBondContact O-CG 3.17Å; A283-E287 PolarHBondContact O-N 3.43Å; A283-R309 HydrophobicContact CB-CG 3.79Å; A283-L310 HydrophobicContact CB-CD1 3.96Å; A283-L310 HydrophobicContact CB-CD2 4.17Å; A283-I313 HydrophobicContact CB-CD1 4.05Å
284	F	95.9	Very high	96	Very high	55 Å²	55	30.6 Å²	30.6	24%	0.241	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-42.6	175.3	-175.9	-85.1	0	0	0	111.7	P254 V258 E280 Q288	P254-F284 HydrophobicContact CB-CD1 3.85Å; P254-F284 HydrophobicContact CB-CE1 3.78Å; P254-F284 HydrophobicContact CB-CZ 4.36Å; P254-F284 HydrophobicContact CG-CD1 3.64Å; P254-F284 HydrophobicContact CG-CD2 4.01Å; P254-F284 HydrophobicContact CG-CE1 3.58Å; P254-F284 HydrophobicContact CG-CE2 3.94Å; P254-F284 HydrophobicContact CG-CG 3.87Å; P254-F284 HydrophobicContact CG-CZ 3.73Å; V258-F284 HydrophobicContact CB-CD1 4.42Å; V258-F284 HydrophobicContact CB-CE1 4.04Å; V258-F284 HydrophobicContact CG1-CE1 4.36Å; V258-F284 HydrophobicContact CG2-CD1 3.9Å; V258-F284 HydrophobicContact CG2-CE1 3.92Å; E280-F284 PolarHBondContact O-N 3.14Å; F284-Q288 HydrophobicContact CD1-CG 4.46Å; F284-Q288 HydrophobicContact CE1-CG 4.04Å; F284-Q288 HydrophobicContact CZ-CG 4.43Å; F284-Q288 WeakPolarHBondContact O-CG 3.14Å; F284-Q288 PolarHBondContact O-N 3.11Å
285	F	97.8	Very high	95.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-50.6	175.3	172	-105.2	0	0	0	112	I248 V258 I261 I262 I265 V275 S281 A282 A283 E287 Q288 V289 W298	I248-F285 HydrophobicContact CD1-CB 3.74Å; I248-F285 HydrophobicContact CD1-CD2 4.43Å; I248-F285 HydrophobicContact CD1-CG 4.18Å; V258-F285 HydrophobicContact CG1-CD2 4.04Å; I261-F285 HydrophobicContact CG2-CD2 4.44Å; I261-F285 HydrophobicContact CG2-CE2 3.73Å; I262-F285 HydrophobicContact CG1-CE2 4.16Å; I265-F285 HydrophobicContact CD1-CE2 4.31Å; I265-F285 HydrophobicContact CD1-CZ 4.02Å; V275-F285 HydrophobicContact CG2-CE1 4.22Å; S281-F285 WeakPolarHBondContact O-CB 3.22Å; S281-F285 PolarHBondContact O-N 3Å; A282-F285 WeakPolarHBondContact O-CB 3.35Å; A282-F285 PolarHBondContact O-N 2.86Å; A283-F285 VanDerWaalsContact C-N 3.31Å; A283-F285 PolarHBondContact O-N 2.94Å; F285-E287 PolarHBondContact O-N 2.83Å; F285-Q288 WeakPolarHBondContact O-CB 3.35Å; F285-Q288 PolarHBondContact O-N 3.43Å; F285-Q288 VanDerWaalsContact O-N 3.13Å; F285-V289 HydrophobicContact CD1-CG2 4.09Å; F285-V289 HydrophobicContact CD2-CG2 4.31Å; F285-V289 HydrophobicContact CE1-CG2 3.65Å; F285-V289 HydrophobicContact CE2-CG2 3.88Å; F285-V289 HydrophobicContact CG-CG2 4.4Å; F285-V289 HydrophobicContact CZ-CG2 3.54Å; F285-V289 WeakPolarHBondContact O-CG2 3.33Å; F285-V289 PolarHBondContact O-N 3.46Å; F285-W298 HydrophobicContact CE1-CE3 4.24Å; F285-W298 AromaticContact CE1-CZ3 3.9Å; F285-W298 HydrophobicContact CE1-CZ3 3.9Å; F285-W298 AromaticContact CZ-CZ3 3.92Å; F285-W298 HydrophobicContact CZ-CZ3 3.92Å
286	F	97.9	Very high	95.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-31.9	-178.1	-75.7	-61.1	0	0	0	113.6	V275 A282 A283 Q288 V289 I290 W298 W304 L310 I313 I316 I319	V275-F286 HydrophobicContact CG2-CZ 4.09Å; A282-F286 WeakPolarHBondContact O-CD2 3.3Å; A282-F286 PolarHBondContact O-N 3.29Å; A283-F286 PolarHBondContact O-N 3.23Å; F286-Q288 PolarHBondContact O-N 3.15Å; F286-V289 HydrophobicContact CD1-CB 4.4Å; F286-V289 HydrophobicContact CD1-CG2 4.4Å; F286-V289 PolarHBondContact O-N 3.07Å; F286-I290 WeakPolarHBondContact O-CD1 3.31Å; F286-I290 VanDerWaalsContact O-CG1 3.23Å; F286-I290 WeakPolarHBondContact O-CG1 3.37Å; F286-I290 PolarHBondContact O-N 3.38Å; F286-W298 HydrophobicContact CE1-CB 4.15Å; F286-W298 AromaticContact CE1-CD2 3.67Å; F286-W298 HydrophobicContact CE1-CD2 3.67Å; F286-W298 AromaticContact CE1-CE3 3.83Å; F286-W298 HydrophobicContact CE1-CE3 3.83Å; F286-W298 AromaticContact CE1-CG 3.78Å; F286-W298 HydrophobicContact CE1-CG 3.78Å; F286-W298 HydrophobicContact CZ-CB 4.07Å; F286-W298 HydrophobicContact CZ-CD2 4.36Å; F286-W298 HydrophobicContact CZ-CE3 4.38Å; F286-W298 HydrophobicContact CZ-CG 4.22Å; F286-W304 HydrophobicContact CE2-CE3 4.46Å; F286-W304 AromaticContact CE2-CH2 3.39Å; F286-W304 HydrophobicContact CE2-CH2 3.39Å; F286-W304 AromaticContact CE2-CZ2 3.62Å; F286-W304 HydrophobicContact CE2-CZ2 3.62Å; F286-W304 AromaticContact CE2-CZ3 3.87Å; F286-W304 HydrophobicContact CE2-CZ3 3.87Å; F286-W304 AromaticContact CZ-CH2 3.56Å; F286-W304 HydrophobicContact CZ-CH2 3.56Å; F286-W304 AromaticContact CZ-CZ2 3.85Å; F286-W304 HydrophobicContact CZ-CZ2 3.85Å; F286-W304 HydrophobicContact CZ-CZ3 4.38Å; F286-L310 HydrophobicContact CD2-CD1 3.74Å; F286-L310 HydrophobicContact CE2-CD1 4.43Å; F286-I313 HydrophobicContact CB-CD1 4.24Å; F286-I316 HydrophobicContact CB-CD1 3.96Å; F286-I316 HydrophobicContact CD1-CD1 4.48Å; F286-I316 HydrophobicContact CG-CD1 4.23Å; F286-I319 HydrophobicContact CD1-CD1 3.27Å; F286-I319 HydrophobicContact CE1-CD1 3.51Å; F286-I319 HydrophobicContact CG-CD1 4.23Å
287	E	97.1	Very high	95.6	Very high	58 Å²	58	35.1 Å²	35.1	27%	0.271	18%	0.181	S	C	.	.	H	α-helix	trans	-59.2	-38.9	170.8	-75.9	169.9	-175.1	0	0	111.5	A283 F285 Q291 R309 I313	A283-E287 WeakPolarHBondContact O-CB 3.23Å; A283-E287 VanDerWaalsContact O-CG 3.31Å; A283-E287 WeakPolarHBondContact O-CG 3.17Å; A283-E287 PolarHBondContact O-N 3.43Å; F285-E287 PolarHBondContact O-N 2.83Å; E287-Q291 VanDerWaalsContact O-CG 3.26Å; E287-Q291 WeakPolarHBondContact O-CG 3.24Å; E287-Q291 PolarHBondContact O-N 3.33Å; E287-R309 IonicContact OE1-CZ 3.87Å; E287-R309 VanDerWaalsContact OE1-CZ 3.27Å; E287-R309 IonicContact OE1-NH1 3.85Å; E287-R309 PolarHBondContact OE1-NH1 3.35Å; E287-R309 IonicContact OE1-NH2 2.72Å; E287-R309 PolarHBondContact OE1-NH2 3.42Å; E287-R309 IonicContact OE2-NH2 3.91Å; E287-I313 HydrophobicContact CG-CD1 4.41Å; E287-I313 HydrophobicContact CG-CG2 4.26Å
288	Q	96.5	Very high	95.7	Very high	25 Å²	25	35.2 Å²	35.2	12%	0.117	18%	0.181	C	C	.	.	H	α-helix	trans	-73.4	-39.1	174.3	-65.2	-61	-66.1	0	0	112.6	V258 I262 F284 F285 F286 I290 Q291 E292	V258-Q288 HydrophobicContact CG1-CB 3.59Å; V258-Q288 HydrophobicContact CG1-CG 3.69Å; I262-Q288 HydrophobicContact CD1-CB 3.59Å; F284-Q288 HydrophobicContact CD1-CG 4.46Å; F284-Q288 HydrophobicContact CE1-CG 4.04Å; F284-Q288 HydrophobicContact CZ-CG 4.43Å; F284-Q288 WeakPolarHBondContact O-CG 3.14Å; F284-Q288 PolarHBondContact O-N 3.11Å; F285-Q288 WeakPolarHBondContact O-CB 3.35Å; F285-Q288 PolarHBondContact O-N 3.43Å; F285-Q288 VanDerWaalsContact O-N 3.13Å; F286-Q288 PolarHBondContact O-N 3.15Å; Q288-I290 VanDerWaalsContact C-N 3.28Å; Q288-I290 PolarHBondContact O-N 3.03Å; Q288-Q291 PolarHBondContact O-N 3.2Å; Q288-E292 WeakPolarHBondContact O-CB 3.34Å; Q288-E292 PolarHBondContact O-N 3.36Å
289	V	97.3	Very high	95.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.9	-42.7	174.2	169.3	0	0	0	0	111.1	I262 F285 F286 E292 N293 L294 W298 I319	I262-V289 HydrophobicContact CD1-CG2 4.21Å; I262-V289 HydrophobicContact CG1-CG2 4.32Å; F285-V289 HydrophobicContact CD1-CG2 4.09Å; F285-V289 HydrophobicContact CD2-CG2 4.31Å; F285-V289 HydrophobicContact CE1-CG2 3.65Å; F285-V289 HydrophobicContact CE2-CG2 3.88Å; F285-V289 HydrophobicContact CG-CG2 4.4Å; F285-V289 HydrophobicContact CZ-CG2 3.54Å; F285-V289 WeakPolarHBondContact O-CG2 3.33Å; F285-V289 PolarHBondContact O-N 3.46Å; F286-V289 HydrophobicContact CD1-CB 4.4Å; F286-V289 HydrophobicContact CD1-CG2 4.4Å; F286-V289 PolarHBondContact O-N 3.07Å; V289-E292 PolarHBondContact O-N 3.36Å; V289-N293 PolarHBondContact O-N 3.18Å; V289-L294 HydrophobicContact CG1-CB 4.04Å; V289-L294 VanDerWaalsContact CG1-O 3.31Å; V289-L294 WeakPolarHBondContact CG1-O 2.98Å; V289-L294 PolarHBondContact O-N 3.48Å; V289-L294 VanDerWaalsContact O-N 3.08Å; V289-W298 HydrophobicContact CG1-CH2 3.87Å; V289-W298 HydrophobicContact CG1-CZ2 3.59Å; V289-W298 HydrophobicContact CG2-CH2 4.17Å; V289-I319 HydrophobicContact CG1-CB 4.13Å; V289-I319 HydrophobicContact CG1-CD1 4.45Å; V289-I319 HydrophobicContact CG1-CG2 3.84Å
290	I	96.8	Very high	96.1	Very high	24 Å²	24	34 Å²	34	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-44.3	176.4	-68.1	163.9	0	0	0	111	F286 Q288 E292 N293 I313 K315 I316 I319	F286-I290 WeakPolarHBondContact O-CD1 3.31Å; F286-I290 VanDerWaalsContact O-CG1 3.23Å; F286-I290 WeakPolarHBondContact O-CG1 3.37Å; F286-I290 PolarHBondContact O-N 3.38Å; Q288-I290 VanDerWaalsContact C-N 3.28Å; Q288-I290 PolarHBondContact O-N 3.03Å; I290-E292 PolarHBondContact O-N 3.3Å; I290-N293 PolarHBondContact O-N 2.94Å; I290-I313 HydrophobicContact CD1-CG2 3.39Å; I290-K315 HydrophobicContact CG2-CB 3.97Å; I290-K315 HydrophobicContact CG2-CD 4.49Å; I290-I316 HydrophobicContact CD1-CB 4.5Å; I290-I316 HydrophobicContact CD1-CD1 4.06Å; I290-I319 HydrophobicContact CB-CG2 4.45Å; I290-I319 HydrophobicContact CD1-CG2 4.43Å; I290-I319 HydrophobicContact CG1-CG2 3.4Å; I290-I319 VanDerWaalsContact CG1-CG2 3.4Å
291	Q	95.8	Very high	96.4	Very high	126 Å²	126	30.7 Å²	30.7	59%	0.589	16%	0.159	S	C	*	.	H	α-helix	trans	-61.3	-34.2	178	-73.9	172.2	21.4	0	0	112.3	E287 Q288 N293	E287-Q291 VanDerWaalsContact O-CG 3.26Å; E287-Q291 WeakPolarHBondContact O-CG 3.24Å; E287-Q291 PolarHBondContact O-N 3.33Å; Q288-Q291 PolarHBondContact O-N 3.2Å; Q291-N293 VanDerWaalsContact C-N 3.34Å
292	E	94.8	Very high	96.3	Very high	80 Å²	80	30.3 Å²	30.3	37%	0.374	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.7	179.9	-72.7	-71.1	158.7	0	0	113.9	I262 R266 Q288 V289 I290 L294	I262-E292 HydrophobicContact CD1-CG 4.34Å; I262-E292 HydrophobicContact CG2-CB 4.05Å; I262-E292 HydrophobicContact CG2-CG 4.08Å; R266-E292 IonicContact CZ-OE2 3.76Å; R266-E292 IonicContact NH1-OE2 3.85Å; R266-E292 PolarHBondContact NH2-O 2.93Å; R266-E292 IonicContact NH2-OE2 3.64Å; R266-E292 PolarHBondContact NH2-OE2 2.97Å; R266-E292 VanDerWaalsContact NH2-OE2 3.11Å; Q288-E292 WeakPolarHBondContact O-CB 3.34Å; Q288-E292 PolarHBondContact O-N 3.36Å; V289-E292 PolarHBondContact O-N 3.36Å; I290-E292 PolarHBondContact O-N 3.3Å; E292-L294 PolarHBondContact O-N 2.92Å
293	N	94.6	Very high	96.1	Very high	143 Å²	143	31 Å²	31	77%	0.765	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	39.9	-176.9	-59.5	-57.1	0	0	0	113.2	V289 I290 Q291	V289-N293 PolarHBondContact O-N 3.18Å; I290-N293 PolarHBondContact O-N 2.94Å; Q291-N293 VanDerWaalsContact C-N 3.34Å
294	L	94.9	Very high	96	Very high	23 Å²	23	31.1 Å²	31.1	12%	0.12	16%	0.162	C	C	.	.			trans	-88.1	125.2	179.6	178.4	67.2	0	0	0	110	I262 I265 V289 E292 W298	I262-L294 HydrophobicContact CG2-CD2 4.16Å; I265-L294 HydrophobicContact CB-CD2 4.34Å; I265-L294 HydrophobicContact CG2-CD1 4.48Å; I265-L294 HydrophobicContact CG2-CD2 3.76Å; V289-L294 HydrophobicContact CG1-CB 4.04Å; V289-L294 VanDerWaalsContact CG1-O 3.31Å; V289-L294 WeakPolarHBondContact CG1-O 2.98Å; V289-L294 PolarHBondContact O-N 3.48Å; V289-L294 VanDerWaalsContact O-N 3.08Å; E292-L294 PolarHBondContact O-N 2.92Å; L294-W298 HydrophobicContact CD2-CH2 3.86Å; L294-W298 HydrophobicContact CG-CH2 4.16Å; L294-W298 HydrophobicContact CG-CZ2 4.35Å
295	T	94.7	Very high	96	Very high	81 Å²	81	28.5 Å²	28.5	50%	0.497	15%	0.15	S	C	.	.			trans	-109.4	149.5	178.1	60.6	0	0	0	0	111.4	D318 I319	T295-D318 WeakPolarHBondContact CG2-O 3.36Å; T295-I319 CarbonylContact C-O 3.49Å; T295-I319 WeakPolarHBondContact CA-O 3.36Å
296	G	94.6	Very high	95.7	Very high	14 Å²	14	29.2 Å²	29.2	14%	0.144	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-171.3	179.7	0	0	0	0	0	113.4	W298 I319 T321	G296-W298 PolarHBondContact O-NE1 2.97Å; G296-I319 PolarHBondContact N-O 3.04Å; G296-T321 PolarHBondContact O-N 3.46Å
297	V	97.1	Very high	95.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.1	167.5	178.7	0	0	0	0	108	W211 K271 V272 V273 I299 T321 M323 W491 P499	W211-V297 HydrophobicContact CH2-CG1 3.97Å; K271-V297 PolarHBondContact O-N 3.48Å; V272-V297 WeakPolarHBondContact CA-O 3.45Å; V272-V297 HydrophobicContact CG2-CB 4.16Å; V273-V297 PolarHBondContact N-O 3.3Å; V297-I299 HydrophobicContact CG1-CD1 3.81Å; V297-T321 CarbonylContact C-O 3.53Å; V297-T321 WeakPolarHBondContact CA-O 3.45Å; V297-M323 HydrophobicContact CG1-CE 3.78Å; V297-W491 HydrophobicContact CG2-CE3 4.48Å; V297-W491 HydrophobicContact CG2-CZ3 4.19Å; V297-P499 HydrophobicContact CG2-CG 3.47Å; V297-P499 VanDerWaalsContact CG2-CG 3.47Å
298	W	97.6	Very high	95.1	Very high	2 Å²	2	30 Å²	30	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.9	-175.5	-48.2	97.3	0	0	0	109.5	V273 V275 F285 F286 V289 L294 G296 I319 T321 I322 M323	V273-W298 HydrophobicContact CB-CE3 3.65Å; V273-W298 HydrophobicContact CB-CZ3 3.65Å; V273-W298 HydrophobicContact CG1-CE3 4.11Å; V273-W298 HydrophobicContact CG1-CZ3 3.93Å; V273-W298 HydrophobicContact CG2-CE3 4.16Å; V273-W298 HydrophobicContact CG2-CH2 4.42Å; V273-W298 HydrophobicContact CG2-CZ3 3.73Å; V273-W298 WeakPolarHBondContact O-CA 3.37Å; V275-W298 HydrophobicContact CG2-CE3 4.46Å; F285-W298 HydrophobicContact CE1-CE3 4.24Å; F285-W298 AromaticContact CE1-CZ3 3.9Å; F285-W298 HydrophobicContact CE1-CZ3 3.9Å; F285-W298 AromaticContact CZ-CZ3 3.92Å; F285-W298 HydrophobicContact CZ-CZ3 3.92Å; F286-W298 HydrophobicContact CE1-CB 4.15Å; F286-W298 AromaticContact CE1-CD2 3.67Å; F286-W298 HydrophobicContact CE1-CD2 3.67Å; F286-W298 AromaticContact CE1-CE3 3.83Å; F286-W298 HydrophobicContact CE1-CE3 3.83Å; F286-W298 AromaticContact CE1-CG 3.78Å; F286-W298 HydrophobicContact CE1-CG 3.78Å; F286-W298 HydrophobicContact CZ-CB 4.07Å; F286-W298 HydrophobicContact CZ-CD2 4.36Å; F286-W298 HydrophobicContact CZ-CE3 4.38Å; F286-W298 HydrophobicContact CZ-CG 4.22Å; V289-W298 HydrophobicContact CG1-CH2 3.87Å; V289-W298 HydrophobicContact CG1-CZ2 3.59Å; V289-W298 HydrophobicContact CG2-CH2 4.17Å; L294-W298 HydrophobicContact CD2-CH2 3.86Å; L294-W298 HydrophobicContact CG-CH2 4.16Å; L294-W298 HydrophobicContact CG-CZ2 4.35Å; G296-W298 PolarHBondContact O-NE1 2.97Å; W298-I319 HydrophobicContact CG-CD1 4.32Å; W298-I319 PolarHBondContact NE1-O 2.93Å; W298-T321 PolarHBondContact N-O 2.92Å; W298-I322 HydrophobicContact CB-CG1 4.22Å; W298-I322 HydrophobicContact CG-CG1 4.42Å; W298-M323 PolarHBondContact O-N 2.99Å; W298-M323 VanDerWaalsContact O-O 3.05Å
299	I	98.3	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	106.9	178.4	-49.3	-56.5	0	0	0	109	M202 L205 M206 W211 V272 V273 I274 V275 V297 M323 F325	M202-I299 HydrophobicContact CE-CG2 4.25Å; M202-I299 HydrophobicContact CG-CG2 4.08Å; L205-I299 HydrophobicContact CD2-CD1 4.18Å; M206-I299 HydrophobicContact CE-CG1 3.85Å; W211-I299 HydrophobicContact CZ3-CD1 4.39Å; V272-I299 HydrophobicContact CG1-CD1 4.5Å; V272-I299 HydrophobicContact CG1-CG1 3.99Å; V273-I299 PolarHBondContact O-N 3.43Å; I274-I299 HydrophobicContact CG1-CB 4.16Å; I274-I299 HydrophobicContact CG1-CG1 4.41Å; V275-I299 PolarHBondContact N-O 3.07Å; V297-I299 HydrophobicContact CG1-CD1 3.81Å; I299-M323 CarbonylContact C-O 3.46Å; I299-M323 VanDerWaalsContact CA-O 3.27Å; I299-M323 WeakPolarHBondContact CA-O 3.42Å; I299-M323 HydrophobicContact CD1-CE 4.48Å; I299-M323 HydrophobicContact CD1-CG 3.38Å; I299-M323 HydrophobicContact CD1-SD 3.71Å; I299-F325 HydrophobicContact CG2-CE2 4.35Å
300	A	97.5	Very high	94.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.5	179.3	0	0	0	0	0	112.3	W304 I305 M323 G324 F325	A300-W304 HydrophobicContact CB-CD2 3.84Å; A300-W304 HydrophobicContact CB-CE3 3.97Å; A300-W304 HydrophobicContact CB-CH2 3.35Å; A300-W304 HydrophobicContact CB-CZ2 3.15Å; A300-W304 HydrophobicContact CB-CZ3 3.75Å; A300-I305 HydrophobicContact CB-CB 3.83Å; A300-I305 HydrophobicContact CB-CD1 3.68Å; A300-I305 HydrophobicContact CB-CG1 4.25Å; A300-M323 PolarHBondContact N-O 3.32Å; A300-G324 VanDerWaalsContact O-CA 3.23Å; A300-G324 WeakPolarHBondContact O-CA 3.09Å; A300-F325 PolarHBondContact O-N 3.47Å
301	S	95.8	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.			trans	-78.5	166.4	162.4	55.6	0	0	0	0	111.2	Y223 V275 S303 W304 I305	Y223-S301 WeakPolarHBondContact OH-CB 3.39Å; Y223-S301 PolarHBondContact OH-OG 3.08Å; V275-S301 PolarHBondContact O-N 3.28Å; V275-S301 PolarHBondContact O-OG 3.22Å; V275-S301 VanDerWaalsContact O-OG 3.09Å; S301-S303 PolarHBondContact O-N 3.12Å; S301-S303 VanDerWaalsContact O-N 3.15Å; S301-S303 PolarHBondContact OG-OG 3.14Å; S301-S303 VanDerWaalsContact OG-OG 3.06Å; S301-W304 PolarHBondContact O-N 3.18Å; S301-I305 PolarHBondContact O-N 3.2Å
302	S	93.6	Very high	94.2	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.035	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.1	-178.3	57.5	0	0	0	0	114	Q198 W304 F325 R388	Q198-S302 VanDerWaalsContact NE2-N 3.11Å; Q198-S302 PolarHBondContact NE2-OG 2.89Å; S302-W304 PolarHBondContact O-N 2.92Å; S302-F325 WeakPolarHBondContact CA-O 3.48Å; S302-F325 WeakPolarHBondContact CB-O 3.31Å; S302-F325 PolarHBondContact N-O 3.29Å; S302-R388 VanDerWaalsContact O-CZ 3.28Å; S302-R388 PolarHBondContact O-NH1 2.68Å; S302-R388 PolarHBondContact O-NH2 2.8Å
303	S	93.3	Very high	94.1	Very high	15 Å²	15	27.7 Å²	27.7	11%	0.105	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.4	176.6	62.6	0	0	0	0	113.1	Y223 A277 S301	Y223-S303 WeakPolarHBondContact OH-CB 3.37Å; Y223-S303 PolarHBondContact OH-OG 3.34Å; A277-S303 PolarHBondContact O-OG 3.27Å; S301-S303 PolarHBondContact O-N 3.12Å; S301-S303 VanDerWaalsContact O-N 3.15Å; S301-S303 PolarHBondContact OG-OG 3.14Å; S301-S303 VanDerWaalsContact OG-OG 3.06Å
304	W	94.4	Very high	94	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-13	-166.7	69	-98.7	0	0	0	116.4	V275 P279 A282 F286 A300 S301 S302 I306 H307 L310 I322 W461	V275-W304 HydrophobicContact CB-CZ2 3.89Å; V275-W304 HydrophobicContact CG1-CZ2 4.26Å; V275-W304 PolarHBondContact O-NE1 2.86Å; P279-W304 HydrophobicContact CG-CB 4.43Å; A282-W304 HydrophobicContact CB-CD2 4.36Å; A282-W304 HydrophobicContact CB-CG 4.1Å; F286-W304 HydrophobicContact CE2-CE3 4.46Å; F286-W304 AromaticContact CE2-CH2 3.39Å; F286-W304 HydrophobicContact CE2-CH2 3.39Å; F286-W304 AromaticContact CE2-CZ2 3.62Å; F286-W304 HydrophobicContact CE2-CZ2 3.62Å; F286-W304 AromaticContact CE2-CZ3 3.87Å; F286-W304 HydrophobicContact CE2-CZ3 3.87Å; F286-W304 AromaticContact CZ-CH2 3.56Å; F286-W304 HydrophobicContact CZ-CH2 3.56Å; F286-W304 AromaticContact CZ-CZ2 3.85Å; F286-W304 HydrophobicContact CZ-CZ2 3.85Å; F286-W304 HydrophobicContact CZ-CZ3 4.38Å; A300-W304 HydrophobicContact CB-CD2 3.84Å; A300-W304 HydrophobicContact CB-CE3 3.97Å; A300-W304 HydrophobicContact CB-CH2 3.35Å; A300-W304 HydrophobicContact CB-CZ2 3.15Å; A300-W304 HydrophobicContact CB-CZ3 3.75Å; S301-W304 PolarHBondContact O-N 3.18Å; S302-W304 PolarHBondContact O-N 2.92Å; W304-I306 PolarHBondContact O-N 2.99Å; W304-H307 HydrophobicContact CB-CB 4.49Å; W304-H307 WeakPolarHBondContact O-CB 3.25Å; W304-H307 PolarHBondContact O-N 3.36Å; W304-L310 HydrophobicContact CB-CD2 4.06Å; W304-L310 HydrophobicContact CB-CG 4.26Å; W304-L310 HydrophobicContact CD2-CG 4.38Å; W304-L310 HydrophobicContact CE3-CB 4.29Å; W304-L310 HydrophobicContact CE3-CD1 4.41Å; W304-L310 HydrophobicContact CE3-CG 3.81Å; W304-I322 HydrophobicContact CH2-CG2 3.85Å; W304-I322 HydrophobicContact CZ3-CG2 3.91Å; W304-W461 HydrophobicContact CZ3-CZ2 4.3Å
305	I	95	Very high	93.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.5	-175.1	-176.2	61.9	0	0	0	115	A300 S301 I322 F325 V326 L459 W461 F471	A300-I305 HydrophobicContact CB-CB 3.83Å; A300-I305 HydrophobicContact CB-CD1 3.68Å; A300-I305 HydrophobicContact CB-CG1 4.25Å; S301-I305 PolarHBondContact O-N 3.2Å; I305-I322 HydrophobicContact CD1-CG2 4.33Å; I305-F325 WeakPolarHBondContact CG2-O 3.37Å; I305-V326 HydrophobicContact CG2-CB 4.18Å; I305-L459 HydrophobicContact CG1-CB 4.47Å; I305-W461 WeakPolarHBondContact O-CZ2 3.49Å; I305-W461 PolarHBondContact O-NE1 3.48Å; I305-F471 WeakPolarHBondContact O-CE1 3.31Å
306	I	92.6	Very high	93.8	Very high	16 Å²	16	27.8 Å²	27.8	8%	0.082	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	16.8	178.2	59.4	163.3	0	0	0	112.6	W304 I311 V326 R388 L459 F471	W304-I306 PolarHBondContact O-N 2.99Å; I306-I311 WeakPolarHBondContact O-CD1 3.08Å; I306-V326 HydrophobicContact CD1-CG2 4.04Å; I306-V326 HydrophobicContact CG1-CG2 4.46Å; I306-R388 HydrophobicContact CD1-CB 4.2Å; I306-L459 HydrophobicContact CG2-CD1 4Å; I306-F471 HydrophobicContact CB-CZ 4.49Å; I306-F471 HydrophobicContact CG2-CD1 4.17Å; I306-F471 HydrophobicContact CG2-CE1 4.02Å; I306-F471 HydrophobicContact CG2-CZ 4.24Å
307	H	91.9	Very high	93.6	Very high	17 Å²	17	32.8 Å²	32.8	8%	0.079	17%	0.169	C	C	.	.			trans	-86.6	126.8	-173	-165.9	-75.9	0	0	0	111.5	Y73 W304 R309 L310 I311	Y73-H307 AromaticContact CE2-CE1 3.96Å; Y73-H307 AromaticContact CZ-CE1 3.79Å; Y73-H307 AromaticContact CZ-NE2 3.87Å; W304-H307 HydrophobicContact CB-CB 4.49Å; W304-H307 WeakPolarHBondContact O-CB 3.25Å; W304-H307 PolarHBondContact O-N 3.36Å; H307-R309 VanDerWaalsContact ND1-CB 3.3Å; H307-R309 WeakPolarHBondContact ND1-CB 3.28Å; H307-R309 PolarHBondContact ND1-N 2.97Å; H307-R309 PolarHBondContact O-N 3.38Å; H307-R309 VanDerWaalsContact O-N 3.13Å; H307-L310 HydrophobicContact CB-CD2 4.5Å; H307-L310 PolarHBondContact O-N 3.49Å; H307-I311 WeakPolarHBondContact O-CG1 3.39Å; H307-I311 PolarHBondContact O-N 3.26Å
308	N	89.4	Confident	93.3	Very high	56 Å²	56	36.9 Å²	36.9	30%	0.299	19%	0.191	S	C	.	.	H	α-helix	trans	-60.6	-29.8	-172.5	-86.5	-19.7	0	0	0	114	Y73 L310 I311 S312 D383	Y73-N308 WeakPolarHBondContact OH-CB 3.23Å; N308-L310 PolarHBondContact O-N 3.49Å; N308-I311 PolarHBondContact O-N 3.32Å; N308-S312 VanDerWaalsContact O-CB 3.26Å; N308-S312 WeakPolarHBondContact O-CB 3.37Å; N308-S312 PolarHBondContact O-N 3.32Å; N308-S312 PolarHBondContact O-OG 3.36Å; N308-D383 PolarHBondContact ND2-OD2 2.87Å
309	R	90.5	Very high	93.1	Very high	84 Å²	84	37 Å²	37	32%	0.317	19%	0.192	S	C	.	.	H	α-helix	trans	-55.6	-34.3	173.4	-179.2	57.5	-177	103.7	-4.7	113.6	E280 A283 E287 H307 I313	E280-R309 IonicContact OE2-NE 2.71Å; A283-R309 HydrophobicContact CB-CG 3.79Å; E287-R309 IonicContact OE1-CZ 3.87Å; E287-R309 VanDerWaalsContact OE1-CZ 3.27Å; E287-R309 IonicContact OE1-NH1 3.85Å; E287-R309 PolarHBondContact OE1-NH1 3.35Å; E287-R309 IonicContact OE1-NH2 2.72Å; E287-R309 PolarHBondContact OE1-NH2 3.42Å; E287-R309 IonicContact OE2-NH2 3.91Å; H307-R309 VanDerWaalsContact ND1-CB 3.3Å; H307-R309 WeakPolarHBondContact ND1-CB 3.28Å; H307-R309 PolarHBondContact ND1-N 2.97Å; H307-R309 PolarHBondContact O-N 3.38Å; H307-R309 VanDerWaalsContact O-N 3.13Å; R309-I313 WeakPolarHBondContact O-CG1 3.24Å
310	L	93.8	Very high	92.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-88.3	-44.2	179.7	-78.8	-62	0	0	0	111.1	P279 A282 A283 F286 W304 H307 N308 S312 I313 W461	P279-L310 HydrophobicContact CB-CD2 4.2Å; P279-L310 WeakPolarHBondContact O-CD2 3.31Å; A282-L310 HydrophobicContact CB-CD1 4.18Å; A283-L310 HydrophobicContact CB-CD1 3.96Å; A283-L310 HydrophobicContact CB-CD2 4.17Å; F286-L310 HydrophobicContact CD2-CD1 3.74Å; F286-L310 HydrophobicContact CE2-CD1 4.43Å; W304-L310 HydrophobicContact CB-CD2 4.06Å; W304-L310 HydrophobicContact CB-CG 4.26Å; W304-L310 HydrophobicContact CD2-CG 4.38Å; W304-L310 HydrophobicContact CE3-CB 4.29Å; W304-L310 HydrophobicContact CE3-CD1 4.41Å; W304-L310 HydrophobicContact CE3-CG 3.81Å; H307-L310 HydrophobicContact CB-CD2 4.5Å; H307-L310 PolarHBondContact O-N 3.49Å; N308-L310 PolarHBondContact O-N 3.49Å; L310-S312 PolarHBondContact O-N 3.26Å; L310-I313 HydrophobicContact CD1-CD1 3.7Å; L310-I313 WeakPolarHBondContact O-CB 3.49Å; L310-I313 WeakPolarHBondContact O-CG1 3.35Å; L310-I313 PolarHBondContact O-N 3.33Å; L310-I313 VanDerWaalsContact O-N 3.1Å; L310-W461 HydrophobicContact CB-CH2 4.02Å
311	I	92.3	Very high	92.8	Very high	28 Å²	28	37.2 Å²	37.2	14%	0.144	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-33.7	179.7	-64.4	158.5	0	0	0	111.5	I306 H307 N308 I313 W461 V469 F471	I306-I311 WeakPolarHBondContact O-CD1 3.08Å; H307-I311 WeakPolarHBondContact O-CG1 3.39Å; H307-I311 PolarHBondContact O-N 3.26Å; N308-I311 PolarHBondContact O-N 3.32Å; I311-I313 VanDerWaalsContact C-N 3.33Å; I311-W461 HydrophobicContact CG1-CH2 3.95Å; I311-W461 HydrophobicContact CG1-CZ2 3.92Å; I311-V469 HydrophobicContact CG2-CB 3.82Å; I311-V469 HydrophobicContact CG2-CG2 3.78Å; I311-F471 HydrophobicContact CD1-CE1 4.36Å; I311-F471 HydrophobicContact CD1-CE2 4.49Å; I311-F471 HydrophobicContact CD1-CZ 3.57Å; I311-F471 HydrophobicContact CG1-CZ 4.08Å
312	S	91.3	Very high	92.9	Very high	86 Å²	86	37.3 Å²	37.3	60%	0.601	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	0.6	-177.2	-50.4	0	0	0	0	113.8	N308 L310 P314	N308-S312 VanDerWaalsContact O-CB 3.26Å; N308-S312 WeakPolarHBondContact O-CB 3.37Å; N308-S312 PolarHBondContact O-N 3.32Å; N308-S312 PolarHBondContact O-OG 3.36Å; L310-S312 PolarHBondContact O-N 3.26Å; S312-P314 WeakPolarHBondContact O-CD 3.41Å
313	I	93.6	Very high	93	Very high	8 Å²	8	37 Å²	37	4%	0.041	19%	0.193	C	C	.	.			trans	-65.4	123.3	179.9	-67	175.6	0	0	0	109.2	A283 F286 E287 I290 R309 L310 I311 K315 I316	A283-I313 HydrophobicContact CB-CD1 4.05Å; F286-I313 HydrophobicContact CB-CD1 4.24Å; E287-I313 HydrophobicContact CG-CD1 4.41Å; E287-I313 HydrophobicContact CG-CG2 4.26Å; I290-I313 HydrophobicContact CD1-CG2 3.39Å; R309-I313 WeakPolarHBondContact O-CG1 3.24Å; L310-I313 HydrophobicContact CD1-CD1 3.7Å; L310-I313 WeakPolarHBondContact O-CB 3.49Å; L310-I313 WeakPolarHBondContact O-CG1 3.35Å; L310-I313 PolarHBondContact O-N 3.33Å; L310-I313 VanDerWaalsContact O-N 3.1Å; I311-I313 VanDerWaalsContact C-N 3.33Å; I313-K315 PolarHBondContact O-N 3.26Å; I313-I316 HydrophobicContact CB-CB 4.09Å; I313-I316 HydrophobicContact CB-CD1 4.34Å; I313-I316 HydrophobicContact CB-CG1 4.46Å; I313-I316 HydrophobicContact CG2-CB 4.29Å; I313-I316 HydrophobicContact CG2-CD1 4.3Å; I313-I316 WeakPolarHBondContact O-CB 3.47Å; I313-I316 WeakPolarHBondContact O-CG2 3.31Å; I313-I316 PolarHBondContact O-N 3.33Å
314	P	91.8	Very high	93.2	Very high	103 Å²	103	36.3 Å²	36.3	67%	0.669	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	136.9	176.8	-21.9	32.9	0	0	0	110.6	S312 I316	S312-P314 WeakPolarHBondContact O-CD 3.41Å; P314-I316 PolarHBondContact O-N 3.32Å
315	K	92.1	Very high	93.2	Very high	140 Å²	140	36.3 Å²	36.3	61%	0.609	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	16.6	179.8	-56.8	-176.9	178.2	-176.3	0	115.5	I290 I313 K317 D318	I290-K315 HydrophobicContact CG2-CB 3.97Å; I290-K315 HydrophobicContact CG2-CD 4.49Å; I313-K315 PolarHBondContact O-N 3.26Å; K315-K317 PolarHBondContact O-N 3.47Å; K315-K317 VanDerWaalsContact O-N 3.07Å; K315-D318 WeakPolarHBondContact CB-OD2 3.16Å; K315-D318 WeakPolarHBondContact O-CB 3.42Å; K315-D318 PolarHBondContact O-N 3.17Å
316	I	92.6	Very high	93.1	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.036	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60	-21.3	175.3	-163.6	63.1	0	0	0	113.2	F286 I290 I313 P314 D318 I319 I322 W461 W463	F286-I316 HydrophobicContact CB-CD1 3.96Å; F286-I316 HydrophobicContact CD1-CD1 4.48Å; F286-I316 HydrophobicContact CG-CD1 4.23Å; I290-I316 HydrophobicContact CD1-CB 4.5Å; I290-I316 HydrophobicContact CD1-CD1 4.06Å; I313-I316 HydrophobicContact CB-CB 4.09Å; I313-I316 HydrophobicContact CB-CD1 4.34Å; I313-I316 HydrophobicContact CB-CG1 4.46Å; I313-I316 HydrophobicContact CG2-CB 4.29Å; I313-I316 HydrophobicContact CG2-CD1 4.3Å; I313-I316 WeakPolarHBondContact O-CB 3.47Å; I313-I316 WeakPolarHBondContact O-CG2 3.31Å; I313-I316 PolarHBondContact O-N 3.33Å; P314-I316 PolarHBondContact O-N 3.32Å; I316-D318 PolarHBondContact O-N 3.06Å; I316-I319 HydrophobicContact CD1-CD1 3.69Å; I316-I319 HydrophobicContact CD1-CG1 4.39Å; I316-I319 WeakPolarHBondContact O-CG1 3.41Å; I316-I322 HydrophobicContact CD1-CD1 4.29Å; I316-I322 HydrophobicContact CG1-CD1 3.96Å; I316-W461 HydrophobicContact CG1-CZ3 3.86Å; I316-W461 HydrophobicContact CG2-CZ3 4.25Å; I316-W463 HydrophobicContact CG2-CH2 4.05Å; I316-W463 HydrophobicContact CG2-CZ3 3.82Å
317	K	90.8	Very high	93.1	Very high	118 Å²	118	36.5 Å²	36.5	51%	0.513	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-68.7	-18.3	173.2	70.9	-179.3	-175.8	171.9	0	114.7	K315 I319 W463	K315-K317 PolarHBondContact O-N 3.47Å; K315-K317 VanDerWaalsContact O-N 3.07Å; K317-I319 VanDerWaalsContact C-N 3.33Å; K317-W463 VanDerWaalsContact CA-CH2 3.46Å; K317-W463 VanDerWaalsContact CA-CZ2 3.49Å; K317-W463 HydrophobicContact CB-CD2 3.52Å; K317-W463 HydrophobicContact CB-CE3 3.56Å; K317-W463 HydrophobicContact CB-CG 4.11Å; K317-W463 HydrophobicContact CB-CH2 3.94Å; K317-W463 HydrophobicContact CB-CZ2 3.96Å; K317-W463 HydrophobicContact CB-CZ3 3.75Å
318	D	91.6	Very high	92.9	Very high	88 Å²	88	41.2 Å²	41.2	47%	0.471	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-84.3	-9.1	-173.1	-59.5	-18.8	0	0	0	112	T295 K315 I316	T295-D318 WeakPolarHBondContact CG2-O 3.36Å; K315-D318 WeakPolarHBondContact CB-OD2 3.16Å; K315-D318 WeakPolarHBondContact O-CB 3.42Å; K315-D318 PolarHBondContact O-N 3.17Å; I316-D318 PolarHBondContact O-N 3.06Å
319	I	93.6	Very high	92.7	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-89.4	1.5	-176.7	73.7	172	0	0	0	114.1	F286 V289 I290 T295 G296 W298 I316 K317 I322	F286-I319 HydrophobicContact CD1-CD1 3.27Å; F286-I319 HydrophobicContact CE1-CD1 3.51Å; F286-I319 HydrophobicContact CG-CD1 4.23Å; V289-I319 HydrophobicContact CG1-CB 4.13Å; V289-I319 HydrophobicContact CG1-CD1 4.45Å; V289-I319 HydrophobicContact CG1-CG2 3.84Å; I290-I319 HydrophobicContact CB-CG2 4.45Å; I290-I319 HydrophobicContact CD1-CG2 4.43Å; I290-I319 HydrophobicContact CG1-CG2 3.4Å; I290-I319 VanDerWaalsContact CG1-CG2 3.4Å; T295-I319 CarbonylContact C-O 3.49Å; T295-I319 WeakPolarHBondContact CA-O 3.36Å; G296-I319 PolarHBondContact N-O 3.04Å; W298-I319 HydrophobicContact CG-CD1 4.32Å; W298-I319 PolarHBondContact NE1-O 2.93Å; I316-I319 HydrophobicContact CD1-CD1 3.69Å; I316-I319 HydrophobicContact CD1-CG1 4.39Å; I316-I319 WeakPolarHBondContact O-CG1 3.41Å; K317-I319 VanDerWaalsContact C-N 3.33Å; I319-I322 HydrophobicContact CD1-CD1 4.01Å; I319-I322 HydrophobicContact CD1-CG1 4.44Å; I319-I322 HydrophobicContact CG1-CD1 4.29Å
320	G	93.6	Very high	92.2	Very high	6 Å²	6	38.8 Å²	38.8	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.5	-139.5	178.8	0	0	0	0	0	113.7	H492	G320-H492 WeakPolarHBondContact CA-O 3.12Å
321	T	95.4	Very high	91.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.3	-170.8	-52.3	0	0	0	0	110.4	G296 V297 W298 M323 E460 W491 H492	G296-T321 PolarHBondContact O-N 3.46Å; V297-T321 CarbonylContact C-O 3.53Å; V297-T321 WeakPolarHBondContact CA-O 3.45Å; W298-T321 PolarHBondContact N-O 2.92Å; T321-M323 HydrophobicContact CG2-CE 3.77Å; T321-E460 HydrophobicContact CG2-CG 4.49Å; T321-W491 HydrophobicContact CG2-CE3 4.41Å; T321-H492 PolarHBondContact OG1-N 2.85Å
322	I	96.9	Very high	91.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.8	173.9	-58	173	0	0	0	108	W298 W304 I305 I316 I319 W461 W463	W298-I322 HydrophobicContact CB-CG1 4.22Å; W298-I322 HydrophobicContact CG-CG1 4.42Å; W304-I322 HydrophobicContact CH2-CG2 3.85Å; W304-I322 HydrophobicContact CZ3-CG2 3.91Å; I305-I322 HydrophobicContact CD1-CG2 4.33Å; I316-I322 HydrophobicContact CD1-CD1 4.29Å; I316-I322 HydrophobicContact CG1-CD1 3.96Å; I319-I322 HydrophobicContact CD1-CD1 4.01Å; I319-I322 HydrophobicContact CD1-CG1 4.44Å; I319-I322 HydrophobicContact CG1-CD1 4.29Å; I322-W461 HydrophobicContact CB-CB 4.16Å; I322-W461 HydrophobicContact CB-CD2 4.01Å; I322-W461 HydrophobicContact CB-CE3 4.21Å; I322-W461 HydrophobicContact CB-CG 4.01Å; I322-W461 HydrophobicContact CD1-CD2 4.22Å; I322-W461 HydrophobicContact CD1-CE3 3.58Å; I322-W461 HydrophobicContact CD1-CH2 4.43Å; I322-W461 HydrophobicContact CD1-CZ3 3.7Å; I322-W461 HydrophobicContact CG1-CE3 4.46Å; I322-W461 HydrophobicContact CG2-CD2 3.86Å; I322-W461 HydrophobicContact CG2-CE3 4.3Å; I322-W461 HydrophobicContact CG2-CG 4.04Å; I322-W461 HydrophobicContact CG2-CZ2 4.48Å; I322-W461 PolarHBondContact O-N 3.05Å; I322-W463 HydrophobicContact CD1-CH2 4.37Å
323	M	96.7	Very high	91.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	160	174.4	67.8	-178.3	79.9	0	0	109.8	L205 W211 V297 W298 I299 A300 T321 L459 E460 F489 W491	L205-M323 HydrophobicContact CD2-SD 4Å; W211-M323 HydrophobicContact CH2-CE 4.35Å; V297-M323 HydrophobicContact CG1-CE 3.78Å; W298-M323 PolarHBondContact O-N 2.99Å; W298-M323 VanDerWaalsContact O-O 3.05Å; I299-M323 CarbonylContact C-O 3.46Å; I299-M323 VanDerWaalsContact CA-O 3.27Å; I299-M323 WeakPolarHBondContact CA-O 3.42Å; I299-M323 HydrophobicContact CD1-CE 4.48Å; I299-M323 HydrophobicContact CD1-CG 3.38Å; I299-M323 HydrophobicContact CD1-SD 3.71Å; A300-M323 PolarHBondContact N-O 3.32Å; T321-M323 HydrophobicContact CG2-CE 3.77Å; M323-L459 CarbonylContact C-O 3.22Å; M323-L459 WeakPolarHBondContact CA-O 3.49Å; M323-L459 WeakPolarHBondContact CB-O 3.37Å; M323-E460 HydrophobicContact CB-CB 4.38Å; M323-F489 HydrophobicContact CE-CD1 4.26Å; M323-F489 HydrophobicContact CE-CE1 4.3Å; M323-F489 HydrophobicContact SD-CD1 4.49Å; M323-F489 HydrophobicContact SD-CE1 3.95Å; M323-W491 HydrophobicContact CE-CH2 3.78Å; M323-W491 HydrophobicContact CE-CZ3 3.58Å
324	G	96.4	Very high	91	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-176.2	178.4	0	0	0	0	0	113.9	A300 L459	A300-G324 VanDerWaalsContact O-CA 3.23Å; A300-G324 WeakPolarHBondContact O-CA 3.09Å; G324-L459 PolarHBondContact N-O 3.17Å; G324-L459 PolarHBondContact O-N 3.25Å
325	F	95.1	Very high	91	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135	-167.9	-63.7	-88.5	0	0	0	110.8	Q198 A201 M202 L205 I299 A300 S302 I305 Y456 K457 L458 L482	Q198-F325 HydrophobicContact CG-CB 4.24Å; Q198-F325 HydrophobicContact CG-CD2 4.35Å; Q198-F325 HydrophobicContact CG-CG 4.41Å; A201-F325 HydrophobicContact CB-CD1 4.06Å; A201-F325 HydrophobicContact CB-CE1 3.46Å; A201-F325 VanDerWaalsContact CB-CE1 3.46Å; A201-F325 HydrophobicContact CB-CZ 3.74Å; M202-F325 HydrophobicContact CB-CE2 4.26Å; M202-F325 HydrophobicContact CE-CD2 4.04Å; M202-F325 HydrophobicContact CE-CE2 4.5Å; M202-F325 HydrophobicContact CG-CD2 3.84Å; M202-F325 HydrophobicContact CG-CE2 3.4Å; M202-F325 VanDerWaalsContact CG-CE2 3.4Å; M202-F325 HydrophobicContact CG-CZ 4.32Å; L205-F325 HydrophobicContact CD2-CE2 4.42Å; L205-F325 HydrophobicContact CD2-CZ 4.28Å; I299-F325 HydrophobicContact CG2-CE2 4.35Å; A300-F325 PolarHBondContact O-N 3.47Å; S302-F325 WeakPolarHBondContact CA-O 3.48Å; S302-F325 WeakPolarHBondContact CB-O 3.31Å; S302-F325 PolarHBondContact N-O 3.29Å; I305-F325 WeakPolarHBondContact CG2-O 3.37Å; F325-Y456 HydrophobicContact CB-CD1 3.82Å; F325-Y456 HydrophobicContact CB-CG 4.14Å; F325-K457 CarbonylContact C-O 3.28Å; F325-K457 WeakPolarHBondContact CA-O 3.46Å; F325-L458 HydrophobicContact CD1-CB 4.46Å; F325-L458 HydrophobicContact CD1-CD1 4.25Å; F325-L458 HydrophobicContact CD2-CD1 4.4Å; F325-L458 HydrophobicContact CE1-CB 4.25Å; F325-L458 HydrophobicContact CE1-CD1 3.91Å; F325-L458 HydrophobicContact CE2-CD1 4.06Å; F325-L458 HydrophobicContact CG-CD1 4.49Å; F325-L458 HydrophobicContact CZ-CD1 3.83Å; F325-L482 HydrophobicContact CE1-CD1 4.03Å
326	V	93.9	Very high	91	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.073	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.4	171.9	69.4	0	0	0	0	109.3	I305 I306 R388 Y456 K457 L459	I305-V326 HydrophobicContact CG2-CB 4.18Å; I306-V326 HydrophobicContact CD1-CG2 4.04Å; I306-V326 HydrophobicContact CG1-CG2 4.46Å; V326-R388 VanDerWaalsContact CG2-CD 3.44Å; V326-Y456 CarbonylContact O-C 3.54Å; V326-Y456 VanDerWaalsContact O-CA 3.3Å; V326-Y456 WeakPolarHBondContact O-CA 3.26Å; V326-K457 HydrophobicContact CG1-CB 3.79Å; V326-K457 PolarHBondContact N-O 3.35Å; V326-K457 PolarHBondContact O-N 3.02Å; V326-L459 HydrophobicContact CB-CD1 4.04Å; V326-L459 HydrophobicContact CG1-CD1 3.5Å; V326-L459 HydrophobicContact CG1-CD2 4.41Å; V326-L459 HydrophobicContact CG1-CG 3.74Å
327	D	91.3	Very high	91.1	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	138.4	-179.9	-36.1	-68.6	0	0	0	110	P193 L329 R388 Y456	P193-D327 WeakPolarHBondContact CD-OD1 3.27Å; P193-D327 HydrophobicContact CG-CB 4.23Å; D327-L329 HydrophobicContact CB-CD1 4.15Å; D327-L329 HydrophobicContact CB-CG 4.01Å; D327-L329 PolarHBondContact O-N 3.06Å; D327-R388 IonicContact OD2-CZ 2.68Å; D327-R388 IonicContact OD2-NE 3.1Å; D327-R388 IonicContact OD2-NH1 3.88Å; D327-R388 PolarHBondContact OD2-NH1 3.05Å; D327-Y456 WeakPolarHBondContact OD1-CE1 3.42Å
328	K	88	Confident	91.2	Very high	116 Å²	116	34.5 Å²	34.5	50%	0.504	19%	0.186	S	C	.	.			trans	-80.9	62.8	-178.9	-166.6	-171.2	177.1	-172.6	0	111.1	V454 G455 K457	K328-V454 HydrophobicContact CB-CG1 4.35Å; K328-G455 WeakPolarHBondContact CB-O 3.23Å; K328-G455 PolarHBondContact N-O 3.38Å; K328-K457 HydrophobicContact CB-CG 4.48Å; K328-K457 HydrophobicContact CG-CG 4.32Å
329	L	85.1	Confident	91.3	Very high	19 Å²	19	30.5 Å²	30.5	10%	0.099	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-97.2	151.5	176.7	-57.6	174.7	0	0	0	111.1	V192 D327 R388 F391 A392 V454	V192-L329 HydrophobicContact CG1-CD1 4.49Å; D327-L329 HydrophobicContact CB-CD1 4.15Å; D327-L329 HydrophobicContact CB-CG 4.01Å; D327-L329 PolarHBondContact O-N 3.06Å; L329-R388 HydrophobicContact CD1-CG 4.21Å; L329-R388 WeakPolarHBondContact CD1-O 3.45Å; L329-F391 HydrophobicContact CB-CB 4.29Å; L329-F391 HydrophobicContact CB-CD1 3.95Å; L329-F391 HydrophobicContact CB-CG 4.38Å; L329-F391 HydrophobicContact CD2-CD1 3.92Å; L329-F391 HydrophobicContact CD2-CE1 4.35Å; L329-F391 HydrophobicContact CG-CD1 4.41Å; L329-A392 HydrophobicContact CD1-CB 3.92Å; L329-V454 HydrophobicContact CD2-CG1 3.83Å; L329-V454 HydrophobicContact CD2-CG2 4.2Å
330	D	81.1	Confident	91.3	Very high	71 Å²	71	34.8 Å²	34.8	38%	0.38	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-85.6	173.3	177.6	-68.2	-42.4	0	0	0	112.1	F391 T442	D330-F391 HydrophobicContact CB-CD2 3.92Å; D330-F391 HydrophobicContact CB-CE2 3.71Å; D330-F391 HydrophobicContact CB-CZ 4.14Å; D330-F391 WeakPolarHBondContact O-CB 3.05Å; D330-F391 WeakPolarHBondContact O-CG 3.41Å; D330-T442 WeakPolarHBondContact OD2-CB 3.35Å; D330-T442 PolarHBondContact OD2-OG1 3.49Å
331	S	81.8	Confident	91.3	Very high	77 Å²	77	35 Å²	35	54%	0.538	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-97.5	151.8	173.4	53.5	0	0	0	0	111.7
332	L	87.8	Confident	91.2	Very high	21 Å²	21	35 Å²	35	11%	0.11	19%	0.187	C	C	.	.			trans	-94.4	102.7	174.4	-61	174.4	0	0	0	109.9	V80 Y83 L334 L335 F391 Y394	V80-L332 HydrophobicContact CG1-CD1 3.85Å; Y83-L332 HydrophobicContact CD1-CD1 4.34Å; Y83-L332 HydrophobicContact CE1-CD1 4.18Å; L332-L334 VanDerWaalsContact C-N 3.32Å; L332-L334 PolarHBondContact O-N 3.5Å; L332-L335 HydrophobicContact CB-CB 3.76Å; L332-L335 HydrophobicContact CB-CD2 4.49Å; L332-L335 HydrophobicContact CD1-CD2 4.34Å; L332-L335 WeakPolarHBondContact O-CB 3.38Å; L332-L335 PolarHBondContact O-N 3.31Å; L332-F391 HydrophobicContact CD2-CD2 3.81Å; L332-F391 HydrophobicContact CD2-CE2 4.48Å; L332-F391 HydrophobicContact CG-CD2 4.41Å; L332-Y394 HydrophobicContact CD1-CD2 4.09Å; L332-Y394 HydrophobicContact CD1-CG 4.05Å; L332-Y394 HydrophobicContact CD2-CD1 3.82Å; L332-Y394 HydrophobicContact CD2-CD2 3.99Å; L332-Y394 HydrophobicContact CD2-CE1 4.17Å; L332-Y394 HydrophobicContact CD2-CE2 4.3Å; L332-Y394 HydrophobicContact CD2-CG 3.72Å
333	D	85.7	Confident	91.1	Very high	128 Å²	128	35.2 Å²	35.2	68%	0.684	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.8	-171.9	-65.4	-24.7	0	0	0	113.5
334	L	90.8	Very high	90.9	Very high	49 Å²	49	41.5 Å²	41.5	26%	0.257	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.6	-177.6	-64.8	176.6	0	0	0	114.2	P24 Y83 L332 N336 N337 Y338	P24-L334 HydrophobicContact CG-CD1 4.08Å; Y83-L334 HydrophobicContact CE2-CB 4.44Å; L332-L334 VanDerWaalsContact C-N 3.32Å; L332-L334 PolarHBondContact O-N 3.5Å; L334-N336 VanDerWaalsContact C-N 3.31Å; L334-N336 PolarHBondContact O-N 3.02Å; L334-N337 PolarHBondContact O-N 2.83Å; L334-Y338 VanDerWaalsContact O-CB 3.31Å; L334-Y338 WeakPolarHBondContact O-CB 3.28Å; L334-Y338 PolarHBondContact O-N 3.32Å
335	L	91.6	Very high	90.6	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-42	-175.3	175.8	63.2	0	0	0	111.8	V80 Y83 L332 Y338 A339 V381	V80-L335 HydrophobicContact CG2-CD1 3.88Å; V80-L335 HydrophobicContact CG2-CD2 3.89Å; Y83-L335 HydrophobicContact CD1-CD1 4.07Å; Y83-L335 HydrophobicContact CG-CD1 4.13Å; L332-L335 HydrophobicContact CB-CB 3.76Å; L332-L335 HydrophobicContact CB-CD2 4.49Å; L332-L335 HydrophobicContact CD1-CD2 4.34Å; L332-L335 WeakPolarHBondContact O-CB 3.38Å; L332-L335 PolarHBondContact O-N 3.31Å; L335-Y338 PolarHBondContact O-N 3.44Å; L335-A339 VanDerWaalsContact O-CB 3.3Å; L335-A339 WeakPolarHBondContact O-CB 3.1Å; L335-A339 PolarHBondContact O-N 3.01Å; L335-V381 HydrophobicContact CD1-CG1 4.41Å; L335-V381 HydrophobicContact CD2-CB 4.13Å; L335-V381 HydrophobicContact CG-CB 4.15Å; L335-V381 HydrophobicContact CG-CG1 4.42Å
336	N	92.1	Very high	90.4	Very high	42 Å²	42	44.8 Å²	44.8	23%	0.225	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-49.9	178.5	-79.8	1.5	0	0	0	111.4	L334 Y338 A339 E340 N382	L334-N336 VanDerWaalsContact C-N 3.31Å; L334-N336 PolarHBondContact O-N 3.02Å; N336-Y338 VanDerWaalsContact C-N 3.26Å; N336-Y338 PolarHBondContact O-N 3.37Å; N336-A339 PolarHBondContact O-N 2.89Å; N336-E340 WeakPolarHBondContact O-CG 3.42Å; N336-E340 PolarHBondContact O-N 3.25Å; N336-N382 PolarHBondContact ND2-OD1 3.29Å; N336-N382 PolarHBondContact OD1-OD1 3.45Å
337	N	92.9	Very high	90.3	Very high	79 Å²	79	45 Å²	45	42%	0.422	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-40.9	178.3	-61.5	79.7	0	0	0	111.4	F27 L334 A341	F27-N337 HydrophobicContact CE2-CB 4Å; F27-N337 HydrophobicContact CZ-CB 4.43Å; L334-N337 PolarHBondContact O-N 2.83Å; N337-A341 WeakPolarHBondContact O-CB 3.36Å; N337-A341 PolarHBondContact O-N 3.41Å; N337-A341 VanDerWaalsContact O-N 3.08Å
338	Y	93.7	Very high	90.2	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-48.1	176.7	172.1	-96.4	0	0	0	111.6	W26 F27 I30 K82 Y83 D86 L334 L335 N336 E340 A341 L342	W26-Y338 AromaticContact CH2-CD2 3.67Å; W26-Y338 HydrophobicContact CH2-CD2 3.67Å; W26-Y338 HydrophobicContact CH2-CE2 4.02Å; W26-Y338 AromaticContact CZ3-CD2 3.73Å; W26-Y338 HydrophobicContact CZ3-CD2 3.73Å; W26-Y338 AromaticContact CZ3-CE2 3.7Å; W26-Y338 HydrophobicContact CZ3-CE2 3.7Å; F27-Y338 HydrophobicContact CE1-CD2 4.25Å; F27-Y338 HydrophobicContact CZ-CD2 4.36Å; I30-Y338 HydrophobicContact CG2-CE2 3.76Å; K82-Y338 WeakPolarHBondContact CE-OH 3.2Å; K82-Y338 WeakPolarHBondContact CG-OH 3.48Å; Y83-Y338 AromaticContact CD2-CD1 3.56Å; Y83-Y338 HydrophobicContact CD2-CD1 3.56Å; Y83-Y338 AromaticContact CD2-CD2 3.76Å; Y83-Y338 HydrophobicContact CD2-CD2 3.76Å; Y83-Y338 HydrophobicContact CD2-CE1 4.14Å; Y83-Y338 HydrophobicContact CD2-CE2 4.31Å; Y83-Y338 AromaticContact CD2-CG 3.35Å; Y83-Y338 HydrophobicContact CD2-CG 3.35Å; Y83-Y338 HydrophobicContact CE2-CD2 4.44Å; Y83-Y338 HydrophobicContact CE2-CG 4.08Å; Y83-Y338 AromaticContact CG-CD1 3.92Å; Y83-Y338 HydrophobicContact CG-CD1 3.92Å; Y83-Y338 HydrophobicContact CG-CE1 4.31Å; Y83-Y338 HydrophobicContact CG-CG 4.19Å; D86-Y338 HydrophobicContact CB-CE2 4.27Å; D86-Y338 PolarHBondContact OD2-OH 2.87Å; L334-Y338 VanDerWaalsContact O-CB 3.31Å; L334-Y338 WeakPolarHBondContact O-CB 3.28Å; L334-Y338 PolarHBondContact O-N 3.32Å; L335-Y338 PolarHBondContact O-N 3.44Å; N336-Y338 VanDerWaalsContact C-N 3.26Å; N336-Y338 PolarHBondContact O-N 3.37Å; Y338-E340 VanDerWaalsContact C-N 3.33Å; Y338-E340 PolarHBondContact O-N 2.86Å; Y338-A341 PolarHBondContact O-N 2.94Å; Y338-L342 HydrophobicContact CE1-CD2 4.06Å; Y338-L342 WeakPolarHBondContact O-CB 3.12Å; Y338-L342 PolarHBondContact O-N 3.42Å
339	A	93.9	Very high	90.2	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-41.8	178.5	0	0	0	0	0	111.4	L335 N336 A341 L342 L343 I378 V381	L335-A339 VanDerWaalsContact O-CB 3.3Å; L335-A339 WeakPolarHBondContact O-CB 3.1Å; L335-A339 PolarHBondContact O-N 3.01Å; N336-A339 PolarHBondContact O-N 2.89Å; A339-A341 PolarHBondContact O-N 3.36Å; A339-L342 PolarHBondContact O-N 3.33Å; A339-L343 VanDerWaalsContact O-CB 3.26Å; A339-L343 WeakPolarHBondContact O-CB 3.37Å; A339-L343 WeakPolarHBondContact O-CD1 3.3Å; A339-L343 WeakPolarHBondContact O-CG 3.45Å; A339-L343 PolarHBondContact O-N 3.21Å; A339-I378 HydrophobicContact CB-CD1 3.76Å; A339-V381 HydrophobicContact CB-CB 4.4Å; A339-V381 HydrophobicContact CB-CG1 4.03Å; A339-V381 HydrophobicContact CB-CG2 3.58Å
340	E	93.2	Very high	90.3	Very high	92 Å²	92	48.2 Å²	48.2	43%	0.43	24%	0.242	S	C	.	.	H	α-helix	trans	-59.3	-44.7	173.8	-73.9	178.5	-176.3	0	0	112.1	N336 Y338 R344 I378	N336-E340 WeakPolarHBondContact O-CG 3.42Å; N336-E340 PolarHBondContact O-N 3.25Å; Y338-E340 VanDerWaalsContact C-N 3.33Å; Y338-E340 PolarHBondContact O-N 2.86Å; E340-R344 VanDerWaalsContact O-CB 3.27Å; E340-R344 WeakPolarHBondContact O-CB 3.46Å; E340-R344 PolarHBondContact O-N 3.06Å; E340-I378 HydrophobicContact CG-CD1 3.56Å; E340-I378 HydrophobicContact CG-CG1 4.06Å
341	A	93.4	Very high	90.4	Very high	11 Å²	11	51.2 Å²	51.2	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-44.5	177.6	0	0	0	0	0	111.9	F27 I30 N337 Y338 A339 R344 K345	F27-A341 HydrophobicContact CD2-CB 3.92Å; I30-A341 HydrophobicContact CD1-CB 4.19Å; N337-A341 WeakPolarHBondContact O-CB 3.36Å; N337-A341 PolarHBondContact O-N 3.41Å; N337-A341 VanDerWaalsContact O-N 3.08Å; Y338-A341 PolarHBondContact O-N 2.94Å; A339-A341 PolarHBondContact O-N 3.36Å; A341-R344 PolarHBondContact O-N 3.48Å; A341-K345 WeakPolarHBondContact O-CB 3.04Å; A341-K345 PolarHBondContact O-N 3.16Å
342	L	94	Very high	90.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-49.4	177.4	176.7	61.3	0	0	0	111.8	I30 L34 L79 K82 Y338 A339 R344 K345 I346	I30-L342 HydrophobicContact CD1-CB 4.19Å; L34-L342 HydrophobicContact CD2-CD1 4.43Å; L34-L342 HydrophobicContact CD2-CD2 4Å; L34-L342 HydrophobicContact CD2-CG 4.5Å; L79-L342 HydrophobicContact CD2-CD2 3.93Å; K82-L342 HydrophobicContact CD-CD2 4.02Å; Y338-L342 HydrophobicContact CE1-CD2 4.06Å; Y338-L342 WeakPolarHBondContact O-CB 3.12Å; Y338-L342 PolarHBondContact O-N 3.42Å; A339-L342 PolarHBondContact O-N 3.33Å; L342-R344 VanDerWaalsContact C-N 3.3Å; L342-R344 PolarHBondContact O-N 2.74Å; L342-K345 PolarHBondContact O-N 3.4Å; L342-I346 HydrophobicContact CD1-CD1 4.1Å; L342-I346 HydrophobicContact CD1-CG1 4.4Å; L342-I346 HydrophobicContact CG-CD1 4.01Å; L342-I346 WeakPolarHBondContact O-CG1 3.49Å; L342-I346 PolarHBondContact O-N 3.27Å
343	L	93.7	Very high	89.9	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-36.9	-179.9	-70.2	170.6	0	0	0	111.9	A339 S347 L373 P375 I378	A339-L343 VanDerWaalsContact O-CB 3.26Å; A339-L343 WeakPolarHBondContact O-CB 3.37Å; A339-L343 WeakPolarHBondContact O-CD1 3.3Å; A339-L343 WeakPolarHBondContact O-CG 3.45Å; A339-L343 PolarHBondContact O-N 3.21Å; L343-S347 PolarHBondContact O-N 2.88Å; L343-S347 VanDerWaalsContact O-N 3.13Å; L343-L373 HydrophobicContact CD2-CB 3.73Å; L343-L373 HydrophobicContact CD2-CD1 4.37Å; L343-L373 HydrophobicContact CD2-CG 4.48Å; L343-P375 HydrophobicContact CB-CG 4.49Å; L343-I378 HydrophobicContact CD1-CD1 4.26Å
344	R	92.9	Very high	88.7	Confident	131 Å²	131	54.3 Å²	54.3	49%	0.494	28%	0.277	S	S	.	.	H	α-helix	trans	-63.8	-47.5	172.9	-177.4	174	63.9	-127.5	-2.2	111.1	E340 A341 L342 I346 S347 E348 P375	E340-R344 VanDerWaalsContact O-CB 3.27Å; E340-R344 WeakPolarHBondContact O-CB 3.46Å; E340-R344 PolarHBondContact O-N 3.06Å; A341-R344 PolarHBondContact O-N 3.48Å; L342-R344 VanDerWaalsContact C-N 3.3Å; L342-R344 PolarHBondContact O-N 2.74Å; R344-I346 VanDerWaalsContact C-N 3.33Å; R344-I346 PolarHBondContact O-N 3.41Å; R344-S347 WeakPolarHBondContact O-CB 3.16Å; R344-S347 PolarHBondContact O-N 3.42Å; R344-S347 VanDerWaalsContact O-N 3.09Å; R344-E348 HydrophobicContact CG-CG 4.41Å; R344-E348 VanDerWaalsContact CG-OE1 3.31Å; R344-E348 WeakPolarHBondContact CG-OE1 3.22Å; R344-E348 IonicContact NE-OE1 2.93Å; R344-E348 WeakPolarHBondContact O-CG 3.01Å; R344-E348 PolarHBondContact O-N 2.84Å; R344-P375 HydrophobicContact CB-CG 4.32Å
345	K	91.3	Very high	87	Confident	67 Å²	67	58.6 Å²	58.6	29%	0.291	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-39	179.2	-162.6	172.6	-170.9	165.6	0	112.5	Q28 I30 T32 A341 L342 S347 E348 E349	Q28-K345 PolarHBondContact O-NZ 2.98Å; I30-K345 HydrophobicContact CD1-CD 4.36Å; I30-K345 HydrophobicContact CG1-CD 3.74Å; I30-K345 WeakPolarHBondContact O-CD 3.47Å; I30-K345 VanDerWaalsContact O-CE 3.28Å; I30-K345 WeakPolarHBondContact O-CE 3.3Å; I30-K345 PolarHBondContact O-NZ 3.38Å; T32-K345 HydrophobicContact CG2-CB 4.21Å; T32-K345 HydrophobicContact CG2-CD 4.26Å; T32-K345 HydrophobicContact CG2-CG 3.84Å; A341-K345 WeakPolarHBondContact O-CB 3.04Å; A341-K345 PolarHBondContact O-N 3.16Å; L342-K345 PolarHBondContact O-N 3.4Å; K345-S347 VanDerWaalsContact C-N 3.35Å; K345-E348 PolarHBondContact O-N 3.34Å; K345-E349 WeakPolarHBondContact O-CB 3.32Å; K345-E349 PolarHBondContact O-N 3.16Å
346	I	90.7	Very high	85.5	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.015	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-42.9	173.4	-68.7	166	0	0	0	110.9	T32 L34 L342 R344 R350	T32-I346 HydrophobicContact CG2-CG1 3.92Å; L34-I346 HydrophobicContact CD2-CD1 3.94Å; L34-I346 HydrophobicContact CG-CD1 4.49Å; L342-I346 HydrophobicContact CD1-CD1 4.1Å; L342-I346 HydrophobicContact CD1-CG1 4.4Å; L342-I346 HydrophobicContact CG-CD1 4.01Å; L342-I346 WeakPolarHBondContact O-CG1 3.49Å; L342-I346 PolarHBondContact O-N 3.27Å; R344-I346 VanDerWaalsContact C-N 3.33Å; R344-I346 PolarHBondContact O-N 3.41Å; I346-R350 WeakPolarHBondContact O-CB 3.31Å; I346-R350 PolarHBondContact O-N 3.25Å
347	S	90.4	Very high	83.7	Confident	18 Å²	18	69.2 Å²	69.2	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-46.3	176.3	-164.4	0	0	0	0	112.1	L343 R344 K345 R350 E351	L343-S347 PolarHBondContact O-N 2.88Å; L343-S347 VanDerWaalsContact O-N 3.13Å; R344-S347 WeakPolarHBondContact O-CB 3.16Å; R344-S347 PolarHBondContact O-N 3.42Å; R344-S347 VanDerWaalsContact O-N 3.09Å; K345-S347 VanDerWaalsContact C-N 3.35Å; S347-R350 PolarHBondContact O-N 3.39Å; S347-R350 PolarHBondContact OG-NH2 3.45Å; S347-R350 VanDerWaalsContact OG-NH2 3.11Å; S347-E351 WeakPolarHBondContact O-CG 3.34Å; S347-E351 PolarHBondContact O-N 3.43Å; S347-E351 PolarHBondContact OG-OE1 3.15Å
348	E	89.9	Confident	82	Confident	91 Å²	91	67.4 Å²	67.4	43%	0.425	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-42.7	178.7	-71.2	169.4	-177.8	0	0	111.7	R344 K345 E351 N352	R344-E348 HydrophobicContact CG-CG 4.41Å; R344-E348 VanDerWaalsContact CG-OE1 3.31Å; R344-E348 WeakPolarHBondContact CG-OE1 3.22Å; R344-E348 IonicContact NE-OE1 2.93Å; R344-E348 WeakPolarHBondContact O-CG 3.01Å; R344-E348 PolarHBondContact O-N 2.84Å; K345-E348 PolarHBondContact O-N 3.34Å; E348-E351 PolarHBondContact O-N 2.83Å; E348-N352 WeakPolarHBondContact O-CB 3.03Å; E348-N352 VanDerWaalsContact O-CG 3.29Å; E348-N352 PolarHBondContact O-N 2.99Å; E348-N352 PolarHBondContact O-ND2 3.48Å; E348-N352 VanDerWaalsContact O-ND2 3.09Å
349	E	87.8	Confident	80.1	Confident	60 Å²	60	75.8 Å²	75.8	28%	0.28	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-39.9	177.2	-170.9	174.9	162.1	0	0	112	T32 K345 E351 N352 N353 W371	T32-E349 WeakPolarHBondContact CB-OE2 3.26Å; T32-E349 HydrophobicContact CG2-CB 4.5Å; T32-E349 WeakPolarHBondContact CG2-OE2 3.33Å; T32-E349 PolarHBondContact OG1-OE2 3.09Å; K345-E349 WeakPolarHBondContact O-CB 3.32Å; K345-E349 PolarHBondContact O-N 3.16Å; E349-E351 VanDerWaalsContact C-N 3.33Å; E349-E351 PolarHBondContact O-N 2.71Å; E349-N352 PolarHBondContact O-N 3.26Å; E349-N353 WeakPolarHBondContact O-CB 3.38Å; E349-N353 PolarHBondContact O-N 3.04Å; E349-W371 HydrophobicContact CG-CH2 4.17Å
350	R	86.8	Confident	78	Confident	57 Å²	57	80.1 Å²	80.1	22%	0.215	41%	0.414	C	S	.	.	H	α-helix	trans	-61.7	-41.3	174.4	179.1	-179.6	65.9	-136.1	-1.3	111.9	I346 S347 A354 W371 Y372 L373	I346-R350 WeakPolarHBondContact O-CB 3.31Å; I346-R350 PolarHBondContact O-N 3.25Å; S347-R350 PolarHBondContact O-N 3.39Å; S347-R350 PolarHBondContact OG-NH2 3.45Å; S347-R350 VanDerWaalsContact OG-NH2 3.11Å; R350-A354 PolarHBondContact O-N 2.89Å; R350-W371 HydrophobicContact CB-CZ2 4.12Å; R350-W371 PolarHBondContact NH1-O 3.43Å; R350-W371 VanDerWaalsContact NH1-O 3.13Å; R350-Y372 VanDerWaalsContact NH1-C 3.28Å; R350-Y372 VanDerWaalsContact NH1-CA 3.35Å; R350-Y372 PolarHBondContact NH1-O 3.23Å; R350-L373 PolarHBondContact NH1-O 2.86Å
351	E	85	Confident	75.9	Confident	134 Å²	134	83.8 Å²	83.8	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-65.1	-40	177.1	-74.4	168	-151.7	0	0	111.7	S347 E348 E349	S347-E351 WeakPolarHBondContact O-CG 3.34Å; S347-E351 PolarHBondContact O-N 3.43Å; S347-E351 PolarHBondContact OG-OE1 3.15Å; E348-E351 PolarHBondContact O-N 2.83Å; E349-E351 VanDerWaalsContact C-N 3.33Å; E349-E351 PolarHBondContact O-N 2.71Å
352	N	82.7	Confident	74.1	Confident	133 Å²	133	87.9 Å²	87.9	71%	0.711	45%	0.452	S	S	*	.	H	α-helix	trans	-74.3	-29.3	178.6	-70.1	-34.8	0	0	0	113.5	E348 E349	E348-N352 WeakPolarHBondContact O-CB 3.03Å; E348-N352 VanDerWaalsContact O-CG 3.29Å; E348-N352 PolarHBondContact O-N 2.99Å; E348-N352 PolarHBondContact O-ND2 3.48Å; E348-N352 VanDerWaalsContact O-ND2 3.09Å; E349-N352 PolarHBondContact O-N 3.26Å
353	N	74.8	Confident	72.2	Confident	69 Å²	69	99 Å²	99	37%	0.369	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	40.2	-176.1	-70.7	-28.6	0	0	0	113.4	E349 T355 I356	E349-N353 WeakPolarHBondContact O-CB 3.38Å; E349-N353 PolarHBondContact O-N 3.04Å; N353-T355 PolarHBondContact O-N 3.18Å; N353-I356 PolarHBondContact O-N 3.17Å; N353-I356 VanDerWaalsContact O-N 3.14Å
354	A	60.3	Low	70.8	Confident	90 Å²	90	104.3 Å²	104.3	74%	0.744	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-11.9	-173.4	0	0	0	0	0	116.4	R350	R350-A354 PolarHBondContact O-N 2.89Å
355	T	56.1	Low	70	Confident	138 Å²	138	100.2 Å²	100.2	85%	0.847	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.4	-179.9	39.5	0	0	0	0	115.6	N353	N353-T355 PolarHBondContact O-N 3.18Å
356	I	58.9	Low	69.5	Low	115 Å²	115	98.4 Å²	98.4	59%	0.59	51%	0.505	S	S	*	.			trans	-111.9	96.5	-178.7	-55.7	176	0	0	0	109.2	N353	N353-I356 PolarHBondContact O-N 3.17Å; N353-I356 VanDerWaalsContact O-N 3.14Å
357	Q	56.1	Low	69.4	Low	155 Å²	155	98.3 Å²	98.3	72%	0.724	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-72.5	131.2	161	-72.1	-161.5	2.2	0	0	108.8	K359	Q357-K359 PolarHBondContact O-N 2.82Å
358	P	57.3	Low	69	Low	41 Å²	41	99.5 Å²	99.5	27%	0.266	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-59.1	126.6	170.4	13.2	-15.9	0	0	0	108.8	S360 W371	P358-S360 PolarHBondContact O-N 2.78Å; P358-W371 HydrophobicContact CG-CB 3.84Å; P358-W371 HydrophobicContact CG-CD2 4.42Å; P358-W371 HydrophobicContact CG-CG 3.78Å
359	K	53.2	Low	68.8	Low	177 Å²	177	98.6 Å²	98.6	77%	0.77	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-60.4	130	176.9	-71	178.7	-179.4	174.1	0	108.3	Q357 H361 D362	Q357-K359 PolarHBondContact O-N 2.82Å; K359-H361 PolarHBondContact O-N 2.76Å; K359-D362 PolarHBondContact O-N 3.45Å
360	S	49.6	Very low	68.8	Low	94 Å²	94	95.9 Å²	95.9	66%	0.657	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-0.4	-179.6	64.9	0	0	0	0	115.1	P358	P358-S360 PolarHBondContact O-N 2.78Å
361	H	48.7	Very low	68.7	Low	169 Å²	169	96 Å²	96	78%	0.782	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	19.9	-176.3	-78.3	-50.9	0	0	0	113.5	K359 R363	K359-H361 PolarHBondContact O-N 2.76Å; H361-R363 PolarHBondContact O-N 3.09Å; H361-R363 VanDerWaalsContact O-N 3.11Å
362	D	55.3	Low	68.9	Low	97 Å²	97	96 Å²	96	52%	0.519	49%	0.491	S	S	.	.			trans	-64.6	114.3	168.8	-160	-4.6	0	0	0	109.3	K359 D364 N365	K359-D362 PolarHBondContact O-N 3.45Å; D362-D364 PolarHBondContact O-N 3.37Å; D362-D364 VanDerWaalsContact O-N 3.16Å; D362-N365 HydrophobicContact CB-CB 4.35Å; D362-N365 PolarHBondContact O-N 2.95Å
363	R	55.4	Low	69.3	Low	236 Å²	236	90.1 Å²	90.1	89%	0.891	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.7	-173.8	-74.2	-177.9	175.8	178.8	-0.2	112.4	H361	H361-R363 PolarHBondContact O-N 3.09Å; H361-R363 VanDerWaalsContact O-N 3.11Å
364	D	62.7	Low	70.1	Confident	116 Å²	116	88.1 Å²	88.1	62%	0.62	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-6.5	-175.9	-62.9	-28.4	0	0	0	113.3	D362 P366	D362-D364 PolarHBondContact O-N 3.37Å; D362-D364 VanDerWaalsContact O-N 3.16Å; D364-P366 VanDerWaalsContact O-CD 3.32Å; D364-P366 WeakPolarHBondContact O-CD 3.03Å
365	N	77.9	Confident	71.6	Confident	45 Å²	45	86.8 Å²	86.8	24%	0.241	44%	0.435	C	S	.	.			trans	-106.7	100.1	175.1	-174.5	2.6	0	0	0	111.7	D362 C367	D362-N365 HydrophobicContact CB-CB 4.35Å; D362-N365 PolarHBondContact O-N 2.95Å; N365-C367 PolarHBondContact O-N 3.39Å; N365-C367 VanDerWaalsContact OD1-C 3.28Å; N365-C367 PolarHBondContact OD1-N 2.82Å; N365-C367 PolarHBondContact OD1-O 2.92Å
366	P	80.8	Confident	73.2	Confident	29 Å²	29	84.1 Å²	84.1	19%	0.188	43%	0.427	C	S	.	.	S	Bend	trans	-68.4	-11.3	178.9	26.3	-34.5	0	0	0	114.7	F35 I49 N50 D106 D364	F35-P366 HydrophobicContact CB-CG 4.02Å; F35-P366 HydrophobicContact CD1-CG 3.74Å; F35-P366 HydrophobicContact CD2-CG 3.59Å; F35-P366 HydrophobicContact CE1-CG 4.07Å; F35-P366 HydrophobicContact CE2-CG 3.92Å; F35-P366 HydrophobicContact CG-CG 3.48Å; F35-P366 VanDerWaalsContact CG-CG 3.48Å; F35-P366 HydrophobicContact CZ-CG 4.15Å; I49-P366 HydrophobicContact CD1-CB 3.92Å; I49-P366 HydrophobicContact CD1-CG 3.65Å; N50-P366 PolarHBondContact ND2-O 3.05Å; D106-P366 HydrophobicContact CB-CB 3.74Å; D364-P366 VanDerWaalsContact O-CD 3.32Å; D364-P366 WeakPolarHBondContact O-CD 3.03Å
367	C	87.4	Confident	74.8	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.411	C	S	.	.			trans	-141.8	82.1	-178.1	-178.6	0	0	0	0	111.2	F35 I49 N365 Q369 C370	F35-C367 HydrophobicContact CE2-CB 3.74Å; F35-C367 HydrophobicContact CZ-CB 3.69Å; I49-C367 HydrophobicContact CG2-CB 3.91Å; N365-C367 PolarHBondContact O-N 3.39Å; N365-C367 VanDerWaalsContact OD1-C 3.28Å; N365-C367 PolarHBondContact OD1-N 2.82Å; N365-C367 PolarHBondContact OD1-O 2.92Å; C367-Q369 PolarHBondContact O-N 2.77Å; C367-C370 HydrophobicContact CB-CB 3.79Å; C367-C370 WeakPolarHBondContact CB-SG 3.19Å; C367-C370 VanDerWaalsContact O-CB 3.29Å; C367-C370 WeakPolarHBondContact O-CB 3.23Å; C367-C370 PolarHBondContact O-N 2.89Å; C367-C370 WeakPolarHBondContact SG-CB 3.5Å; C367-C370 PolarHBondContact SG-N 3.26Å; C367-C370 CovalentContact SG-SG 2.03Å; C367-C370 PolarHBondContact SG-SG 2.04Å
368	P	83	Confident	76.4	Confident	43 Å²	43	75 Å²	75	28%	0.279	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-57	-35.6	175	-25.2	35.1	0	0	0	112.8	C370 W371	P368-C370 PolarHBondContact O-N 3.38Å; P368-W371 PolarHBondContact O-N 2.9Å
369	Q	85.1	Confident	77.9	Confident	72 Å²	72	77 Å²	77	34%	0.336	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-67.2	-18.6	177.5	67.2	-82	15	0	0	113.7	N50 C367 W371 Y372	N50-Q369 PolarHBondContact OD1-NE2 3.02Å; N50-Q369 VanDerWaalsContact OD1-NE2 3.15Å; C367-Q369 PolarHBondContact O-N 2.77Å; Q369-W371 PolarHBondContact O-N 3.26Å; Q369-Y372 PolarHBondContact O-N 2.72Å
370	C	88.7	Confident	79.6	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.027	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-68.3	-14.3	178.9	-70.5	0	0	0	0	112.8	L34 C367 P368 Y372 L373	L34-C370 HydrophobicContact CD1-CB 3.81Å; C367-C370 HydrophobicContact CB-CB 3.79Å; C367-C370 WeakPolarHBondContact CB-SG 3.19Å; C367-C370 VanDerWaalsContact O-CB 3.29Å; C367-C370 WeakPolarHBondContact O-CB 3.23Å; C367-C370 PolarHBondContact O-N 2.89Å; C367-C370 WeakPolarHBondContact SG-CB 3.5Å; C367-C370 PolarHBondContact SG-N 3.26Å; C367-C370 CovalentContact SG-SG 2.03Å; C367-C370 PolarHBondContact SG-SG 2.04Å; P368-C370 PolarHBondContact O-N 3.38Å; C370-Y372 PolarHBondContact O-N 2.66Å; C370-L373 HydrophobicContact CB-CD1 3.86Å; C370-L373 HydrophobicContact CB-CG 4.33Å; C370-L373 WeakPolarHBondContact O-CB 3.42Å; C370-L373 WeakPolarHBondContact O-CD1 3.48Å; C370-L373 WeakPolarHBondContact O-CG 3.26Å; C370-L373 PolarHBondContact O-N 2.96Å
371	W	84.8	Confident	81.6	Confident	60 Å²	60	64.4 Å²	64.4	23%	0.227	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.2	169.4	-172.9	-112.5	0	0	0	113.2	E349 R350 P358 P368 Q369 L373	E349-W371 HydrophobicContact CG-CH2 4.17Å; R350-W371 HydrophobicContact CB-CZ2 4.12Å; R350-W371 PolarHBondContact NH1-O 3.43Å; R350-W371 VanDerWaalsContact NH1-O 3.13Å; P358-W371 HydrophobicContact CG-CB 3.84Å; P358-W371 HydrophobicContact CG-CD2 4.42Å; P358-W371 HydrophobicContact CG-CG 3.78Å; P368-W371 PolarHBondContact O-N 2.9Å; Q369-W371 PolarHBondContact O-N 3.26Å; W371-L373 VanDerWaalsContact C-N 3.31Å
372	Y	87.9	Confident	83.5	Confident	133 Å²	133	59 Å²	59	52%	0.522	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-89.2	4.3	179.2	-58.7	-73.2	0	0	0	113.5	R350 Q369 C370	R350-Y372 VanDerWaalsContact NH1-C 3.28Å; R350-Y372 VanDerWaalsContact NH1-CA 3.35Å; R350-Y372 PolarHBondContact NH1-O 3.23Å; Q369-Y372 PolarHBondContact O-N 2.72Å; C370-Y372 PolarHBondContact O-N 2.66Å
373	L	90.9	Very high	85	Confident	9 Å²	9	55.7 Å²	55.7	5%	0.047	29%	0.288	C	S	.	.			trans	-60.2	149.2	175.4	-68.8	173	0	0	0	111.2	L34 L75 L343 R350 C370 W371 N377 L380	L34-L373 HydrophobicContact CD1-CD1 4.12Å; L75-L373 HydrophobicContact CD2-CD1 4.26Å; L343-L373 HydrophobicContact CD2-CB 3.73Å; L343-L373 HydrophobicContact CD2-CD1 4.37Å; L343-L373 HydrophobicContact CD2-CG 4.48Å; R350-L373 PolarHBondContact NH1-O 2.86Å; C370-L373 HydrophobicContact CB-CD1 3.86Å; C370-L373 HydrophobicContact CB-CG 4.33Å; C370-L373 WeakPolarHBondContact O-CB 3.42Å; C370-L373 WeakPolarHBondContact O-CD1 3.48Å; C370-L373 WeakPolarHBondContact O-CG 3.26Å; C370-L373 PolarHBondContact O-N 2.96Å; W371-L373 VanDerWaalsContact C-N 3.31Å; L373-N377 HydrophobicContact CD2-CB 3.87Å; L373-L380 HydrophobicContact CD2-CD1 3.79Å
374	S	91.8	Very high	86.4	Confident	28 Å²	28	48.5 Å²	48.5	20%	0.196	27%	0.267	C	S	.	.			trans	-150.2	170.3	-178.6	70.5	0	0	0	0	109.8	A376 N377	S374-A376 PolarHBondContact O-N 3.35Å; S374-A376 WeakPolarHBondContact OG-CB 3.33Å; S374-A376 PolarHBondContact OG-N 3.1Å; S374-N377 PolarHBondContact N-OD1 2.78Å; S374-N377 WeakPolarHBondContact O-CB 3.24Å; S374-N377 PolarHBondContact O-N 3.14Å; S374-N377 PolarHBondContact O-OD1 2.91Å; S374-N377 PolarHBondContact OG-OD1 3.11Å
375	P	91.2	Very high	87.5	Confident	62 Å²	62	43.2 Å²	43.2	40%	0.403	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-54.9	-20.5	174.6	-28.5	36.9	0	0	0	114.5	L343 R344 N377 I378	L343-P375 HydrophobicContact CB-CG 4.49Å; R344-P375 HydrophobicContact CB-CG 4.32Å; P375-N377 PolarHBondContact O-N 3.4Å; P375-I378 PolarHBondContact O-N 3.03Å
376	A	90.1	Very high	88	Confident	82 Å²	82	41.1 Å²	41.1	68%	0.678	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-64.6	-22	173.7	0	0	0	0	0	113.3	S374 I378	S374-A376 PolarHBondContact O-N 3.35Å; S374-A376 WeakPolarHBondContact OG-CB 3.33Å; S374-A376 PolarHBondContact OG-N 3.1Å; A376-I378 PolarHBondContact O-N 2.65Å
377	N	92	Very high	88.3	Confident	49 Å²	49	42.9 Å²	42.9	26%	0.262	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-86.6	17.8	179.4	-57.4	100.8	0	0	0	113.2	L373 S374 P375 T379 L380	L373-N377 HydrophobicContact CD2-CB 3.87Å; S374-N377 PolarHBondContact N-OD1 2.78Å; S374-N377 WeakPolarHBondContact O-CB 3.24Å; S374-N377 PolarHBondContact O-N 3.14Å; S374-N377 PolarHBondContact O-OD1 2.91Å; S374-N377 PolarHBondContact OG-OD1 3.11Å; P375-N377 PolarHBondContact O-N 3.4Å; N377-T379 PolarHBondContact O-N 3.04Å; N377-L380 HydrophobicContact CB-CD1 3.94Å; N377-L380 HydrophobicContact CB-CG 4.35Å; N377-L380 WeakPolarHBondContact O-CB 3.23Å; N377-L380 VanDerWaalsContact O-CG 3.23Å; N377-L380 WeakPolarHBondContact O-CG 3.44Å; N377-L380 PolarHBondContact O-N 2.88Å
378	I	90.4	Very high	88.3	Confident	30 Å²	30	43.9 Å²	43.9	15%	0.154	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-61.1	-17.9	179.2	-163.8	58.6	0	0	0	113.2	A339 E340 L343 P375 A376 L380 V381 N382	A339-I378 HydrophobicContact CB-CD1 3.76Å; E340-I378 HydrophobicContact CG-CD1 3.56Å; E340-I378 HydrophobicContact CG-CG1 4.06Å; L343-I378 HydrophobicContact CD1-CD1 4.26Å; P375-I378 PolarHBondContact O-N 3.03Å; A376-I378 PolarHBondContact O-N 2.65Å; I378-L380 PolarHBondContact O-N 2.67Å; I378-V381 HydrophobicContact CD1-CG2 3.82Å; I378-V381 WeakPolarHBondContact O-CG2 3.41Å; I378-V381 PolarHBondContact O-N 3.46Å; I378-N382 PolarHBondContact O-N 3.17Å; I378-N382 PolarHBondContact O-ND2 3.35Å
379	T	89.1	Confident	88.7	Confident	82 Å²	82	42.1 Å²	42.1	50%	0.503	23%	0.225	S	C	.	.	H	α-helix	trans	-57.1	-27.5	172.4	51.4	0	0	0	0	113	N377 V381 N382 D383	N377-T379 PolarHBondContact O-N 3.04Å; T379-V381 PolarHBondContact O-N 2.66Å; T379-V381 VanDerWaalsContact O-N 3.16Å; T379-N382 PolarHBondContact O-N 2.82Å; T379-N382 VanDerWaalsContact O-N 3.14Å; T379-D383 PolarHBondContact O-N 3.17Å
380	L	89.7	Confident	89.1	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-54.8	-32.6	177.8	-70.1	173.8	0	0	0	113.7	E72 L75 L79 L373 N377 I378 V386	E72-L380 HydrophobicContact CB-CD2 3.63Å; E72-L380 HydrophobicContact CG-CD2 3.77Å; L75-L380 HydrophobicContact CD2-CD1 3.77Å; L75-L380 HydrophobicContact CD2-CD2 4.15Å; L75-L380 HydrophobicContact CG-CD1 4.44Å; L79-L380 HydrophobicContact CD1-CD1 4.46Å; L373-L380 HydrophobicContact CD2-CD1 3.79Å; N377-L380 HydrophobicContact CB-CD1 3.94Å; N377-L380 HydrophobicContact CB-CG 4.35Å; N377-L380 WeakPolarHBondContact O-CB 3.23Å; N377-L380 VanDerWaalsContact O-CG 3.23Å; N377-L380 WeakPolarHBondContact O-CG 3.44Å; N377-L380 PolarHBondContact O-N 2.88Å; I378-L380 PolarHBondContact O-N 2.67Å; L380-V386 WeakPolarHBondContact O-CG1 3.49Å
381	V	91.2	Very high	89.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-109.7	-10.4	178.8	-61.2	0	0	0	0	113	L79 L335 A339 I378 T379 K387	L79-V381 HydrophobicContact CD1-CG1 4.36Å; L335-V381 HydrophobicContact CD1-CG1 4.41Å; L335-V381 HydrophobicContact CD2-CB 4.13Å; L335-V381 HydrophobicContact CG-CB 4.15Å; L335-V381 HydrophobicContact CG-CG1 4.42Å; A339-V381 HydrophobicContact CB-CB 4.4Å; A339-V381 HydrophobicContact CB-CG1 4.03Å; A339-V381 HydrophobicContact CB-CG2 3.58Å; I378-V381 HydrophobicContact CD1-CG2 3.82Å; I378-V381 WeakPolarHBondContact O-CG2 3.41Å; I378-V381 PolarHBondContact O-N 3.46Å; T379-V381 PolarHBondContact O-N 2.66Å; T379-V381 VanDerWaalsContact O-N 3.16Å; V381-K387 WeakPolarHBondContact O-CG 3.28Å
382	N	87.6	Confident	89.8	Confident	56 Å²	56	36 Å²	36	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-86	-19.6	-176.5	-97.1	-38.5	0	0	0	114	N336 I378 T379 K387	N336-N382 PolarHBondContact ND2-OD1 3.29Å; N336-N382 PolarHBondContact OD1-OD1 3.45Å; I378-N382 PolarHBondContact O-N 3.17Å; I378-N382 PolarHBondContact O-ND2 3.35Å; T379-N382 PolarHBondContact O-N 2.82Å; T379-N382 VanDerWaalsContact O-N 3.14Å; N382-K387 PolarHBondContact O-NZ 2.04Å; N382-K387 VanDerWaalsContact O-NZ 3.15Å; N382-K387 PolarHBondContact OD1-NZ 2.99Å
383	D	88	Confident	90.2	Very high	26 Å²	26	29.7 Å²	29.7	14%	0.139	17%	0.174	C	C	.	.	S	Bend	trans	-55.6	139.8	175.4	-172.5	-74.3	0	0	0	111.9	Y73 N308 T379 A385 V386 K387	Y73-D383 VanDerWaalsContact CE1-CG 3.48Å; Y73-D383 WeakPolarHBondContact CE1-OD1 3.01Å; N308-D383 PolarHBondContact ND2-OD2 2.87Å; T379-D383 PolarHBondContact O-N 3.17Å; D383-A385 VanDerWaalsContact C-N 3.35Å; D383-A385 PolarHBondContact O-N 3.43Å; D383-A385 WeakPolarHBondContact OD1-CB 3.01Å; D383-A385 PolarHBondContact OD1-N 3.42Å; D383-V386 HydrophobicContact CB-CB 4.22Å; D383-V386 HydrophobicContact CB-CG2 3.98Å; D383-V386 PolarHBondContact O-N 3.34Å; D383-K387 PolarHBondContact O-N 3.08Å
384	L	84.6	Confident	90.5	Very high	86 Å²	86	29.7 Å²	29.7	45%	0.45	17%	0.173	S	C	.	.	H	α-helix	trans	-62.8	-38.9	-177	-69	173.6	0	0	0	112.7	V386 K387 R388 F471	L384-V386 VanDerWaalsContact C-N 3.33Å; L384-K387 PolarHBondContact O-N 2.9Å; L384-R388 WeakPolarHBondContact O-CB 3.14Å; L384-R388 PolarHBondContact O-N 2.78Å; L384-F471 HydrophobicContact CD1-CE2 3.97Å
385	A	84.6	Confident	90.7	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-36.8	177.5	0	0	0	0	0	110.9	Y73 D383 L389	Y73-A385 HydrophobicContact CD1-CB 4.16Å; Y73-A385 HydrophobicContact CE1-CB 4.05Å; D383-A385 VanDerWaalsContact C-N 3.35Å; D383-A385 PolarHBondContact O-N 3.43Å; D383-A385 WeakPolarHBondContact OD1-CB 3.01Å; D383-A385 PolarHBondContact OD1-N 3.42Å; A385-L389 PolarHBondContact O-N 3.09Å
386	V	88.9	Confident	91	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-68.6	-43.2	175.1	-177.1	0	0	0	0	111.8	Y73 F77 L380 D383 L384 R388 G390	Y73-V386 HydrophobicContact CD1-CG2 3.84Å; Y73-V386 HydrophobicContact CG-CG2 4.47Å; F77-V386 HydrophobicContact CD1-CG1 4.35Å; F77-V386 HydrophobicContact CE1-CB 4.43Å; F77-V386 HydrophobicContact CE1-CG1 4.44Å; F77-V386 HydrophobicContact CE1-CG2 4.25Å; L380-V386 WeakPolarHBondContact O-CG1 3.49Å; D383-V386 HydrophobicContact CB-CB 4.22Å; D383-V386 HydrophobicContact CB-CG2 3.98Å; D383-V386 PolarHBondContact O-N 3.34Å; L384-V386 VanDerWaalsContact C-N 3.33Å; V386-R388 VanDerWaalsContact C-N 3.34Å; V386-R388 PolarHBondContact O-N 3.42Å; V386-G390 WeakPolarHBondContact O-CA 3.32Å; V386-G390 PolarHBondContact O-N 2.04Å
387	K	87.6	Confident	91.4	Very high	66 Å²	66	21.6 Å²	21.6	29%	0.287	11%	0.113	S	C	.	.	H	α-helix	trans	-60.2	-43.6	175.2	-76.1	178.3	172	153.4	0	112.3	V381 N382 D383 L384	V381-K387 WeakPolarHBondContact O-CG 3.28Å; N382-K387 PolarHBondContact O-NZ 2.04Å; N382-K387 VanDerWaalsContact O-NZ 3.15Å; N382-K387 PolarHBondContact OD1-NZ 2.99Å; D383-K387 PolarHBondContact O-N 3.08Å; L384-K387 PolarHBondContact O-N 2.9Å
388	R	87.3	Confident	91.6	Very high	22 Å²	22	20 Å²	20	8%	0.083	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-60.4	178.1	-179.2	-171.3	67	158.6	-10.3	111.8	S302 I306 V326 D327 L329 L384 V386 G390 F391	S302-R388 VanDerWaalsContact O-CZ 3.28Å; S302-R388 PolarHBondContact O-NH1 2.68Å; S302-R388 PolarHBondContact O-NH2 2.8Å; I306-R388 HydrophobicContact CD1-CB 4.2Å; V326-R388 VanDerWaalsContact CG2-CD 3.44Å; D327-R388 IonicContact OD2-CZ 2.68Å; D327-R388 IonicContact OD2-NE 3.1Å; D327-R388 IonicContact OD2-NH1 3.88Å; D327-R388 PolarHBondContact OD2-NH1 3.05Å; L329-R388 HydrophobicContact CD1-CG 4.21Å; L329-R388 WeakPolarHBondContact CD1-O 3.45Å; L384-R388 WeakPolarHBondContact O-CB 3.14Å; L384-R388 PolarHBondContact O-N 2.78Å; V386-R388 VanDerWaalsContact C-N 3.34Å; V386-R388 PolarHBondContact O-N 3.42Å; R388-G390 VanDerWaalsContact C-N 3.27Å; R388-G390 PolarHBondContact O-N 3.14Å; R388-F391 PolarHBondContact O-N 2.85Å
389	L	90.8	Very high	91.9	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-76.2	-18.5	-174.9	-68.8	172.8	0	0	0	112.4	F77 Y150 V192 A385 F391 A392 V393	F77-L389 HydrophobicContact CD1-CB 4.28Å; F77-L389 HydrophobicContact CE1-CB 3.54Å; F77-L389 HydrophobicContact CE1-CD1 4.14Å; F77-L389 HydrophobicContact CE1-CG 4.49Å; F77-L389 HydrophobicContact CE2-CD1 4.47Å; F77-L389 HydrophobicContact CZ-CB 3.96Å; F77-L389 HydrophobicContact CZ-CD1 3.67Å; F77-L389 HydrophobicContact CZ-CG 4.48Å; Y150-L389 HydrophobicContact CE2-CD1 3.72Å; V192-L389 HydrophobicContact CG1-CD2 4.02Å; A385-L389 PolarHBondContact O-N 3.09Å; L389-F391 VanDerWaalsContact C-N 3.3Å; L389-F391 PolarHBondContact O-N 3Å; L389-A392 WeakPolarHBondContact O-CA 3.4Å; L389-A392 WeakPolarHBondContact O-CB 3.38Å; L389-A392 PolarHBondContact O-N 3.42Å; L389-A392 VanDerWaalsContact O-N 3.09Å; L389-V393 WeakPolarHBondContact O-CG2 3.21Å; L389-V393 PolarHBondContact O-N 3.2Å
390	G	93.4	Very high	92.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.3	-42.8	169.5	0	0	0	0	0	111.4	V80 V386 R388 A392 V393 Y394	V80-G390 VanDerWaalsContact CG1-O 3.22Å; V80-G390 WeakPolarHBondContact CG1-O 3.42Å; V386-G390 WeakPolarHBondContact O-CA 3.32Å; V386-G390 PolarHBondContact O-N 2.04Å; R388-G390 VanDerWaalsContact C-N 3.27Å; R388-G390 PolarHBondContact O-N 3.14Å; G390-A392 VanDerWaalsContact C-N 3.26Å; G390-A392 PolarHBondContact O-N 3.09Å; G390-V393 PolarHBondContact O-N 2.73Å; G390-Y394 VanDerWaalsContact O-CB 3.3Å; G390-Y394 WeakPolarHBondContact O-CB 3.41Å; G390-Y394 PolarHBondContact O-N 3.37Å
391	F	93.3	Very high	92.7	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.035	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-36.7	173.5	-173.6	-87.3	0	0	0	112.4	L329 D330 L332 R388 L389 Y394 S395 I439	L329-F391 HydrophobicContact CB-CB 4.29Å; L329-F391 HydrophobicContact CB-CD1 3.95Å; L329-F391 HydrophobicContact CB-CG 4.38Å; L329-F391 HydrophobicContact CD2-CD1 3.92Å; L329-F391 HydrophobicContact CD2-CE1 4.35Å; L329-F391 HydrophobicContact CG-CD1 4.41Å; D330-F391 HydrophobicContact CB-CD2 3.92Å; D330-F391 HydrophobicContact CB-CE2 3.71Å; D330-F391 HydrophobicContact CB-CZ 4.14Å; D330-F391 WeakPolarHBondContact O-CB 3.05Å; D330-F391 WeakPolarHBondContact O-CG 3.41Å; L332-F391 HydrophobicContact CD2-CD2 3.81Å; L332-F391 HydrophobicContact CD2-CE2 4.48Å; L332-F391 HydrophobicContact CG-CD2 4.41Å; R388-F391 PolarHBondContact O-N 2.85Å; L389-F391 VanDerWaalsContact C-N 3.3Å; L389-F391 PolarHBondContact O-N 3Å; F391-Y394 PolarHBondContact O-N 2.74Å; F391-S395 WeakPolarHBondContact CD1-OG 3.47Å; F391-S395 WeakPolarHBondContact CE1-OG 3.32Å; F391-S395 WeakPolarHBondContact O-CB 3.4Å; F391-S395 PolarHBondContact O-N 3.46Å; F391-S395 PolarHBondContact O-OG 3.34Å; F391-I439 HydrophobicContact CE2-CB 4.32Å; F391-I439 HydrophobicContact CE2-CG2 3.55Å; F391-I439 HydrophobicContact CZ-CB 4.09Å; F391-I439 HydrophobicContact CZ-CD1 4.34Å; F391-I439 HydrophobicContact CZ-CG2 3.83Å
392	A	95	Very high	93	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.6	-42.9	174.6	0	0	0	0	0	112.3	T191 V192 L329 L389 G390 S395 A396	T191-A392 WeakPolarHBondContact CB-O 3.45Å; T191-A392 VanDerWaalsContact OG1-C 3.32Å; T191-A392 WeakPolarHBondContact OG1-CB 3.08Å; T191-A392 PolarHBondContact OG1-O 3.48Å; V192-A392 HydrophobicContact CG1-CB 3.88Å; L329-A392 HydrophobicContact CD1-CB 3.92Å; L389-A392 WeakPolarHBondContact O-CA 3.4Å; L389-A392 WeakPolarHBondContact O-CB 3.38Å; L389-A392 PolarHBondContact O-N 3.42Å; L389-A392 VanDerWaalsContact O-N 3.09Å; G390-A392 VanDerWaalsContact C-N 3.26Å; G390-A392 PolarHBondContact O-N 3.09Å; A392-S395 PolarHBondContact O-N 3.23Å; A392-A396 WeakPolarHBondContact O-CB 3.27Å; A392-A396 PolarHBondContact O-N 3.31Å
393	V	97.4	Very high	93.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61	-49	174.1	174.9	0	0	0	0	110.7	F47 F77 V80 M81 Y172 L389 G390 S395 A396 V397	F47-V393 HydrophobicContact CE1-CG1 4.13Å; F47-V393 HydrophobicContact CE1-CG2 4.22Å; F47-V393 HydrophobicContact CZ-CG1 4.2Å; F77-V393 HydrophobicContact CB-CG2 4.17Å; V80-V393 HydrophobicContact CB-CB 4.38Å; V80-V393 HydrophobicContact CB-CG1 4.21Å; V80-V393 HydrophobicContact CG1-CB 4.11Å; V80-V393 HydrophobicContact CG1-CG1 4.15Å; M81-V393 HydrophobicContact CB-CG1 3.88Å; Y172-V393 HydrophobicContact CD1-CG2 3.87Å; Y172-V393 HydrophobicContact CD2-CG2 3.55Å; Y172-V393 HydrophobicContact CE1-CG2 4.34Å; Y172-V393 HydrophobicContact CE2-CG2 4.04Å; Y172-V393 HydrophobicContact CG-CG2 3.45Å; Y172-V393 VanDerWaalsContact CG-CG2 3.45Å; L389-V393 WeakPolarHBondContact O-CG2 3.21Å; L389-V393 PolarHBondContact O-N 3.2Å; G390-V393 PolarHBondContact O-N 2.73Å; V393-S395 VanDerWaalsContact C-N 3.34Å; V393-S395 PolarHBondContact O-N 3.31Å; V393-A396 WeakPolarHBondContact O-CB 3.48Å; V393-A396 PolarHBondContact O-N 3.23Å; V393-A396 VanDerWaalsContact O-N 3.16Å; V393-V397 WeakPolarHBondContact O-CG2 3.36Å; V393-V397 PolarHBondContact O-N 3.46Å; V393-V397 VanDerWaalsContact O-N 3.13Å
394	Y	96.4	Very high	93.8	Very high	9 Å²	9	13.2 Å²	13.2	4%	0.035	6%	0.062	C	C	.	.	H	α-helix	trans	-58	-47.5	178.5	179.5	-87.2	0	0	0	111.3	Y83 A84 E87 L332 G390 F391 A396 V397 Y398 I439	Y83-Y394 AromaticContact CD1-CD2 3.81Å; Y83-Y394 HydrophobicContact CD1-CD2 3.81Å; Y83-Y394 HydrophobicContact CD1-CE2 4.02Å; Y83-Y394 AromaticContact CE1-CD2 3.61Å; Y83-Y394 HydrophobicContact CE1-CD2 3.61Å; Y83-Y394 AromaticContact CE1-CE2 3.44Å; Y83-Y394 HydrophobicContact CE1-CE2 3.44Å; Y83-Y394 VanDerWaalsContact CE1-CE2 3.44Å; A84-Y394 HydrophobicContact CB-CD2 3.72Å; A84-Y394 HydrophobicContact CB-CE2 4.21Å; A84-Y394 HydrophobicContact CB-CG 4.43Å; E87-Y394 WeakPolarHBondContact OE2-CE2 3.34Å; E87-Y394 VanDerWaalsContact OE2-CZ 3.25Å; E87-Y394 PolarHBondContact OE2-OH 2.97Å; L332-Y394 HydrophobicContact CD1-CD2 4.09Å; L332-Y394 HydrophobicContact CD1-CG 4.05Å; L332-Y394 HydrophobicContact CD2-CD1 3.82Å; L332-Y394 HydrophobicContact CD2-CD2 3.99Å; L332-Y394 HydrophobicContact CD2-CE1 4.17Å; L332-Y394 HydrophobicContact CD2-CE2 4.3Å; L332-Y394 HydrophobicContact CD2-CG 3.72Å; G390-Y394 VanDerWaalsContact O-CB 3.3Å; G390-Y394 WeakPolarHBondContact O-CB 3.41Å; G390-Y394 PolarHBondContact O-N 3.37Å; F391-Y394 PolarHBondContact O-N 2.74Å; Y394-A396 VanDerWaalsContact C-N 3.28Å; Y394-A396 PolarHBondContact O-N 3.44Å; Y394-V397 PolarHBondContact O-N 3.38Å; Y394-Y398 AromaticContact CD1-CD2 3.86Å; Y394-Y398 HydrophobicContact CD1-CD2 3.86Å; Y394-Y398 HydrophobicContact CD1-CE2 4.26Å; Y394-Y398 HydrophobicContact CD1-CG 4.46Å; Y394-Y398 HydrophobicContact CD2-CD2 4.19Å; Y394-Y398 HydrophobicContact CD2-CE2 4.06Å; Y394-Y398 AromaticContact CE1-CD2 3.46Å; Y394-Y398 HydrophobicContact CE1-CD2 3.46Å; Y394-Y398 VanDerWaalsContact CE1-CD2 3.46Å; Y394-Y398 AromaticContact CE1-CE2 3.54Å; Y394-Y398 HydrophobicContact CE1-CE2 3.54Å; Y394-Y398 AromaticContact CE1-CG 3.99Å; Y394-Y398 HydrophobicContact CE1-CG 3.99Å; Y394-Y398 AromaticContact CE2-CD2 3.86Å; Y394-Y398 HydrophobicContact CE2-CD2 3.86Å; Y394-Y398 AromaticContact CE2-CE2 3.32Å; Y394-Y398 HydrophobicContact CE2-CE2 3.32Å; Y394-Y398 HydrophobicContact CG-CD2 4.21Å; Y394-Y398 HydrophobicContact CG-CE2 4.49Å; Y394-Y398 AromaticContact CZ-CD2 3.5Å; Y394-Y398 AromaticContact CZ-CE2 3.04Å; Y394-Y398 AromaticContact CZ-CZ 3.53Å; Y394-Y398 WeakPolarHBondContact O-CB 3.48Å; Y394-Y398 PolarHBondContact O-N 3.12Å; Y394-Y398 WeakPolarHBondContact OH-CE2 3.31Å; Y394-Y398 PolarHBondContact OH-OH 3.2Å; Y394-I439 HydrophobicContact CD1-CD1 4.16Å; Y394-I439 HydrophobicContact CD1-CG2 4.05Å; Y394-I439 HydrophobicContact CE1-CD1 4.27Å; Y394-I439 HydrophobicContact CE1-CG1 4.33Å; Y394-I439 HydrophobicContact CE1-CG2 3.55Å
395	S	95.8	Very high	94.4	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.014	5%	0.048	C	C	.	.	H	α-helix	trans	-60.8	-36.5	176.8	-62.2	0	0	0	0	112.7	F391 A392 V393 Y398 S399 I439	F391-S395 WeakPolarHBondContact CD1-OG 3.47Å; F391-S395 WeakPolarHBondContact CE1-OG 3.32Å; F391-S395 WeakPolarHBondContact O-CB 3.4Å; F391-S395 PolarHBondContact O-N 3.46Å; F391-S395 PolarHBondContact O-OG 3.34Å; A392-S395 PolarHBondContact O-N 3.23Å; V393-S395 VanDerWaalsContact C-N 3.34Å; V393-S395 PolarHBondContact O-N 3.31Å; S395-Y398 PolarHBondContact O-N 3.01Å; S395-S399 WeakPolarHBondContact O-CB 3.35Å; S395-S399 PolarHBondContact O-N 3.14Å; S395-S399 PolarHBondContact O-OG 3.2Å; S395-I439 VanDerWaalsContact OG-CD1 3.23Å; S395-I439 WeakPolarHBondContact OG-CD1 3.46Å
396	A	97.6	Very high	94.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.6	-45.4	178.4	0	0	0	0	0	110.8	I147 I170 T191 A392 V393 Y394 S399 V400	I147-A396 HydrophobicContact CD1-CB 3.98Å; I147-A396 HydrophobicContact CG2-CB 4.13Å; I170-A396 HydrophobicContact CB-CB 4.08Å; I170-A396 HydrophobicContact CG2-CB 3.48Å; I170-A396 VanDerWaalsContact CG2-CB 3.48Å; T191-A396 HydrophobicContact CG2-CB 3.93Å; A392-A396 WeakPolarHBondContact O-CB 3.27Å; A392-A396 PolarHBondContact O-N 3.31Å; V393-A396 WeakPolarHBondContact O-CB 3.48Å; V393-A396 PolarHBondContact O-N 3.23Å; V393-A396 VanDerWaalsContact O-N 3.16Å; Y394-A396 VanDerWaalsContact C-N 3.28Å; Y394-A396 PolarHBondContact O-N 3.44Å; A396-S399 PolarHBondContact O-N 2.04Å; A396-V400 PolarHBondContact O-N 3.21Å
397	V	98.1	Very high	95.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-46.7	176	179.7	0	0	0	0	111.1	L43 M81 A84 V85 I88 L100 I147 V393 Y394 S399 V400 A401	L43-V397 HydrophobicContact CD1-CG1 4.2Å; M81-V397 HydrophobicContact CB-CG2 4.37Å; M81-V397 HydrophobicContact CG-CG2 3.79Å; A84-V397 HydrophobicContact CB-CB 3.83Å; A84-V397 HydrophobicContact CB-CG1 3.8Å; A84-V397 HydrophobicContact CB-CG2 4.14Å; V85-V397 HydrophobicContact CG2-CG1 3.92Å; I88-V397 HydrophobicContact CD1-CG1 3.8Å; L100-V397 HydrophobicContact CD2-CG1 4.33Å; I147-V397 HydrophobicContact CD1-CG2 4.45Å; I147-V397 HydrophobicContact CG1-CG2 4.21Å; V393-V397 WeakPolarHBondContact O-CG2 3.36Å; V393-V397 PolarHBondContact O-N 3.46Å; V393-V397 VanDerWaalsContact O-N 3.13Å; Y394-V397 PolarHBondContact O-N 3.38Å; V397-S399 VanDerWaalsContact C-N 3.3Å; V397-S399 PolarHBondContact O-N 3.38Å; V397-V400 PolarHBondContact O-N 3.27Å; V397-A401 PolarHBondContact O-N 3.5Å
398	Y	96.9	Very high	95.6	Very high	15 Å²	15	13.9 Å²	13.9	6%	0.059	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-34.3	178.9	-96.9	-100.7	0	0	0	112.8	A84 E87 I88 K91 L94 Y394 S395 A401 Q402	A84-Y398 HydrophobicContact CB-CD2 4.38Å; A84-Y398 HydrophobicContact CB-CE2 4.35Å; E87-Y398 PolarHBondContact OE2-OH 2.96Å; I88-Y398 HydrophobicContact CD1-CD2 3.93Å; I88-Y398 HydrophobicContact CD1-CE2 3.84Å; I88-Y398 HydrophobicContact CD1-CG 4.4Å; I88-Y398 HydrophobicContact CG1-CD2 4.31Å; I88-Y398 HydrophobicContact CG1-CE1 4.26Å; I88-Y398 HydrophobicContact CG1-CE2 3.74Å; K91-Y398 PolarHBondContact NZ-OH 2.85Å; L94-Y398 HydrophobicContact CD2-CD1 3.94Å; L94-Y398 HydrophobicContact CD2-CE1 3.83Å; Y394-Y398 AromaticContact CD1-CD2 3.86Å; Y394-Y398 HydrophobicContact CD1-CD2 3.86Å; Y394-Y398 HydrophobicContact CD1-CE2 4.26Å; Y394-Y398 HydrophobicContact CD1-CG 4.46Å; Y394-Y398 HydrophobicContact CD2-CD2 4.19Å; Y394-Y398 HydrophobicContact CD2-CE2 4.06Å; Y394-Y398 AromaticContact CE1-CD2 3.46Å; Y394-Y398 HydrophobicContact CE1-CD2 3.46Å; Y394-Y398 VanDerWaalsContact CE1-CD2 3.46Å; Y394-Y398 AromaticContact CE1-CE2 3.54Å; Y394-Y398 HydrophobicContact CE1-CE2 3.54Å; Y394-Y398 AromaticContact CE1-CG 3.99Å; Y394-Y398 HydrophobicContact CE1-CG 3.99Å; Y394-Y398 AromaticContact CE2-CD2 3.86Å; Y394-Y398 HydrophobicContact CE2-CD2 3.86Å; Y394-Y398 AromaticContact CE2-CE2 3.32Å; Y394-Y398 HydrophobicContact CE2-CE2 3.32Å; Y394-Y398 HydrophobicContact CG-CD2 4.21Å; Y394-Y398 HydrophobicContact CG-CE2 4.49Å; Y394-Y398 AromaticContact CZ-CD2 3.5Å; Y394-Y398 AromaticContact CZ-CE2 3.04Å; Y394-Y398 AromaticContact CZ-CZ 3.53Å; Y394-Y398 WeakPolarHBondContact O-CB 3.48Å; Y394-Y398 PolarHBondContact O-N 3.12Å; Y394-Y398 WeakPolarHBondContact OH-CE2 3.31Å; Y394-Y398 PolarHBondContact OH-OH 3.2Å; S395-Y398 PolarHBondContact O-N 3.01Å; Y398-A401 PolarHBondContact O-N 2.87Å; Y398-Q402 WeakPolarHBondContact O-CB 3.49Å; Y398-Q402 PolarHBondContact O-N 3.13Å
399	S	97.3	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.3	-44.1	174.2	-57.9	0	0	0	0	112	S395 A396 V397 A403	S395-S399 WeakPolarHBondContact O-CB 3.35Å; S395-S399 PolarHBondContact O-N 3.14Å; S395-S399 PolarHBondContact O-OG 3.2Å; A396-S399 PolarHBondContact O-N 2.04Å; V397-S399 VanDerWaalsContact C-N 3.3Å; V397-S399 PolarHBondContact O-N 3.38Å; S399-A403 WeakPolarHBondContact O-CB 3.47Å; S399-A403 PolarHBondContact O-N 3.02Å
400	V	97.9	Very high	96	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-64.1	-44.5	173.9	-179.2	0	0	0	0	110.9	L43 A145 I147 I170 A396 V397 Q402 A403 L404 L428	L43-V400 HydrophobicContact CD1-CG1 4.41Å; L43-V400 HydrophobicContact CD2-CG1 3.7Å; A145-V400 HydrophobicContact CB-CG1 3.9Å; A145-V400 HydrophobicContact CB-CG2 3.85Å; I147-V400 HydrophobicContact CD1-CG2 4.05Å; I170-V400 HydrophobicContact CD1-CG2 3.19Å; A396-V400 PolarHBondContact O-N 3.21Å; V397-V400 PolarHBondContact O-N 3.27Å; V400-Q402 PolarHBondContact O-N 2.82Å; V400-A403 PolarHBondContact O-N 3.1Å; V400-L404 HydrophobicContact CG1-CD1 3.87Å; V400-L404 HydrophobicContact CG1-CG 4.25Å; V400-L404 WeakPolarHBondContact O-CB 3.46Å; V400-L404 VanDerWaalsContact O-CG 3.28Å; V400-L404 WeakPolarHBondContact O-CG 3.48Å; V400-L404 PolarHBondContact O-N 3.24Å; V400-L428 HydrophobicContact CG1-CD2 4.24Å
401	A	97.3	Very high	95.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.8	-40.9	-179.3	0	0	0	0	0	112.4	I88 L94 L95 V397 Y398 L404 H405	I88-A401 HydrophobicContact CD1-CB 3.71Å; I88-A401 HydrophobicContact CG2-CB 4.44Å; L94-A401 HydrophobicContact CD2-CB 3.99Å; L94-A401 HydrophobicContact CG-CB 4.37Å; L95-A401 HydrophobicContact CD1-CB 4.04Å; V397-A401 PolarHBondContact O-N 3.5Å; Y398-A401 PolarHBondContact O-N 2.87Å; A401-L404 WeakPolarHBondContact O-CB 3.45Å; A401-L404 PolarHBondContact O-N 2.78Å; A401-H405 WeakPolarHBondContact O-CB 3.25Å; A401-H405 PolarHBondContact O-N 3.16Å
402	Q	96.5	Very high	95.1	Very high	56 Å²	56	30.9 Å²	30.9	26%	0.262	17%	0.17	S	C	.	.	H	α-helix	trans	-68.4	-38.6	176.2	-170.6	63.8	42.5	0	0	112.1	Y398 V400 H405 T406 T435 V437	Y398-Q402 WeakPolarHBondContact O-CB 3.49Å; Y398-Q402 PolarHBondContact O-N 3.13Å; V400-Q402 PolarHBondContact O-N 2.82Å; Q402-H405 WeakPolarHBondContact O-CB 3.43Å; Q402-H405 PolarHBondContact O-N 2.63Å; Q402-T406 PolarHBondContact O-N 2.92Å; Q402-T406 PolarHBondContact O-OG1 3.41Å; Q402-T435 HydrophobicContact CB-CG2 3.73Å; Q402-T435 HydrophobicContact CG-CG2 3.55Å; Q402-V437 HydrophobicContact CB-CG2 4.13Å
403	A	97.3	Very high	94.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-41.4	174.3	0	0	0	0	0	111	S399 V400 T406 L407 L428 V431 L432 T435	S399-A403 WeakPolarHBondContact O-CB 3.47Å; S399-A403 PolarHBondContact O-N 3.02Å; V400-A403 PolarHBondContact O-N 3.1Å; A403-T406 PolarHBondContact O-N 2.77Å; A403-L407 VanDerWaalsContact O-CB 3.28Å; A403-L407 WeakPolarHBondContact O-CB 3.38Å; A403-L407 PolarHBondContact O-N 2.96Å; A403-L428 HydrophobicContact CB-CD1 3.8Å; A403-V431 HydrophobicContact CB-CG1 4.28Å; A403-V431 WeakPolarHBondContact O-CG1 3.47Å; A403-L432 HydrophobicContact CB-CB 4.03Å; A403-L432 HydrophobicContact CB-CD1 3.83Å; A403-T435 HydrophobicContact CB-CG2 4.4Å
404	L	96.8	Very high	93.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-42.1	172.7	-74.7	169.4	0	0	0	111.8	V41 L95 L100 V400 A401 T406 L407 L408 I423 L428	V41-L404 HydrophobicContact CG1-CD1 3.88Å; V41-L404 HydrophobicContact CG1-CD2 4.2Å; L95-L404 HydrophobicContact CD1-CB 4.36Å; L95-L404 HydrophobicContact CD1-CD1 4.49Å; L95-L404 HydrophobicContact CD2-CB 3.87Å; L100-L404 HydrophobicContact CD1-CD1 4.1Å; V400-L404 HydrophobicContact CG1-CD1 3.87Å; V400-L404 HydrophobicContact CG1-CG 4.25Å; V400-L404 WeakPolarHBondContact O-CB 3.46Å; V400-L404 VanDerWaalsContact O-CG 3.28Å; V400-L404 WeakPolarHBondContact O-CG 3.48Å; V400-L404 PolarHBondContact O-N 3.24Å; A401-L404 WeakPolarHBondContact O-CB 3.45Å; A401-L404 PolarHBondContact O-N 2.78Å; L404-T406 PolarHBondContact O-N 3.34Å; L404-L407 PolarHBondContact O-N 3.38Å; L404-L408 VanDerWaalsContact O-CB 3.3Å; L404-L408 WeakPolarHBondContact O-CB 3.38Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.14Å; L404-I423 HydrophobicContact CD2-CD1 3.66Å; L404-I423 HydrophobicContact CD2-CG2 4.19Å; L404-L428 HydrophobicContact CD2-CD1 3.83Å; L404-L428 HydrophobicContact CD2-CD2 4.14Å; L404-L428 HydrophobicContact CG-CD1 3.91Å; L404-L428 HydrophobicContact CG-CD2 4.46Å
405	H	95.6	Very high	93.5	Very high	32 Å²	32	37 Å²	37	15%	0.148	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-40.2	178.7	-176.4	89.9	0	0	0	111.6	D93 L94 L95 A401 Q402 E409 C410	D93-H405 PolarHBondContact O-CE1 3.32Å; D93-H405 VanDerWaalsContact O-CE1 3.31Å; L94-H405 HydrophobicContact CD1-CB 3.72Å; L95-H405 HydrophobicContact CD2-CB 3.97Å; L95-H405 HydrophobicContact CG-CB 4.46Å; L95-H405 PolarHBondContact N-ND1 3.12Å; A401-H405 WeakPolarHBondContact O-CB 3.25Å; A401-H405 PolarHBondContact O-N 3.16Å; Q402-H405 WeakPolarHBondContact O-CB 3.43Å; Q402-H405 PolarHBondContact O-N 2.63Å; H405-E409 PolarHBondContact O-N 3.32Å; H405-C410 WeakPolarHBondContact CE1-CB 3.21Å; H405-C410 WeakPolarHBondContact ND1-CB 3.4Å; H405-C410 PolarHBondContact NE2-O 3.23Å; H405-C410 WeakPolarHBondContact O-CB 3.35Å; H405-C410 PolarHBondContact O-N 3.38Å; H405-C410 PolarHBondContact O-SG 2.81Å
406	T	95.8	Very high	93.3	Very high	76 Å²	76	42.2 Å²	42.2	47%	0.466	25%	0.25	S	S	.	.	H	α-helix	trans	-71.8	-45.2	175.9	-51.7	0	0	0	0	111.4	Q402 A403 L404 L408 E409 V431	Q402-T406 PolarHBondContact O-N 2.92Å; Q402-T406 PolarHBondContact O-OG1 3.41Å; A403-T406 PolarHBondContact O-N 2.77Å; L404-T406 PolarHBondContact O-N 3.34Å; T406-L408 VanDerWaalsContact C-N 3.28Å; T406-L408 PolarHBondContact O-N 3.02Å; T406-E409 PolarHBondContact O-N 3.39Å; T406-E409 VanDerWaalsContact O-N 3.13Å; T406-V431 HydrophobicContact CG2-CG1 3.88Å
407	L	95.8	Very high	92.9	Very high	50 Å²	50	44.9 Å²	44.9	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-34.7	179.8	179.7	65.9	0	0	0	112.7	A403 L404 E409 I423 K427 L428 V431	A403-L407 VanDerWaalsContact O-CB 3.28Å; A403-L407 WeakPolarHBondContact O-CB 3.38Å; A403-L407 PolarHBondContact O-N 2.96Å; L404-L407 PolarHBondContact O-N 3.38Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-I423 HydrophobicContact CD2-CG2 4.37Å; L407-K427 HydrophobicContact CD1-CB 4.24Å; L407-L428 HydrophobicContact CD2-CB 4.19Å; L407-L428 HydrophobicContact CD2-CD1 4.21Å; L407-V431 HydrophobicContact CB-CG1 4.5Å; L407-V431 HydrophobicContact CB-CG2 4.15Å; L407-V431 HydrophobicContact CD1-CG2 3.82Å
408	L	94.8	Very high	92.3	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.073	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	8.8	178.9	-62	177.9	0	0	0	113	L95 V98 L404 T406 C410 C415 N416 W417	L95-L408 HydrophobicContact CD2-CD1 4.35Å; V98-L408 HydrophobicContact CG1-CD1 4.35Å; V98-L408 HydrophobicContact CG2-CD1 4.22Å; L404-L408 VanDerWaalsContact O-CB 3.3Å; L404-L408 WeakPolarHBondContact O-CB 3.38Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.14Å; T406-L408 VanDerWaalsContact C-N 3.28Å; T406-L408 PolarHBondContact O-N 3.02Å; L408-C410 PolarHBondContact O-N 3.42Å; L408-C410 VanDerWaalsContact O-N 3.15Å; L408-C415 HydrophobicContact CB-CB 4.26Å; L408-N416 VanDerWaalsContact O-CB 3.23Å; L408-N416 WeakPolarHBondContact O-CB 3.02Å; L408-N416 PolarHBondContact O-N 3.48Å; L408-W417 HydrophobicContact CD1-CE3 4.1Å; L408-W417 HydrophobicContact CD2-CE3 3.86Å; L408-W417 HydrophobicContact CD2-CZ3 4.26Å
409	E	94.1	Very high	91.5	Very high	152 Å²	152	52 Å²	52	71%	0.71	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	41.1	178.2	-60.2	177.4	-175.8	0	0	112.6	H405 T406 L407	H405-E409 PolarHBondContact O-N 3.32Å; T406-E409 PolarHBondContact O-N 3.39Å; T406-E409 VanDerWaalsContact O-N 3.13Å; L407-E409 VanDerWaalsContact C-N 3.31Å
410	C	92.6	Very high	90.8	Very high	15 Å²	15	59.2 Å²	59.2	10%	0.101	35%	0.352	C	S	.	.			trans	-70	140.5	-176	-57.9	0	0	0	0	111.8	H405 L408 G414 C415	H405-C410 WeakPolarHBondContact CE1-CB 3.21Å; H405-C410 WeakPolarHBondContact ND1-CB 3.4Å; H405-C410 PolarHBondContact NE2-O 3.23Å; H405-C410 WeakPolarHBondContact O-CB 3.35Å; H405-C410 PolarHBondContact O-N 3.38Å; H405-C410 PolarHBondContact O-SG 2.81Å; L408-C410 PolarHBondContact O-N 3.42Å; L408-C410 VanDerWaalsContact O-N 3.15Å; C410-G414 WeakPolarHBondContact CA-O 3.47Å; C410-C415 HydrophobicContact CB-CB 4.07Å; C410-C415 WeakPolarHBondContact CB-SG 3.46Å; C410-C415 WeakPolarHBondContact SG-CB 3.43Å; C410-C415 CovalentContact SG-SG 2.03Å; C410-C415 PolarHBondContact SG-SG 3.37Å
411	D	87.3	Confident	90.4	Very high	93 Å²	93	60.8 Å²	60.8	50%	0.497	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-135.9	-168.8	170.8	70.9	5.9	0	0	0	110.9	P96 A413 G414	P96-D411 WeakPolarHBondContact CG-O 3.5Å; D411-A413 PolarHBondContact O-N 3.08Å; D411-A413 WeakPolarHBondContact OD1-CA 3.24Å; D411-A413 VanDerWaalsContact OD1-CB 3.25Å; D411-A413 WeakPolarHBondContact OD1-CB 3.41Å; D411-A413 PolarHBondContact OD1-N 2.86Å; D411-G414 PolarHBondContact N-O 3.09Å; D411-G414 PolarHBondContact O-N 3.27Å; D411-G414 PolarHBondContact OD1-N 3.34Å; D411-G414 VanDerWaalsContact OD1-N 3.13Å
412	S	80.5	Confident	90.1	Very high	132 Å²	132	66.4 Å²	66.4	92%	0.923	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.6	177.3	54.7	0	0	0	0	114.6
413	A	79.8	Confident	89.9	Confident	95 Å²	95	63.9 Å²	63.9	79%	0.785	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.7	178.5	0	0	0	0	0	112.5	D411	D411-A413 PolarHBondContact O-N 3.08Å; D411-A413 WeakPolarHBondContact OD1-CA 3.24Å; D411-A413 VanDerWaalsContact OD1-CB 3.25Å; D411-A413 WeakPolarHBondContact OD1-CB 3.41Å; D411-A413 PolarHBondContact OD1-N 2.86Å
414	G	85.6	Confident	89.8	Confident	21 Å²	21	65.2 Å²	65.2	22%	0.216	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	148.7	-176.7	174.8	0	0	0	0	0	112.6	C410 D411	C410-G414 WeakPolarHBondContact CA-O 3.47Å; D411-G414 PolarHBondContact N-O 3.09Å; D411-G414 PolarHBondContact O-N 3.27Å; D411-G414 PolarHBondContact OD1-N 3.34Å; D411-G414 VanDerWaalsContact OD1-N 3.13Å
415	C	91.4	Very high	89.8	Confident	23 Å²	23	65.3 Å²	65.3	16%	0.155	38%	0.382	C	S	.	.			trans	-98.3	153.1	172	-64	0	0	0	0	112	P96 V98 L408 C410 W417	P96-C415 PolarHBondContact O-N 3.28Å; P96-C415 PolarHBondContact O-SG 3.39Å; P96-C415 VanDerWaalsContact O-SG 3.4Å; V98-C415 HydrophobicContact CG2-CB 3.61Å; L408-C415 HydrophobicContact CB-CB 4.26Å; C410-C415 HydrophobicContact CB-CB 4.07Å; C410-C415 WeakPolarHBondContact CB-SG 3.46Å; C410-C415 WeakPolarHBondContact SG-CB 3.43Å; C410-C415 CovalentContact SG-SG 2.03Å; C410-C415 PolarHBondContact SG-SG 3.37Å; C415-W417 HydrophobicContact CB-CB 4.46Å; C415-W417 PolarHBondContact O-N 3.2Å
416	N	90.9	Very high	89.7	Confident	110 Å²	110	67.6 Å²	67.6	59%	0.588	39%	0.389	S	S	*	.	S	Bend	trans	-74.5	74.6	170.3	-169.1	4.5	0	0	0	110.7	L408	L408-N416 VanDerWaalsContact O-CB 3.23Å; L408-N416 WeakPolarHBondContact O-CB 3.02Å; L408-N416 PolarHBondContact O-N 3.48Å
417	W	89.4	Confident	89.8	Confident	57 Å²	57	67.8 Å²	67.8	22%	0.216	38%	0.383	C	S	.	.			trans	-130.1	130.8	-175.9	-173.7	-105.4	0	0	0	111.7	D40 V41 V98 L408 C415 I423	D40-W417 HydrophobicContact CB-CZ2 3.62Å; D40-W417 PolarHBondContact OD1-NE1 3.16Å; V41-W417 HydrophobicContact CG2-CH2 3.98Å; V41-W417 HydrophobicContact CG2-CZ2 4.39Å; V41-W417 HydrophobicContact CG2-CZ3 4.26Å; V98-W417 HydrophobicContact CG1-CD2 4.41Å; V98-W417 HydrophobicContact CG2-CB 3.53Å; V98-W417 HydrophobicContact CG2-CD2 4.3Å; V98-W417 HydrophobicContact CG2-CG 3.67Å; L408-W417 HydrophobicContact CD1-CE3 4.1Å; L408-W417 HydrophobicContact CD2-CE3 3.86Å; L408-W417 HydrophobicContact CD2-CZ3 4.26Å; C415-W417 HydrophobicContact CB-CB 4.46Å; C415-W417 PolarHBondContact O-N 3.2Å; W417-I423 HydrophobicContact CH2-CD1 4.04Å; W417-I423 HydrophobicContact CH2-CG1 4.16Å; W417-I423 HydrophobicContact CZ3-CD1 3.65Å; W417-I423 HydrophobicContact CZ3-CG1 3.72Å
418	G	85.4	Confident	89.8	Confident	25 Å²	25	65.4 Å²	65.4	26%	0.258	37%	0.371	S	S	.	.			trans	-154.3	179.8	-180	0	0	0	0	0	112.7	D420 S421	G418-D420 PolarHBondContact O-N 3.14Å; G418-S421 PolarHBondContact N-OG 2.83Å; G418-S421 VanDerWaalsContact O-CB 3.3Å; G418-S421 WeakPolarHBondContact O-CB 3.05Å; G418-S421 PolarHBondContact O-N 3.48Å; G418-S421 PolarHBondContact O-OG 3Å
419	P	80.4	Confident	89.9	Confident	140 Å²	140	65 Å²	65	91%	0.909	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.4	-174.2	22.7	-31.7	0	0	0	114.4
420	D	82.5	Confident	90	Very high	151 Å²	151	63.6 Å²	63.6	81%	0.807	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	2	177.3	-61.7	-46.7	0	0	0	113.3	G418 K422	G418-D420 PolarHBondContact O-N 3.14Å; D420-K422 PolarHBondContact O-N 2.99Å
421	S	88.7	Confident	90.2	Very high	34 Å²	34	64.4 Å²	64.4	24%	0.238	37%	0.366	C	S	.	.			trans	-69.5	128.7	179.1	-66	0	0	0	0	110.7	G418	G418-S421 PolarHBondContact N-OG 2.83Å; G418-S421 VanDerWaalsContact O-CB 3.3Å; G418-S421 WeakPolarHBondContact O-CB 3.05Å; G418-S421 PolarHBondContact O-N 3.48Å; G418-S421 PolarHBondContact O-OG 3Å
422	K	90.8	Very high	90.7	Very high	118 Å²	118	60 Å²	60	51%	0.513	34%	0.343	S	S	.	.			trans	-118.8	139.2	178.6	-62.6	-173.4	174.1	-175.5	0	110.9	E140 D420 Y424	E140-K422 WeakPolarHBondContact OE2-CG 3.25Å; D420-K422 PolarHBondContact O-N 2.99Å; K422-Y424 HydrophobicContact CB-CE1 4.37Å; K422-Y424 HydrophobicContact CB-CE2 4.03Å; K422-Y424 HydrophobicContact CD-CE1 4.36Å; K422-Y424 VanDerWaalsContact CD-OH 3.28Å; K422-Y424 WeakPolarHBondContact CD-OH 3.32Å
423	I	93.6	Very high	91.4	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	32%	0.32	C	S	.	.			trans	-110.9	106.1	175.2	-57.4	-172.8	0	0	0	109.2	V41 L404 L407 W417	V41-I423 HydrophobicContact CB-CD1 4.16Å; V41-I423 HydrophobicContact CG1-CD1 3.76Å; V41-I423 HydrophobicContact CG2-CD1 3.3Å; L404-I423 HydrophobicContact CD2-CD1 3.66Å; L404-I423 HydrophobicContact CD2-CG2 4.19Å; L407-I423 HydrophobicContact CD2-CG2 4.37Å; W417-I423 HydrophobicContact CH2-CD1 4.04Å; W417-I423 HydrophobicContact CH2-CG1 4.16Å; W417-I423 HydrophobicContact CZ3-CD1 3.65Å; W417-I423 HydrophobicContact CZ3-CG1 3.72Å
424	Y	95.1	Very high	92	Very high	28 Å²	28	61.7 Å²	61.7	11%	0.11	32%	0.32	C	S	.	.			trans	-86.4	129.3	175	-57.6	-68.2	0	0	0	110.1	D138 E140 K422 W426 K427 L428	D138-Y424 WeakPolarHBondContact O-CE1 3.25Å; E140-Y424 HydrophobicContact CB-CE1 4.44Å; K422-Y424 HydrophobicContact CB-CE1 4.37Å; K422-Y424 HydrophobicContact CB-CE2 4.03Å; K422-Y424 HydrophobicContact CD-CE1 4.36Å; K422-Y424 VanDerWaalsContact CD-OH 3.28Å; K422-Y424 WeakPolarHBondContact CD-OH 3.32Å; Y424-W426 VanDerWaalsContact C-N 3.26Å; Y424-W426 PolarHBondContact O-N 2.81Å; Y424-K427 HydrophobicContact CD2-CD 3.95Å; Y424-K427 PolarHBondContact O-N 3.25Å; Y424-K427 VanDerWaalsContact O-N 3.09Å; Y424-L428 PolarHBondContact O-N 2.94Å; Y424-L428 VanDerWaalsContact O-N 3.13Å
425	P	94.9	Very high	92.3	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.019	31%	0.312	C	S	.	.	H	α-helix	trans	-57.3	-38.3	-177.3	-24.8	32.6	0	0	0	113.4	T141 L166 M167 P168 K427 L428 L429	T141-P425 HydrophobicContact CG2-CG 4.12Å; T141-P425 WeakPolarHBondContact OG1-CG 3.45Å; L166-P425 CarbonylContact O-C 3.45Å; M167-P425 HydrophobicContact CB-CB 4.1Å; M167-P425 HydrophobicContact CE-CB 4.49Å; M167-P425 HydrophobicContact CE-CG 4.01Å; M167-P425 HydrophobicContact CG-CB 4.35Å; P168-P425 WeakPolarHBondContact CD-O 3.42Å; P425-K427 PolarHBondContact O-N 3.08Å; P425-L428 PolarHBondContact O-N 3.47Å; P425-L429 WeakPolarHBondContact O-CB 3.5Å; P425-L429 PolarHBondContact O-N 2.96Å
426	W	95.4	Very high	92.4	Very high	79 Å²	79	63.2 Å²	63.2	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-32.4	178.7	69.2	-96.7	0	0	0	113.9	T137 L166 Y424 L429 E430	T137-W426 HydrophobicContact CG2-CZ2 4.02Å; T137-W426 PolarHBondContact O-NE1 3.35Å; L166-W426 HydrophobicContact CB-CB 3.67Å; L166-W426 HydrophobicContact CD1-CB 3.73Å; L166-W426 HydrophobicContact CG-CB 4.36Å; Y424-W426 VanDerWaalsContact C-N 3.26Å; Y424-W426 PolarHBondContact O-N 2.81Å; W426-L429 WeakPolarHBondContact O-CB 3.47Å; W426-E430 PolarHBondContact O-N 3.05Å; W426-E430 VanDerWaalsContact O-N 3.15Å
427	K	95.9	Very high	92.5	Very high	80 Å²	80	58.1 Å²	58.1	35%	0.348	30%	0.3	S	S	.	.	H	α-helix	trans	-72.4	-41.4	173.8	-68.9	-169.3	-173.7	178.3	0	111.2	L407 Y424 P425 L429 E430 V431	L407-K427 HydrophobicContact CD1-CB 4.24Å; Y424-K427 HydrophobicContact CD2-CD 3.95Å; Y424-K427 PolarHBondContact O-N 3.25Å; Y424-K427 VanDerWaalsContact O-N 3.09Å; P425-K427 PolarHBondContact O-N 3.08Å; K427-L429 VanDerWaalsContact C-N 3.28Å; K427-L429 PolarHBondContact O-N 2.86Å; K427-E430 PolarHBondContact O-N 2.62Å; K427-V431 PolarHBondContact O-N 3.43Å
428	L	97	Very high	92.6	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-39.6	174.5	-179.8	59	0	0	0	111.1	A145 P168 V400 A403 L404 L407 Y424 P425 E430 V431 L432	A145-L428 HydrophobicContact CB-CD2 4.26Å; P168-L428 HydrophobicContact CG-CB 4.36Å; P168-L428 HydrophobicContact CG-CD2 4.32Å; P168-L428 HydrophobicContact CG-CG 4.15Å; V400-L428 HydrophobicContact CG1-CD2 4.24Å; A403-L428 HydrophobicContact CB-CD1 3.8Å; L404-L428 HydrophobicContact CD2-CD1 3.83Å; L404-L428 HydrophobicContact CD2-CD2 4.14Å; L404-L428 HydrophobicContact CG-CD1 3.91Å; L404-L428 HydrophobicContact CG-CD2 4.46Å; L407-L428 HydrophobicContact CD2-CB 4.19Å; L407-L428 HydrophobicContact CD2-CD1 4.21Å; Y424-L428 PolarHBondContact O-N 2.94Å; Y424-L428 VanDerWaalsContact O-N 3.13Å; P425-L428 PolarHBondContact O-N 3.47Å; L428-E430 PolarHBondContact O-N 3.31Å; L428-V431 PolarHBondContact O-N 3.31Å; L428-L432 VanDerWaalsContact O-CB 3.26Å; L428-L432 WeakPolarHBondContact O-CB 3.23Å; L428-L432 PolarHBondContact O-N 3.09Å
429	L	97.1	Very high	92.6	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-45.6	175	179	63.9	0	0	0	112.2	L166 P168 F189 P425 W426 K427 V431 L432 R433	L166-L429 HydrophobicContact CB-CD2 3.82Å; L166-L429 HydrophobicContact CD2-CD2 3.99Å; L166-L429 HydrophobicContact CG-CD2 4.44Å; P168-L429 HydrophobicContact CG-CB 3.93Å; P168-L429 HydrophobicContact CG-CD1 4.34Å; F189-L429 HydrophobicContact CD2-CD1 4.43Å; F189-L429 HydrophobicContact CE2-CD1 3.51Å; F189-L429 HydrophobicContact CZ-CD1 4.27Å; P425-L429 WeakPolarHBondContact O-CB 3.5Å; P425-L429 PolarHBondContact O-N 2.96Å; W426-L429 WeakPolarHBondContact O-CB 3.47Å; K427-L429 VanDerWaalsContact C-N 3.28Å; K427-L429 PolarHBondContact O-N 2.86Å; L429-V431 VanDerWaalsContact C-N 3.34Å; L429-V431 PolarHBondContact O-N 3.49Å; L429-L432 PolarHBondContact O-N 3.21Å; L429-R433 WeakPolarHBondContact O-CG 3.03Å; L429-R433 PolarHBondContact O-N 2.92Å; L429-R433 VanDerWaalsContact O-N 3.14Å
430	E	95.9	Very high	92.6	Very high	122 Å²	122	58.4 Å²	58.4	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-60	-44.3	178.9	-174.3	177.4	-174.6	0	0	111.7	W426 K427 L428	W426-E430 PolarHBondContact O-N 3.05Å; W426-E430 VanDerWaalsContact O-N 3.15Å; K427-E430 PolarHBondContact O-N 2.62Å; L428-E430 PolarHBondContact O-N 3.31Å
431	V	97	Very high	92.5	Very high	31 Å²	31	54.1 Å²	54.1	19%	0.188	29%	0.293	C	S	.	.	H	α-helix	trans	-69.4	-41.4	177	179.2	0	0	0	0	111.6	A403 T406 L407 K427 L428 L429 R433 N434 T435	A403-V431 HydrophobicContact CB-CG1 4.28Å; A403-V431 WeakPolarHBondContact O-CG1 3.47Å; T406-V431 HydrophobicContact CG2-CG1 3.88Å; L407-V431 HydrophobicContact CB-CG1 4.5Å; L407-V431 HydrophobicContact CB-CG2 4.15Å; L407-V431 HydrophobicContact CD1-CG2 3.82Å; K427-V431 PolarHBondContact O-N 3.43Å; L428-V431 PolarHBondContact O-N 3.31Å; L429-V431 VanDerWaalsContact C-N 3.34Å; L429-V431 PolarHBondContact O-N 3.49Å; V431-R433 VanDerWaalsContact C-N 3.27Å; V431-R433 PolarHBondContact O-N 2.92Å; V431-N434 PolarHBondContact O-N 3.31Å; V431-N434 VanDerWaalsContact O-N 3.08Å; V431-T435 PolarHBondContact O-N 3.45Å; V431-T435 PolarHBondContact O-OG1 2.9Å
432	L	96.8	Very high	92.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-37.5	-179.7	-177.1	67.2	0	0	0	112.2	P168 I170 F189 A403 L428 L429 N434 T435	P168-L432 HydrophobicContact CB-CD2 3.86Å; I170-L432 HydrophobicContact CD1-CD2 3.97Å; I170-L432 HydrophobicContact CG1-CD2 4.19Å; F189-L432 HydrophobicContact CD2-CD2 3.87Å; F189-L432 HydrophobicContact CE1-CG 4.35Å; F189-L432 HydrophobicContact CE2-CD2 3.91Å; F189-L432 HydrophobicContact CE2-CG 4.44Å; F189-L432 HydrophobicContact CG-CD2 4.2Å; F189-L432 HydrophobicContact CZ-CD2 4.21Å; F189-L432 HydrophobicContact CZ-CG 4.25Å; A403-L432 HydrophobicContact CB-CB 4.03Å; A403-L432 HydrophobicContact CB-CD1 3.83Å; L428-L432 VanDerWaalsContact O-CB 3.26Å; L428-L432 WeakPolarHBondContact O-CB 3.23Å; L428-L432 PolarHBondContact O-N 3.09Å; L429-L432 PolarHBondContact O-N 3.21Å; L432-N434 PolarHBondContact O-N 3.13Å; L432-N434 VanDerWaalsContact O-N 3.16Å; L432-T435 PolarHBondContact O-N 3.11Å; L432-T435 VanDerWaalsContact O-N 3.12Å
433	R	95	Very high	92.3	Very high	116 Å²	116	54 Å²	54	44%	0.438	30%	0.296	S	S	.	.	H	α-helix	trans	-56.4	-29.8	177.1	-76.9	177.2	179.5	-154.3	-0.6	113.7	P186 F189 L429 V431	P186-R433 PolarHBondContact O-NH2 3.13Å; F189-R433 HydrophobicContact CZ-CG 3.7Å; L429-R433 WeakPolarHBondContact O-CG 3.03Å; L429-R433 PolarHBondContact O-N 2.92Å; L429-R433 VanDerWaalsContact O-N 3.14Å; V431-R433 VanDerWaalsContact C-N 3.27Å; V431-R433 PolarHBondContact O-N 2.92Å
434	N	93.6	Very high	92.3	Very high	146 Å²	146	54.2 Å²	54.2	78%	0.781	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	13	-177.2	-62.5	-27.6	0	0	0	112.6	V431 L432	V431-N434 PolarHBondContact O-N 3.31Å; V431-N434 VanDerWaalsContact O-N 3.08Å; L432-N434 PolarHBondContact O-N 3.13Å; L432-N434 VanDerWaalsContact O-N 3.16Å
435	T	92.4	Very high	92.2	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.067	31%	0.314	C	S	.	.			trans	-93.2	126.2	-176.6	-63.5	0	0	0	0	111.1	Q402 A403 V431 L432 V437	Q402-T435 HydrophobicContact CB-CG2 3.73Å; Q402-T435 HydrophobicContact CG-CG2 3.55Å; A403-T435 HydrophobicContact CB-CG2 4.4Å; V431-T435 PolarHBondContact O-N 3.45Å; V431-T435 PolarHBondContact O-OG1 2.9Å; L432-T435 PolarHBondContact O-N 3.11Å; L432-T435 VanDerWaalsContact O-N 3.12Å; T435-V437 HydrophobicContact CG2-CG2 4.32Å
436	S	93.6	Very high	92.2	Very high	65 Å²	65	58.5 Å²	58.5	46%	0.455	32%	0.318	S	S	.	.			trans	-104	139	166.4	63.4	0	0	0	0	110.1	L444	S436-L444 WeakPolarHBondContact CA-O 3.3Å
437	V	92.1	Very high	92.1	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.1	179.1	-169.8	0	0	0	0	109.9	Q402 T435 I439 I443 L444	Q402-V437 HydrophobicContact CB-CG2 4.13Å; T435-V437 HydrophobicContact CG2-CG2 4.32Å; V437-I439 HydrophobicContact CG1-CD1 4.06Å; V437-I439 HydrophobicContact CG1-CG1 3.68Å; V437-I443 WeakPolarHBondContact O-CA 3.28Å; V437-L444 HydrophobicContact CB-CB 4.5Å; V437-L444 PolarHBondContact N-O 3.46Å; V437-L444 PolarHBondContact O-N 3.3Å
438	N	90.5	Very high	92	Very high	106 Å²	106	62.2 Å²	62.2	57%	0.567	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.6	169.6	-174.5	-12	0	0	0	109.9	G441	N438-G441 VanDerWaalsContact OD1-CA 3.22Å; N438-G441 WeakPolarHBondContact OD1-CA 3.28Å; N438-G441 PolarHBondContact OD1-N 3.09Å
439	I	87	Confident	91.9	Very high	4 Å²	4	65 Å²	65	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	105.9	177.5	-58.9	170.6	0	0	0	107.6	F391 Y394 S395 V437 G441 T442	F391-I439 HydrophobicContact CE2-CB 4.32Å; F391-I439 HydrophobicContact CE2-CG2 3.55Å; F391-I439 HydrophobicContact CZ-CB 4.09Å; F391-I439 HydrophobicContact CZ-CD1 4.34Å; F391-I439 HydrophobicContact CZ-CG2 3.83Å; Y394-I439 HydrophobicContact CD1-CD1 4.16Å; Y394-I439 HydrophobicContact CD1-CG2 4.05Å; Y394-I439 HydrophobicContact CE1-CD1 4.27Å; Y394-I439 HydrophobicContact CE1-CG1 4.33Å; Y394-I439 HydrophobicContact CE1-CG2 3.55Å; S395-I439 VanDerWaalsContact OG-CD1 3.23Å; S395-I439 WeakPolarHBondContact OG-CD1 3.46Å; V437-I439 HydrophobicContact CG1-CD1 4.06Å; V437-I439 HydrophobicContact CG1-CG1 3.68Å; I439-G441 PolarHBondContact O-N 3.43Å; I439-G441 VanDerWaalsContact O-N 3.12Å; I439-T442 PolarHBondContact N-O 2.82Å; I439-T442 WeakPolarHBondContact O-CB 3.33Å; I439-T442 PolarHBondContact O-N 3.15Å
440	S	79.9	Confident	91.8	Very high	119 Å²	119	64.8 Å²	64.8	83%	0.832	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	32.6	177.3	-58	0	0	0	0	114.8
441	G	79.8	Confident	91.8	Very high	61 Å²	61	59.2 Å²	59.2	63%	0.629	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.5	-7.6	-178.6	0	0	0	0	0	114.6	N438 I439	N438-G441 VanDerWaalsContact OD1-CA 3.22Å; N438-G441 WeakPolarHBondContact OD1-CA 3.28Å; N438-G441 PolarHBondContact OD1-N 3.09Å; I439-G441 PolarHBondContact O-N 3.43Å; I439-G441 VanDerWaalsContact O-N 3.12Å
442	T	85.1	Confident	91.6	Very high	57 Å²	57	57.8 Å²	57.8	35%	0.35	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117	174.4	-64.6	0	0	0	0	109.8	D330 I439	D330-T442 WeakPolarHBondContact OD2-CB 3.35Å; D330-T442 PolarHBondContact OD2-OG1 3.49Å; I439-T442 PolarHBondContact N-O 2.82Å; I439-T442 WeakPolarHBondContact O-CB 3.33Å; I439-T442 PolarHBondContact O-N 3.15Å
443	I	90.9	Very high	91.4	Very high	92 Å²	92	61.6 Å²	61.6	47%	0.472	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112.7	179.2	-55.9	175.9	0	0	0	109	V437 E445 N453	V437-I443 WeakPolarHBondContact O-CA 3.28Å; I443-E445 HydrophobicContact CG2-CG 4.02Å; I443-N453 PolarHBondContact O-ND2 2.84Å; I443-N453 PolarHBondContact O-OD1 2.65Å
444	L	92.8	Very high	91.2	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.8	173.8	-175.7	70.1	0	0	0	109.9	T191 S436 V437 F446 P452 V454	T191-L444 HydrophobicContact CG2-CD2 4.18Å; S436-L444 WeakPolarHBondContact CA-O 3.3Å; V437-L444 HydrophobicContact CB-CB 4.5Å; V437-L444 PolarHBondContact N-O 3.46Å; V437-L444 PolarHBondContact O-N 3.3Å; L444-F446 HydrophobicContact CD2-CZ 4.27Å; L444-P452 HydrophobicContact CD1-CB 3.65Å; L444-V454 HydrophobicContact CD1-CG2 3.93Å
445	E	93.6	Very high	91.1	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	29%	0.294	S	S	.	.			trans	-131	142	177.4	-69.3	172.6	174.6	0	0	109.7	I443 P452 N453	I443-E445 HydrophobicContact CG2-CG 4.02Å; E445-P452 CarbonylContact O-C 3.5Å; E445-P452 WeakPolarHBondContact O-CA 3.12Å; E445-N453 PolarHBondContact N-OD1 2.76Å; E445-N453 VanDerWaalsContact N-OD1 3.12Å; E445-N453 PolarHBondContact O-N 3.45Å
446	F	95.1	Very high	91.2	Very high	23 Å²	23	49.9 Å²	49.9	10%	0.101	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-95.2	140.1	173.9	-57.8	-70.8	0	0	0	110.6	F189 R190 T191 L444 N451 P452	F189-F446 HydrophobicContact CD1-CB 4.09Å; F189-F446 AromaticContact CD1-CD1 3.88Å; F189-F446 HydrophobicContact CD1-CD1 3.88Å; F189-F446 AromaticContact CD1-CD2 3.93Å; F189-F446 HydrophobicContact CD1-CD2 3.93Å; F189-F446 HydrophobicContact CD1-CE1 4.3Å; F189-F446 HydrophobicContact CD1-CE2 4.35Å; F189-F446 AromaticContact CD1-CG 3.68Å; F189-F446 HydrophobicContact CD1-CG 3.68Å; F189-F446 HydrophobicContact CE1-CB 4.06Å; F189-F446 HydrophobicContact CE1-CD2 4.15Å; F189-F446 HydrophobicContact CE1-CG 4.04Å; R190-F446 VanDerWaalsContact O-CE1 3.29Å; R190-F446 WeakPolarHBondContact O-CE1 3.32Å; T191-F446 HydrophobicContact CG2-CE1 4.35Å; T191-F446 HydrophobicContact CG2-CZ 4.29Å; L444-F446 HydrophobicContact CD2-CZ 4.27Å; F446-N451 CarbonylContact C-O 2.95Å; F446-N451 VanDerWaalsContact CA-O 3.27Å; F446-N451 WeakPolarHBondContact CA-O 3.14Å; F446-P452 HydrophobicContact CE1-CB 4.49Å
447	D	93.8	Very high	91.3	Very high	59 Å²	59	50.2 Å²	50.2	32%	0.316	28%	0.284	S	S	.	.			trans	-74.9	177.7	168.1	77.4	0.8	0	0	0	111.4	N449 G450 N451	D447-N449 PolarHBondContact O-N 3.24Å; D447-N449 VanDerWaalsContact OD1-C 3.26Å; D447-N449 VanDerWaalsContact OD1-CA 3.31Å; D447-N449 WeakPolarHBondContact OD1-CA 3.3Å; D447-N449 WeakPolarHBondContact OD1-CB 3.33Å; D447-N449 PolarHBondContact OD1-N 2.79Å; D447-G450 PolarHBondContact O-N 2.89Å; D447-G450 PolarHBondContact OD1-N 2.91Å; D447-G450 VanDerWaalsContact OD1-N 3.08Å; D447-N451 PolarHBondContact N-O 3.06Å; D447-N451 WeakPolarHBondContact OD1-CB 3.34Å; D447-N451 PolarHBondContact OD1-N 3.37Å; D447-N451 PolarHBondContact OD1-ND2 3.2Å; D447-N451 WeakPolarHBondContact OD2-CB 3.45Å; D447-N451 PolarHBondContact OD2-ND2 3.47Å
448	E	93.9	Very high	91.5	Very high	178 Å²	178	50.1 Å²	50.1	83%	0.832	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-19.9	178.9	-62.8	-178.2	168.9	0	0	113.7	N182	N182-E448 PolarHBondContact ND2-O 3.47Å
449	N	94.9	Very high	91.7	Very high	58 Å²	58	46 Å²	46	31%	0.31	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	12.9	-178.8	-51.4	-57.8	0	0	0	112.8	S180 N182 D447 N451	S180-N449 WeakPolarHBondContact O-CB 3.32Å; S180-N449 PolarHBondContact O-OD1 2.83Å; N182-N449 PolarHBondContact ND2-OD1 2.9Å; D447-N449 PolarHBondContact O-N 3.24Å; D447-N449 VanDerWaalsContact OD1-C 3.26Å; D447-N449 VanDerWaalsContact OD1-CA 3.31Å; D447-N449 WeakPolarHBondContact OD1-CA 3.3Å; D447-N449 WeakPolarHBondContact OD1-CB 3.33Å; D447-N449 PolarHBondContact OD1-N 2.79Å; N449-N451 PolarHBondContact O-N 2.8Å
450	G	94.4	Very high	92.1	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	75.2	19.1	178.7	0	0	0	0	0	114.8	F189 R190 D447	F189-G450 WeakPolarHBondContact CA-O 3.3Å; R190-G450 PolarHBondContact N-O 2.93Å; R190-G450 VanDerWaalsContact N-O 3.07Å; D447-G450 PolarHBondContact O-N 2.89Å; D447-G450 PolarHBondContact OD1-N 2.91Å; D447-G450 VanDerWaalsContact OD1-N 3.08Å
451	N	95.3	Very high	92.8	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	22%	0.22	C	C	.	.			trans	-92.4	140.5	177	-54.8	-56.4	0	0	0	111.9	S180 R190 W197 F446 D447 N449	S180-N451 PolarHBondContact OG-ND2 3.02Å; S180-N451 PolarHBondContact OG-OD1 2.81Å; R190-N451 PolarHBondContact NE-OD1 3.05Å; R190-N451 PolarHBondContact NH2-OD1 3.23Å; W197-N451 HydrophobicContact CH2-CB 4.4Å; F446-N451 CarbonylContact C-O 2.95Å; F446-N451 VanDerWaalsContact CA-O 3.27Å; F446-N451 WeakPolarHBondContact CA-O 3.14Å; D447-N451 PolarHBondContact N-O 3.06Å; D447-N451 WeakPolarHBondContact OD1-CB 3.34Å; D447-N451 PolarHBondContact OD1-N 3.37Å; D447-N451 PolarHBondContact OD1-ND2 3.2Å; D447-N451 WeakPolarHBondContact OD2-CB 3.45Å; D447-N451 PolarHBondContact OD2-ND2 3.47Å; N449-N451 PolarHBondContact O-N 2.8Å
452	P	93.9	Very high	93.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-80.3	150.9	-177.3	34.2	-33.9	0	0	0	110.9	R190 V192 W197 L444 E445 F446 V454	R190-P452 VanDerWaalsContact O-CD 3.23Å; R190-P452 WeakPolarHBondContact O-CD 3.43Å; R190-P452 WeakPolarHBondContact O-CG 3.43Å; V192-P452 VanDerWaalsContact O-CD 3.31Å; V192-P452 WeakPolarHBondContact O-CD 3.29Å; V192-P452 VanDerWaalsContact O-CG 3.26Å; V192-P452 WeakPolarHBondContact O-CG 3.46Å; W197-P452 WeakPolarHBondContact CH2-O 3.49Å; W197-P452 WeakPolarHBondContact CZ3-O 3.26Å; L444-P452 HydrophobicContact CD1-CB 3.65Å; E445-P452 CarbonylContact O-C 3.5Å; E445-P452 WeakPolarHBondContact O-CA 3.12Å; F446-P452 HydrophobicContact CE1-CB 4.49Å; P452-V454 HydrophobicContact CB-CB 4.48Å; P452-V454 HydrophobicContact CB-CG2 4.05Å; P452-V454 HydrophobicContact CG-CB 4.44Å; P452-V454 HydrophobicContact CG-CG2 4.45Å; P452-V454 PolarHBondContact O-N 3Å
453	N	92.6	Very high	93.6	Very high	82 Å²	82	38.3 Å²	38.3	44%	0.439	19%	0.19	S	C	.	.	S	Bend	trans	-70.6	37	172.4	67.5	-18.2	0	0	0	114.5	I443 E445	I443-N453 PolarHBondContact O-ND2 2.84Å; I443-N453 PolarHBondContact O-OD1 2.65Å; E445-N453 PolarHBondContact N-OD1 2.76Å; E445-N453 VanDerWaalsContact N-OD1 3.12Å; E445-N453 PolarHBondContact O-N 3.45Å
454	V	90.7	Very high	93.2	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.097	19%	0.19	C	C	.	.			trans	-104	129.6	-175.8	178.9	0	0	0	0	110.7	P193 W197 K328 L329 L444 P452	P193-V454 WeakPolarHBondContact CB-O 3.23Å; P193-V454 HydrophobicContact CG-CB 4.04Å; P193-V454 HydrophobicContact CG-CG1 3.89Å; P193-V454 VanDerWaalsContact CG-O 3.3Å; P193-V454 WeakPolarHBondContact CG-O 3.45Å; W197-V454 VanDerWaalsContact CZ3-O 3.32Å; W197-V454 WeakPolarHBondContact CZ3-O 3.31Å; K328-V454 HydrophobicContact CB-CG1 4.35Å; L329-V454 HydrophobicContact CD2-CG1 3.83Å; L329-V454 HydrophobicContact CD2-CG2 4.2Å; L444-V454 HydrophobicContact CD1-CG2 3.93Å; P452-V454 HydrophobicContact CB-CB 4.48Å; P452-V454 HydrophobicContact CB-CG2 4.05Å; P452-V454 HydrophobicContact CG-CB 4.44Å; P452-V454 HydrophobicContact CG-CG2 4.45Å; P452-V454 PolarHBondContact O-N 3Å
455	G	90.7	Very high	92.3	Very high	11 Å²	11	45.9 Å²	45.9	11%	0.113	24%	0.235	C	C	.	.			trans	-94.4	-165.3	176.8	0	0	0	0	0	114.1	K328 Y477	K328-G455 WeakPolarHBondContact CB-O 3.23Å; K328-G455 PolarHBondContact N-O 3.38Å; G455-Y477 WeakPolarHBondContact CA-O 3.26Å
456	Y	94.9	Very high	91.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.6	176.5	-66.1	-87.2	0	0	0	112.2	P193 S194 W197 Q198 F325 V326 D327 N476 Y477	P193-Y456 HydrophobicContact CB-CE2 3.76Å; P193-Y456 WeakPolarHBondContact CB-OH 3.47Å; P193-Y456 HydrophobicContact CG-CE1 4.23Å; P193-Y456 HydrophobicContact CG-CE2 4.1Å; P193-Y456 PolarHBondContact O-OH 3.47Å; S194-Y456 PolarHBondContact O-OH 3.49Å; W197-Y456 HydrophobicContact CB-CE2 4.04Å; Q198-Y456 HydrophobicContact CB-CE1 4.36Å; Q198-Y456 HydrophobicContact CB-CE2 3.92Å; Q198-Y456 VanDerWaalsContact NE2-CE1 3.33Å; F325-Y456 HydrophobicContact CB-CD1 3.82Å; F325-Y456 HydrophobicContact CB-CG 4.14Å; V326-Y456 CarbonylContact O-C 3.54Å; V326-Y456 VanDerWaalsContact O-CA 3.3Å; V326-Y456 WeakPolarHBondContact O-CA 3.26Å; D327-Y456 WeakPolarHBondContact OD1-CE1 3.42Å; Y456-N476 CarbonylContact O-C 3.56Å; Y456-N476 WeakPolarHBondContact O-CA 3.31Å; Y456-Y477 HydrophobicContact CD2-CD1 4.26Å; Y456-Y477 PolarHBondContact N-O 3.44Å; Y456-Y477 PolarHBondContact O-N 3.01Å
457	K	94.6	Very high	90	Very high	71 Å²	71	46.3 Å²	46.3	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.4	160	-55.5	177.9	-173.4	170.3	0	108.3	F325 V326 K328 L459	F325-K457 CarbonylContact C-O 3.28Å; F325-K457 WeakPolarHBondContact CA-O 3.46Å; V326-K457 HydrophobicContact CG1-CB 3.79Å; V326-K457 PolarHBondContact N-O 3.35Å; V326-K457 PolarHBondContact O-N 3.02Å; K328-K457 HydrophobicContact CB-CG 4.48Å; K328-K457 HydrophobicContact CG-CG 4.32Å; K457-L459 HydrophobicContact CB-CD2 4.49Å
458	L	96.4	Very high	89.4	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.3	172.2	179.7	62.9	0	0	0	108.4	L205 F325 N473 V474 G475 I484 F489	L205-L458 HydrophobicContact CD1-CD2 3.7Å; L205-L458 HydrophobicContact CD2-CD1 4.27Å; L205-L458 HydrophobicContact CD2-CD2 4.36Å; F325-L458 HydrophobicContact CD1-CB 4.46Å; F325-L458 HydrophobicContact CD1-CD1 4.25Å; F325-L458 HydrophobicContact CD2-CD1 4.4Å; F325-L458 HydrophobicContact CE1-CB 4.25Å; F325-L458 HydrophobicContact CE1-CD1 3.91Å; F325-L458 HydrophobicContact CE2-CD1 4.06Å; F325-L458 HydrophobicContact CG-CD1 4.49Å; F325-L458 HydrophobicContact CZ-CD1 3.83Å; L458-N473 PolarHBondContact O-OD1 3.09Å; L458-V474 HydrophobicContact CB-CG2 4.28Å; L458-V474 HydrophobicContact CD2-CG2 3.91Å; L458-V474 HydrophobicContact CG-CG2 3.67Å; L458-V474 WeakPolarHBondContact O-CG2 3.27Å; L458-V474 PolarHBondContact O-N 3.39Å; L458-G475 PolarHBondContact N-O 2.86Å; L458-G475 PolarHBondContact O-N 3.36Å; L458-I484 HydrophobicContact CD2-CG2 4.03Å; L458-F489 HydrophobicContact CD2-CE1 4.31Å; L458-F489 HydrophobicContact CD2-CZ 3.89Å
459	L	95.4	Very high	89.2	Confident	19 Å²	19	43 Å²	43	10%	0.099	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.2	179.8	-59.2	-175.8	0	0	0	110.5	I305 I306 M323 G324 V326 K457 F471 K472 N473	I305-L459 HydrophobicContact CG1-CB 4.47Å; I306-L459 HydrophobicContact CG2-CD1 4Å; M323-L459 CarbonylContact C-O 3.22Å; M323-L459 WeakPolarHBondContact CA-O 3.49Å; M323-L459 WeakPolarHBondContact CB-O 3.37Å; G324-L459 PolarHBondContact N-O 3.17Å; G324-L459 PolarHBondContact O-N 3.25Å; V326-L459 HydrophobicContact CB-CD1 4.04Å; V326-L459 HydrophobicContact CG1-CD1 3.5Å; V326-L459 HydrophobicContact CG1-CD2 4.41Å; V326-L459 HydrophobicContact CG1-CG 3.74Å; K457-L459 HydrophobicContact CB-CD2 4.49Å; L459-F471 HydrophobicContact CD1-CB 4.18Å; L459-K472 CarbonylContact C-O 3.47Å; L459-K472 WeakPolarHBondContact CA-O 3.41Å; L459-N473 HydrophobicContact CD2-CB 3.99Å
460	E	95.8	Very high	89	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	139	167.7	-178.2	178	-126.3	0	0	109.3	T321 M323 K472 V474 F489 E490	T321-E460 HydrophobicContact CG2-CG 4.49Å; M323-E460 HydrophobicContact CB-CB 4.38Å; E460-K472 PolarHBondContact N-O 2.77Å; E460-K472 PolarHBondContact O-N 3.07Å; E460-V474 HydrophobicContact CB-CG1 4Å; E460-V474 HydrophobicContact CB-CG2 4.3Å; E460-F489 WeakPolarHBondContact OE2-CA 3.34Å; E460-E490 VanDerWaalsContact CD-N 3.32Å; E460-E490 PolarHBondContact OE1-N 2.88Å; E460-E490 VanDerWaalsContact OE1-O 3.11Å; E460-E490 PolarHBondContact OE2-N 3.13Å
461	W	95.1	Very high	88.9	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.1	171.7	-74.1	21.3	0	0	0	109.8	W304 I305 L310 I311 I316 I322 W463 V469 F471	W304-W461 HydrophobicContact CZ3-CZ2 4.3Å; I305-W461 WeakPolarHBondContact O-CZ2 3.49Å; I305-W461 PolarHBondContact O-NE1 3.48Å; L310-W461 HydrophobicContact CB-CH2 4.02Å; I311-W461 HydrophobicContact CG1-CH2 3.95Å; I311-W461 HydrophobicContact CG1-CZ2 3.92Å; I316-W461 HydrophobicContact CG1-CZ3 3.86Å; I316-W461 HydrophobicContact CG2-CZ3 4.25Å; I322-W461 HydrophobicContact CB-CB 4.16Å; I322-W461 HydrophobicContact CB-CD2 4.01Å; I322-W461 HydrophobicContact CB-CE3 4.21Å; I322-W461 HydrophobicContact CB-CG 4.01Å; I322-W461 HydrophobicContact CD1-CD2 4.22Å; I322-W461 HydrophobicContact CD1-CE3 3.58Å; I322-W461 HydrophobicContact CD1-CH2 4.43Å; I322-W461 HydrophobicContact CD1-CZ3 3.7Å; I322-W461 HydrophobicContact CG1-CE3 4.46Å; I322-W461 HydrophobicContact CG2-CD2 3.86Å; I322-W461 HydrophobicContact CG2-CE3 4.3Å; I322-W461 HydrophobicContact CG2-CG 4.04Å; I322-W461 HydrophobicContact CG2-CZ2 4.48Å; I322-W461 PolarHBondContact O-N 3.05Å; W461-W463 AromaticContact CE3-CH2 3.65Å; W461-W463 HydrophobicContact CE3-CH2 3.65Å; W461-W463 AromaticContact CE3-CZ3 3.98Å; W461-W463 HydrophobicContact CE3-CZ3 3.98Å; W461-W463 HydrophobicContact CZ3-CH2 4.31Å; W461-V469 HydrophobicContact CB-CG1 4.04Å; W461-V469 HydrophobicContact CD2-CG1 3.64Å; W461-V469 HydrophobicContact CE3-CG1 3.69Å; W461-V469 HydrophobicContact CE3-CG2 4.31Å; W461-V469 HydrophobicContact CG-CG1 3.8Å; W461-V469 HydrophobicContact CZ3-CG1 4.39Å; W461-V469 HydrophobicContact CZ3-CG2 4.45Å; W461-F471 AromaticContact CD1-CD1 3.75Å; W461-F471 AromaticContact CD1-CE1 3.8Å; W461-F471 AromaticContact NE1-CD1 3.81Å; W461-F471 AromaticContact NE1-CE1 3.44Å
462	T	92.1	Very high	88.8	Confident	21 Å²	21	46.7 Å²	46.7	13%	0.129	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.4	174.9	54.1	0	0	0	0	109.1	A470 K472	T462-A470 PolarHBondContact N-O 3.43Å; T462-A470 PolarHBondContact O-N 2.85Å; T462-A470 WeakPolarHBondContact OG1-CB 3.34Å; T462-A470 PolarHBondContact OG1-O 2.87Å; T462-K472 HydrophobicContact CG2-CB 3.91Å; T462-K472 HydrophobicContact CG2-CD 4.12Å
463	W	88.3	Confident	88.9	Confident	59 Å²	59	49.1 Å²	49.1	22%	0.223	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.7	-175.6	-42.6	105.1	0	0	0	109.6	I316 K317 I322 W461 V469 H492	I316-W463 HydrophobicContact CG2-CH2 4.05Å; I316-W463 HydrophobicContact CG2-CZ3 3.82Å; K317-W463 VanDerWaalsContact CA-CH2 3.46Å; K317-W463 VanDerWaalsContact CA-CZ2 3.49Å; K317-W463 HydrophobicContact CB-CD2 3.52Å; K317-W463 HydrophobicContact CB-CE3 3.56Å; K317-W463 HydrophobicContact CB-CG 4.11Å; K317-W463 HydrophobicContact CB-CH2 3.94Å; K317-W463 HydrophobicContact CB-CZ2 3.96Å; K317-W463 HydrophobicContact CB-CZ3 3.75Å; I322-W463 HydrophobicContact CD1-CH2 4.37Å; W461-W463 AromaticContact CE3-CH2 3.65Å; W461-W463 HydrophobicContact CE3-CH2 3.65Å; W461-W463 AromaticContact CE3-CZ3 3.98Å; W461-W463 HydrophobicContact CE3-CZ3 3.98Å; W461-W463 HydrophobicContact CZ3-CH2 4.31Å; W463-V469 HydrophobicContact CE3-CG2 3.99Å; W463-V469 HydrophobicContact CZ3-CG1 4.45Å; W463-V469 HydrophobicContact CZ3-CG2 3.63Å; W463-H492 AromaticContact CD1-CD2 3.47Å; W463-H492 VanDerWaalsContact CD1-CD2 3.47Å; W463-H492 AromaticContact CD1-CE1 3.82Å; W463-H492 AromaticContact CD1-NE2 3.12Å; W463-H492 AromaticContact NE1-CD2 3.39Å; W463-H492 PolarHBondContact NE1-CD2 3.18Å; W463-H492 AromaticContact NE1-CE1 3.61Å; W463-H492 AromaticContact NE1-CG 3.75Å; W463-H492 AromaticContact NE1-ND1 3.87Å; W463-H492 AromaticContact NE1-NE2 3.29Å; W463-H492 PolarHBondContact NE1-NE2 2.95Å
464	E	82.3	Confident	89	Confident	97 Å²	97	45.3 Å²	45.3	45%	0.453	25%	0.252	S	S	.	.			trans	-72.1	156.6	174.4	-67.7	-174.6	175.6	0	0	111.3	S466 G467 K468 A470	E464-S466 WeakPolarHBondContact CB-OG 3.46Å; E464-S466 PolarHBondContact O-N 3.39Å; E464-S466 VanDerWaalsContact O-N 3.11Å; E464-S466 PolarHBondContact OE2-OG 3.04Å; E464-G467 PolarHBondContact O-N 3.34Å; E464-K468 PolarHBondContact N-O 3.04Å; E464-A470 HydrophobicContact CG-CB 3.94Å
465	T	74.7	Confident	89.2	Confident	160 Å²	160	44.8 Å²	44.8	98%	0.982	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.4	173	52.6	0	0	0	0	113	G467	T465-G467 PolarHBondContact O-N 3.5Å
466	S	70.6	Confident	89.4	Confident	72 Å²	72	46.9 Å²	46.9	50%	0.503	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.7	174.2	69	0	0	0	0	113.6	E464 K468	E464-S466 WeakPolarHBondContact CB-OG 3.46Å; E464-S466 PolarHBondContact O-N 3.39Å; E464-S466 VanDerWaalsContact O-N 3.11Å; E464-S466 PolarHBondContact OE2-OG 3.04Å; S466-K468 VanDerWaalsContact C-N 3.28Å; S466-K468 WeakPolarHBondContact OG-CB 3.4Å; S466-K468 PolarHBondContact OG-N 3.43Å
467	G	70.4	Confident	89.4	Confident	59 Å²	59	47.2 Å²	47.2	61%	0.608	26%	0.26	S	S	*	.	S	Bend	trans	81.3	2.1	-172.4	0	0	0	0	0	114.2	E464 T465	E464-G467 PolarHBondContact O-N 3.34Å; T465-G467 PolarHBondContact O-N 3.5Å
468	K	81.3	Confident	89.2	Confident	144 Å²	144	48.7 Å²	48.7	63%	0.626	26%	0.264	S	S	*	.			trans	-82.1	150.4	175.2	-66.7	-175.8	178.2	-177.6	0	111.7	E464 S466	E464-K468 PolarHBondContact N-O 3.04Å; S466-K468 VanDerWaalsContact C-N 3.28Å; S466-K468 WeakPolarHBondContact OG-CB 3.4Å; S466-K468 PolarHBondContact OG-N 3.43Å
469	V	89	Confident	88.7	Confident	23 Å²	23	56.6 Å²	56.6	14%	0.139	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	128	172.8	-173.6	0	0	0	0	109.3	I311 W461 W463 F471	I311-V469 HydrophobicContact CG2-CB 3.82Å; I311-V469 HydrophobicContact CG2-CG2 3.78Å; W461-V469 HydrophobicContact CB-CG1 4.04Å; W461-V469 HydrophobicContact CD2-CG1 3.64Å; W461-V469 HydrophobicContact CE3-CG1 3.69Å; W461-V469 HydrophobicContact CE3-CG2 4.31Å; W461-V469 HydrophobicContact CG-CG1 3.8Å; W461-V469 HydrophobicContact CZ3-CG1 4.39Å; W461-V469 HydrophobicContact CZ3-CG2 4.45Å; W463-V469 HydrophobicContact CE3-CG2 3.99Å; W463-V469 HydrophobicContact CZ3-CG1 4.45Å; W463-V469 HydrophobicContact CZ3-CG2 3.63Å; V469-F471 HydrophobicContact CG1-CE1 4.2Å; V469-F471 HydrophobicContact CG1-CZ 4.42Å
470	A	91.3	Very high	88.4	Confident	23 Å²	23	60.5 Å²	60.5	19%	0.19	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.2	171	0	0	0	0	0	110.3	T462 E464	T462-A470 PolarHBondContact N-O 3.43Å; T462-A470 PolarHBondContact O-N 2.85Å; T462-A470 WeakPolarHBondContact OG1-CB 3.34Å; T462-A470 PolarHBondContact OG1-O 2.87Å; E464-A470 HydrophobicContact CG-CB 3.94Å
471	F	91.9	Very high	88.3	Confident	64 Å²	64	66.8 Å²	66.8	28%	0.281	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.2	-177.3	-51	-77.3	0	0	0	110.9	I305 I306 I311 L384 L459 W461 V469	I305-F471 WeakPolarHBondContact O-CE1 3.31Å; I306-F471 HydrophobicContact CB-CZ 4.49Å; I306-F471 HydrophobicContact CG2-CD1 4.17Å; I306-F471 HydrophobicContact CG2-CE1 4.02Å; I306-F471 HydrophobicContact CG2-CZ 4.24Å; I311-F471 HydrophobicContact CD1-CE1 4.36Å; I311-F471 HydrophobicContact CD1-CE2 4.49Å; I311-F471 HydrophobicContact CD1-CZ 3.57Å; I311-F471 HydrophobicContact CG1-CZ 4.08Å; L384-F471 HydrophobicContact CD1-CE2 3.97Å; L459-F471 HydrophobicContact CD1-CB 4.18Å; W461-F471 AromaticContact CD1-CD1 3.75Å; W461-F471 AromaticContact CD1-CE1 3.8Å; W461-F471 AromaticContact NE1-CD1 3.81Å; W461-F471 AromaticContact NE1-CE1 3.44Å; V469-F471 HydrophobicContact CG1-CE1 4.2Å; V469-F471 HydrophobicContact CG1-CZ 4.42Å
472	K	93.6	Very high	88.3	Confident	57 Å²	57	67.4 Å²	67.4	25%	0.248	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.6	177.9	-167.6	-180	-171.8	-176.7	0	109.9	L459 E460 T462 V474 R488 E490	L459-K472 CarbonylContact C-O 3.47Å; L459-K472 WeakPolarHBondContact CA-O 3.41Å; E460-K472 PolarHBondContact N-O 2.77Å; E460-K472 PolarHBondContact O-N 3.07Å; T462-K472 HydrophobicContact CG2-CB 3.91Å; T462-K472 HydrophobicContact CG2-CD 4.12Å; K472-V474 HydrophobicContact CD-CG1 4.44Å; K472-V474 HydrophobicContact CG-CG1 4.3Å; K472-V474 PolarHBondContact O-N 2.03Å; K472-R488 WeakPolarHBondContact CE-O 3.38Å; K472-R488 PolarHBondContact NZ-O 2.78Å; K472-E490 IonicContact NZ-OE1 2.76Å; K472-E490 PolarHBondContact NZ-OE1 3.25Å
473	N	94.7	Very high	88.5	Confident	51 Å²	51	70.7 Å²	70.7	27%	0.273	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	113.9	173.8	-176	-4.4	0	0	0	110.7	L458 L459 G475 R488	L458-N473 PolarHBondContact O-OD1 3.09Å; L459-N473 HydrophobicContact CD2-CB 3.99Å; N473-G475 PolarHBondContact OD1-N 2.63Å; N473-G475 VanDerWaalsContact OD1-N 3.17Å; N473-G475 PolarHBondContact OD1-O 3.47Å; N473-R488 PolarHBondContact O-NH1 2.87Å
474	V	95	Very high	88.7	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.018	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-7.8	-176.3	-62.7	0	0	0	0	113.2	L458 E460 K472 N485 R488 F489	L458-V474 HydrophobicContact CB-CG2 4.28Å; L458-V474 HydrophobicContact CD2-CG2 3.91Å; L458-V474 HydrophobicContact CG-CG2 3.67Å; L458-V474 WeakPolarHBondContact O-CG2 3.27Å; L458-V474 PolarHBondContact O-N 3.39Å; E460-V474 HydrophobicContact CB-CG1 4Å; E460-V474 HydrophobicContact CB-CG2 4.3Å; K472-V474 HydrophobicContact CD-CG1 4.44Å; K472-V474 HydrophobicContact CG-CG1 4.3Å; K472-V474 PolarHBondContact O-N 2.03Å; V474-N485 PolarHBondContact O-N 3.46Å; V474-R488 HydrophobicContact CG1-CB 4.08Å; V474-F489 HydrophobicContact CB-CD1 4.4Å; V474-F489 HydrophobicContact CB-CD2 4.26Å; V474-F489 HydrophobicContact CB-CE1 4.07Å; V474-F489 HydrophobicContact CB-CE2 3.91Å; V474-F489 HydrophobicContact CB-CZ 3.82Å; V474-F489 HydrophobicContact CG2-CD1 4.19Å; V474-F489 HydrophobicContact CG2-CE1 3.55Å; V474-F489 HydrophobicContact CG2-CE2 4.17Å; V474-F489 HydrophobicContact CG2-CZ 3.54Å
475	G	95.1	Very high	89	Confident	4 Å²	4	68.9 Å²	68.9	4%	0.041	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	170.5	177.4	0	0	0	0	0	114.4	L458 N473 F483	L458-G475 PolarHBondContact N-O 2.86Å; L458-G475 PolarHBondContact O-N 3.36Å; N473-G475 PolarHBondContact OD1-N 2.63Å; N473-G475 VanDerWaalsContact OD1-N 3.17Å; N473-G475 PolarHBondContact OD1-O 3.47Å; G475-F483 CarbonylContact C-O 3.44Å; G475-F483 WeakPolarHBondContact CA-O 3.28Å
476	N	95.4	Very high	89.4	Confident	56 Å²	56	64.2 Å²	64.2	30%	0.299	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.9	176	-56.1	-83.8	0	0	0	110	Y456 Y478 F483	Y456-N476 CarbonylContact O-C 3.56Å; Y456-N476 WeakPolarHBondContact O-CA 3.31Å; N476-Y478 HydrophobicContact CB-CD1 4.48Å; N476-F483 PolarHBondContact N-O 3.03Å; N476-F483 PolarHBondContact O-N 2.95Å
477	Y	94.8	Very high	90.2	Very high	6 Å²	6	65.8 Å²	65.8	2%	0.024	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.7	173.2	-178.7	-89.9	0	0	0	109.5	W197 D200 A201 G455 Y456 N480 K481 L482	W197-Y477 HydrophobicContact CB-CE1 3.83Å; W197-Y477 HydrophobicContact CG-CE1 4.39Å; D200-Y477 WeakPolarHBondContact OD2-CE2 3.38Å; D200-Y477 PolarHBondContact OD2-OH 3.2Å; A201-Y477 HydrophobicContact CB-CD1 4.43Å; A201-Y477 HydrophobicContact CB-CD2 3.39Å; A201-Y477 HydrophobicContact CB-CE2 3.73Å; A201-Y477 HydrophobicContact CB-CG 3.75Å; G455-Y477 WeakPolarHBondContact CA-O 3.26Å; Y456-Y477 HydrophobicContact CD2-CD1 4.26Å; Y456-Y477 PolarHBondContact N-O 3.44Å; Y456-Y477 PolarHBondContact O-N 3.01Å; Y477-N480 WeakPolarHBondContact OH-CA 3.49Å; Y477-K481 WeakPolarHBondContact CA-O 3.45Å; Y477-L482 HydrophobicContact CD2-CB 4.11Å; Y477-L482 HydrophobicContact CD2-CD1 4.47Å
478	Y	89.3	Confident	91.1	Very high	103 Å²	103	68.9 Å²	68.9	40%	0.404	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	152.9	175.2	67.9	-87.3	0	0	0	109.5	N476 N480 K481 F483	N476-Y478 HydrophobicContact CB-CD1 4.48Å; Y478-N480 VanDerWaalsContact C-N 3.26Å; Y478-N480 PolarHBondContact O-N 3.13Å; Y478-K481 PolarHBondContact N-O 2.77Å; Y478-K481 VanDerWaalsContact N-O 3.16Å; Y478-K481 PolarHBondContact O-N 3.05Å; Y478-K481 VanDerWaalsContact O-N 3.1Å; Y478-F483 AromaticContact CD1-CD2 3.69Å; Y478-F483 HydrophobicContact CD1-CD2 3.69Å; Y478-F483 AromaticContact CD1-CE2 3.71Å; Y478-F483 HydrophobicContact CD1-CE2 3.71Å; Y478-F483 HydrophobicContact CD2-CE2 4.29Å; Y478-F483 AromaticContact CE1-CD2 3.16Å; Y478-F483 HydrophobicContact CE1-CD2 3.16Å; Y478-F483 AromaticContact CE1-CE2 3.15Å; Y478-F483 HydrophobicContact CE1-CE2 3.15Å; Y478-F483 HydrophobicContact CE1-CG 4.02Å; Y478-F483 AromaticContact CE1-CZ 3.99Å; Y478-F483 HydrophobicContact CE1-CZ 3.99Å; Y478-F483 AromaticContact CE2-CE2 3.8Å; Y478-F483 HydrophobicContact CE2-CE2 3.8Å; Y478-F483 HydrophobicContact CE2-CZ 4.19Å; Y478-F483 HydrophobicContact CG-CE2 4.25Å; Y478-F483 AromaticContact CZ-CD2 3.71Å; Y478-F483 AromaticContact CZ-CE2 3.18Å; Y478-F483 AromaticContact CZ-CZ 3.6Å; Y478-F483 WeakPolarHBondContact OH-CE2 3.38Å; Y478-F483 WeakPolarHBondContact OH-CZ 3.33Å
479	Q	86.1	Confident	91.6	Very high	167 Å²	167	62.8 Å²	62.8	78%	0.78	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	43.2	-179.6	-66.7	176	-14.6	0	0	113.5	K481	Q479-K481 PolarHBondContact O-N 3.28Å
480	N	89.1	Confident	91.7	Very high	101 Å²	101	65.9 Å²	65.9	54%	0.54	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	23.8	-180	-55.6	-21	0	0	0	115.2	Q204 Y477 Y478	Q204-N480 PolarHBondContact NE2-O 3.11Å; Q204-N480 VanDerWaalsContact NE2-O 3.09Å; Y477-N480 WeakPolarHBondContact OH-CA 3.49Å; Y478-N480 VanDerWaalsContact C-N 3.26Å; Y478-N480 PolarHBondContact O-N 3.13Å
481	K	94.2	Very high	91.7	Very high	132 Å²	132	66.1 Å²	66.1	57%	0.574	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.8	177.3	-70.5	-174.2	179.5	-178.5	0	111.4	Y477 Y478 Q479 F483	Y477-K481 WeakPolarHBondContact CA-O 3.45Å; Y478-K481 PolarHBondContact N-O 2.77Å; Y478-K481 VanDerWaalsContact N-O 3.16Å; Y478-K481 PolarHBondContact O-N 3.05Å; Y478-K481 VanDerWaalsContact O-N 3.1Å; Q479-K481 PolarHBondContact O-N 3.28Å; K481-F483 HydrophobicContact CB-CD2 4.43Å; K481-F483 HydrophobicContact CB-CE2 3.7Å; K481-F483 HydrophobicContact CB-CZ 3.95Å; K481-F483 HydrophobicContact CD-CZ 4.37Å
482	L	95.6	Very high	91.7	Very high	13 Å²	13	66.1 Å²	66.1	7%	0.068	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125	170.3	-175.1	67.3	0	0	0	110	Q204 L205 F325 Y477 I484	Q204-L482 HydrophobicContact CB-CB 3.94Å; Q204-L482 HydrophobicContact CB-CD2 4.15Å; L205-L482 HydrophobicContact CB-CD2 3.8Å; L205-L482 HydrophobicContact CD1-CD2 4.13Å; F325-L482 HydrophobicContact CE1-CD1 4.03Å; Y477-L482 HydrophobicContact CD2-CB 4.11Å; Y477-L482 HydrophobicContact CD2-CD1 4.47Å; L482-I484 HydrophobicContact CD1-CG2 4.24Å; L482-I484 HydrophobicContact CD2-CG2 3.7Å; L482-I484 HydrophobicContact CG-CG2 3.72Å
483	F	95.2	Very high	91.2	Very high	90 Å²	90	65.2 Å²	65.2	40%	0.395	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	108	173	-60.3	-91	0	0	0	108.5	G475 N476 Y478 K481	G475-F483 CarbonylContact C-O 3.44Å; G475-F483 WeakPolarHBondContact CA-O 3.28Å; N476-F483 PolarHBondContact N-O 3.03Å; N476-F483 PolarHBondContact O-N 2.95Å; Y478-F483 AromaticContact CD1-CD2 3.69Å; Y478-F483 HydrophobicContact CD1-CD2 3.69Å; Y478-F483 AromaticContact CD1-CE2 3.71Å; Y478-F483 HydrophobicContact CD1-CE2 3.71Å; Y478-F483 HydrophobicContact CD2-CE2 4.29Å; Y478-F483 AromaticContact CE1-CD2 3.16Å; Y478-F483 HydrophobicContact CE1-CD2 3.16Å; Y478-F483 AromaticContact CE1-CE2 3.15Å; Y478-F483 HydrophobicContact CE1-CE2 3.15Å; Y478-F483 HydrophobicContact CE1-CG 4.02Å; Y478-F483 AromaticContact CE1-CZ 3.99Å; Y478-F483 HydrophobicContact CE1-CZ 3.99Å; Y478-F483 AromaticContact CE2-CE2 3.8Å; Y478-F483 HydrophobicContact CE2-CE2 3.8Å; Y478-F483 HydrophobicContact CE2-CZ 4.19Å; Y478-F483 HydrophobicContact CG-CE2 4.25Å; Y478-F483 AromaticContact CZ-CD2 3.71Å; Y478-F483 AromaticContact CZ-CE2 3.18Å; Y478-F483 AromaticContact CZ-CZ 3.6Å; Y478-F483 WeakPolarHBondContact OH-CE2 3.38Å; Y478-F483 WeakPolarHBondContact OH-CZ 3.33Å; K481-F483 HydrophobicContact CB-CD2 4.43Å; K481-F483 HydrophobicContact CB-CE2 3.7Å; K481-F483 HydrophobicContact CB-CZ 3.95Å; K481-F483 HydrophobicContact CD-CZ 4.37Å
484	I	93.9	Very high	90.5	Very high	40 Å²	40	72 Å²	72	21%	0.205	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	155	176.7	63.1	167.3	0	0	0	111.6	L205 E208 F209 L458 L482 F489	L205-I484 HydrophobicContact CD1-CG2 4.29Å; E208-I484 HydrophobicContact CB-CD1 3.53Å; E208-I484 HydrophobicContact CG-CD1 3.61Å; E208-I484 HydrophobicContact CG-CG1 4.22Å; F209-I484 HydrophobicContact CE2-CD1 4.48Å; F209-I484 HydrophobicContact CZ-CD1 4.27Å; L458-I484 HydrophobicContact CD2-CG2 4.03Å; L482-I484 HydrophobicContact CD1-CG2 4.24Å; L482-I484 HydrophobicContact CD2-CG2 3.7Å; L482-I484 HydrophobicContact CG-CG2 3.72Å; I484-F489 HydrophobicContact CB-CE2 4.29Å
485	N	88	Confident	90	Very high	78 Å²	78	78 Å²	78	42%	0.417	39%	0.39	S	S	.	.			trans	-117.2	97.4	164.8	-172.9	-19.1	0	0	0	109.2	V474 S487 R488 F489	V474-N485 PolarHBondContact O-N 3.46Å; N485-S487 PolarHBondContact O-N 3Å; N485-S487 VanDerWaalsContact O-N 3.11Å; N485-S487 PolarHBondContact OD1-N 2.82Å; N485-S487 PolarHBondContact OD1-OG 3.15Å; N485-R488 HydrophobicContact CB-CG 3.99Å; N485-R488 WeakPolarHBondContact O-CB 3.11Å; N485-R488 PolarHBondContact O-N 2.97Å; N485-F489 WeakPolarHBondContact O-CD2 3.35Å
486	A	83.6	Confident	89.7	Confident	62 Å²	62	82.1 Å²	82.1	51%	0.512	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-55.6	-29.4	-175.5	0	0	0	0	0	113.5	R488	A486-R488 PolarHBondContact O-N 3.44Å
487	S	86.2	Confident	89.4	Confident	106 Å²	106	83.1 Å²	83.1	74%	0.741	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-75.3	-7.6	-179.9	78.4	0	0	0	0	113.9	N485	N485-S487 PolarHBondContact O-N 3Å; N485-S487 VanDerWaalsContact O-N 3.11Å; N485-S487 PolarHBondContact OD1-N 2.82Å; N485-S487 PolarHBondContact OD1-OG 3.15Å
488	R	89.3	Confident	89.3	Confident	123 Å²	123	85.6 Å²	85.6	46%	0.464	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-93	-13	179.5	-61.7	-172.1	111.5	-171.8	9.5	113.3	K472 N473 V474 N485 A486	K472-R488 WeakPolarHBondContact CE-O 3.38Å; K472-R488 PolarHBondContact NZ-O 2.78Å; N473-R488 PolarHBondContact O-NH1 2.87Å; V474-R488 HydrophobicContact CG1-CB 4.08Å; N485-R488 HydrophobicContact CB-CG 3.99Å; N485-R488 WeakPolarHBondContact O-CB 3.11Å; N485-R488 PolarHBondContact O-N 2.97Å; A486-R488 PolarHBondContact O-N 3.44Å
489	F	91.6	Very high	89.4	Confident	17 Å²	17	81.8 Å²	81.8	8%	0.075	43%	0.429	C	S	.	.			trans	-73.9	140.5	-179.2	-71.6	-96.7	0	0	0	111.7	F209 M323 L458 E460 V474 I484 N485 W491	F209-F489 HydrophobicContact CE2-CE1 4.13Å; F209-F489 HydrophobicContact CE2-CE2 4.44Å; F209-F489 HydrophobicContact CE2-CZ 4.02Å; F209-F489 HydrophobicContact CZ-CD1 4.25Å; F209-F489 HydrophobicContact CZ-CD2 4Å; F209-F489 HydrophobicContact CZ-CE1 4.08Å; F209-F489 AromaticContact CZ-CE2 3.82Å; F209-F489 HydrophobicContact CZ-CE2 3.82Å; F209-F489 HydrophobicContact CZ-CG 4.2Å; F209-F489 AromaticContact CZ-CZ 3.85Å; F209-F489 HydrophobicContact CZ-CZ 3.85Å; M323-F489 HydrophobicContact CE-CD1 4.26Å; M323-F489 HydrophobicContact CE-CE1 4.3Å; M323-F489 HydrophobicContact SD-CD1 4.49Å; M323-F489 HydrophobicContact SD-CE1 3.95Å; L458-F489 HydrophobicContact CD2-CE1 4.31Å; L458-F489 HydrophobicContact CD2-CZ 3.89Å; E460-F489 WeakPolarHBondContact OE2-CA 3.34Å; V474-F489 HydrophobicContact CB-CD1 4.4Å; V474-F489 HydrophobicContact CB-CD2 4.26Å; V474-F489 HydrophobicContact CB-CE1 4.07Å; V474-F489 HydrophobicContact CB-CE2 3.91Å; V474-F489 HydrophobicContact CB-CZ 3.82Å; V474-F489 HydrophobicContact CG2-CD1 4.19Å; V474-F489 HydrophobicContact CG2-CE1 3.55Å; V474-F489 HydrophobicContact CG2-CE2 4.17Å; V474-F489 HydrophobicContact CG2-CZ 3.54Å; I484-F489 HydrophobicContact CB-CE2 4.29Å; N485-F489 WeakPolarHBondContact O-CD2 3.35Å; F489-W491 HydrophobicContact CB-CZ2 3.99Å; F489-W491 HydrophobicContact CD1-CH2 4.37Å; F489-W491 HydrophobicContact CD1-CZ2 4.14Å; F489-W491 HydrophobicContact CG-CZ2 4.16Å
490	E	91.6	Very high	89.6	Confident	88 Å²	88	80.9 Å²	80.9	41%	0.411	43%	0.429	S	S	.	.			trans	-118.3	100.4	176.4	-73.8	175.3	-152.1	0	0	109.7	E460 K472 H492	E460-E490 VanDerWaalsContact CD-N 3.32Å; E460-E490 PolarHBondContact OE1-N 2.88Å; E460-E490 VanDerWaalsContact OE1-O 3.11Å; E460-E490 PolarHBondContact OE2-N 3.13Å; K472-E490 IonicContact NZ-OE1 2.76Å; K472-E490 PolarHBondContact NZ-OE1 3.25Å; E490-H492 PolarHBondContact O-CE1 2.86Å; E490-H492 VanDerWaalsContact O-CE1 3.25Å; E490-H492 PolarHBondContact O-N 3.37Å; E490-H492 PolarHBondContact O-ND1 3.37Å
491	W	92.3	Very high	89.8	Confident	28 Å²	28	76.2 Å²	76.2	11%	0.106	40%	0.404	C	S	.	.			trans	-79.7	117.1	-176.1	-59.2	101.4	0	0	0	111.7	F209 W211 V297 T321 M323 F489 T493 S496 V498	F209-W491 HydrophobicContact CD1-CH2 4.4Å; F209-W491 HydrophobicContact CD1-CZ2 4.11Å; F209-W491 HydrophobicContact CD2-CH2 4.31Å; F209-W491 HydrophobicContact CE1-CH2 4.18Å; F209-W491 AromaticContact CE1-CZ2 3.61Å; F209-W491 HydrophobicContact CE1-CZ2 3.61Å; F209-W491 HydrophobicContact CE2-CH2 4.05Å; F209-W491 HydrophobicContact CE2-CZ2 4.2Å; F209-W491 HydrophobicContact CG-CH2 4.48Å; F209-W491 AromaticContact CZ-CH2 3.99Å; F209-W491 HydrophobicContact CZ-CH2 3.99Å; F209-W491 AromaticContact CZ-CZ2 3.66Å; F209-W491 HydrophobicContact CZ-CZ2 3.66Å; W211-W491 AromaticContact CH2-CH2 3.59Å; W211-W491 HydrophobicContact CH2-CH2 3.59Å; W211-W491 AromaticContact CH2-CZ3 3.79Å; W211-W491 HydrophobicContact CH2-CZ3 3.79Å; W211-W491 AromaticContact CZ2-CH2 3.62Å; W211-W491 HydrophobicContact CZ2-CH2 3.62Å; W211-W491 AromaticContact CZ2-CZ3 3.72Å; W211-W491 HydrophobicContact CZ2-CZ3 3.72Å; V297-W491 HydrophobicContact CG2-CE3 4.48Å; V297-W491 HydrophobicContact CG2-CZ3 4.19Å; T321-W491 HydrophobicContact CG2-CE3 4.41Å; M323-W491 HydrophobicContact CE-CH2 3.78Å; M323-W491 HydrophobicContact CE-CZ3 3.58Å; F489-W491 HydrophobicContact CB-CZ2 3.99Å; F489-W491 HydrophobicContact CD1-CH2 4.37Å; F489-W491 HydrophobicContact CD1-CZ2 4.14Å; F489-W491 HydrophobicContact CG-CZ2 4.16Å; W491-T493 PolarHBondContact O-N 3.36Å; W491-T493 VanDerWaalsContact O-N 3.16Å; W491-S496 WeakPolarHBondContact O-CA 3.22Å; W491-V498 HydrophobicContact CD2-CG2 4.35Å; W491-V498 HydrophobicContact CH2-CG1 4.26Å; W491-V498 HydrophobicContact CH2-CG2 4.49Å; W491-V498 HydrophobicContact CZ2-CB 4.31Å; W491-V498 HydrophobicContact CZ2-CG1 4.21Å; W491-V498 HydrophobicContact CZ2-CG2 3.66Å
492	H	90.5	Very high	89.7	Confident	63 Å²	63	72.7 Å²	72.7	29%	0.292	39%	0.394	S	S	.	.			trans	-90.4	54.9	173.7	-56.9	87.8	0	0	0	110.2	G320 T321 W463 E490	G320-H492 WeakPolarHBondContact CA-O 3.12Å; T321-H492 PolarHBondContact OG1-N 2.85Å; W463-H492 AromaticContact CD1-CD2 3.47Å; W463-H492 VanDerWaalsContact CD1-CD2 3.47Å; W463-H492 AromaticContact CD1-CE1 3.82Å; W463-H492 AromaticContact CD1-NE2 3.12Å; W463-H492 AromaticContact NE1-CD2 3.39Å; W463-H492 PolarHBondContact NE1-CD2 3.18Å; W463-H492 AromaticContact NE1-CE1 3.61Å; W463-H492 AromaticContact NE1-CG 3.75Å; W463-H492 AromaticContact NE1-ND1 3.87Å; W463-H492 AromaticContact NE1-NE2 3.29Å; W463-H492 PolarHBondContact NE1-NE2 2.95Å; E490-H492 PolarHBondContact O-CE1 2.86Å; E490-H492 VanDerWaalsContact O-CE1 3.25Å; E490-H492 PolarHBondContact O-N 3.37Å; E490-H492 PolarHBondContact O-ND1 3.37Å
493	T	84.3	Confident	89.5	Confident	38 Å²	38	74.3 Å²	74.3	23%	0.233	41%	0.406	C	S	.	.	S	Bend	trans	-111.6	164.7	176	61.7	0	0	0	0	109.9	W491 N495 S496 T497 P499	W491-T493 PolarHBondContact O-N 3.36Å; W491-T493 VanDerWaalsContact O-N 3.16Å; T493-N495 PolarHBondContact O-N 3.35Å; T493-N495 VanDerWaalsContact O-N 3.08Å; T493-S496 PolarHBondContact O-N 3.47Å; T493-S496 PolarHBondContact OG1-N 2.79Å; T493-T497 PolarHBondContact OG1-N 3.01Å; T493-T497 VanDerWaalsContact OG1-N 3.12Å; T493-T497 PolarHBondContact OG1-O 3.29Å; T493-P499 HydrophobicContact CG2-CB 4.28Å; T493-P499 HydrophobicContact CG2-CG 4.1Å
494	E	80.3	Confident	89.2	Confident	194 Å²	194	71 Å²	71	91%	0.907	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-36.2	-178.1	-66.6	-178.5	173.8	0	0	113.3
495	N	83.3	Confident	88.8	Confident	130 Å²	130	72.7 Å²	72.7	70%	0.695	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	8.4	-178.6	-67.3	-22.2	0	0	0	113.7	T493 T497	T493-N495 PolarHBondContact O-N 3.35Å; T493-N495 VanDerWaalsContact O-N 3.08Å; N495-T497 WeakPolarHBondContact CB-OG1 3.46Å; N495-T497 PolarHBondContact O-N 3.05Å; N495-T497 VanDerWaalsContact O-N 3.11Å
496	S	88.5	Confident	88.6	Confident	89 Å²	89	76.1 Å²	76.1	62%	0.622	43%	0.427	S	S	*	.	S	Bend	trans	51.5	33.6	-174.6	-54.1	0	0	0	0	113.9	W491 T493	W491-S496 WeakPolarHBondContact O-CA 3.22Å; T493-S496 PolarHBondContact O-N 3.47Å; T493-S496 PolarHBondContact OG1-N 2.79Å
497	T	90.6	Very high	88.9	Confident	78 Å²	78	74.1 Å²	74.1	48%	0.479	41%	0.409	S	S	.	.	S	Bend	trans	-126.9	161.2	-178.7	44.9	0	0	0	0	110.7	T493 N495 P499	T493-T497 PolarHBondContact OG1-N 3.01Å; T493-T497 VanDerWaalsContact OG1-N 3.12Å; T493-T497 PolarHBondContact OG1-O 3.29Å; N495-T497 WeakPolarHBondContact CB-OG1 3.46Å; N495-T497 PolarHBondContact O-N 3.05Å; N495-T497 VanDerWaalsContact O-N 3.11Å; T497-P499 WeakPolarHBondContact O-CD 3.46Å
498	V	91.8	Very high	89.1	Confident	57 Å²	57	71.2 Å²	71.2	35%	0.345	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-55.5	121.7	174.5	-172.3	0	0	0	0	108.6	F209 W211 W491	F209-V498 HydrophobicContact CB-CG1 4.05Å; F209-V498 HydrophobicContact CD1-CG1 3.85Å; F209-V498 HydrophobicContact CD1-CG2 4.04Å; F209-V498 HydrophobicContact CE1-CG2 4.24Å; F209-V498 HydrophobicContact CG-CG1 4.18Å; W211-V498 HydrophobicContact CZ2-CG1 3.88Å; W491-V498 HydrophobicContact CD2-CG2 4.35Å; W491-V498 HydrophobicContact CH2-CG1 4.26Å; W491-V498 HydrophobicContact CH2-CG2 4.49Å; W491-V498 HydrophobicContact CZ2-CB 4.31Å; W491-V498 HydrophobicContact CZ2-CG1 4.21Å; W491-V498 HydrophobicContact CZ2-CG2 3.66Å
499	P	91.5	Very high	89.2	Confident	24 Å²	24	69.6 Å²	69.6	16%	0.156	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-71.3	141.1	178.5	27.1	-29.9	0	0	0	110.3	W211 K271 V297 T493 T497 S501	W211-P499 HydrophobicContact CZ2-CG 4.48Å; W211-P499 PolarHBondContact NE1-O 3.3Å; K271-P499 HydrophobicContact CB-CB 4.29Å; V297-P499 HydrophobicContact CG2-CG 3.47Å; V297-P499 VanDerWaalsContact CG2-CG 3.47Å; T493-P499 HydrophobicContact CG2-CB 4.28Å; T493-P499 HydrophobicContact CG2-CG 4.1Å; T497-P499 WeakPolarHBondContact O-CD 3.46Å; P499-S501 PolarHBondContact O-N 3.12Å
500	L	90.6	Very high	89.1	Confident	148 Å²	148	68.8 Å²	68.8	78%	0.775	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-75.8	122.2	169.2	-75.2	155	0	0	0	108.8
501	S	93.5	Very high	89.1	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.021	38%	0.377	C	S	.	.			trans	-125	77.9	174.8	-152.3	0	0	0	0	108.6	T212 W213 K271 V272 P499	T212-S501 PolarHBondContact N-O 3.29Å; W213-S501 WeakPolarHBondContact CB-O 3.39Å; W213-S501 PolarHBondContact N-O 3.09Å; W213-S501 WeakPolarHBondContact O-CB 3.25Å; W213-S501 PolarHBondContact O-OG 2.83Å; K271-S501 PolarHBondContact N-OG 2.9Å; K271-S501 VanDerWaalsContact N-OG 3.15Å; V272-S501 PolarHBondContact N-OG 3.01Å; P499-S501 PolarHBondContact O-N 3.12Å
502	T	92.3	Very high	89.1	Confident	57 Å²	57	65.3 Å²	65.3	35%	0.35	38%	0.375	S	S	.	.			trans	-131.7	140.8	-178.3	55.6	0	0	0	0	109.2
503	C	91.1	Very high	89.1	Confident	47 Å²	47	64.8 Å²	64.8	32%	0.318	37%	0.37	S	S	.	.	S	Bend	trans	-70.1	-45.8	-179.6	-174.9	0	0	0	0	112.1	W213 C522	W213-C503 HydrophobicContact CB-CB 4.37Å; W213-C503 HydrophobicContact CD2-CB 3.65Å; W213-C503 HydrophobicContact CE3-CB 3.72Å; W213-C503 HydrophobicContact CG-CB 3.97Å; W213-C503 HydrophobicContact CZ3-CB 4.23Å; C503-C522 HydrophobicContact CB-CB 3.98Å; C503-C522 WeakPolarHBondContact CB-SG 3.34Å; C503-C522 VanDerWaalsContact SG-CA 3.57Å; C503-C522 WeakPolarHBondContact SG-CB 3.33Å; C503-C522 CovalentContact SG-SG 2.03Å; C503-C522 PolarHBondContact SG-SG 2.89Å
504	S	88.4	Confident	89.2	Confident	21 Å²	21	71 Å²	71	15%	0.147	39%	0.389	C	S	.	.	S	Bend	trans	-117.2	146.7	178.2	-69.5	0	0	0	0	110.9	Y523	S504-Y523 WeakPolarHBondContact CB-O 3.45Å; S504-Y523 PolarHBondContact OG-N 2.78Å; S504-Y523 PolarHBondContact OG-O 3.05Å
505	A	85.5	Confident	89.5	Confident	76 Å²	76	65.3 Å²	65.3	63%	0.628	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-63.9	159.3	171	0	0	0	0	0	111.2	Y523	A505-Y523 VanDerWaalsContact O-CE2 3.26Å; A505-Y523 WeakPolarHBondContact O-CE2 3.08Å; A505-Y523 PolarHBondContact O-OH 2.76Å
506	Q	85.3	Confident	89.4	Confident	149 Å²	149	65 Å²	65	70%	0.696	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-68.2	133.7	173.5	-166.8	170.5	11.1	0	0	110.1
507	C	88.6	Confident	89	Confident	20 Å²	20	63.9 Å²	63.9	14%	0.135	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-68.6	148.3	179	-59.5	0	0	0	0	111.9	Q511 C525	C507-Q511 HydrophobicContact CB-CB 4.04Å; C507-C525 WeakPolarHBondContact CA-SG 3.48Å; C507-C525 HydrophobicContact CB-CB 3.72Å; C507-C525 WeakPolarHBondContact CB-SG 3.37Å; C507-C525 VanDerWaalsContact SG-CA 3.51Å; C507-C525 WeakPolarHBondContact SG-CB 3.47Å; C507-C525 CovalentContact SG-SG 2.04Å; C507-C525 PolarHBondContact SG-SG 2.84Å
508	A	90.5	Very high	88.5	Confident	45 Å²	45	70.2 Å²	70.2	37%	0.372	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-74.2	161.7	176.4	0	0	0	0	0	111	G510 Q511	A508-G510 PolarHBondContact O-N 3.07Å; A508-Q511 HydrophobicContact CB-CG 4.44Å; A508-Q511 VanDerWaalsContact O-CB 3.31Å; A508-Q511 WeakPolarHBondContact O-CB 3.21Å; A508-Q511 PolarHBondContact O-N 3.5Å; A508-Q511 VanDerWaalsContact O-N 3.09Å
509	D	90.9	Very high	88.1	Confident	90 Å²	90	70.9 Å²	70.9	48%	0.481	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	135.5	175.5	-61.2	-36	0	0	0	110.3	K537 T556	D509-K537 WeakPolarHBondContact OD1-CE 3.35Å; D509-K537 IonicContact OD1-NZ 2.66Å; D509-K537 PolarHBondContact OD1-NZ 3.48Å; D509-K537 VanDerWaalsContact OD1-NZ 3.14Å; D509-T556 HydrophobicContact CB-CG2 4.07Å
510	G	89.9	Confident	87.8	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	10.1	-171.9	0	0	0	0	0	114.7	A508 C528	A508-G510 PolarHBondContact O-N 3.07Å; G510-C528 PolarHBondContact O-N 2.8Å
511	Q	92.6	Very high	87.6	Confident	34 Å²	34	66.9 Å²	66.9	16%	0.159	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.1	175.5	-57.1	-174.1	-44.7	0	0	111.9	C507 A508 C525 I526 D527 Q534 R554	C507-Q511 HydrophobicContact CB-CB 4.04Å; A508-Q511 HydrophobicContact CB-CG 4.44Å; A508-Q511 VanDerWaalsContact O-CB 3.31Å; A508-Q511 WeakPolarHBondContact O-CB 3.21Å; A508-Q511 PolarHBondContact O-N 3.5Å; A508-Q511 VanDerWaalsContact O-N 3.09Å; Q511-C525 HydrophobicContact CB-CB 4.38Å; Q511-I526 CarbonylContact C-O 3.51Å; Q511-I526 WeakPolarHBondContact CA-O 3.41Å; Q511-I526 WeakPolarHBondContact CB-O 3Å; Q511-D527 VanDerWaalsContact CG-OD1 3.23Å; Q511-D527 WeakPolarHBondContact CG-OD1 3.02Å; Q511-D527 PolarHBondContact NE2-OD1 3.37Å; Q511-Q534 PolarHBondContact O-NE2 3.43Å; Q511-R554 HydrophobicContact CG-CG 4.18Å
512	V	91.5	Very high	87.4	Confident	9 Å²	9	67.3 Å²	67.3	6%	0.055	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	156	176.6	-65.2	0	0	0	0	111.8	I526 Q534 D539 C542	V512-I526 PolarHBondContact N-O 3.45Å; V512-I526 PolarHBondContact O-N 3.1Å; V512-Q534 HydrophobicContact CG1-CG 4.44Å; V512-D539 WeakPolarHBondContact CB-O 3.43Å; V512-D539 HydrophobicContact CG1-CB 4.12Å; V512-C542 VanDerWaalsContact CG2-SG 3.53Å
513	R	89.6	Confident	87.3	Confident	52 Å²	52	66 Å²	66	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.3	-177.9	-61.9	-179.4	-176	149.1	14	110.8	Y523 D538 D539 I540	R513-Y523 HydrophobicContact CB-CD1 4.35Å; R513-Y523 HydrophobicContact CB-CD2 3.87Å; R513-Y523 HydrophobicContact CB-CE2 4.42Å; R513-Y523 HydrophobicContact CB-CG 3.85Å; R513-Y523 HydrophobicContact CG-CD1 4.35Å; R513-Y523 HydrophobicContact CG-CD2 3.68Å; R513-Y523 HydrophobicContact CG-CE1 4.37Å; R513-Y523 HydrophobicContact CG-CE2 3.73Å; R513-Y523 HydrophobicContact CG-CG 4.02Å; R513-D538 IonicContact CZ-OD1 2.67Å; R513-D538 IonicContact NH1-OD1 3.36Å; R513-D538 PolarHBondContact NH1-OD1 2.88Å; R513-D538 IonicContact NH2-OD1 2.86Å; R513-D538 PolarHBondContact NH2-OD1 3.05Å; R513-D539 PolarHBondContact N-O 3.17Å; R513-D539 VanDerWaalsContact N-O 3.08Å; R513-I540 VanDerWaalsContact O-CA 3.26Å; R513-I540 WeakPolarHBondContact O-CA 3.4Å
514	R	87.7	Confident	87.3	Confident	168 Å²	168	67.7 Å²	67.7	63%	0.634	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.6	169.2	-170.3	170.3	-171.5	154.9	-1.5	110.9	K516 Y523 D524 I526	R514-K516 PolarHBondContact O-N 3.43Å; R514-Y523 CarbonylContact O-C 3.59Å; R514-Y523 WeakPolarHBondContact O-CA 3.34Å; R514-Y523 VanDerWaalsContact O-CB 3.28Å; R514-Y523 WeakPolarHBondContact O-CB 3.22Å; R514-D524 PolarHBondContact N-O 3.34Å; R514-D524 PolarHBondContact O-N 2.85Å; R514-I526 HydrophobicContact CB-CD1 3.57Å; R514-I526 HydrophobicContact CB-CG1 4.14Å; R514-I526 HydrophobicContact CG-CD1 4.05Å
515	V	86.2	Confident	87.4	Confident	74 Å²	74	69 Å²	69	45%	0.448	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	133.9	-179	-179.4	0	0	0	0	111.3	C522	V515-C522 CarbonylContact C-O 3.54Å; V515-C522 WeakPolarHBondContact CA-O 3.38Å
516	K	80.8	Confident	87.7	Confident	124 Å²	124	68.5 Å²	68.5	54%	0.539	36%	0.36	S	S	.	.			trans	-112.6	116.3	-179.1	-176	179	-174.8	170	0	109.7	R514 C522 D524	R514-K516 PolarHBondContact O-N 3.43Å; K516-C522 PolarHBondContact N-O 2.84Å; K516-D524 IonicContact NZ-OD1 3.74Å
517	G	80.1	Confident	88.1	Confident	66 Å²	66	65 Å²	65	68%	0.68	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-141.3	-179.5	0	0	0	0	0	112.4
518	F	81.3	Confident	88.3	Confident	210 Å²	210	64 Å²	64	92%	0.921	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-24.9	-172.7	-65	-78.4	0	0	0	114.4
519	H	82.9	Confident	88.4	Confident	71 Å²	71	67.5 Å²	67.5	33%	0.329	35%	0.351	S	S	.	.			trans	-90	124.3	-175.7	-61.3	-68.9	0	0	0	111.2	W213 C241 V242 C521 C522	W213-H519 AromaticContact CH2-CD2 3.74Å; W213-H519 HydrophobicContact CZ3-CB 3.99Å; W213-H519 AromaticContact CZ3-CD2 3.87Å; W213-H519 AromaticContact CZ3-CG 3.82Å; C241-H519 HydrophobicContact CB-CB 4.26Å; V242-H519 PolarHBondContact O-CE1 3.18Å; H519-C521 PolarHBondContact O-N 2.82Å; H519-C522 HydrophobicContact CB-CB 4.45Å; H519-C522 PolarHBondContact O-N 3.22Å; H519-C522 VanDerWaalsContact O-N 3.13Å
520	S	83.8	Confident	88.4	Confident	76 Å²	76	65.4 Å²	65.4	53%	0.531	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.4	179.3	52.9	0	0	0	0	113.9	C522	S520-C522 VanDerWaalsContact C-N 3.3Å; S520-C522 PolarHBondContact O-N 2.83Å
521	C	87.4	Confident	88.4	Confident	12 Å²	12	65.6 Å²	65.6	8%	0.081	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.9	179.7	-43.6	0	0	0	0	113.4	T212 C241 H519 Y523	T212-C521 PolarHBondContact O-SG 2.74Å; T212-C521 VanDerWaalsContact O-SG 3.37Å; C241-C521 HydrophobicContact CB-CB 3.71Å; C241-C521 WeakPolarHBondContact CB-SG 3.33Å; C241-C521 PolarHBondContact N-SG 3.13Å; C241-C521 VanDerWaalsContact N-SG 3.38Å; C241-C521 WeakPolarHBondContact SG-CB 3.34Å; C241-C521 PolarHBondContact SG-N 3.49Å; C241-C521 CovalentContact SG-SG 2.04Å; C241-C521 PolarHBondContact SG-SG 3.28Å; H519-C521 PolarHBondContact O-N 2.82Å; C521-Y523 WeakPolarHBondContact O-CD1 3.49Å; C521-Y523 WeakPolarHBondContact O-CE1 3.43Å
522	C	89.6	Confident	88.4	Confident	13 Å²	13	65.7 Å²	65.7	9%	0.088	35%	0.352	C	S	.	.			trans	-99.3	115.7	176.6	-60.7	0	0	0	0	108.7	W213 C503 V515 K516 H519 S520	W213-C522 VanDerWaalsContact CH2-SG 3.58Å; W213-C522 VanDerWaalsContact CZ3-SG 3.5Å; C503-C522 HydrophobicContact CB-CB 3.98Å; C503-C522 WeakPolarHBondContact CB-SG 3.34Å; C503-C522 VanDerWaalsContact SG-CA 3.57Å; C503-C522 WeakPolarHBondContact SG-CB 3.33Å; C503-C522 CovalentContact SG-SG 2.03Å; C503-C522 PolarHBondContact SG-SG 2.89Å; V515-C522 CarbonylContact C-O 3.54Å; V515-C522 WeakPolarHBondContact CA-O 3.38Å; K516-C522 PolarHBondContact N-O 2.84Å; H519-C522 HydrophobicContact CB-CB 4.45Å; H519-C522 PolarHBondContact O-N 3.22Å; H519-C522 VanDerWaalsContact O-N 3.13Å; S520-C522 VanDerWaalsContact C-N 3.3Å; S520-C522 PolarHBondContact O-N 2.83Å
523	Y	89.8	Confident	88.5	Confident	30 Å²	30	66.8 Å²	66.8	12%	0.118	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.4	-179.2	51.2	-99.2	0	0	0	112	S504 A505 R513 R514 C521	S504-Y523 WeakPolarHBondContact CB-O 3.45Å; S504-Y523 PolarHBondContact OG-N 2.78Å; S504-Y523 PolarHBondContact OG-O 3.05Å; A505-Y523 VanDerWaalsContact O-CE2 3.26Å; A505-Y523 WeakPolarHBondContact O-CE2 3.08Å; A505-Y523 PolarHBondContact O-OH 2.76Å; R513-Y523 HydrophobicContact CB-CD1 4.35Å; R513-Y523 HydrophobicContact CB-CD2 3.87Å; R513-Y523 HydrophobicContact CB-CE2 4.42Å; R513-Y523 HydrophobicContact CB-CG 3.85Å; R513-Y523 HydrophobicContact CG-CD1 4.35Å; R513-Y523 HydrophobicContact CG-CD2 3.68Å; R513-Y523 HydrophobicContact CG-CE1 4.37Å; R513-Y523 HydrophobicContact CG-CE2 3.73Å; R513-Y523 HydrophobicContact CG-CG 4.02Å; R514-Y523 CarbonylContact O-C 3.59Å; R514-Y523 WeakPolarHBondContact O-CA 3.34Å; R514-Y523 VanDerWaalsContact O-CB 3.28Å; R514-Y523 WeakPolarHBondContact O-CB 3.22Å; C521-Y523 WeakPolarHBondContact O-CD1 3.49Å; C521-Y523 WeakPolarHBondContact O-CE1 3.43Å
524	D	90.1	Very high	88.7	Confident	82 Å²	82	64.7 Å²	64.7	44%	0.439	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.4	167.3	-63.4	-39	0	0	0	108.8	R514 K516	R514-D524 PolarHBondContact N-O 3.34Å; R514-D524 PolarHBondContact O-N 2.85Å; K516-D524 IonicContact NZ-OD1 3.74Å
525	C	91.3	Very high	88.8	Confident	48 Å²	48	62.9 Å²	62.9	32%	0.324	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.7	175.7	-61.5	0	0	0	0	109.7	C507 Q511	C507-C525 WeakPolarHBondContact CA-SG 3.48Å; C507-C525 HydrophobicContact CB-CB 3.72Å; C507-C525 WeakPolarHBondContact CB-SG 3.37Å; C507-C525 VanDerWaalsContact SG-CA 3.51Å; C507-C525 WeakPolarHBondContact SG-CB 3.47Å; C507-C525 CovalentContact SG-SG 2.04Å; C507-C525 PolarHBondContact SG-SG 2.84Å; Q511-C525 HydrophobicContact CB-CB 4.38Å
526	I	91.4	Very high	88.8	Confident	66 Å²	66	63.7 Å²	63.7	34%	0.338	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.9	-176.3	-58.7	-173.6	0	0	0	109.6	Q511 V512 R514	Q511-I526 CarbonylContact C-O 3.51Å; Q511-I526 WeakPolarHBondContact CA-O 3.41Å; Q511-I526 WeakPolarHBondContact CB-O 3Å; V512-I526 PolarHBondContact N-O 3.45Å; V512-I526 PolarHBondContact O-N 3.1Å; R514-I526 HydrophobicContact CB-CD1 3.57Å; R514-I526 HydrophobicContact CB-CG1 4.14Å; R514-I526 HydrophobicContact CG-CD1 4.05Å
527	D	93.7	Very high	88.8	Confident	74 Å²	74	63.6 Å²	63.6	40%	0.396	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	134.1	175.4	-63.5	-37.1	0	0	0	111.2	Q511 L529	Q511-D527 VanDerWaalsContact CG-OD1 3.23Å; Q511-D527 WeakPolarHBondContact CG-OD1 3.02Å; Q511-D527 PolarHBondContact NE2-OD1 3.37Å; D527-L529 PolarHBondContact O-N 2.61Å
528	C	93.6	Very high	88.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-68.1	123	166	-66	0	0	0	0	109.9	G510 C542 D553 R554	G510-C528 PolarHBondContact O-N 2.8Å; C528-C542 WeakPolarHBondContact CA-SG 3.36Å; C528-C542 HydrophobicContact CB-CB 3.77Å; C528-C542 WeakPolarHBondContact CB-SG 3.5Å; C528-C542 WeakPolarHBondContact SG-CB 3.01Å; C528-C542 CovalentContact SG-SG 2.04Å; C528-C542 PolarHBondContact SG-SG 3.14Å; C528-D553 CarbonylContact O-C 3.56Å; C528-D553 WeakPolarHBondContact O-CA 3.22Å; C528-R554 PolarHBondContact O-N 2.72Å
529	L	92.9	Very high	88.7	Confident	118 Å²	118	57.4 Å²	57.4	62%	0.618	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-75.2	160.2	-179.1	-61	176.8	0	0	0	111	D527 G531 T532	D527-L529 PolarHBondContact O-N 2.61Å; L529-G531 PolarHBondContact O-N 3.15Å; L529-T532 PolarHBondContact N-OG1 2.96Å; L529-T532 WeakPolarHBondContact O-CA 3.22Å; L529-T532 WeakPolarHBondContact O-CB 3.23Å; L529-T532 PolarHBondContact O-N 3.46Å; L529-T532 PolarHBondContact O-OG1 3.46Å
530	A	90.6	Very high	88.8	Confident	46 Å²	46	59.4 Å²	59.4	38%	0.38	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	133.7	174	0	0	0	0	0	113	T532 W550 S551 D553	A530-T532 VanDerWaalsContact C-N 3.29Å; A530-W550 HydrophobicContact CB-CZ2 4.35Å; A530-S551 WeakPolarHBondContact CA-O 3.43Å; A530-D553 PolarHBondContact N-OD1 3.15Å
531	G	89.1	Confident	89	Confident	5 Å²	5	63 Å²	63	5%	0.052	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	-1.6	-173	0	0	0	0	0	114.6	L529 C545 S551	L529-G531 PolarHBondContact O-N 3.15Å; G531-C545 PolarHBondContact O-N 3.36Å; G531-S551 WeakPolarHBondContact CA-OG 3.32Å; G531-S551 PolarHBondContact N-O 2.94Å; G531-S551 VanDerWaalsContact N-O 3.11Å; G531-S551 PolarHBondContact N-OG 2.75Å; G531-S551 VanDerWaalsContact N-OG 3.1Å
532	T	92.9	Very high	89.3	Confident	35 Å²	35	64.2 Å²	64.2	22%	0.215	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.1	171.2	70.3	0	0	0	0	111	L529 A530 A543 S551	L529-T532 PolarHBondContact N-OG1 2.96Å; L529-T532 WeakPolarHBondContact O-CA 3.22Å; L529-T532 WeakPolarHBondContact O-CB 3.23Å; L529-T532 PolarHBondContact O-N 3.46Å; L529-T532 PolarHBondContact O-OG1 3.46Å; A530-T532 VanDerWaalsContact C-N 3.29Å; T532-A543 CarbonylContact C-O 3.48Å; T532-A543 WeakPolarHBondContact CA-O 3.36Å; T532-A543 VanDerWaalsContact CB-O 3.28Å; T532-A543 WeakPolarHBondContact CB-O 3.34Å; T532-S551 PolarHBondContact N-OG 3.19Å; T532-S551 VanDerWaalsContact N-OG 3.14Å; T532-S551 PolarHBondContact O-OG 3.35Å
533	F	93.2	Very high	89.4	Confident	32 Å²	32	64.8 Å²	64.8	14%	0.14	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.9	-179.4	75.8	-71.2	0	0	0	111.6	E535 A543 S555 T556 C558	F533-E535 HydrophobicContact CE2-CB 3.96Å; F533-E535 HydrophobicContact CE2-CG 4.34Å; F533-E535 HydrophobicContact CZ-CB 4.27Å; F533-A543 HydrophobicContact CD1-CB 4.06Å; F533-A543 WeakPolarHBondContact CD1-O 3.39Å; F533-A543 HydrophobicContact CE1-CB 3.65Å; F533-A543 HydrophobicContact CZ-CB 4.07Å; F533-A543 PolarHBondContact N-O 3.38Å; F533-A543 PolarHBondContact O-N 3.15Å; F533-S555 VanDerWaalsContact CA-O 3.3Å; F533-S555 WeakPolarHBondContact CA-O 3.35Å; F533-S555 WeakPolarHBondContact CB-O 3.42Å; F533-T556 WeakPolarHBondContact CD2-O 3.5Å; F533-C558 WeakPolarHBondContact CD1-SG 3.28Å
534	Q	93.8	Very high	89.6	Confident	9 Å²	9	72 Å²	72	4%	0.042	38%	0.375	C	S	.	.			trans	-84.8	117.2	170.2	179.1	-179.5	34.1	0	0	109.5	Q511 V512 N536 S555	Q511-Q534 PolarHBondContact O-NE2 3.43Å; V512-Q534 HydrophobicContact CG1-CG 4.44Å; Q534-N536 WeakPolarHBondContact CG-O 3.22Å; Q534-N536 PolarHBondContact NE2-O 2.99Å; Q534-N536 VanDerWaalsContact NE2-O 3.17Å; Q534-S555 PolarHBondContact N-O 3.02Å
535	E	89.6	Confident	89.6	Confident	129 Å²	129	68.8 Å²	68.8	60%	0.603	36%	0.359	S	S	*	.			trans	-83.2	-48.3	177.2	-173.5	173.1	-157.8	0	0	111	F533 A543	F533-E535 HydrophobicContact CE2-CB 3.96Å; F533-E535 HydrophobicContact CE2-CG 4.34Å; F533-E535 HydrophobicContact CZ-CB 4.27Å; E535-A543 HydrophobicContact CB-CB 4.4Å
536	N	87.8	Confident	89.6	Confident	92 Å²	92	69.7 Å²	69.7	49%	0.492	37%	0.365	S	S	.	.	S	Bend	trans	-125.9	157.1	176.5	-54.6	-72.6	0	0	0	112.5	Q534 D538 D539	Q534-N536 WeakPolarHBondContact CG-O 3.22Å; Q534-N536 PolarHBondContact NE2-O 2.99Å; Q534-N536 VanDerWaalsContact NE2-O 3.17Å; N536-D538 VanDerWaalsContact C-N 3.27Å; N536-D538 PolarHBondContact O-N 2.79Å; N536-D539 PolarHBondContact N-OD2 3.38Å; N536-D539 PolarHBondContact O-N 3.46Å
537	K	80.1	Confident	89.3	Confident	122 Å²	122	75.4 Å²	75.4	53%	0.53	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.8	-178.8	-69.2	-162.9	173.9	-155.4	0	114.9	D509	D509-K537 WeakPolarHBondContact OD1-CE 3.35Å; D509-K537 IonicContact OD1-NZ 2.66Å; D509-K537 PolarHBondContact OD1-NZ 3.48Å; D509-K537 VanDerWaalsContact OD1-NZ 3.14Å
538	D	76.9	Confident	88.8	Confident	108 Å²	108	78.3 Å²	78.3	58%	0.578	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	8.1	-177.7	-64.4	-52.2	0	0	0	113.2	R513 N536	R513-D538 IonicContact CZ-OD1 2.67Å; R513-D538 IonicContact NH1-OD1 3.36Å; R513-D538 PolarHBondContact NH1-OD1 2.88Å; R513-D538 IonicContact NH2-OD1 2.86Å; R513-D538 PolarHBondContact NH2-OD1 3.05Å; N536-D538 VanDerWaalsContact C-N 3.27Å; N536-D538 PolarHBondContact O-N 2.79Å
539	D	81.6	Confident	88.6	Confident	38 Å²	38	81.4 Å²	81.4	20%	0.203	41%	0.41	C	S	.	.			trans	-67.1	142.5	-179.5	-71.7	-19.1	0	0	0	112	V512 R513 N536	V512-D539 WeakPolarHBondContact CB-O 3.43Å; V512-D539 HydrophobicContact CG1-CB 4.12Å; R513-D539 PolarHBondContact N-O 3.17Å; R513-D539 VanDerWaalsContact N-O 3.08Å; N536-D539 PolarHBondContact N-OD2 3.38Å; N536-D539 PolarHBondContact O-N 3.46Å
540	I	85.4	Confident	88.6	Confident	113 Å²	113	78.5 Å²	78.5	58%	0.579	39%	0.391	S	S	*	.	S	Bend	trans	-95.3	-12.7	176.6	56.3	167.3	0	0	0	113.1	R513	R513-I540 VanDerWaalsContact O-CA 3.26Å; R513-I540 WeakPolarHBondContact O-CA 3.4Å
541	Q	88.9	Confident	88.7	Confident	151 Å²	151	76.4 Å²	76.4	71%	0.706	37%	0.373	S	S	*	.	S	Bend	trans	-144.1	144.8	-179.4	-67.1	-173.7	13.5	0	0	109.9
542	C	92.5	Very high	88.7	Confident	38 Å²	38	79.9 Å²	79.9	26%	0.257	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-74.4	137.6	176.7	-57.2	0	0	0	0	110.7	V512 C528	V512-C542 VanDerWaalsContact CG2-SG 3.53Å; C528-C542 WeakPolarHBondContact CA-SG 3.36Å; C528-C542 HydrophobicContact CB-CB 3.77Å; C528-C542 WeakPolarHBondContact CB-SG 3.5Å; C528-C542 WeakPolarHBondContact SG-CB 3.01Å; C528-C542 CovalentContact SG-SG 2.04Å; C528-C542 PolarHBondContact SG-SG 3.14Å
543	A	92.9	Very high	88.6	Confident	25 Å²	25	83.1 Å²	83.1	21%	0.207	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.3	174.4	0	0	0	0	0	110.1	T532 F533 E535	T532-A543 CarbonylContact C-O 3.48Å; T532-A543 WeakPolarHBondContact CA-O 3.36Å; T532-A543 VanDerWaalsContact CB-O 3.28Å; T532-A543 WeakPolarHBondContact CB-O 3.34Å; F533-A543 HydrophobicContact CD1-CB 4.06Å; F533-A543 WeakPolarHBondContact CD1-O 3.39Å; F533-A543 HydrophobicContact CE1-CB 3.65Å; F533-A543 HydrophobicContact CZ-CB 4.07Å; F533-A543 PolarHBondContact N-O 3.38Å; F533-A543 PolarHBondContact O-N 3.15Å; E535-A543 HydrophobicContact CB-CB 4.4Å
544	K	92.6	Very high	88.5	Confident	181 Å²	181	88.4 Å²	88.4	79%	0.787	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.1	174.1	-169.5	176.8	179.1	-177.9	0	109.7
545	C	91.4	Very high	88.4	Confident	15 Å²	15	89.1 Å²	89.1	10%	0.101	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-59.7	144.3	176.1	-75.5	0	0	0	0	112.1	G531 S551 C558	G531-C545 PolarHBondContact O-N 3.36Å; C545-S551 VanDerWaalsContact SG-CB 3.57Å; C545-S551 PolarHBondContact SG-OG 3.01Å; C545-S551 VanDerWaalsContact SG-OG 3.35Å; C545-C558 WeakPolarHBondContact CA-SG 3.41Å; C545-C558 HydrophobicContact CB-CB 3.81Å; C545-C558 WeakPolarHBondContact CB-SG 3.42Å; C545-C558 WeakPolarHBondContact SG-CB 3.3Å; C545-C558 CovalentContact SG-SG 2.04Å; C545-C558 PolarHBondContact SG-SG 3.07Å
546	P	90.9	Very high	88.5	Confident	67 Å²	67	86.4 Å²	86.4	44%	0.435	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-57.8	161	171.3	-23.4	33.7	0	0	0	112.7	R548 Q549	P546-R548 PolarHBondContact O-N 2.84Å; P546-Q549 PolarHBondContact O-N 3.08Å
547	E	84.6	Confident	88.7	Confident	185 Å²	185	88.2 Å²	88.2	86%	0.864	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	137.7	176.2	-66.2	-170.1	172.1	0	0	111.5	Q549	E547-Q549 PolarHBondContact O-N 3.41Å
548	R	84	Confident	89.3	Confident	135 Å²	135	83.3 Å²	83.3	51%	0.509	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	11.9	-179.5	-41	-172.8	83.6	171.2	9.3	116.1	P546 P561 K713 N714	P546-R548 PolarHBondContact O-N 2.84Å; R548-P561 WeakPolarHBondContact O-CD 3.5Å; R548-K713 PolarHBondContact NH2-O 2.97Å; R548-N714 PolarHBondContact NH2-OD1 3.39Å
549	Q	89.7	Confident	89.9	Confident	66 Å²	66	80.1 Å²	80.1	31%	0.308	40%	0.395	S	S	.	.			trans	-118.2	158.7	171.9	-60.3	-177.6	-1.4	0	0	110.9	P546 E547 C558	P546-Q549 PolarHBondContact O-N 3.08Å; E547-Q549 PolarHBondContact O-N 3.41Å; Q549-C558 HydrophobicContact CB-CB 3.84Å; Q549-C558 PolarHBondContact OE1-O 3.06Å
550	W	91.7	Very high	90.3	Very high	57 Å²	57	82.4 Å²	82.4	22%	0.216	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-141.9	159.5	177	-159.2	-105.6	0	0	0	111	A530 T559 I718 N719	A530-W550 HydrophobicContact CB-CZ2 4.35Å; W550-T559 PolarHBondContact N-O 3.27Å; W550-T559 PolarHBondContact O-N 3.2Å; W550-T559 VanDerWaalsContact O-O 3.13Å; W550-I718 HydrophobicContact CB-CG2 4.3Å; W550-I718 WeakPolarHBondContact CZ3-O 3.16Å; W550-N719 HydrophobicContact CH2-CB 3.95Å; W550-N719 HydrophobicContact CZ2-CB 4.25Å; W550-N719 HydrophobicContact CZ3-CB 4.18Å
551	S	92.4	Very high	90.3	Very high	2 Å²	2	77.9 Å²	77.9	1%	0.014	39%	0.39	C	S	.	.			trans	-134.4	154.9	178	62.9	0	0	0	0	110.2	A530 G531 T532 C545	A530-S551 WeakPolarHBondContact CA-O 3.43Å; G531-S551 WeakPolarHBondContact CA-OG 3.32Å; G531-S551 PolarHBondContact N-O 2.94Å; G531-S551 VanDerWaalsContact N-O 3.11Å; G531-S551 PolarHBondContact N-OG 2.75Å; G531-S551 VanDerWaalsContact N-OG 3.1Å; T532-S551 PolarHBondContact N-OG 3.19Å; T532-S551 VanDerWaalsContact N-OG 3.14Å; T532-S551 PolarHBondContact O-OG 3.35Å; C545-S551 VanDerWaalsContact SG-CB 3.57Å; C545-S551 PolarHBondContact SG-OG 3.01Å; C545-S551 VanDerWaalsContact SG-OG 3.35Å
552	N	90.5	Very high	90.1	Very high	77 Å²	77	75.2 Å²	75.2	41%	0.412	38%	0.379	S	S	.	.			trans	-87.2	174.5	170.2	-66.3	-31.7	0	0	0	110.3	R554 S555 M721	N552-R554 PolarHBondContact O-N 3.33Å; N552-S555 VanDerWaalsContact C-OG 3.32Å; N552-S555 PolarHBondContact N-OG 3.12Å; N552-S555 WeakPolarHBondContact O-CB 3.38Å; N552-S555 PolarHBondContact O-N 2.78Å; N552-S555 PolarHBondContact O-OG 2.7Å; N552-M721 PolarHBondContact ND2-SD 3.08Å
553	D	90.8	Very high	89.7	Confident	103 Å²	103	76.5 Å²	76.5	55%	0.551	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	140.2	169.1	-59.7	-27.8	0	0	0	110.5	C528 A530 S555	C528-D553 CarbonylContact O-C 3.56Å; C528-D553 WeakPolarHBondContact O-CA 3.22Å; A530-D553 PolarHBondContact N-OD1 3.15Å; D553-S555 VanDerWaalsContact C-N 3.32Å; D553-S555 PolarHBondContact O-N 2.93Å
554	R	91.1	Very high	89.1	Confident	144 Å²	144	79 Å²	79	54%	0.543	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	36.4	178.9	-142.4	-174.8	75.4	177.2	4.7	114.3	Q511 C528 N552	Q511-R554 HydrophobicContact CG-CG 4.18Å; C528-R554 PolarHBondContact O-N 2.72Å; N552-R554 PolarHBondContact O-N 3.33Å
555	S	90.1	Very high	88.7	Confident	23 Å²	23	73.6 Å²	73.6	16%	0.161	37%	0.367	C	S	.	.			trans	-88.5	147.4	176.8	-58.7	0	0	0	0	112.7	F533 Q534 N552 D553	F533-S555 VanDerWaalsContact CA-O 3.3Å; F533-S555 WeakPolarHBondContact CA-O 3.35Å; F533-S555 WeakPolarHBondContact CB-O 3.42Å; Q534-S555 PolarHBondContact N-O 3.02Å; N552-S555 VanDerWaalsContact C-OG 3.32Å; N552-S555 PolarHBondContact N-OG 3.12Å; N552-S555 WeakPolarHBondContact O-CB 3.38Å; N552-S555 PolarHBondContact O-N 2.78Å; N552-S555 PolarHBondContact O-OG 2.7Å; D553-S555 VanDerWaalsContact C-N 3.32Å; D553-S555 PolarHBondContact O-N 2.93Å
556	T	92.3	Very high	88.4	Confident	73 Å²	73	73.2 Å²	73.2	45%	0.448	36%	0.364	S	S	.	.	S	Bend	trans	-104.7	-0.1	170.7	55.9	0	0	0	0	112.4	D509 F533	D509-T556 HydrophobicContact CB-CG2 4.07Å; F533-T556 WeakPolarHBondContact CD2-O 3.5Å
557	E	91.9	Very high	88	Confident	130 Å²	130	70.5 Å²	70.5	61%	0.607	35%	0.348	S	S	*	.	S	Bend	trans	-149.7	159.2	-179.6	63.2	179.1	-173	0	0	110.7
558	C	92.1	Very high	88	Confident	18 Å²	18	69 Å²	69	12%	0.122	33%	0.334	C	S	.	.			trans	-110.6	138.4	173.6	-59.7	0	0	0	0	109.3	F533 C545 Q549	F533-C558 WeakPolarHBondContact CD1-SG 3.28Å; C545-C558 WeakPolarHBondContact CA-SG 3.41Å; C545-C558 HydrophobicContact CB-CB 3.81Å; C545-C558 WeakPolarHBondContact CB-SG 3.42Å; C545-C558 WeakPolarHBondContact SG-CB 3.3Å; C545-C558 CovalentContact SG-SG 2.04Å; C545-C558 PolarHBondContact SG-SG 3.07Å; Q549-C558 HydrophobicContact CB-CB 3.84Å; Q549-C558 PolarHBondContact OE1-O 3.06Å
559	T	90.9	Very high	87.9	Confident	42 Å²	42	69.8 Å²	69.8	26%	0.258	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-125.1	149	-178.1	56.1	0	0	0	0	110.8	W550	W550-T559 PolarHBondContact N-O 3.27Å; W550-T559 PolarHBondContact O-N 3.2Å; W550-T559 VanDerWaalsContact O-O 3.13Å
560	P	88.6	Confident	87.7	Confident	86 Å²	86	68 Å²	68	56%	0.558	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-61.2	144	170.6	-21	33	0	0	0	111
561	P	86.4	Confident	87.5	Confident	18 Å²	18	70 Å²	70	12%	0.117	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-68.2	153.3	179	31.1	-37.4	0	0	0	111.9	R548 F563 I718 F720 M721	R548-P561 WeakPolarHBondContact O-CD 3.5Å; P561-F563 HydrophobicContact CG-CZ 4.49Å; P561-I718 HydrophobicContact CB-CG2 4.35Å; P561-I718 HydrophobicContact CG-CD1 3.52Å; P561-I718 HydrophobicContact CG-CG2 3.79Å; P561-F720 HydrophobicContact CB-CD2 4.05Å; P561-F720 HydrophobicContact CB-CE2 3.93Å; P561-F720 WeakPolarHBondContact CB-O 3.48Å; P561-F720 HydrophobicContact CG-CE2 4.33Å; P561-M721 WeakPolarHBondContact CA-O 3.45Å
562	I	84.4	Confident	87.1	Confident	95 Å²	95	71.8 Å²	71.8	49%	0.487	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.6	177.7	-56.5	171	0	0	0	108.7	M721 K722 T723	I562-M721 PolarHBondContact N-O 2.94Å; I562-K722 HydrophobicContact CB-CG 4.4Å; I562-K722 WeakPolarHBondContact O-CA 3.42Å; I562-T723 PolarHBondContact O-N 3.39Å; I562-T723 VanDerWaalsContact O-N 3.17Å
563	F	84.6	Confident	86.9	Confident	64 Å²	64	68.1 Å²	68.1	28%	0.281	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.3	176	-67.7	-73.4	0	0	0	110.5	P561 M716 T723 L725	P561-F563 HydrophobicContact CG-CZ 4.49Å; F563-M716 HydrophobicContact CE1-SD 4.15Å; F563-T723 CarbonylContact C-O 3.35Å; F563-T723 VanDerWaalsContact CA-O 3.31Å; F563-T723 WeakPolarHBondContact CA-O 3.25Å; F563-T723 HydrophobicContact CD1-CG2 3.55Å; F563-T723 HydrophobicContact CE1-CG2 3.62Å; F563-L725 HydrophobicContact CB-CB 4.13Å; F563-L725 HydrophobicContact CB-CD2 4.48Å; F563-L725 HydrophobicContact CD1-CB 4.28Å; F563-L725 HydrophobicContact CD1-CD1 4.05Å; F563-L725 HydrophobicContact CE1-CD1 4.4Å
564	E	81.1	Confident	86.8	Confident	77 Å²	77	67.7 Å²	67.7	36%	0.36	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	134.9	171.9	-65.6	-173.8	169.9	0	0	110	T723 F724 L725	E564-T723 PolarHBondContact N-O 3.22Å; E564-F724 CarbonylContact O-C 3.59Å; E564-F724 VanDerWaalsContact O-CA 3.31Å; E564-F724 WeakPolarHBondContact O-CA 3.39Å; E564-F724 WeakPolarHBondContact O-CD2 3.02Å; E564-L725 PolarHBondContact O-N 3.07Å
565	I	84.1	Confident	86.7	Confident	68 Å²	68	65.3 Å²	65.3	35%	0.349	34%	0.339	S	S	.	.			trans	-123.6	161.9	-179.2	59	170.6	0	0	0	110.3	G567 E631 L725	I565-G567 PolarHBondContact O-N 2.94Å; I565-E631 HydrophobicContact CD1-CB 4.01Å; I565-E631 HydrophobicContact CG2-CG 4.5Å; I565-L725 HydrophobicContact CG2-CB 4.34Å; I565-L725 HydrophobicContact CG2-CD2 4.46Å
566	L	83.4	Confident	86.7	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.042	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-78.9	75.6	170.9	-166.9	67.9	0	0	0	109.3	D572 I576 L629 G630 F724	L566-D572 HydrophobicContact CD1-CB 3.95Å; L566-I576 HydrophobicContact CD2-CD1 4.2Å; L566-L629 HydrophobicContact CD2-CD2 3.64Å; L566-L629 HydrophobicContact CG-CD2 4.09Å; L566-G630 PolarHBondContact O-N 3.45Å; L566-F724 HydrophobicContact CB-CE2 4.45Å
567	G	84.1	Confident	86.7	Confident	10 Å²	10	62.6 Å²	62.6	10%	0.103	32%	0.32	C	S	.	.			trans	-59	146.9	-178.3	0	0	0	0	0	112.5	I565 D569 S570 A573	I565-G567 PolarHBondContact O-N 2.94Å; G567-D569 WeakPolarHBondContact CA-OD1 3.22Å; G567-D569 PolarHBondContact O-N 3.12Å; G567-D569 VanDerWaalsContact O-N 3.16Å; G567-S570 VanDerWaalsContact O-CB 3.31Å; G567-S570 WeakPolarHBondContact O-CB 3.04Å; G567-S570 PolarHBondContact O-N 2.6Å; G567-S570 PolarHBondContact O-OG 3.32Å; G567-A573 WeakPolarHBondContact O-CB 3.17Å
568	W	84.8	Confident	86.7	Confident	152 Å²	152	61.4 Å²	61.4	58%	0.576	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24	177.3	-68.9	88.6	0	0	0	113.1	I577 L629	W568-I577 HydrophobicContact CE3-CD1 4.27Å; W568-L629 HydrophobicContact CD2-CB 4.17Å; W568-L629 HydrophobicContact CE3-CB 4.28Å; W568-L629 HydrophobicContact CE3-CD1 4.04Å; W568-L629 HydrophobicContact CH2-CB 4.09Å; W568-L629 HydrophobicContact CH2-CD1 4.34Å; W568-L629 HydrophobicContact CZ2-CB 3.97Å; W568-L629 HydrophobicContact CZ3-CB 4.24Å; W568-L629 HydrophobicContact CZ3-CD1 3.84Å
569	D	81.7	Confident	86.7	Confident	153 Å²	153	62.1 Å²	62.1	82%	0.818	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.5	178.1	62.5	-34.9	0	0	0	113.8	G567	G567-D569 WeakPolarHBondContact CA-OD1 3.22Å; G567-D569 PolarHBondContact O-N 3.12Å; G567-D569 VanDerWaalsContact O-N 3.16Å
570	S	85.8	Confident	86.8	Confident	28 Å²	28	60.1 Å²	60.1	20%	0.196	31%	0.312	C	S	.	.	S	Bend	trans	-74.8	146.5	179.8	69.9	0	0	0	0	112.7	G567 D572 A573 L574	G567-S570 VanDerWaalsContact O-CB 3.31Å; G567-S570 WeakPolarHBondContact O-CB 3.04Å; G567-S570 PolarHBondContact O-N 2.6Å; G567-S570 PolarHBondContact O-OG 3.32Å; S570-D572 PolarHBondContact O-N 2.99Å; S570-A573 PolarHBondContact O-N 2.99Å; S570-A573 VanDerWaalsContact O-N 3.09Å; S570-A573 VanDerWaalsContact OG-CB 3.24Å; S570-A573 WeakPolarHBondContact OG-CB 3.39Å; S570-A573 PolarHBondContact OG-N 3.31Å; S570-L574 PolarHBondContact O-N 3.27Å
571	D	86.3	Confident	87.1	Confident	98 Å²	98	59.9 Å²	59.9	52%	0.524	31%	0.306	S	S	.	.	H	α-helix	trans	-57.1	-36.2	177	-178.5	42.4	0	0	0	112.1	L574 K575	D571-L574 PolarHBondContact O-N 2.81Å; D571-K575 WeakPolarHBondContact O-CG 3.37Å; D571-K575 PolarHBondContact O-N 3.17Å; D571-K575 WeakPolarHBondContact OD1-CE 3.23Å; D571-K575 IonicContact OD1-NZ 3.62Å; D571-K575 VanDerWaalsContact OD2-CE 3.27Å; D571-K575 WeakPolarHBondContact OD2-CE 3.27Å; D571-K575 IonicContact OD2-NZ 2.84Å; D571-K575 PolarHBondContact OD2-NZ 3.29Å
572	D	83.4	Confident	87.5	Confident	41 Å²	41	61.9 Å²	61.9	22%	0.219	32%	0.323	C	S	.	.	H	α-helix	trans	-67.7	-41.2	176.6	-63.7	-40.8	0	0	0	112.1	L566 S570 K575 I576 K798	L566-D572 HydrophobicContact CD1-CB 3.95Å; S570-D572 PolarHBondContact O-N 2.99Å; D572-K575 PolarHBondContact O-N 3.4Å; D572-I576 WeakPolarHBondContact O-CG1 3.44Å; D572-I576 PolarHBondContact O-N 3.31Å; D572-I576 VanDerWaalsContact O-N 3.16Å; D572-K798 WeakPolarHBondContact OD2-CE 3.28Å; D572-K798 IonicContact OD2-NZ 2.76Å; D572-K798 PolarHBondContact OD2-NZ 3.06Å
573	A	87.4	Confident	87.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-41.1	175.9	0	0	0	0	0	111.8	G567 S570 K575 I576 I577 L629	G567-A573 WeakPolarHBondContact O-CB 3.17Å; S570-A573 PolarHBondContact O-N 2.99Å; S570-A573 VanDerWaalsContact O-N 3.09Å; S570-A573 VanDerWaalsContact OG-CB 3.24Å; S570-A573 WeakPolarHBondContact OG-CB 3.39Å; S570-A573 PolarHBondContact OG-N 3.31Å; A573-K575 VanDerWaalsContact C-N 3.34Å; A573-K575 PolarHBondContact O-N 2.92Å; A573-I576 PolarHBondContact O-N 2.92Å; A573-I577 VanDerWaalsContact O-CG1 3.23Å; A573-I577 WeakPolarHBondContact O-CG1 3.43Å; A573-I577 PolarHBondContact O-N 2.89Å; A573-L629 HydrophobicContact CB-CD1 4.49Å; A573-L629 HydrophobicContact CB-CD2 3.7Å
574	L	89.4	Confident	88.4	Confident	94 Å²	94	55.8 Å²	55.8	49%	0.492	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-45.3	177.1	-176.7	66.4	0	0	0	111.7	S570 D571 I576 I577 L578	S570-L574 PolarHBondContact O-N 3.27Å; D571-L574 PolarHBondContact O-N 2.81Å; L574-I576 PolarHBondContact O-N 2.95Å; L574-I577 PolarHBondContact O-N 3.37Å; L574-L578 HydrophobicContact CD1-CD1 4.49Å; L574-L578 HydrophobicContact CG-CD1 4.23Å; L574-L578 WeakPolarHBondContact O-CG 3.14Å; L574-L578 PolarHBondContact O-N 2.85Å
575	K	88.6	Confident	89	Confident	94 Å²	94	57.4 Å²	57.4	41%	0.409	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-43.1	176.7	-69.2	169.1	-164.9	158.5	0	111.8	D571 D572 A573 A579	D571-K575 WeakPolarHBondContact O-CG 3.37Å; D571-K575 PolarHBondContact O-N 3.17Å; D571-K575 WeakPolarHBondContact OD1-CE 3.23Å; D571-K575 IonicContact OD1-NZ 3.62Å; D571-K575 VanDerWaalsContact OD2-CE 3.27Å; D571-K575 WeakPolarHBondContact OD2-CE 3.27Å; D571-K575 IonicContact OD2-NZ 2.84Å; D571-K575 PolarHBondContact OD2-NZ 3.29Å; D572-K575 PolarHBondContact O-N 3.4Å; A573-K575 VanDerWaalsContact C-N 3.34Å; A573-K575 PolarHBondContact O-N 2.92Å; K575-A579 WeakPolarHBondContact O-CB 3.22Å; K575-A579 PolarHBondContact O-N 2.85Å
576	I	89.9	Confident	89.4	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-48.2	177.1	-70.3	164.7	0	0	0	110.9	L566 D572 A573 L574 L578 A579 V580 L629 V805 Y806	L566-I576 HydrophobicContact CD2-CD1 4.2Å; D572-I576 WeakPolarHBondContact O-CG1 3.44Å; D572-I576 PolarHBondContact O-N 3.31Å; D572-I576 VanDerWaalsContact O-N 3.16Å; A573-I576 PolarHBondContact O-N 2.92Å; L574-I576 PolarHBondContact O-N 2.95Å; I576-L578 PolarHBondContact O-N 3.39Å; I576-A579 PolarHBondContact O-N 3.46Å; I576-V580 HydrophobicContact CG2-CG2 4.35Å; I576-V580 WeakPolarHBondContact O-CG2 3.36Å; I576-V580 PolarHBondContact O-N 3.32Å; I576-L629 HydrophobicContact CD1-CD2 4.42Å; I576-V805 HydrophobicContact CD1-CG1 4.14Å; I576-V805 HydrophobicContact CG1-CG1 4.07Å; I576-V805 HydrophobicContact CG2-CG1 3.71Å; I576-Y806 HydrophobicContact CG1-CE1 4.43Å
577	I	91.6	Very high	89.9	Confident	37 Å²	37	55.2 Å²	55.2	19%	0.19	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-49	-179.7	-67.2	162.9	0	0	0	110.5	W568 A573 L574 A579 V580 L581 F626 L629	W568-I577 HydrophobicContact CE3-CD1 4.27Å; A573-I577 VanDerWaalsContact O-CG1 3.23Å; A573-I577 WeakPolarHBondContact O-CG1 3.43Å; A573-I577 PolarHBondContact O-N 2.89Å; L574-I577 PolarHBondContact O-N 3.37Å; I577-A579 VanDerWaalsContact C-N 3.33Å; I577-A579 PolarHBondContact O-N 2.86Å; I577-V580 PolarHBondContact O-N 2.03Å; I577-L581 HydrophobicContact CG2-CD1 3.83Å; I577-L581 HydrophobicContact CG2-CG 4.36Å; I577-L581 WeakPolarHBondContact O-CB 3.2Å; I577-L581 VanDerWaalsContact O-CG 3.29Å; I577-L581 WeakPolarHBondContact O-CG 3.06Å; I577-L581 PolarHBondContact O-N 2.92Å; I577-F626 HydrophobicContact CB-CE1 4.44Å; I577-F626 HydrophobicContact CG1-CE1 4.02Å; I577-F626 HydrophobicContact CG2-CE1 4.37Å; I577-L629 HydrophobicContact CD1-CD1 3.93Å; I577-L629 HydrophobicContact CG1-CD1 3.61Å
578	L	92.3	Very high	90.3	Very high	105 Å²	105	58.1 Å²	58.1	55%	0.55	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-42.5	179.1	-71.9	172.9	0	0	0	112	L574 I576 L581 A582	L574-L578 HydrophobicContact CD1-CD1 4.49Å; L574-L578 HydrophobicContact CG-CD1 4.23Å; L574-L578 WeakPolarHBondContact O-CG 3.14Å; L574-L578 PolarHBondContact O-N 2.85Å; I576-L578 PolarHBondContact O-N 3.39Å; L578-L581 PolarHBondContact O-N 2.68Å; L578-A582 WeakPolarHBondContact O-CB 3.5Å; L578-A582 PolarHBondContact O-N 3.39Å
579	A	92.3	Very high	90.6	Very high	32 Å²	32	54 Å²	54	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-69.3	-38.5	-179.2	0	0	0	0	0	112.5	K575 I576 I577 L583 L809	K575-A579 WeakPolarHBondContact O-CB 3.22Å; K575-A579 PolarHBondContact O-N 2.85Å; I576-A579 PolarHBondContact O-N 3.46Å; I577-A579 VanDerWaalsContact C-N 3.33Å; I577-A579 PolarHBondContact O-N 2.86Å; A579-L583 PolarHBondContact O-N 2.71Å; A579-L583 VanDerWaalsContact O-N 3.14Å; A579-L809 HydrophobicContact CB-CD2 3.43Å; A579-L809 VanDerWaalsContact CB-CD2 3.43Å
580	V	93.6	Very high	91.1	Very high	1 Å²	1	47 Å²	47	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-46.6	173.5	171.2	0	0	0	0	111.1	I576 I577 A582 L583 L584 C622 L625 F626 L809	I576-V580 HydrophobicContact CG2-CG2 4.35Å; I576-V580 WeakPolarHBondContact O-CG2 3.36Å; I576-V580 PolarHBondContact O-N 3.32Å; I577-V580 PolarHBondContact O-N 2.03Å; V580-A582 PolarHBondContact O-N 3.48Å; V580-L583 PolarHBondContact O-N 2.79Å; V580-L584 HydrophobicContact CG1-CD1 3.9Å; V580-L584 HydrophobicContact CG1-CG 4.34Å; V580-L584 WeakPolarHBondContact O-CB 3.42Å; V580-L584 WeakPolarHBondContact O-CG 3.47Å; V580-L584 PolarHBondContact O-N 2.83Å; V580-C622 HydrophobicContact CG1-CB 4.36Å; V580-L625 HydrophobicContact CG2-CB 4.17Å; V580-L625 HydrophobicContact CG2-CD1 3.88Å; V580-F626 HydrophobicContact CB-CZ 4.2Å; V580-F626 HydrophobicContact CG1-CE1 4.38Å; V580-F626 HydrophobicContact CG1-CE2 3.81Å; V580-F626 HydrophobicContact CG1-CZ 3.65Å; V580-L809 HydrophobicContact CG2-CD1 4.06Å
581	L	93.8	Very high	91.3	Very high	81 Å²	81	46.4 Å²	46.4	42%	0.424	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-43.4	178.4	-71.9	174.1	0	0	0	111.8	I577 L578 L583 L584 I585	I577-L581 HydrophobicContact CG2-CD1 3.83Å; I577-L581 HydrophobicContact CG2-CG 4.36Å; I577-L581 WeakPolarHBondContact O-CB 3.2Å; I577-L581 VanDerWaalsContact O-CG 3.29Å; I577-L581 WeakPolarHBondContact O-CG 3.06Å; I577-L581 PolarHBondContact O-N 2.92Å; L578-L581 PolarHBondContact O-N 2.68Å; L581-L583 VanDerWaalsContact C-N 3.33Å; L581-L583 PolarHBondContact O-N 2.87Å; L581-L584 PolarHBondContact O-N 3.39Å; L581-I585 VanDerWaalsContact O-CG1 3.25Å; L581-I585 WeakPolarHBondContact O-CG1 3.44Å; L581-I585 PolarHBondContact O-N 2.93Å
582	A	94.4	Very high	91.5	Very high	59 Å²	59	45.1 Å²	45.1	49%	0.488	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-43.2	176.5	0	0	0	0	0	112.1	L578 V580 C586	L578-A582 WeakPolarHBondContact O-CB 3.5Å; L578-A582 PolarHBondContact O-N 3.39Å; V580-A582 PolarHBondContact O-N 3.48Å; A582-C586 WeakPolarHBondContact O-CB 3.39Å; A582-C586 PolarHBondContact O-N 3.21Å
583	L	93.8	Very high	91.8	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-69.7	-38.2	177.7	-175.8	55.8	0	0	0	112.4	A579 V580 L581 C586 Q587 C622 L809 N812 L813	A579-L583 PolarHBondContact O-N 2.71Å; A579-L583 VanDerWaalsContact O-N 3.14Å; V580-L583 PolarHBondContact O-N 2.79Å; L581-L583 VanDerWaalsContact C-N 3.33Å; L581-L583 PolarHBondContact O-N 2.87Å; L583-C586 WeakPolarHBondContact O-CB 3.4Å; L583-C586 PolarHBondContact O-N 3.22Å; L583-Q587 HydrophobicContact CD1-CG 4.42Å; L583-Q587 WeakPolarHBondContact O-CG 3.09Å; L583-Q587 PolarHBondContact O-N 2.87Å; L583-C622 VanDerWaalsContact CD2-SG 3.55Å; L583-L809 HydrophobicContact CB-CD1 4.2Å; L583-L809 HydrophobicContact CD2-CD1 3.58Å; L583-L809 HydrophobicContact CD2-CG 4.15Å; L583-N812 HydrophobicContact CD2-CB 3.89Å; L583-L813 HydrophobicContact CD1-CB 4.13Å; L583-L813 HydrophobicContact CD1-CD1 3.73Å; L583-L813 HydrophobicContact CD2-CB 4.28Å
584	L	94.3	Very high	91.8	Very high	24 Å²	24	44.2 Å²	44.2	13%	0.126	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-45	174.4	-77.2	172.5	0	0	0	111.6	V580 L581 C586 Q587 V588 M619 C622 L623	V580-L584 HydrophobicContact CG1-CD1 3.9Å; V580-L584 HydrophobicContact CG1-CG 4.34Å; V580-L584 WeakPolarHBondContact O-CB 3.42Å; V580-L584 WeakPolarHBondContact O-CG 3.47Å; V580-L584 PolarHBondContact O-N 2.83Å; L581-L584 PolarHBondContact O-N 3.39Å; L584-C586 VanDerWaalsContact C-N 3.28Å; L584-C586 PolarHBondContact O-N 2.75Å; L584-Q587 PolarHBondContact O-N 3.12Å; L584-V588 WeakPolarHBondContact O-CB 3.28Å; L584-V588 VanDerWaalsContact O-CG2 3.27Å; L584-V588 WeakPolarHBondContact O-CG2 3.47Å; L584-V588 PolarHBondContact O-N 3.4Å; L584-M619 HydrophobicContact CD2-CB 4.08Å; L584-M619 HydrophobicContact CD2-CG 4.2Å; L584-C622 HydrophobicContact CD2-CB 3.74Å; L584-C622 HydrophobicContact CG-CB 4.04Å; L584-L623 HydrophobicContact CD1-CD2 3.77Å; L584-L623 HydrophobicContact CD1-CG 4.34Å; L584-L623 HydrophobicContact CD2-CG 4.39Å
585	I	94.3	Very high	91.7	Very high	111 Å²	111	44.3 Å²	44.3	57%	0.569	26%	0.257	S	S	*	.	H	α-helix	trans	-59.1	-43.2	175.6	-68.4	164.2	0	0	0	110.3	L581 V588 S589	L581-I585 VanDerWaalsContact O-CG1 3.25Å; L581-I585 WeakPolarHBondContact O-CG1 3.44Å; L581-I585 PolarHBondContact O-N 2.93Å; I585-V588 PolarHBondContact O-N 2.71Å; I585-S589 WeakPolarHBondContact O-CB 3.36Å; I585-S589 PolarHBondContact O-N 2.85Å; I585-S589 PolarHBondContact O-OG 3.06Å
586	C	92.8	Very high	91.7	Very high	29 Å²	29	45.9 Å²	45.9	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-49.7	175.2	-178.9	0	0	0	0	111.9	A582 L583 L584 V588 S589 V590 F821	A582-C586 WeakPolarHBondContact O-CB 3.39Å; A582-C586 PolarHBondContact O-N 3.21Å; L583-C586 WeakPolarHBondContact O-CB 3.4Å; L583-C586 PolarHBondContact O-N 3.22Å; L584-C586 VanDerWaalsContact C-N 3.28Å; L584-C586 PolarHBondContact O-N 2.75Å; C586-V588 PolarHBondContact O-N 3.05Å; C586-S589 PolarHBondContact O-N 3.46Å; C586-V590 WeakPolarHBondContact O-CG2 3.37Å; C586-V590 PolarHBondContact O-N 2.84Å; C586-F821 VanDerWaalsContact SG-CZ 3.59Å
587	Q	92.7	Very high	91.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-42.3	178.5	-72	171.3	-4.5	0	0	112.5	L583 L584 S589 V590 A591 M619 C622 V816	L583-Q587 HydrophobicContact CD1-CG 4.42Å; L583-Q587 WeakPolarHBondContact O-CG 3.09Å; L583-Q587 PolarHBondContact O-N 2.87Å; L584-Q587 PolarHBondContact O-N 3.12Å; Q587-S589 VanDerWaalsContact C-N 3.34Å; Q587-V590 PolarHBondContact O-N 3.16Å; Q587-A591 WeakPolarHBondContact O-CB 3.25Å; Q587-A591 PolarHBondContact O-N 2.98Å; Q587-M619 VanDerWaalsContact C-CE 3.41Å; Q587-M619 HydrophobicContact CB-CE 3.76Å; Q587-M619 HydrophobicContact CB-CG 3.96Å; Q587-M619 WeakPolarHBondContact O-CE 3.43Å; Q587-C622 PolarHBondContact NE2-SG 2.58Å; Q587-V816 HydrophobicContact CG-CG2 3.77Å
588	V	93.1	Very high	90.9	Very high	72 Å²	72	53.7 Å²	53.7	44%	0.436	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-42.4	177.5	170.4	0	0	0	0	110.1	L584 I585 C586 V590 A591 V592 M619	L584-V588 WeakPolarHBondContact O-CB 3.28Å; L584-V588 VanDerWaalsContact O-CG2 3.27Å; L584-V588 WeakPolarHBondContact O-CG2 3.47Å; L584-V588 PolarHBondContact O-N 3.4Å; I585-V588 PolarHBondContact O-N 2.71Å; C586-V588 PolarHBondContact O-N 3.05Å; V588-V590 PolarHBondContact O-N 3.44Å; V588-A591 PolarHBondContact O-N 2.98Å; V588-V592 HydrophobicContact CG1-CG2 4.36Å; V588-V592 VanDerWaalsContact O-CG2 3.31Å; V588-V592 WeakPolarHBondContact O-CG2 3.37Å; V588-V592 PolarHBondContact O-N 3.34Å; V588-M619 HydrophobicContact CB-CE 4.42Å; V588-M619 HydrophobicContact CG2-CE 3.87Å; V588-M619 HydrophobicContact CG2-SD 4.34Å
589	S	91.5	Very high	90.2	Very high	65 Å²	65	51.6 Å²	51.6	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-46.3	176.9	-58.2	0	0	0	0	111.4	I585 C586 Q587 A591 V592 V593	I585-S589 WeakPolarHBondContact O-CB 3.36Å; I585-S589 PolarHBondContact O-N 2.85Å; I585-S589 PolarHBondContact O-OG 3.06Å; C586-S589 PolarHBondContact O-N 3.46Å; Q587-S589 VanDerWaalsContact C-N 3.34Å; S589-A591 PolarHBondContact O-N 2.99Å; S589-V592 PolarHBondContact O-N 2.88Å; S589-V593 WeakPolarHBondContact O-CG2 3.41Å; S589-V593 PolarHBondContact O-N 2.92Å; S589-V593 VanDerWaalsContact O-N 3.1Å
590	V	91.3	Very high	89.8	Confident	7 Å²	7	51.2 Å²	51.2	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-44.1	174.8	172.6	0	0	0	0	111.2	C586 Q587 V588 V592 V593 F594 L615 Y820 F821	C586-V590 WeakPolarHBondContact O-CG2 3.37Å; C586-V590 PolarHBondContact O-N 2.84Å; Q587-V590 PolarHBondContact O-N 3.16Å; V588-V590 PolarHBondContact O-N 3.44Å; V590-V592 PolarHBondContact O-N 2.86Å; V590-V593 PolarHBondContact O-N 3.16Å; V590-F594 HydrophobicContact CG1-CD2 4.08Å; V590-F594 HydrophobicContact CG1-CE2 4.13Å; V590-F594 VanDerWaalsContact O-CD2 3.31Å; V590-F594 WeakPolarHBondContact O-CD2 3.24Å; V590-F594 PolarHBondContact O-N 2.9Å; V590-L615 HydrophobicContact CG1-CD1 4.13Å; V590-L615 HydrophobicContact CG1-CD2 4.06Å; V590-Y820 HydrophobicContact CG1-CD1 3.7Å; V590-Y820 HydrophobicContact CG1-CG 3.74Å; V590-F821 HydrophobicContact CG2-CD1 4.41Å; V590-F821 HydrophobicContact CG2-CE1 4.1Å
591	A	90.1	Very high	89.2	Confident	14 Å²	14	52.4 Å²	52.4	12%	0.116	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-43.1	178.3	0	0	0	0	0	112.3	Q587 V588 S589 F594 L595 L615 M619	Q587-A591 WeakPolarHBondContact O-CB 3.25Å; Q587-A591 PolarHBondContact O-N 2.98Å; V588-A591 PolarHBondContact O-N 2.98Å; S589-A591 PolarHBondContact O-N 2.99Å; A591-F594 PolarHBondContact O-N 2.92Å; A591-L595 WeakPolarHBondContact O-CB 3.39Å; A591-L595 VanDerWaalsContact O-CG 3.31Å; A591-L595 WeakPolarHBondContact O-CG 3.35Å; A591-L595 PolarHBondContact O-N 3.26Å; A591-L615 HydrophobicContact CB-CD1 3.98Å; A591-M619 HydrophobicContact CB-CE 3.9Å
592	V	90.6	Very high	88.6	Confident	71 Å²	71	48.5 Å²	48.5	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-45.5	176.9	170.9	0	0	0	0	111.2	V588 S589 V590 F594 L595 I596	V588-V592 HydrophobicContact CG1-CG2 4.36Å; V588-V592 VanDerWaalsContact O-CG2 3.31Å; V588-V592 WeakPolarHBondContact O-CG2 3.37Å; V588-V592 PolarHBondContact O-N 3.34Å; S589-V592 PolarHBondContact O-N 2.88Å; V590-V592 PolarHBondContact O-N 2.86Å; V592-F594 VanDerWaalsContact C-N 3.33Å; V592-F594 PolarHBondContact O-N 3.22Å; V592-L595 PolarHBondContact O-N 2.7Å; V592-I596 HydrophobicContact CG1-CD1 3.95Å; V592-I596 WeakPolarHBondContact O-CG1 3.39Å; V592-I596 PolarHBondContact O-N 2.73Å
593	V	89.3	Confident	88.1	Confident	23 Å²	23	45.7 Å²	45.7	14%	0.139	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-44.9	176.9	173.3	0	0	0	0	111.1	S589 V590 L595 I596 H597 L827 F828	S589-V593 WeakPolarHBondContact O-CG2 3.41Å; S589-V593 PolarHBondContact O-N 2.92Å; S589-V593 VanDerWaalsContact O-N 3.1Å; V590-V593 PolarHBondContact O-N 3.16Å; V593-L595 VanDerWaalsContact C-N 3.35Å; V593-L595 PolarHBondContact O-N 3.01Å; V593-I596 PolarHBondContact O-N 3.33Å; V593-H597 PolarHBondContact O-CD2 3.27Å; V593-H597 PolarHBondContact O-N 3.46Å; V593-H597 VanDerWaalsContact O-N 3.16Å; V593-L827 HydrophobicContact CG1-CD1 3.94Å; V593-F828 HydrophobicContact CG1-CE2 4.11Å; V593-F828 HydrophobicContact CG1-CZ 4.02Å; V593-F828 HydrophobicContact CG2-CE2 4.04Å; V593-F828 HydrophobicContact CG2-CZ 3.66Å
594	F	88.3	Confident	87.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-32.7	178.3	-86.7	-117.9	0	0	0	112.7	V590 A591 V592 H597 R598 V603 T611 F612 Y820 K823	V590-F594 HydrophobicContact CG1-CD2 4.08Å; V590-F594 HydrophobicContact CG1-CE2 4.13Å; V590-F594 VanDerWaalsContact O-CD2 3.31Å; V590-F594 WeakPolarHBondContact O-CD2 3.24Å; V590-F594 PolarHBondContact O-N 2.9Å; A591-F594 PolarHBondContact O-N 2.92Å; V592-F594 VanDerWaalsContact C-N 3.33Å; V592-F594 PolarHBondContact O-N 3.22Å; F594-H597 CarbonylContact O-C 3.57Å; F594-R598 WeakPolarHBondContact O-CA 3.41Å; F594-R598 PolarHBondContact O-N 3.35Å; F594-V603 HydrophobicContact CD1-CG1 4.26Å; F594-V603 HydrophobicContact CD1-CG2 3.99Å; F594-V603 HydrophobicContact CE1-CG2 4.37Å; F594-V603 HydrophobicContact CG-CG2 4.49Å; F594-T611 HydrophobicContact CD1-CG2 3.86Å; F594-T611 HydrophobicContact CE1-CG2 3.88Å; F594-F612 HydrophobicContact CB-CE1 3.82Å; F594-F612 HydrophobicContact CB-CZ 4.08Å; F594-Y820 HydrophobicContact CE1-CD1 4.09Å; F594-Y820 HydrophobicContact CE1-CE1 4.18Å; F594-Y820 HydrophobicContact CE2-CD1 4Å; F594-Y820 AromaticContact CZ-CD1 3.68Å; F594-Y820 HydrophobicContact CZ-CD1 3.68Å; F594-Y820 HydrophobicContact CZ-CE1 4.24Å; F594-K823 HydrophobicContact CE1-CD 4.4Å; F594-K823 HydrophobicContact CE2-CB 4.41Å; F594-K823 HydrophobicContact CZ-CB 3.82Å; F594-K823 HydrophobicContact CZ-CD 3.95Å
595	L	87.4	Confident	86.4	Confident	96 Å²	96	50.9 Å²	50.9	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-66.4	-45.8	174.9	-77.4	173	0	0	0	111.8	A591 V592 V593 H597 R598 F612	A591-L595 WeakPolarHBondContact O-CB 3.39Å; A591-L595 VanDerWaalsContact O-CG 3.31Å; A591-L595 WeakPolarHBondContact O-CG 3.35Å; A591-L595 PolarHBondContact O-N 3.26Å; V592-L595 PolarHBondContact O-N 2.7Å; V593-L595 VanDerWaalsContact C-N 3.35Å; V593-L595 PolarHBondContact O-N 3.01Å; L595-H597 VanDerWaalsContact C-N 3.27Å; L595-H597 PolarHBondContact O-N 3.29Å; L595-R598 WeakPolarHBondContact O-CB 3.28Å; L595-R598 PolarHBondContact O-N 2.85Å; L595-F612 HydrophobicContact CB-CE1 4.31Å; L595-F612 HydrophobicContact CD2-CD1 3.95Å; L595-F612 HydrophobicContact CD2-CE1 3.42Å; L595-F612 VanDerWaalsContact CD2-CE1 3.42Å; L595-F612 HydrophobicContact CD2-CE2 4.44Å; L595-F612 HydrophobicContact CD2-CZ 3.69Å; L595-F612 HydrophobicContact CG-CD1 4.21Å; L595-F612 HydrophobicContact CG-CE1 3.52Å; L595-F612 HydrophobicContact CG-CZ 4.11Å
596	I	87.9	Confident	85.6	Confident	127 Å²	127	45.7 Å²	45.7	65%	0.651	26%	0.257	S	S	*	.	H	α-helix	trans	-59.5	-42	177.6	-67.2	167.5	0	0	0	110.1	V592 V593	V592-I596 HydrophobicContact CG1-CD1 3.95Å; V592-I596 WeakPolarHBondContact O-CG1 3.39Å; V592-I596 PolarHBondContact O-N 2.73Å; V593-I596 PolarHBondContact O-N 3.33Å
597	H	85	Confident	84.9	Confident	62 Å²	62	45.5 Å²	45.5	29%	0.287	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	21.3	-178.4	-66.2	-71.5	0	0	0	114.5	V593 F594 L595 G599 T600 V603 L827	V593-H597 PolarHBondContact O-CD2 3.27Å; V593-H597 PolarHBondContact O-N 3.46Å; V593-H597 VanDerWaalsContact O-N 3.16Å; F594-H597 CarbonylContact O-C 3.57Å; L595-H597 VanDerWaalsContact C-N 3.27Å; L595-H597 PolarHBondContact O-N 3.29Å; H597-G599 PolarHBondContact O-N 2.84Å; H597-T600 HydrophobicContact CB-CG2 3.89Å; H597-T600 WeakPolarHBondContact O-CB 3.29Å; H597-T600 WeakPolarHBondContact O-CG2 3.09Å; H597-T600 PolarHBondContact O-N 2.88Å; H597-T600 PolarHBondContact O-OG1 2.96Å; H597-V603 WeakPolarHBondContact O-CG2 3.12Å; H597-L827 HydrophobicContact CB-CD1 4.29Å; H597-L827 HydrophobicContact CB-CD2 4.12Å
598	R	81.1	Confident	84.4	Confident	141 Å²	141	46.3 Å²	46.3	53%	0.532	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.8	-174.6	-177.8	178.4	175.9	-175.4	0.2	114.4	F594 L595 T600 F612	F594-R598 WeakPolarHBondContact O-CA 3.41Å; F594-R598 PolarHBondContact O-N 3.35Å; L595-R598 WeakPolarHBondContact O-CB 3.28Å; L595-R598 PolarHBondContact O-N 2.85Å; R598-T600 VanDerWaalsContact C-N 3.31Å; R598-F612 HydrophobicContact CG-CE2 4.25Å; R598-F612 HydrophobicContact CG-CZ 4.5Å
599	G	77.6	Confident	84	Confident	60 Å²	60	46.7 Å²	46.7	62%	0.619	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.4	177.9	0	0	0	0	0	114.9	H597	H597-G599 PolarHBondContact O-N 2.84Å
600	T	83.8	Confident	83.7	Confident	25 Å²	25	44.2 Å²	44.2	15%	0.153	25%	0.252	C	S	.	.	S	Bend	trans	-76.6	149.4	-170.3	63.2	0	0	0	0	113.8	H597 R598 L602 V603 K604 N834	H597-T600 HydrophobicContact CB-CG2 3.89Å; H597-T600 WeakPolarHBondContact O-CB 3.29Å; H597-T600 WeakPolarHBondContact O-CG2 3.09Å; H597-T600 PolarHBondContact O-N 2.88Å; H597-T600 PolarHBondContact O-OG1 2.96Å; R598-T600 VanDerWaalsContact C-N 3.31Å; T600-L602 VanDerWaalsContact C-N 3.29Å; T600-L602 PolarHBondContact O-N 2.63Å; T600-V603 PolarHBondContact O-N 3.16Å; T600-V603 WeakPolarHBondContact OG1-CG2 3.28Å; T600-K604 PolarHBondContact O-N 3.5Å; T600-N834 WeakPolarHBondContact CB-ND2 3.36Å; T600-N834 WeakPolarHBondContact CG2-ND2 3.46Å
601	P	79.6	Confident	83.5	Confident	25 Å²	25	44 Å²	44	16%	0.162	25%	0.251	C	S	.	.	H	α-helix	trans	-53.7	-40	175.9	-28.4	36.5	0	0	0	113.9	V603 K604 A605 N834 P836 F839 L843	P601-V603 PolarHBondContact O-N 3.2Å; P601-K604 PolarHBondContact O-N 3.37Å; P601-A605 VanDerWaalsContact O-CB 3.32Å; P601-A605 WeakPolarHBondContact O-CB 3.39Å; P601-A605 PolarHBondContact O-N 2.77Å; P601-N834 WeakPolarHBondContact CD-OD1 3.45Å; P601-P836 HydrophobicContact CG-CG 4.1Å; P601-F839 HydrophobicContact CB-CD2 4Å; P601-L843 HydrophobicContact CB-CD1 4.21Å
602	L	82.4	Confident	83.5	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-47.1	177.2	175.5	70.4	0	0	0	113.1	T600 A605 S606 K823 L826 L827 N834 F839	T600-L602 VanDerWaalsContact C-N 3.29Å; T600-L602 PolarHBondContact O-N 2.63Å; L602-A605 PolarHBondContact O-N 2.79Å; L602-S606 WeakPolarHBondContact O-CB 3.42Å; L602-S606 PolarHBondContact O-N 3.02Å; L602-S606 PolarHBondContact O-OG 3.1Å; L602-K823 HydrophobicContact CD1-CG 4.38Å; L602-K823 HydrophobicContact CD2-CB 4.21Å; L602-L826 HydrophobicContact CD2-CD2 4.17Å; L602-L827 HydrophobicContact CD2-CD1 4.02Å; L602-L827 HydrophobicContact CD2-CD2 3.66Å; L602-L827 HydrophobicContact CD2-CG 3.52Å; L602-N834 WeakPolarHBondContact CB-OD1 3.46Å; L602-N834 PolarHBondContact N-OD1 3.25Å; L602-N834 VanDerWaalsContact N-OD1 3.12Å; L602-F839 HydrophobicContact CB-CE1 4.38Å; L602-F839 HydrophobicContact CB-CE2 3.99Å; L602-F839 HydrophobicContact CB-CZ 3.79Å; L602-F839 HydrophobicContact CD1-CE1 3.44Å; L602-F839 VanDerWaalsContact CD1-CE1 3.44Å; L602-F839 HydrophobicContact CD1-CE2 4.41Å; L602-F839 HydrophobicContact CD1-CZ 3.38Å; L602-F839 HydrophobicContact CG-CZ 4.15Å
603	V	82.6	Confident	83.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.8	-37.3	-177.4	176.8	0	0	0	0	110.6	F594 H597 T600 P601 S606 G608	F594-V603 HydrophobicContact CD1-CG1 4.26Å; F594-V603 HydrophobicContact CD1-CG2 3.99Å; F594-V603 HydrophobicContact CE1-CG2 4.37Å; F594-V603 HydrophobicContact CG-CG2 4.49Å; H597-V603 WeakPolarHBondContact O-CG2 3.12Å; T600-V603 PolarHBondContact O-N 3.16Å; T600-V603 WeakPolarHBondContact OG1-CG2 3.28Å; P601-V603 PolarHBondContact O-N 3.2Å; V603-S606 PolarHBondContact O-N 2.92Å; V603-G608 WeakPolarHBondContact O-CA 3.42Å; V603-G608 PolarHBondContact O-N 3.23Å
604	K	79.6	Confident	83.6	Confident	127 Å²	127	43.4 Å²	43.4	55%	0.552	24%	0.241	S	C	*	.	H	α-helix	trans	-65.9	-43.5	174.2	-69.8	178.3	-179.6	171.6	0	112.1	T600 P601 S606 G607 L843	T600-K604 PolarHBondContact O-N 3.5Å; P601-K604 PolarHBondContact O-N 3.37Å; K604-S606 PolarHBondContact O-N 3.27Å; K604-G607 PolarHBondContact O-N 2.94Å; K604-L843 HydrophobicContact CB-CD2 3.97Å
605	A	74.5	Confident	83.8	Confident	14 Å²	14	43.5 Å²	43.5	12%	0.116	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-26.2	177.1	0	0	0	0	0	113	P601 L602 G607 L764 F839 F842 L843	P601-A605 VanDerWaalsContact O-CB 3.32Å; P601-A605 WeakPolarHBondContact O-CB 3.39Å; P601-A605 PolarHBondContact O-N 2.77Å; L602-A605 PolarHBondContact O-N 2.79Å; A605-G607 VanDerWaalsContact C-N 3.25Å; A605-G607 PolarHBondContact O-N 3.2Å; A605-L764 WeakPolarHBondContact O-CD2 3.39Å; A605-F839 HydrophobicContact CB-CB 3.96Å; A605-F839 HydrophobicContact CB-CD1 3.93Å; A605-F839 HydrophobicContact CB-CG 4.12Å; A605-F842 HydrophobicContact CB-CB 4.17Å; A605-L843 HydrophobicContact CB-CD2 4.19Å; A605-L843 HydrophobicContact CB-CG 4.34Å
606	S	77.3	Confident	84.1	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.007	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	8.1	177.4	-56.7	0	0	0	0	114.2	L602 V603 K604 T611 Y819 K823	L602-S606 WeakPolarHBondContact O-CB 3.42Å; L602-S606 PolarHBondContact O-N 3.02Å; L602-S606 PolarHBondContact O-OG 3.1Å; V603-S606 PolarHBondContact O-N 2.92Å; K604-S606 PolarHBondContact O-N 3.27Å; S606-T611 PolarHBondContact O-OG1 3.27Å; S606-Y819 PolarHBondContact O-OH 3.31Å; S606-K823 WeakPolarHBondContact OG-CD 3.43Å; S606-K823 WeakPolarHBondContact OG-CE 3.18Å
607	G	76.6	Confident	84.4	Confident	25 Å²	25	38.5 Å²	38.5	26%	0.258	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	107	-0.1	179.2	0	0	0	0	0	115.2	K604 A605 V609 L610	K604-G607 PolarHBondContact O-N 2.94Å; A605-G607 VanDerWaalsContact C-N 3.25Å; A605-G607 PolarHBondContact O-N 3.2Å; G607-V609 PolarHBondContact O-N 3.12Å; G607-V609 VanDerWaalsContact O-N 3.12Å; G607-L610 WeakPolarHBondContact O-CB 3.27Å; G607-L610 PolarHBondContact O-N 2.98Å; G607-L610 VanDerWaalsContact O-N 3.1Å
608	G	83	Confident	84.8	Confident	18 Å²	18	35.7 Å²	35.7	19%	0.186	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-112.4	172.7	0	0	0	0	0	113.7	V603 L610 T611	V603-G608 WeakPolarHBondContact O-CA 3.42Å; V603-G608 PolarHBondContact O-N 3.23Å; G608-L610 VanDerWaalsContact C-N 3.3Å; G608-L610 PolarHBondContact O-N 3.13Å; G608-T611 PolarHBondContact N-OG1 2.79Å; G608-T611 WeakPolarHBondContact O-CB 3.31Å; G608-T611 PolarHBondContact O-N 3.27Å; G608-T611 PolarHBondContact O-OG1 3.2Å
609	V	83.7	Confident	85.4	Confident	79 Å²	79	30.3 Å²	30.3	48%	0.479	19%	0.185	S	C	.	.	H	α-helix	trans	-66.7	-32.4	-179.5	178	0	0	0	0	111.9	G607 T611 F612 L613	G607-V609 PolarHBondContact O-N 3.12Å; G607-V609 VanDerWaalsContact O-N 3.12Å; V609-T611 PolarHBondContact O-N 3.16Å; V609-F612 PolarHBondContact O-N 3.42Å; V609-L613 PolarHBondContact O-N 3.31Å
610	L	86	Confident	86.1	Confident	13 Å²	13	28 Å²	28	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-29.5	-179.3	-64.6	172.7	0	0	0	112.1	G607 G608 F612 L613 V614 I654 W685	G607-L610 WeakPolarHBondContact O-CB 3.27Å; G607-L610 PolarHBondContact O-N 2.98Å; G607-L610 VanDerWaalsContact O-N 3.1Å; G608-L610 VanDerWaalsContact C-N 3.3Å; G608-L610 PolarHBondContact O-N 3.13Å; L610-F612 VanDerWaalsContact C-N 3.31Å; L610-F612 PolarHBondContact O-N 3.18Å; L610-L613 HydrophobicContact CD2-CD1 4.17Å; L610-L613 WeakPolarHBondContact O-CB 3.37Å; L610-L613 PolarHBondContact O-N 2.96Å; L610-L613 VanDerWaalsContact O-N 3.14Å; L610-V614 WeakPolarHBondContact O-CG2 3.5Å; L610-V614 PolarHBondContact O-N 3.32Å; L610-I654 HydrophobicContact CB-CG2 3.85Å; L610-W685 HydrophobicContact CD2-CD2 4.31Å; L610-W685 HydrophobicContact CD2-CZ2 3.91Å
611	T	87.8	Confident	86.5	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-37.4	176.5	-46.9	0	0	0	0	112.3	F594 S606 G608 V609 L613 V614 L615 Y820	F594-T611 HydrophobicContact CD1-CG2 3.86Å; F594-T611 HydrophobicContact CE1-CG2 3.88Å; S606-T611 PolarHBondContact O-OG1 3.27Å; G608-T611 PolarHBondContact N-OG1 2.79Å; G608-T611 WeakPolarHBondContact O-CB 3.31Å; G608-T611 PolarHBondContact O-N 3.27Å; G608-T611 PolarHBondContact O-OG1 3.2Å; V609-T611 PolarHBondContact O-N 3.16Å; T611-L613 VanDerWaalsContact C-N 3.35Å; T611-V614 PolarHBondContact O-N 2.85Å; T611-L615 PolarHBondContact O-N 2.89Å; T611-L615 VanDerWaalsContact O-N 3.16Å; T611-Y820 HydrophobicContact CG2-CE1 3.51Å; T611-Y820 PolarHBondContact O-OH 3.48Å
612	F	89	Confident	87.2	Confident	36 Å²	36	25.6 Å²	25.6	16%	0.158	15%	0.146	C	C	.	.	H	α-helix	trans	-70.3	-33	175	-64.4	-71.1	0	0	0	112.1	F594 L595 R598 V609 L610 L615 L616	F594-F612 HydrophobicContact CB-CE1 3.82Å; F594-F612 HydrophobicContact CB-CZ 4.08Å; L595-F612 HydrophobicContact CB-CE1 4.31Å; L595-F612 HydrophobicContact CD2-CD1 3.95Å; L595-F612 HydrophobicContact CD2-CE1 3.42Å; L595-F612 VanDerWaalsContact CD2-CE1 3.42Å; L595-F612 HydrophobicContact CD2-CE2 4.44Å; L595-F612 HydrophobicContact CD2-CZ 3.69Å; L595-F612 HydrophobicContact CG-CD1 4.21Å; L595-F612 HydrophobicContact CG-CE1 3.52Å; L595-F612 HydrophobicContact CG-CZ 4.11Å; R598-F612 HydrophobicContact CG-CE2 4.25Å; R598-F612 HydrophobicContact CG-CZ 4.5Å; V609-F612 PolarHBondContact O-N 3.42Å; L610-F612 VanDerWaalsContact C-N 3.31Å; L610-F612 PolarHBondContact O-N 3.18Å; F612-L615 PolarHBondContact O-N 3.05Å; F612-L616 WeakPolarHBondContact O-CB 3.27Å; F612-L616 PolarHBondContact O-N 3.3Å
613	L	90.9	Very high	87.7	Confident	56 Å²	56	30.1 Å²	30.1	29%	0.293	17%	0.17	S	C	.	.	H	α-helix	trans	-67.7	-37.5	174.5	-69.3	170.2	0	0	0	112.1	V609 L610 T611 L616 S617 I654 W685	V609-L613 PolarHBondContact O-N 3.31Å; L610-L613 HydrophobicContact CD2-CD1 4.17Å; L610-L613 WeakPolarHBondContact O-CB 3.37Å; L610-L613 PolarHBondContact O-N 2.96Å; L610-L613 VanDerWaalsContact O-N 3.14Å; T611-L613 VanDerWaalsContact C-N 3.35Å; L613-L616 PolarHBondContact O-N 2.91Å; L613-S617 WeakPolarHBondContact O-CB 3.23Å; L613-S617 PolarHBondContact O-N 3.44Å; L613-S617 PolarHBondContact O-OG 3.12Å; L613-I654 HydrophobicContact CB-CD1 3.96Å; L613-W685 HydrophobicContact CD1-CH2 3.34Å; L613-W685 HydrophobicContact CD1-CZ2 3.81Å; L613-W685 HydrophobicContact CD1-CZ3 4.09Å
614	V	91.8	Very high	88.1	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-46.8	172.4	174.1	0	0	0	0	110.9	L610 T611 S617 L618 A651 I654 Y820	L610-V614 WeakPolarHBondContact O-CG2 3.5Å; L610-V614 PolarHBondContact O-N 3.32Å; T611-V614 PolarHBondContact O-N 2.85Å; V614-S617 PolarHBondContact O-N 2.91Å; V614-S617 PolarHBondContact O-OG 2.89Å; V614-L618 HydrophobicContact CG1-CD1 3.99Å; V614-L618 HydrophobicContact CG1-CG 4.47Å; V614-L618 WeakPolarHBondContact O-CB 3.11Å; V614-L618 VanDerWaalsContact O-CG 3.24Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.34Å; V614-A651 HydrophobicContact CG1-CB 4.05Å; V614-I654 HydrophobicContact CG2-CB 3.64Å; V614-I654 HydrophobicContact CG2-CD1 3.69Å; V614-I654 HydrophobicContact CG2-CG1 4.26Å; V614-I654 HydrophobicContact CG2-CG2 3.49Å; V614-I654 VanDerWaalsContact CG2-CG2 3.49Å; V614-Y820 WeakPolarHBondContact CB-OH 3.23Å; V614-Y820 HydrophobicContact CG1-CE2 4.4Å; V614-Y820 VanDerWaalsContact CG1-OH 3.3Å; V614-Y820 WeakPolarHBondContact CG1-OH 3.33Å
615	L	91.9	Very high	88.7	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-42.9	178.2	-73.2	168.2	0	0	0	111.8	V590 A591 T611 F612 S617 L618 M619 Y820	V590-L615 HydrophobicContact CG1-CD1 4.13Å; V590-L615 HydrophobicContact CG1-CD2 4.06Å; A591-L615 HydrophobicContact CB-CD1 3.98Å; T611-L615 PolarHBondContact O-N 2.89Å; T611-L615 VanDerWaalsContact O-N 3.16Å; F612-L615 PolarHBondContact O-N 3.05Å; L615-S617 PolarHBondContact O-N 3.31Å; L615-L618 PolarHBondContact O-N 2.72Å; L615-M619 VanDerWaalsContact O-CG 3.25Å; L615-M619 WeakPolarHBondContact O-CG 3.15Å; L615-M619 PolarHBondContact O-N 3.41Å; L615-Y820 HydrophobicContact CD1-CE1 4.03Å; L615-Y820 HydrophobicContact CD2-CD1 4.5Å; L615-Y820 HydrophobicContact CD2-CD2 4.12Å; L615-Y820 HydrophobicContact CD2-CE1 4.15Å; L615-Y820 HydrophobicContact CD2-CE2 3.73Å; L615-Y820 HydrophobicContact CD2-CG 4.5Å; L615-Y820 HydrophobicContact CG-CE1 4.05Å; L615-Y820 HydrophobicContact CG-CE2 4.22Å
616	L	93.4	Very high	89.5	Confident	112 Å²	112	26.2 Å²	26.2	59%	0.586	15%	0.151	S	C	*	.	H	α-helix	trans	-64.1	-40	177.7	-173.5	67.8	0	0	0	112	F612 L613 M619 G620	F612-L616 WeakPolarHBondContact O-CB 3.27Å; F612-L616 PolarHBondContact O-N 3.3Å; L613-L616 PolarHBondContact O-N 2.91Å; L616-M619 PolarHBondContact O-N 3.38Å; L616-G620 PolarHBondContact O-N 2.86Å
617	S	94.3	Very high	90.1	Very high	7 Å²	7	29 Å²	29	5%	0.049	17%	0.165	C	C	.	.	H	α-helix	trans	-70.7	-38.1	177.9	80.3	0	0	0	0	111.6	L613 V614 L615 M619 G620 G621 F647 A651	L613-S617 WeakPolarHBondContact O-CB 3.23Å; L613-S617 PolarHBondContact O-N 3.44Å; L613-S617 PolarHBondContact O-OG 3.12Å; V614-S617 PolarHBondContact O-N 2.91Å; V614-S617 PolarHBondContact O-OG 2.89Å; L615-S617 PolarHBondContact O-N 3.31Å; S617-M619 VanDerWaalsContact C-N 3.33Å; S617-M619 PolarHBondContact O-N 2.73Å; S617-G620 PolarHBondContact O-N 2.67Å; S617-G621 PolarHBondContact O-N 3.11Å; S617-F647 VanDerWaalsContact CB-O 3.32Å; S617-F647 WeakPolarHBondContact CB-O 3.45Å; S617-F647 WeakPolarHBondContact O-CB 3.38Å; S617-F647 PolarHBondContact OG-O 2.8Å; S617-F647 VanDerWaalsContact OG-O 3.11Å; S617-A651 WeakPolarHBondContact OG-CB 3.33Å; S617-A651 PolarHBondContact OG-N 2.72Å
618	L	93.5	Very high	90.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-36.5	172.8	-68.7	174.3	0	0	0	112.4	V614 L615 G621 C622 A651 L815 V816	V614-L618 HydrophobicContact CG1-CD1 3.99Å; V614-L618 HydrophobicContact CG1-CG 4.47Å; V614-L618 WeakPolarHBondContact O-CB 3.11Å; V614-L618 VanDerWaalsContact O-CG 3.24Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.34Å; L615-L618 PolarHBondContact O-N 2.72Å; L618-G621 PolarHBondContact O-N 2.6Å; L618-C622 PolarHBondContact O-N 2.77Å; L618-C622 PolarHBondContact O-SG 3.24Å; L618-A651 HydrophobicContact CD2-CB 3.84Å; L618-A651 HydrophobicContact CG-CB 3.99Å; L618-L815 HydrophobicContact CD2-CD1 4.03Å; L618-V816 HydrophobicContact CD1-CG2 4.02Å
619	M	94.3	Very high	91	Very high	28 Å²	28	28.4 Å²	28.4	14%	0.138	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-44.4	171.1	-69.8	169.3	-170.2	0	0	111.7	L584 Q587 V588 A591 L615 L616 S617 G621 C622 L623	L584-M619 HydrophobicContact CD2-CB 4.08Å; L584-M619 HydrophobicContact CD2-CG 4.2Å; Q587-M619 VanDerWaalsContact C-CE 3.41Å; Q587-M619 HydrophobicContact CB-CE 3.76Å; Q587-M619 HydrophobicContact CB-CG 3.96Å; Q587-M619 WeakPolarHBondContact O-CE 3.43Å; V588-M619 HydrophobicContact CB-CE 4.42Å; V588-M619 HydrophobicContact CG2-CE 3.87Å; V588-M619 HydrophobicContact CG2-SD 4.34Å; A591-M619 HydrophobicContact CB-CE 3.9Å; L615-M619 VanDerWaalsContact O-CG 3.25Å; L615-M619 WeakPolarHBondContact O-CG 3.15Å; L615-M619 PolarHBondContact O-N 3.41Å; L616-M619 PolarHBondContact O-N 3.38Å; S617-M619 VanDerWaalsContact C-N 3.33Å; S617-M619 PolarHBondContact O-N 2.73Å; M619-G621 VanDerWaalsContact C-N 3.3Å; M619-G621 PolarHBondContact O-N 3.04Å; M619-C622 WeakPolarHBondContact O-CB 3.19Å; M619-C622 PolarHBondContact O-N 3.24Å; M619-C622 VanDerWaalsContact O-N 3.17Å; M619-L623 WeakPolarHBondContact O-CG 3.34Å; M619-L623 PolarHBondContact O-N 2.97Å
620	G	93.2	Very high	91	Very high	11 Å²	11	25 Å²	25	11%	0.113	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-41.8	173.8	0	0	0	0	0	112.4	L616 S617 C622 L623 S624 F647	L616-G620 PolarHBondContact O-N 2.86Å; S617-G620 PolarHBondContact O-N 2.67Å; G620-C622 PolarHBondContact O-N 2.75Å; G620-L623 PolarHBondContact O-N 3.19Å; G620-S624 PolarHBondContact O-N 3.48Å; G620-S624 PolarHBondContact O-OG 3.4Å; G620-F647 WeakPolarHBondContact O-CD2 3.45Å
621	G	92.2	Very high	91	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-41.5	173.6	0	0	0	0	0	112.8	S617 L618 M619 S624	S617-G621 PolarHBondContact O-N 3.11Å; L618-G621 PolarHBondContact O-N 2.6Å; M619-G621 VanDerWaalsContact C-N 3.3Å; M619-G621 PolarHBondContact O-N 3.04Å; G621-S624 WeakPolarHBondContact CA-OG 3.43Å; G621-S624 PolarHBondContact O-N 2.9Å; G621-S624 PolarHBondContact O-OG 2.89Å
622	C	92.6	Very high	90.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-43.3	174.6	-73.1	0	0	0	0	112.7	V580 L583 L584 Q587 L618 M619 G620 S624 L625	V580-C622 HydrophobicContact CG1-CB 4.36Å; L583-C622 VanDerWaalsContact CD2-SG 3.55Å; L584-C622 HydrophobicContact CD2-CB 3.74Å; L584-C622 HydrophobicContact CG-CB 4.04Å; Q587-C622 PolarHBondContact NE2-SG 2.58Å; L618-C622 PolarHBondContact O-N 2.77Å; L618-C622 PolarHBondContact O-SG 3.24Å; M619-C622 WeakPolarHBondContact O-CB 3.19Å; M619-C622 PolarHBondContact O-N 3.24Å; M619-C622 VanDerWaalsContact O-N 3.17Å; G620-C622 PolarHBondContact O-N 2.75Å; C622-S624 VanDerWaalsContact C-N 3.3Å; C622-S624 PolarHBondContact O-N 2.89Å; C622-L625 WeakPolarHBondContact O-CB 3.17Å; C622-L625 PolarHBondContact O-N 3.06Å
623	L	92.6	Very high	90.8	Very high	95 Å²	95	34.3 Å²	34.3	50%	0.497	18%	0.181	S	C	.	.	H	α-helix	trans	-65.1	-33.9	177.6	-70.9	171.6	0	0	0	112.3	L584 M619 G620 L625 F626	L584-L623 HydrophobicContact CD1-CD2 3.77Å; L584-L623 HydrophobicContact CD1-CG 4.34Å; L584-L623 HydrophobicContact CD2-CG 4.39Å; M619-L623 WeakPolarHBondContact O-CG 3.34Å; M619-L623 PolarHBondContact O-N 2.97Å; G620-L623 PolarHBondContact O-N 3.19Å; L623-L625 PolarHBondContact O-N 3.11Å; L623-F626 HydrophobicContact CD2-CD2 4.38Å; L623-F626 HydrophobicContact CD2-CE2 4.07Å; L623-F626 WeakPolarHBondContact O-CD2 3.19Å; L623-F626 PolarHBondContact O-N 2.79Å
624	S	92.6	Very high	90.6	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-16.4	177.3	60.6	0	0	0	0	114.3	G620 G621 C622 F626 L627 I644	G620-S624 PolarHBondContact O-N 3.48Å; G620-S624 PolarHBondContact O-OG 3.4Å; G621-S624 WeakPolarHBondContact CA-OG 3.43Å; G621-S624 PolarHBondContact O-N 2.9Å; G621-S624 PolarHBondContact O-OG 2.89Å; C622-S624 VanDerWaalsContact C-N 3.3Å; C622-S624 PolarHBondContact O-N 2.89Å; S624-F626 PolarHBondContact O-N 3.23Å; S624-L627 WeakPolarHBondContact O-CB 3.49Å; S624-L627 WeakPolarHBondContact O-CG 3.3Å; S624-L627 PolarHBondContact O-N 2.93Å; S624-I644 WeakPolarHBondContact OG-CG1 3.33Å
625	L	91.8	Very high	90.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-68.2	-22.3	175.6	-64.6	169.1	0	0	0	113.1	V580 C622 L623 L627 F628 I644 V805 T808 L809	V580-L625 HydrophobicContact CG2-CB 4.17Å; V580-L625 HydrophobicContact CG2-CD1 3.88Å; C622-L625 WeakPolarHBondContact O-CB 3.17Å; C622-L625 PolarHBondContact O-N 3.06Å; L623-L625 PolarHBondContact O-N 3.11Å; L625-L627 PolarHBondContact O-N 3.25Å; L625-F628 PolarHBondContact O-N 3.35Å; L625-I644 HydrophobicContact CD2-CD1 3.68Å; L625-I644 HydrophobicContact CD2-CG1 4.44Å; L625-V805 HydrophobicContact CB-CG1 4.46Å; L625-V805 HydrophobicContact CD2-CB 4.37Å; L625-V805 HydrophobicContact CD2-CG1 4.1Å; L625-V805 HydrophobicContact CD2-CG2 4.32Å; L625-T808 HydrophobicContact CD1-CG2 4.46Å; L625-T808 HydrophobicContact CD2-CG2 3.8Å; L625-T808 HydrophobicContact CG-CG2 4.48Å; L625-L809 HydrophobicContact CD1-CB 4.45Å; L625-L809 HydrophobicContact CD1-CD1 4.11Å
626	F	91.2	Very high	90.3	Very high	51 Å²	51	39 Å²	39	22%	0.224	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-65.5	-19.2	175	-68.7	-59.7	0	0	0	113.1	I577 V580 L623 S624 F628 L629	I577-F626 HydrophobicContact CB-CE1 4.44Å; I577-F626 HydrophobicContact CG1-CE1 4.02Å; I577-F626 HydrophobicContact CG2-CE1 4.37Å; V580-F626 HydrophobicContact CB-CZ 4.2Å; V580-F626 HydrophobicContact CG1-CE1 4.38Å; V580-F626 HydrophobicContact CG1-CE2 3.81Å; V580-F626 HydrophobicContact CG1-CZ 3.65Å; L623-F626 HydrophobicContact CD2-CD2 4.38Å; L623-F626 HydrophobicContact CD2-CE2 4.07Å; L623-F626 WeakPolarHBondContact O-CD2 3.19Å; L623-F626 PolarHBondContact O-N 2.79Å; S624-F626 PolarHBondContact O-N 3.23Å; F626-F628 PolarHBondContact O-N 2.83Å; F626-L629 HydrophobicContact CD1-CD1 4.03Å; F626-L629 PolarHBondContact O-N 3.45Å; F626-L629 VanDerWaalsContact O-N 3.12Å
627	L	90.7	Very high	90.1	Very high	59 Å²	59	34.4 Å²	34.4	31%	0.309	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-66.4	-13.4	175.9	-63.1	175.1	0	0	0	113.3	S624 L625 V636 Q640 L643	S624-L627 WeakPolarHBondContact O-CB 3.49Å; S624-L627 WeakPolarHBondContact O-CG 3.3Å; S624-L627 PolarHBondContact O-N 2.93Å; L625-L627 PolarHBondContact O-N 3.25Å; L627-V636 HydrophobicContact CB-CG1 4.3Å; L627-V636 WeakPolarHBondContact O-CG1 3.44Å; L627-Q640 HydrophobicContact CB-CB 4.02Å; L627-L643 HydrophobicContact CD1-CD1 3.58Å
628	F	88.1	Confident	89.9	Confident	20 Å²	20	39 Å²	39	9%	0.088	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-85.6	-7.7	175.6	-72.7	-103.5	0	0	0	113.1	L625 F626 Q640 L641 I644 H804 V805	L625-F628 PolarHBondContact O-N 3.35Å; F626-F628 PolarHBondContact O-N 2.83Å; F628-Q640 HydrophobicContact CD2-CB 4.4Å; F628-Q640 HydrophobicContact CE2-CB 3.88Å; F628-Q640 HydrophobicContact CZ-CB 4.19Å; F628-Q640 HydrophobicContact CZ-CG 4.33Å; F628-L641 HydrophobicContact CZ-CD2 3.91Å; F628-L641 HydrophobicContact CZ-CG 4.35Å; F628-I644 HydrophobicContact CD2-CD1 4.38Å; F628-I644 HydrophobicContact CE2-CD1 3.44Å; F628-I644 VanDerWaalsContact CE2-CD1 3.44Å; F628-I644 HydrophobicContact CZ-CD1 4.04Å; F628-H804 AromaticContact CZ-CD2 3.95Å; F628-V805 HydrophobicContact CB-CG2 3.82Å; F628-V805 HydrophobicContact CD1-CG2 3.83Å; F628-V805 HydrophobicContact CD2-CG2 4.06Å; F628-V805 HydrophobicContact CE1-CG2 4.43Å; F628-V805 HydrophobicContact CG-CG2 3.62Å
629	L	88.6	Confident	89.7	Confident	11 Å²	11	42.6 Å²	42.6	6%	0.058	22%	0.222	C	C	.	.	S	Bend	trans	-98.6	142.2	-179.1	-57.6	-177.6	0	0	0	111.4	L566 W568 A573 I576 I577 F626	L566-L629 HydrophobicContact CD2-CD2 3.64Å; L566-L629 HydrophobicContact CG-CD2 4.09Å; W568-L629 HydrophobicContact CD2-CB 4.17Å; W568-L629 HydrophobicContact CE3-CB 4.28Å; W568-L629 HydrophobicContact CE3-CD1 4.04Å; W568-L629 HydrophobicContact CH2-CB 4.09Å; W568-L629 HydrophobicContact CH2-CD1 4.34Å; W568-L629 HydrophobicContact CZ2-CB 3.97Å; W568-L629 HydrophobicContact CZ3-CB 4.24Å; W568-L629 HydrophobicContact CZ3-CD1 3.84Å; A573-L629 HydrophobicContact CB-CD1 4.49Å; A573-L629 HydrophobicContact CB-CD2 3.7Å; I576-L629 HydrophobicContact CD1-CD2 4.42Å; I577-L629 HydrophobicContact CD1-CD1 3.93Å; I577-L629 HydrophobicContact CG1-CD1 3.61Å; F626-L629 HydrophobicContact CD1-CD1 4.03Å; F626-L629 PolarHBondContact O-N 3.45Å; F626-L629 VanDerWaalsContact O-N 3.12Å
630	G	85.5	Confident	89.4	Confident	9 Å²	9	41.7 Å²	41.7	9%	0.093	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	88.6	-168.8	-179.6	0	0	0	0	0	113.9	L566 P632	L566-G630 PolarHBondContact O-N 3.45Å; G630-P632 WeakPolarHBondContact O-CD 3.39Å
631	E	84.4	Confident	89.3	Confident	131 Å²	131	41.4 Å²	41.4	61%	0.612	21%	0.214	S	C	*	.	S	Bend	trans	-75.3	122.7	177.7	-171.3	173	-178.7	0	0	109.9	I565 D633 K713	I565-E631 HydrophobicContact CD1-CB 4.01Å; I565-E631 HydrophobicContact CG2-CG 4.5Å; E631-D633 PolarHBondContact O-N 3.47Å; E631-K713 IonicContact OE1-NZ 3.97Å
632	P	86.5	Confident	89.3	Confident	18 Å²	18	41.7 Å²	41.7	12%	0.117	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-71.2	131.6	178.6	28.3	-32.9	0	0	0	110.2	G630 L709 L725	G630-P632 WeakPolarHBondContact O-CD 3.39Å; P632-L709 HydrophobicContact CB-CD2 4.33Å; P632-L709 HydrophobicContact CG-CD2 4.16Å; P632-L709 WeakPolarHBondContact O-CD2 3.5Å; P632-L725 HydrophobicContact CG-CD2 4.16Å; P632-L725 HydrophobicContact CG-CG 4.32Å
633	D	86	Confident	89.3	Confident	96 Å²	96	44.3 Å²	44.3	51%	0.513	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-100.2	165.1	169.5	-169.4	20.8	0	0	0	110.8	E631 V635 V636 C637	E631-D633 PolarHBondContact O-N 3.47Å; D633-V635 PolarHBondContact O-N 3.33Å; D633-V635 VanDerWaalsContact O-N 3.14Å; D633-V636 HydrophobicContact CB-CG2 4.14Å; D633-V636 PolarHBondContact O-N 2.83Å; D633-C637 PolarHBondContact O-N 3.09Å
634	D	87.4	Confident	89.3	Confident	41 Å²	41	39.8 Å²	39.8	22%	0.219	21%	0.206	C	C	.	.	H	α-helix	trans	-54.9	-33.7	177.7	-90.1	-29.3	0	0	0	112	R638 S708 L709 T710	D634-R638 VanDerWaalsContact O-CG 3.31Å; D634-R638 WeakPolarHBondContact O-CG 3.09Å; D634-S708 WeakPolarHBondContact OD1-CB 3.36Å; D634-L709 WeakPolarHBondContact OD1-CA 3.45Å; D634-L709 WeakPolarHBondContact OD1-CB 3.13Å; D634-L709 PolarHBondContact OD1-N 3.01Å; D634-T710 PolarHBondContact OD1-N 3.28Å; D634-T710 PolarHBondContact OD2-OG1 3.33Å
635	V	88.5	Confident	89.3	Confident	85 Å²	85	39.5 Å²	39.5	52%	0.515	20%	0.203	S	C	.	.	H	α-helix	trans	-73.3	-45.1	175.8	179.5	0	0	0	0	111.4	D633 C637 R638 L639	D633-V635 PolarHBondContact O-N 3.33Å; D633-V635 VanDerWaalsContact O-N 3.14Å; V635-C637 PolarHBondContact O-N 3.47Å; V635-R638 PolarHBondContact O-N 3.44Å; V635-L639 HydrophobicContact CG1-CD1 3.73Å; V635-L639 HydrophobicContact CG1-CG 4.43Å; V635-L639 WeakPolarHBondContact O-CG 3.29Å; V635-L639 PolarHBondContact O-N 2.86Å; V635-L639 VanDerWaalsContact O-N 3.12Å
636	V	89.9	Confident	89.4	Confident	36 Å²	36	42.4 Å²	42.4	22%	0.218	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-47.1	-179.1	177.1	0	0	0	0	110.2	L627 D633 R638 L639 Q640	L627-V636 HydrophobicContact CB-CG1 4.3Å; L627-V636 WeakPolarHBondContact O-CG1 3.44Å; D633-V636 HydrophobicContact CB-CG2 4.14Å; D633-V636 PolarHBondContact O-N 2.83Å; V636-R638 PolarHBondContact O-N 3.25Å; V636-L639 PolarHBondContact O-N 3.01Å; V636-L639 VanDerWaalsContact O-N 3.15Å; V636-Q640 WeakPolarHBondContact O-CB 3.49Å; V636-Q640 WeakPolarHBondContact O-CG 3.34Å; V636-Q640 PolarHBondContact O-N 3.38Å
637	C	88.8	Confident	89.6	Confident	15 Å²	15	43.3 Å²	43.3	10%	0.101	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-32.6	178.9	-72.5	0	0	0	0	113.5	D633 V635 C727	D633-C637 PolarHBondContact O-N 3.09Å; V635-C637 PolarHBondContact O-N 3.47Å; C637-C727 WeakPolarHBondContact CA-SG 3.45Å; C637-C727 HydrophobicContact CB-CB 3.67Å; C637-C727 WeakPolarHBondContact CB-SG 3.5Å; C637-C727 VanDerWaalsContact SG-CA 3.59Å; C637-C727 WeakPolarHBondContact SG-CB 3.36Å; C637-C727 CovalentContact SG-SG 2.04Å; C637-C727 PolarHBondContact SG-SG 2.83Å
638	R	88.9	Confident	89.7	Confident	102 Å²	102	40.6 Å²	40.6	39%	0.385	21%	0.208	S	C	.	.	H	α-helix	trans	-78.3	-29.5	178.2	-71.2	176.6	-167.7	-116.3	9.2	113.1	D634 V635 V636 P642 V703	D634-R638 VanDerWaalsContact O-CG 3.31Å; D634-R638 WeakPolarHBondContact O-CG 3.09Å; V635-R638 PolarHBondContact O-N 3.44Å; V636-R638 PolarHBondContact O-N 3.25Å; R638-P642 WeakPolarHBondContact O-CD 3.39Å; R638-P642 WeakPolarHBondContact O-CG 3.5Å; R638-V703 HydrophobicContact CB-CG1 4.21Å; R638-V703 HydrophobicContact CG-CG1 4.25Å; R638-V703 WeakPolarHBondContact O-CG2 3.43Å
639	L	89.2	Confident	90	Very high	78 Å²	78	39.7 Å²	39.7	41%	0.408	20%	0.204	S	C	.	.	H	α-helix	trans	-100.6	-28.3	-171.7	-67.4	179.6	0	0	0	114.6	V635 V636 L641 P642 L643	V635-L639 HydrophobicContact CG1-CD1 3.73Å; V635-L639 HydrophobicContact CG1-CG 4.43Å; V635-L639 WeakPolarHBondContact O-CG 3.29Å; V635-L639 PolarHBondContact O-N 2.86Å; V635-L639 VanDerWaalsContact O-N 3.12Å; V636-L639 PolarHBondContact O-N 3.01Å; V636-L639 VanDerWaalsContact O-N 3.15Å; L639-L641 PolarHBondContact O-N 3.16Å; L639-P642 WeakPolarHBondContact O-CD 3.15Å; L639-L643 HydrophobicContact CB-CD1 3.94Å; L639-L643 HydrophobicContact CB-CG 4.43Å; L639-L643 WeakPolarHBondContact O-CB 3.47Å; L639-L643 WeakPolarHBondContact O-CG 3.34Å; L639-L643 PolarHBondContact O-N 3.43Å
640	Q	89.3	Confident	90.4	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-53.1	-46.6	-171.1	57.9	173.8	-3.6	0	0	114.4	L627 F628 V636 I644 C727	L627-Q640 HydrophobicContact CB-CB 4.02Å; F628-Q640 HydrophobicContact CD2-CB 4.4Å; F628-Q640 HydrophobicContact CE2-CB 3.88Å; F628-Q640 HydrophobicContact CZ-CB 4.19Å; F628-Q640 HydrophobicContact CZ-CG 4.33Å; V636-Q640 WeakPolarHBondContact O-CB 3.49Å; V636-Q640 WeakPolarHBondContact O-CG 3.34Å; V636-Q640 PolarHBondContact O-N 3.38Å; Q640-I644 WeakPolarHBondContact O-CD1 3.48Å; Q640-I644 WeakPolarHBondContact O-CG1 3.46Å; Q640-C727 PolarHBondContact NE2-SG 3.38Å
641	L	90.4	Very high	90.8	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-82.5	-47.1	-178.2	-69.1	165.8	0	0	0	111.8	F628 L639 L643 I644 T645 F702 V729 L734 M737 H804	F628-L641 HydrophobicContact CZ-CD2 3.91Å; F628-L641 HydrophobicContact CZ-CG 4.35Å; L639-L641 PolarHBondContact O-N 3.16Å; L641-L643 VanDerWaalsContact C-N 3.32Å; L641-L643 PolarHBondContact O-N 3.38Å; L641-I644 PolarHBondContact O-N 3.13Å; L641-T645 PolarHBondContact O-N 2.91Å; L641-T645 VanDerWaalsContact O-N 3.1Å; L641-T645 PolarHBondContact O-OG1 3.37Å; L641-T645 VanDerWaalsContact O-OG1 3.09Å; L641-F702 HydrophobicContact CD1-CE1 4.39Å; L641-F702 HydrophobicContact CD1-CZ 3.83Å; L641-V729 HydrophobicContact CD1-CG1 4.01Å; L641-V729 HydrophobicContact CD1-CG2 3.76Å; L641-L734 HydrophobicContact CD1-CD1 4.2Å; L641-L734 HydrophobicContact CD2-CD1 4.17Å; L641-M737 HydrophobicContact CB-CE 3.68Å; L641-H804 WeakPolarHBondContact CD2-NE2 3.33Å
642	P	92.5	Very high	91.2	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.045	18%	0.178	C	C	.	.	H	α-helix	trans	-54.7	-41.5	176.1	-33.5	40.5	0	0	0	115	R638 L639 T645 I646 C699 F702 V703 M737	R638-P642 WeakPolarHBondContact O-CD 3.39Å; R638-P642 WeakPolarHBondContact O-CG 3.5Å; L639-P642 WeakPolarHBondContact O-CD 3.15Å; P642-T645 PolarHBondContact O-N 3Å; P642-I646 WeakPolarHBondContact O-CB 3.29Å; P642-I646 WeakPolarHBondContact O-CD1 3.35Å; P642-I646 WeakPolarHBondContact O-CG1 3.46Å; P642-I646 PolarHBondContact O-N 3.08Å; P642-C699 HydrophobicContact CB-CB 3.98Å; P642-C699 HydrophobicContact CG-CB 4.47Å; P642-F702 HydrophobicContact CG-CD1 4.05Å; P642-F702 HydrophobicContact CG-CE1 4.48Å; P642-V703 HydrophobicContact CG-CG2 4Å; P642-M737 HydrophobicContact CG-SD 4.37Å
643	L	92.6	Very high	91.6	Very high	56 Å²	56	33.3 Å²	33.3	29%	0.293	17%	0.172	S	C	.	.	H	α-helix	trans	-63.3	-47.5	-179.3	-75.7	171.8	0	0	0	111.6	L627 L639 L641 T645 I646 F647	L627-L643 HydrophobicContact CD1-CD1 3.58Å; L639-L643 HydrophobicContact CB-CD1 3.94Å; L639-L643 HydrophobicContact CB-CG 4.43Å; L639-L643 WeakPolarHBondContact O-CB 3.47Å; L639-L643 WeakPolarHBondContact O-CG 3.34Å; L639-L643 PolarHBondContact O-N 3.43Å; L641-L643 VanDerWaalsContact C-N 3.32Å; L641-L643 PolarHBondContact O-N 3.38Å; L643-T645 VanDerWaalsContact C-N 3.32Å; L643-T645 PolarHBondContact O-N 2.76Å; L643-I646 PolarHBondContact O-N 2.76Å; L643-F647 HydrophobicContact CD2-CE2 4.4Å; L643-F647 WeakPolarHBondContact O-CD2 3.3Å; L643-F647 PolarHBondContact O-N 3.01Å; L643-F647 VanDerWaalsContact O-N 3.11Å
644	I	92	Very high	91.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.5	-50.7	175.7	-70.7	170.1	0	0	0	110	S624 L625 F628 Q640 L641 I646 F647 Q648 T808	S624-I644 WeakPolarHBondContact OG-CG1 3.33Å; L625-I644 HydrophobicContact CD2-CD1 3.68Å; L625-I644 HydrophobicContact CD2-CG1 4.44Å; F628-I644 HydrophobicContact CD2-CD1 4.38Å; F628-I644 HydrophobicContact CE2-CD1 3.44Å; F628-I644 VanDerWaalsContact CE2-CD1 3.44Å; F628-I644 HydrophobicContact CZ-CD1 4.04Å; Q640-I644 WeakPolarHBondContact O-CD1 3.48Å; Q640-I644 WeakPolarHBondContact O-CG1 3.46Å; L641-I644 PolarHBondContact O-N 3.13Å; I644-I646 PolarHBondContact O-N 2.96Å; I644-F647 PolarHBondContact O-N 2.84Å; I644-Q648 WeakPolarHBondContact O-CG 3.45Å; I644-Q648 PolarHBondContact O-N 2.84Å; I644-Q648 VanDerWaalsContact O-N 3.1Å; I644-T808 HydrophobicContact CG2-CG2 3.59Å
645	T	92.9	Very high	92.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-43	-174	-50.6	0	0	0	0	111.6	L641 P642 L643 F647 Q648 T649 Q695 M737 Q738 N741	L641-T645 PolarHBondContact O-N 2.91Å; L641-T645 VanDerWaalsContact O-N 3.1Å; L641-T645 PolarHBondContact O-OG1 3.37Å; L641-T645 VanDerWaalsContact O-OG1 3.09Å; P642-T645 PolarHBondContact O-N 3Å; L643-T645 VanDerWaalsContact C-N 3.32Å; L643-T645 PolarHBondContact O-N 2.76Å; T645-F647 PolarHBondContact O-N 3.01Å; T645-Q648 PolarHBondContact O-N 2.92Å; T645-T649 PolarHBondContact O-N 2.71Å; T645-T649 PolarHBondContact O-OG1 2.8Å; T645-Q695 HydrophobicContact CG2-CG 4.46Å; T645-M737 HydrophobicContact CG2-CG 4.08Å; T645-Q738 PolarHBondContact OG1-OE1 3.44Å; T645-N741 WeakPolarHBondContact CG2-ND2 3.36Å; T645-N741 PolarHBondContact O-ND2 3.49Å
646	I	94.1	Very high	92.3	Very high	62 Å²	62	23.4 Å²	23.4	32%	0.318	12%	0.116	S	C	.	.	H	α-helix	trans	-60.8	-46.3	178	-71.1	166.4	0	0	0	111.2	P642 L643 I644 Q648 T649 V650 Q695 C699	P642-I646 WeakPolarHBondContact O-CB 3.29Å; P642-I646 WeakPolarHBondContact O-CD1 3.35Å; P642-I646 WeakPolarHBondContact O-CG1 3.46Å; P642-I646 PolarHBondContact O-N 3.08Å; L643-I646 PolarHBondContact O-N 2.76Å; I644-I646 PolarHBondContact O-N 2.96Å; I646-Q648 VanDerWaalsContact C-N 3.3Å; I646-Q648 PolarHBondContact O-N 3.39Å; I646-T649 WeakPolarHBondContact O-CB 3.44Å; I646-T649 PolarHBondContact O-N 3.15Å; I646-T649 VanDerWaalsContact O-N 3.15Å; I646-V650 WeakPolarHBondContact O-CG2 3.44Å; I646-V650 PolarHBondContact O-N 2.74Å; I646-V650 VanDerWaalsContact O-N 3.07Å; I646-Q695 HydrophobicContact CG1-CG 4.29Å; I646-C699 HydrophobicContact CD1-CB 4.33Å
647	F	95.4	Very high	92.3	Very high	69 Å²	69	22 Å²	22	30%	0.303	11%	0.108	S	C	.	.	H	α-helix	trans	-62.2	-37.8	178.8	-80.4	-52.6	0	0	0	112.6	S617 G620 L643 I644 T645 A651	S617-F647 VanDerWaalsContact CB-O 3.32Å; S617-F647 WeakPolarHBondContact CB-O 3.45Å; S617-F647 WeakPolarHBondContact O-CB 3.38Å; S617-F647 PolarHBondContact OG-O 2.8Å; S617-F647 VanDerWaalsContact OG-O 3.11Å; G620-F647 WeakPolarHBondContact O-CD2 3.45Å; L643-F647 HydrophobicContact CD2-CE2 4.4Å; L643-F647 WeakPolarHBondContact O-CD2 3.3Å; L643-F647 PolarHBondContact O-N 3.01Å; L643-F647 VanDerWaalsContact O-N 3.11Å; I644-F647 PolarHBondContact O-N 2.84Å; T645-F647 PolarHBondContact O-N 3.01Å; F647-A651 PolarHBondContact O-N 3.5Å
648	Q	93.1	Very high	92.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-68.6	-37.7	173	-73.7	-178.5	-23.2	0	0	112.6	I644 T645 I646 V650 A651 L652 N741 Y775 N812	I644-Q648 WeakPolarHBondContact O-CG 3.45Å; I644-Q648 PolarHBondContact O-N 2.84Å; I644-Q648 VanDerWaalsContact O-N 3.1Å; T645-Q648 PolarHBondContact O-N 2.92Å; I646-Q648 VanDerWaalsContact C-N 3.3Å; I646-Q648 PolarHBondContact O-N 3.39Å; Q648-V650 VanDerWaalsContact C-N 3.33Å; Q648-V650 PolarHBondContact O-N 3.09Å; Q648-A651 PolarHBondContact O-N 3.24Å; Q648-L652 WeakPolarHBondContact O-CB 3.46Å; Q648-L652 WeakPolarHBondContact O-CG 3.35Å; Q648-L652 PolarHBondContact O-N 2.97Å; Q648-N741 WeakPolarHBondContact CB-ND2 3.45Å; Q648-Y775 PolarHBondContact OE1-OH 3.33Å; Q648-N812 PolarHBondContact NE2-OD1 3.47Å; Q648-N812 VanDerWaalsContact NE2-OD1 3.16Å
649	T	94.9	Very high	92.2	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-41.8	176.4	-57.8	0	0	0	0	111.5	T645 I646 A651 L652 S653 Q695 N741 M744	T645-T649 PolarHBondContact O-N 2.71Å; T645-T649 PolarHBondContact O-OG1 2.8Å; I646-T649 WeakPolarHBondContact O-CB 3.44Å; I646-T649 PolarHBondContact O-N 3.15Å; I646-T649 VanDerWaalsContact O-N 3.15Å; T649-A651 VanDerWaalsContact C-N 3.34Å; T649-A651 PolarHBondContact O-N 3.33Å; T649-L652 PolarHBondContact O-N 2.78Å; T649-S653 WeakPolarHBondContact O-CB 3.4Å; T649-S653 PolarHBondContact O-N 2.66Å; T649-S653 PolarHBondContact O-OG 3.18Å; T649-Q695 HydrophobicContact CG2-CB 3.66Å; T649-Q695 HydrophobicContact CG2-CG 4.04Å; T649-Q695 VanDerWaalsContact OG1-CG 3.24Å; T649-Q695 WeakPolarHBondContact OG1-CG 3.47Å; T649-N741 VanDerWaalsContact CA-OD1 3.25Å; T649-N741 WeakPolarHBondContact CA-OD1 3.34Å; T649-N741 WeakPolarHBondContact CB-OD1 3.09Å; T649-N741 PolarHBondContact OG1-ND2 3.06Å; T649-N741 PolarHBondContact OG1-OD1 2.95Å; T649-M744 HydrophobicContact CG2-CE 3.7Å
650	V	95	Very high	92.1	Very high	35 Å²	35	15.9 Å²	15.9	21%	0.212	8%	0.082	C	C	.	.	H	α-helix	trans	-59.3	-46.6	175.6	175.3	0	0	0	0	110.6	I646 Q648 S653 I654	I646-V650 WeakPolarHBondContact O-CG2 3.44Å; I646-V650 PolarHBondContact O-N 2.74Å; I646-V650 VanDerWaalsContact O-N 3.07Å; Q648-V650 VanDerWaalsContact C-N 3.33Å; Q648-V650 PolarHBondContact O-N 3.09Å; V650-S653 PolarHBondContact O-OG 3.38Å; V650-S653 VanDerWaalsContact O-OG 3.08Å; V650-I654 HydrophobicContact CG1-CD1 4.15Å; V650-I654 WeakPolarHBondContact O-CD1 3.34Å; V650-I654 VanDerWaalsContact O-CG1 3.32Å; V650-I654 WeakPolarHBondContact O-CG1 3.48Å; V650-I654 PolarHBondContact O-N 3.45Å
651	A	93.9	Very high	91.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.6	-49.8	178.7	0	0	0	0	0	112.3	V614 S617 L618 F647 Q648 T649 I654 I655	V614-A651 HydrophobicContact CG1-CB 4.05Å; S617-A651 WeakPolarHBondContact OG-CB 3.33Å; S617-A651 PolarHBondContact OG-N 2.72Å; L618-A651 HydrophobicContact CD2-CB 3.84Å; L618-A651 HydrophobicContact CG-CB 3.99Å; F647-A651 PolarHBondContact O-N 3.5Å; Q648-A651 PolarHBondContact O-N 3.24Å; T649-A651 VanDerWaalsContact C-N 3.34Å; T649-A651 PolarHBondContact O-N 3.33Å; A651-I654 PolarHBondContact O-N 2.86Å; A651-I655 WeakPolarHBondContact O-CG1 3.47Å; A651-I655 PolarHBondContact O-N 3.36Å; A651-I655 VanDerWaalsContact O-N 3.08Å
652	L	93.9	Very high	91.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-73	-33	-174.9	-70.6	170.3	0	0	0	113.1	Q648 T649 I654 I655 L656 N741 M744 A745 Y775 L815	Q648-L652 WeakPolarHBondContact O-CB 3.46Å; Q648-L652 WeakPolarHBondContact O-CG 3.35Å; Q648-L652 PolarHBondContact O-N 2.97Å; T649-L652 PolarHBondContact O-N 2.78Å; L652-I654 VanDerWaalsContact C-N 3.35Å; L652-I655 PolarHBondContact O-N 3.18Å; L652-L656 WeakPolarHBondContact O-CB 3.47Å; L652-L656 PolarHBondContact O-N 2.71Å; L652-N741 HydrophobicContact CD1-CB 3.78Å; L652-N741 WeakPolarHBondContact CD1-O 3.48Å; L652-M744 HydrophobicContact CB-CB 4.35Å; L652-M744 HydrophobicContact CB-CE 4.22Å; L652-A745 HydrophobicContact CD2-CB 4.1Å; L652-Y775 HydrophobicContact CD1-CD1 4.41Å; L652-Y775 HydrophobicContact CD1-CE1 3.68Å; L652-Y775 HydrophobicContact CD1-CE2 4.33Å; L652-L815 HydrophobicContact CD2-CD1 4.25Å; L652-L815 HydrophobicContact CD2-CD2 4.24Å
653	S	94.7	Very high	91	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.4	-35.8	175.5	59.5	0	0	0	0	112.2	T649 V650 S657	T649-S653 WeakPolarHBondContact O-CB 3.4Å; T649-S653 PolarHBondContact O-N 2.66Å; T649-S653 PolarHBondContact O-OG 3.18Å; V650-S653 PolarHBondContact O-OG 3.38Å; V650-S653 VanDerWaalsContact O-OG 3.08Å; S653-S657 WeakPolarHBondContact O-CB 3.17Å; S653-S657 PolarHBondContact O-N 3.49Å
654	I	92.4	Very high	90.4	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-67.9	-47	172.7	-66.3	167.2	0	0	0	110.4	L610 L613 V614 V650 A651 L652 L656 S657 I658 V688	L610-I654 HydrophobicContact CB-CG2 3.85Å; L613-I654 HydrophobicContact CB-CD1 3.96Å; V614-I654 HydrophobicContact CG2-CB 3.64Å; V614-I654 HydrophobicContact CG2-CD1 3.69Å; V614-I654 HydrophobicContact CG2-CG1 4.26Å; V614-I654 HydrophobicContact CG2-CG2 3.49Å; V614-I654 VanDerWaalsContact CG2-CG2 3.49Å; V650-I654 HydrophobicContact CG1-CD1 4.15Å; V650-I654 WeakPolarHBondContact O-CD1 3.34Å; V650-I654 VanDerWaalsContact O-CG1 3.32Å; V650-I654 WeakPolarHBondContact O-CG1 3.48Å; V650-I654 PolarHBondContact O-N 3.45Å; A651-I654 PolarHBondContact O-N 2.86Å; L652-I654 VanDerWaalsContact C-N 3.35Å; I654-L656 VanDerWaalsContact C-N 3.3Å; I654-L656 PolarHBondContact O-N 2.91Å; I654-S657 WeakPolarHBondContact O-CB 3.45Å; I654-S657 PolarHBondContact O-N 2.95Å; I654-I658 HydrophobicContact CG2-CD1 4.08Å; I654-I658 WeakPolarHBondContact O-CG1 3.41Å; I654-I658 PolarHBondContact O-N 2.93Å; I654-V688 HydrophobicContact CG1-CG1 4.32Å; I654-V688 HydrophobicContact CG1-CG2 3.69Å
655	I	91.9	Very high	89.7	Confident	3 Å²	3	20.6 Å²	20.6	2%	0.015	10%	0.104	C	C	.	.	H	α-helix	trans	-58.1	-45.4	176	-68.5	167.9	0	0	0	110.2	A651 L652 S657 I658 S659 I768 T772 L815	A651-I655 WeakPolarHBondContact O-CG1 3.47Å; A651-I655 PolarHBondContact O-N 3.36Å; A651-I655 VanDerWaalsContact O-N 3.08Å; L652-I655 PolarHBondContact O-N 3.18Å; I655-S657 PolarHBondContact O-N 3.19Å; I655-I658 PolarHBondContact O-N 2.9Å; I655-S659 PolarHBondContact O-N 3.2Å; I655-S659 PolarHBondContact O-OG 3.12Å; I655-S659 VanDerWaalsContact O-OG 3.11Å; I655-I768 HydrophobicContact CG2-CG2 3.83Å; I655-T772 HydrophobicContact CG2-CG2 3.82Å; I655-L815 HydrophobicContact CD1-CD2 4.2Å
656	L	92.1	Very high	88.9	Confident	10 Å²	10	22.2 Å²	22.2	5%	0.052	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-41.7	176.7	178.5	59.1	0	0	0	112.2	L652 I654 I658 S659 L660 F687 M744 V747 S748	L652-L656 WeakPolarHBondContact O-CB 3.47Å; L652-L656 PolarHBondContact O-N 2.71Å; I654-L656 VanDerWaalsContact C-N 3.3Å; I654-L656 PolarHBondContact O-N 2.91Å; L656-I658 VanDerWaalsContact C-N 3.31Å; L656-I658 PolarHBondContact O-N 3.34Å; L656-S659 WeakPolarHBondContact O-CB 3.46Å; L656-S659 PolarHBondContact O-N 3.3Å; L656-L660 HydrophobicContact CD1-CD1 4.12Å; L656-L660 HydrophobicContact CD1-CG 4.03Å; L656-L660 HydrophobicContact CG-CD1 4.08Å; L656-L660 HydrophobicContact CG-CG 4.42Å; L656-L660 WeakPolarHBondContact O-CB 3.41Å; L656-L660 WeakPolarHBondContact O-CG 3.31Å; L656-L660 PolarHBondContact O-N 2.87Å; L656-F687 HydrophobicContact CB-CE1 4.39Å; L656-F687 HydrophobicContact CD2-CE1 3.97Å; L656-F687 HydrophobicContact CD2-CZ 3.77Å; L656-F687 HydrophobicContact CG-CE1 3.99Å; L656-F687 HydrophobicContact CG-CZ 4.06Å; L656-M744 HydrophobicContact CD2-CB 4.07Å; L656-M744 HydrophobicContact CD2-CG 3.9Å; L656-V747 HydrophobicContact CD1-CB 3.98Å; L656-V747 HydrophobicContact CD1-CG1 3.67Å; L656-S748 WeakPolarHBondContact CA-OG 3.5Å; L656-S748 VanDerWaalsContact CB-OG 3.28Å; L656-S748 WeakPolarHBondContact CB-OG 3.42Å; L656-S748 WeakPolarHBondContact CD1-OG 3.14Å
657	S	90.4	Very high	88.2	Confident	7 Å²	7	24 Å²	24	5%	0.049	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-44.1	175.8	-168.8	0	0	0	0	111.1	S653 I654 I655 Q661 S684	S653-S657 WeakPolarHBondContact O-CB 3.17Å; S653-S657 PolarHBondContact O-N 3.49Å; I654-S657 WeakPolarHBondContact O-CB 3.45Å; I654-S657 PolarHBondContact O-N 2.95Å; I655-S657 PolarHBondContact O-N 3.19Å; S657-Q661 VanDerWaalsContact O-CG 3.25Å; S657-Q661 WeakPolarHBondContact O-CG 3.21Å; S657-Q661 PolarHBondContact O-N 3.11Å; S657-S684 WeakPolarHBondContact OG-CB 3.48Å; S657-S684 PolarHBondContact OG-OG 2.96Å
658	I	87.1	Confident	87.4	Confident	12 Å²	12	25.3 Å²	25.3	6%	0.062	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-43.7	175.8	-63.3	167.8	0	0	0	110.7	I654 I655 L656 L660 Q661 I662 I768	I654-I658 HydrophobicContact CG2-CD1 4.08Å; I654-I658 WeakPolarHBondContact O-CG1 3.41Å; I654-I658 PolarHBondContact O-N 2.93Å; I655-I658 PolarHBondContact O-N 2.9Å; L656-I658 VanDerWaalsContact C-N 3.31Å; L656-I658 PolarHBondContact O-N 3.34Å; I658-L660 PolarHBondContact O-N 3.4Å; I658-Q661 WeakPolarHBondContact O-CB 3.22Å; I658-Q661 PolarHBondContact O-N 3.05Å; I658-I662 HydrophobicContact CG2-CD1 4.03Å; I658-I662 WeakPolarHBondContact O-CG1 3.38Å; I658-I662 PolarHBondContact O-N 3.14Å; I658-I768 HydrophobicContact CG2-CD1 3.84Å
659	S	88.9	Confident	86.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-46.2	176.5	-68.6	0	0	0	0	112.7	I655 L656 Q661 I662 F663 T752 I768	I655-S659 PolarHBondContact O-N 3.2Å; I655-S659 PolarHBondContact O-OG 3.12Å; I655-S659 VanDerWaalsContact O-OG 3.11Å; L656-S659 WeakPolarHBondContact O-CB 3.46Å; L656-S659 PolarHBondContact O-N 3.3Å; S659-Q661 VanDerWaalsContact C-N 3.35Å; S659-I662 PolarHBondContact O-N 3.28Å; S659-F663 PolarHBondContact O-N 3.19Å; S659-T752 WeakPolarHBondContact OG-CG2 3.43Å; S659-I768 VanDerWaalsContact OG-CG2 3.3Å; S659-I768 WeakPolarHBondContact OG-CG2 3.41Å
660	L	87.3	Confident	85.1	Confident	53 Å²	53	36.3 Å²	36.3	28%	0.277	18%	0.177	S	C	.	.	H	α-helix	trans	-66.1	-38.4	178.2	-71.9	172.6	0	0	0	111.3	L656 I658 F663 L664 F687	L656-L660 HydrophobicContact CD1-CD1 4.12Å; L656-L660 HydrophobicContact CD1-CG 4.03Å; L656-L660 HydrophobicContact CG-CD1 4.08Å; L656-L660 HydrophobicContact CG-CG 4.42Å; L656-L660 WeakPolarHBondContact O-CB 3.41Å; L656-L660 WeakPolarHBondContact O-CG 3.31Å; L656-L660 PolarHBondContact O-N 2.87Å; I658-L660 PolarHBondContact O-N 3.4Å; L660-F663 PolarHBondContact O-N 3.38Å; L660-L664 WeakPolarHBondContact O-CB 3.12Å; L660-L664 WeakPolarHBondContact O-CG 3.42Å; L660-L664 PolarHBondContact O-N 2.8Å; L660-F687 HydrophobicContact CD1-CE1 4.43Å; L660-F687 HydrophobicContact CD1-CE2 4.28Å; L660-F687 HydrophobicContact CD1-CZ 3.89Å
661	Q	84	Confident	83.9	Confident	35 Å²	35	42.4 Å²	42.4	16%	0.164	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-44.6	173.6	-73.6	171	17.9	0	0	111.5	S657 I658 S659 L664 V665 L679	S657-Q661 VanDerWaalsContact O-CG 3.25Å; S657-Q661 WeakPolarHBondContact O-CG 3.21Å; S657-Q661 PolarHBondContact O-N 3.11Å; I658-Q661 WeakPolarHBondContact O-CB 3.22Å; I658-Q661 PolarHBondContact O-N 3.05Å; S659-Q661 VanDerWaalsContact C-N 3.35Å; Q661-L664 PolarHBondContact O-N 3.48Å; Q661-V665 WeakPolarHBondContact O-CB 3.4Å; Q661-V665 VanDerWaalsContact O-CG2 3.28Å; Q661-V665 WeakPolarHBondContact O-CG2 3.46Å; Q661-V665 PolarHBondContact O-N 2.65Å; Q661-L679 PolarHBondContact NE2-O 3.23Å; Q661-L679 VanDerWaalsContact NE2-O 3.11Å
662	I	80.8	Confident	82.9	Confident	13 Å²	13	43 Å²	43	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-50.7	176.8	-69	167.6	0	0	0	110.1	I658 S659 L664 V665 T666 A755 L764 A765 I768 F842	I658-I662 HydrophobicContact CG2-CD1 4.03Å; I658-I662 WeakPolarHBondContact O-CG1 3.38Å; I658-I662 PolarHBondContact O-N 3.14Å; S659-I662 PolarHBondContact O-N 3.28Å; I662-L664 PolarHBondContact O-N 2.9Å; I662-V665 PolarHBondContact O-N 2.91Å; I662-T666 HydrophobicContact CG2-CG2 4.48Å; I662-T666 WeakPolarHBondContact O-CG2 3.23Å; I662-T666 PolarHBondContact O-N 3.19Å; I662-T666 PolarHBondContact O-OG1 3.37Å; I662-T666 VanDerWaalsContact O-OG1 3.08Å; I662-A755 HydrophobicContact CG2-CB 4.05Å; I662-L764 HydrophobicContact CD1-CD2 4.33Å; I662-L764 HydrophobicContact CD1-CG 4.42Å; I662-A765 HydrophobicContact CG2-CB 4.14Å; I662-I768 HydrophobicContact CD1-CD1 3.58Å; I662-F842 HydrophobicContact CD1-CE1 4.49Å; I662-F842 HydrophobicContact CG1-CD1 4.43Å; I662-F842 HydrophobicContact CG1-CE1 4.26Å
663	F	83.6	Confident	81.6	Confident	58 Å²	58	46 Å²	46	25%	0.254	23%	0.229	S	C	.	.	H	α-helix	trans	-58.1	-45.1	178.8	175	-101.4	0	0	0	112.7	S659 L660 V665 T666 E667 F668	S659-F663 PolarHBondContact O-N 3.19Å; L660-F663 PolarHBondContact O-N 3.38Å; F663-V665 PolarHBondContact O-N 3.48Å; F663-T666 WeakPolarHBondContact CA-OG1 3.46Å; F663-T666 PolarHBondContact O-N 3.42Å; F663-T666 PolarHBondContact O-OG1 3.44Å; F663-E667 HydrophobicContact CD2-CG 4.09Å; F663-E667 HydrophobicContact CE2-CG 3.67Å; F663-E667 HydrophobicContact CZ-CG 4.04Å; F663-E667 WeakPolarHBondContact O-CB 3.49Å; F663-E667 PolarHBondContact O-N 2.99Å; F663-F668 HydrophobicContact CE1-CE2 4.34Å
664	L	80.3	Confident	80.5	Confident	58 Å²	58	50.7 Å²	50.7	30%	0.304	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-38.5	179.8	-73.4	173.2	0	0	0	112.3	L660 Q661 I662 F668 V672	L660-L664 WeakPolarHBondContact O-CB 3.12Å; L660-L664 WeakPolarHBondContact O-CG 3.42Å; L660-L664 PolarHBondContact O-N 2.8Å; Q661-L664 PolarHBondContact O-N 3.48Å; I662-L664 PolarHBondContact O-N 2.9Å; L664-F668 HydrophobicContact CD2-CD2 4.25Å; L664-F668 CarbonylContact O-C 3.43Å; L664-F668 WeakPolarHBondContact O-CA 3.25Å; L664-F668 PolarHBondContact O-N 2.78Å; L664-V672 HydrophobicContact CB-CG2 4.01Å
665	V	77.9	Confident	79.7	Confident	13 Å²	13	56.1 Å²	56.1	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-70.6	-35.6	177.6	171.3	0	0	0	0	111.5	Q661 I662 F663 P669 V672 L676	Q661-V665 WeakPolarHBondContact O-CB 3.4Å; Q661-V665 VanDerWaalsContact O-CG2 3.28Å; Q661-V665 WeakPolarHBondContact O-CG2 3.46Å; Q661-V665 PolarHBondContact O-N 2.65Å; I662-V665 PolarHBondContact O-N 2.91Å; F663-V665 PolarHBondContact O-N 3.48Å; V665-P669 WeakPolarHBondContact O-CB 3.33Å; V665-V672 HydrophobicContact CG2-CG1 4.03Å; V665-L676 HydrophobicContact CG2-CD1 3.65Å
666	T	74.9	Confident	78.8	Confident	34 Å²	34	56.6 Å²	56.6	21%	0.209	29%	0.287	C	S	.	.	H	α-helix	trans	-76.6	-43.7	-179.9	53.4	0	0	0	0	113.2	I662 F663	I662-T666 HydrophobicContact CG2-CG2 4.48Å; I662-T666 WeakPolarHBondContact O-CG2 3.23Å; I662-T666 PolarHBondContact O-N 3.19Å; I662-T666 PolarHBondContact O-OG1 3.37Å; I662-T666 VanDerWaalsContact O-OG1 3.08Å; F663-T666 WeakPolarHBondContact CA-OG1 3.46Å; F663-T666 PolarHBondContact O-N 3.42Å; F663-T666 PolarHBondContact O-OG1 3.44Å
667	E	78.8	Confident	77.8	Confident	98 Å²	98	66.9 Å²	66.9	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-88.5	-32.6	-175.7	-72.3	-64	153.1	0	0	113.2	F663 P669	F663-E667 HydrophobicContact CD2-CG 4.09Å; F663-E667 HydrophobicContact CE2-CG 3.67Å; F663-E667 HydrophobicContact CZ-CG 4.04Å; F663-E667 WeakPolarHBondContact O-CB 3.49Å; F663-E667 PolarHBondContact O-N 2.99Å; E667-P669 WeakPolarHBondContact O-CD 3.4Å
668	F	80.1	Confident	77.2	Confident	97 Å²	97	70.3 Å²	70.3	43%	0.425	35%	0.346	S	S	.	.			trans	-127.2	48.8	-173.7	-56	-72.9	0	0	0	114.3	F663 L664 K670 K671 V672	F663-F668 HydrophobicContact CE1-CE2 4.34Å; L664-F668 HydrophobicContact CD2-CD2 4.25Å; L664-F668 CarbonylContact O-C 3.43Å; L664-F668 WeakPolarHBondContact O-CA 3.25Å; L664-F668 PolarHBondContact O-N 2.78Å; F668-K670 VanDerWaalsContact C-N 3.3Å; F668-K670 PolarHBondContact O-N 3.43Å; F668-K670 VanDerWaalsContact O-N 3.15Å; F668-K671 PolarHBondContact O-N 2.96Å; F668-K671 VanDerWaalsContact O-N 3.13Å; F668-V672 HydrophobicContact CB-CG2 4.18Å; F668-V672 VanDerWaalsContact O-CG2 3.3Å; F668-V672 WeakPolarHBondContact O-CG2 3.45Å; F668-V672 PolarHBondContact O-N 3.34Å
669	P	70.5	Confident	76.6	Confident	32 Å²	32	72.5 Å²	72.5	21%	0.208	36%	0.358	C	S	.	.	H	α-helix	trans	-57.5	-39.3	-171.4	21.7	-33.1	0	0	0	113.3	V665 E667 K671 V672 A673 P847	V665-P669 WeakPolarHBondContact O-CB 3.33Å; E667-P669 WeakPolarHBondContact O-CD 3.4Å; P669-K671 PolarHBondContact O-N 3.01Å; P669-V672 PolarHBondContact O-N 3.34Å; P669-A673 WeakPolarHBondContact O-CB 3.33Å; P669-A673 PolarHBondContact O-N 3.17Å; P669-A673 VanDerWaalsContact O-N 3.15Å; P669-P847 HydrophobicContact CB-CB 3.99Å; P669-P847 HydrophobicContact CB-CG 4.14Å; P669-P847 HydrophobicContact CG-CB 4.17Å; P669-P847 HydrophobicContact CG-CG 4.49Å
670	K	68.4	Low	75.8	Confident	202 Å²	202	76 Å²	76	88%	0.878	37%	0.374	S	S	*	.	H	α-helix	trans	-69	-29.9	-177.5	-64.8	-177	-179.4	178.8	0	114.1	F668	F668-K670 VanDerWaalsContact C-N 3.3Å; F668-K670 PolarHBondContact O-N 3.43Å; F668-K670 VanDerWaalsContact O-N 3.15Å
671	K	70.6	Confident	75.4	Confident	163 Å²	163	74.7 Å²	74.7	71%	0.709	37%	0.374	S	S	*	.	H	α-helix	trans	-85.8	-26.8	179	-74.9	-176.4	177.9	178.2	0	112.2	F668 P669	F668-K671 PolarHBondContact O-N 2.96Å; F668-K671 VanDerWaalsContact O-N 3.13Å; P669-K671 PolarHBondContact O-N 3.01Å
672	V	71.8	Confident	75.3	Confident	14 Å²	14	77.4 Å²	77.4	9%	0.085	39%	0.394	C	S	.	.	H	α-helix	trans	-94.7	-31.8	-168.7	176	0	0	0	0	112.6	L664 V665 F668 P669 P674 H675 L676 L679	L664-V672 HydrophobicContact CB-CG2 4.01Å; V665-V672 HydrophobicContact CG2-CG1 4.03Å; F668-V672 HydrophobicContact CB-CG2 4.18Å; F668-V672 VanDerWaalsContact O-CG2 3.3Å; F668-V672 WeakPolarHBondContact O-CG2 3.45Å; F668-V672 PolarHBondContact O-N 3.34Å; P669-V672 PolarHBondContact O-N 3.34Å; V672-P674 VanDerWaalsContact C-CD 3.47Å; V672-H675 CarbonylContact O-C 3.6Å; V672-H675 PolarHBondContact O-N 3.34Å; V672-L676 HydrophobicContact CG1-CD1 4.1Å; V672-L676 PolarHBondContact O-N 2.71Å; V672-L679 HydrophobicContact CG1-CD1 3.93Å
673	A	67.6	Low	75.4	Confident	62 Å²	62	78.1 Å²	78.1	51%	0.512	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-46.1	-46	179.2	0	0	0	0	0	115.5	P669 H675	P669-A673 WeakPolarHBondContact O-CB 3.33Å; P669-A673 PolarHBondContact O-N 3.17Å; P669-A673 VanDerWaalsContact O-N 3.15Å; A673-H675 VanDerWaalsContact C-N 3.32Å; A673-H675 PolarHBondContact O-N 2.94Å
674	P	72.3	Confident	75.5	Confident	98 Å²	98	75.4 Å²	75.4	64%	0.636	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-72.2	-21.9	178.8	27.6	-34.6	0	0	0	114.2	V672	V672-P674 VanDerWaalsContact C-CD 3.47Å
675	H	75.8	Confident	75.8	Confident	116 Å²	116	78.4 Å²	78.4	54%	0.537	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-103.9	-1.7	-177.1	-66.6	-66	0	0	0	113.8	V672 A673 R677 T678 L679	V672-H675 CarbonylContact O-C 3.6Å; V672-H675 PolarHBondContact O-N 3.34Å; A673-H675 VanDerWaalsContact C-N 3.32Å; A673-H675 PolarHBondContact O-N 2.94Å; H675-R677 PolarHBondContact O-N 3.36Å; H675-T678 WeakPolarHBondContact O-CB 3.4Å; H675-T678 PolarHBondContact O-N 2.74Å; H675-L679 HydrophobicContact CB-CD1 4.23Å; H675-L679 PolarHBondContact O-N 2.93Å
676	L	71.5	Confident	76.4	Confident	13 Å²	13	82.8 Å²	82.8	7%	0.068	42%	0.423	C	S	.	.	H	α-helix	trans	-57.3	-43.8	-172.7	-170.2	71.3	0	0	0	113.4	V665 V672 T678 L679 Q680	V665-L676 HydrophobicContact CG2-CD1 3.65Å; V672-L676 HydrophobicContact CG1-CD1 4.1Å; V672-L676 PolarHBondContact O-N 2.71Å; L676-T678 VanDerWaalsContact C-N 3.28Å; L676-T678 PolarHBondContact O-N 2.87Å; L676-L679 PolarHBondContact O-N 3.1Å; L676-Q680 HydrophobicContact CD1-CG 4.47Å; L676-Q680 HydrophobicContact CG-CG 4.43Å; L676-Q680 WeakPolarHBondContact O-CB 3.33Å; L676-Q680 WeakPolarHBondContact O-CG 3.48Å; L676-Q680 PolarHBondContact O-N 3.46Å
677	R	71.6	Confident	77.1	Confident	226 Å²	226	84.2 Å²	84.2	85%	0.853	43%	0.426	S	S	*	.	H	α-helix	trans	-64.1	-31.8	176.7	-71.4	-172.1	-176.5	179.2	2.5	112.9	H675 G681	H675-R677 PolarHBondContact O-N 3.36Å; R677-G681 PolarHBondContact O-N 3.12Å
678	T	77.7	Confident	77.7	Confident	80 Å²	80	80.2 Å²	80.2	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-75.9	-39.6	177.1	-56	0	0	0	0	110.7	H675 L676 P682 G683	H675-T678 WeakPolarHBondContact O-CB 3.4Å; H675-T678 PolarHBondContact O-N 2.74Å; L676-T678 VanDerWaalsContact C-N 3.28Å; L676-T678 PolarHBondContact O-N 2.87Å; T678-P682 HydrophobicContact CG2-CG 4.14Å; T678-P682 WeakPolarHBondContact O-CD 3.48Å; T678-G683 PolarHBondContact O-N 3.1Å
679	L	75.6	Confident	78.2	Confident	58 Å²	58	80.4 Å²	80.4	30%	0.304	41%	0.414	S	S	.	.	I	π-helix	trans	-67.4	-41.8	176.8	-74.4	164.5	0	0	0	112.6	Q661 V672 H675 L676 S684	Q661-L679 PolarHBondContact NE2-O 3.23Å; Q661-L679 VanDerWaalsContact NE2-O 3.11Å; V672-L679 HydrophobicContact CG1-CD1 3.93Å; H675-L679 HydrophobicContact CB-CD1 4.23Å; H675-L679 PolarHBondContact O-N 2.93Å; L676-L679 PolarHBondContact O-N 3.1Å; L679-S684 WeakPolarHBondContact O-CB 3.2Å; L679-S684 PolarHBondContact O-N 3.36Å; L679-S684 VanDerWaalsContact O-N 3.14Å
680	Q	71.9	Confident	79.3	Confident	73 Å²	73	83.4 Å²	83.4	34%	0.341	43%	0.427	S	S	.	.	I	π-helix	trans	-73.9	-25.9	177.8	-72.1	179.1	-15.2	0	0	113.3	L676 F842	L676-Q680 HydrophobicContact CD1-CG 4.47Å; L676-Q680 HydrophobicContact CG-CG 4.43Å; L676-Q680 WeakPolarHBondContact O-CB 3.33Å; L676-Q680 WeakPolarHBondContact O-CG 3.48Å; L676-Q680 PolarHBondContact O-N 3.46Å; Q680-F842 PolarHBondContact NE2-O 3.13Å; Q680-F842 VanDerWaalsContact NE2-O 3.08Å
681	G	77.9	Confident	80.5	Confident	26 Å²	26	74.7 Å²	74.7	27%	0.268	39%	0.391	S	S	.	.	I	π-helix	trans	-99	-107.4	178.9	0	0	0	0	0	113	R677 G683 S684	R677-G681 PolarHBondContact O-N 3.12Å; G681-G683 VanDerWaalsContact C-N 3.28Å; G681-G683 PolarHBondContact O-N 3.11Å; G681-S684 PolarHBondContact O-N 3.24Å
682	P	81.7	Confident	81.6	Confident	91 Å²	91	68.3 Å²	68.3	59%	0.591	37%	0.367	S	S	*	.	I	π-helix	trans	-61.9	-28.3	-172.4	23.3	-33.1	0	0	0	114.5	T678 L686	T678-P682 HydrophobicContact CG2-CG 4.14Å; T678-P682 WeakPolarHBondContact O-CD 3.48Å; P682-L686 WeakPolarHBondContact O-CB 3.33Å; P682-L686 PolarHBondContact O-N 3.48Å
683	G	83.8	Confident	82.7	Confident	28 Å²	28	71.5 Å²	71.5	29%	0.289	39%	0.39	S	S	.	.	I	π-helix	trans	-67.4	-42.4	178.5	0	0	0	0	0	113.8	T678 G681 L686 F687	T678-G683 PolarHBondContact O-N 3.1Å; G681-G683 VanDerWaalsContact C-N 3.28Å; G681-G683 PolarHBondContact O-N 3.11Å; G683-L686 PolarHBondContact O-N 3.45Å; G683-F687 WeakPolarHBondContact O-CB 3.16Å; G683-F687 PolarHBondContact O-N 3.07Å
684	S	84.8	Confident	84	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.007	39%	0.387	C	S	.	.	H	α-helix	trans	-64.3	-42.3	176.5	-173.2	0	0	0	0	111.7	S657 L679 G681 F687 V688	S657-S684 WeakPolarHBondContact OG-CB 3.48Å; S657-S684 PolarHBondContact OG-OG 2.96Å; L679-S684 WeakPolarHBondContact O-CB 3.2Å; L679-S684 PolarHBondContact O-N 3.36Å; L679-S684 VanDerWaalsContact O-N 3.14Å; G681-S684 PolarHBondContact O-N 3.24Å; S684-F687 PolarHBondContact O-N 3.44Å; S684-V688 VanDerWaalsContact O-CG2 3.31Å; S684-V688 WeakPolarHBondContact O-CG2 3.26Å; S684-V688 PolarHBondContact O-N 3.25Å
685	W	87.3	Confident	85.1	Confident	121 Å²	121	67.5 Å²	67.5	46%	0.458	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-44.1	175.3	-81.7	95.2	0	0	0	112.9	L610 L613 F687 V688 L689	L610-W685 HydrophobicContact CD2-CD2 4.31Å; L610-W685 HydrophobicContact CD2-CZ2 3.91Å; L613-W685 HydrophobicContact CD1-CH2 3.34Å; L613-W685 HydrophobicContact CD1-CZ2 3.81Å; L613-W685 HydrophobicContact CD1-CZ3 4.09Å; W685-F687 VanDerWaalsContact C-N 3.34Å; W685-F687 PolarHBondContact O-N 2.93Å; W685-V688 PolarHBondContact O-N 2.93Å; W685-L689 WeakPolarHBondContact O-CG 3.39Å; W685-L689 PolarHBondContact O-N 2.83Å
686	L	89.4	Confident	85.9	Confident	106 Å²	106	64.4 Å²	64.4	56%	0.555	35%	0.351	S	S	*	.	H	α-helix	trans	-62.6	-41.4	176.3	-177.9	62.6	0	0	0	111.7	P682 G683 L689 I690	P682-L686 WeakPolarHBondContact O-CB 3.33Å; P682-L686 PolarHBondContact O-N 3.48Å; G683-L686 PolarHBondContact O-N 3.45Å; L686-L689 PolarHBondContact O-N 3.28Å; L686-I690 HydrophobicContact CD1-CD1 4.48Å; L686-I690 HydrophobicContact CG-CD1 4.15Å; L686-I690 VanDerWaalsContact O-CG1 3.32Å; L686-I690 WeakPolarHBondContact O-CG1 3.13Å; L686-I690 PolarHBondContact O-N 2.91Å
687	F	89.8	Confident	87	Confident	64 Å²	64	66 Å²	66	28%	0.281	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-47	177.3	-178.4	-99.5	0	0	0	112.2	L656 L660 G683 S684 W685 L689 I690 C691	L656-F687 HydrophobicContact CB-CE1 4.39Å; L656-F687 HydrophobicContact CD2-CE1 3.97Å; L656-F687 HydrophobicContact CD2-CZ 3.77Å; L656-F687 HydrophobicContact CG-CE1 3.99Å; L656-F687 HydrophobicContact CG-CZ 4.06Å; L660-F687 HydrophobicContact CD1-CE1 4.43Å; L660-F687 HydrophobicContact CD1-CE2 4.28Å; L660-F687 HydrophobicContact CD1-CZ 3.89Å; G683-F687 WeakPolarHBondContact O-CB 3.16Å; G683-F687 PolarHBondContact O-N 3.07Å; S684-F687 PolarHBondContact O-N 3.44Å; W685-F687 VanDerWaalsContact C-N 3.34Å; W685-F687 PolarHBondContact O-N 2.93Å; F687-L689 VanDerWaalsContact C-N 3.32Å; F687-L689 PolarHBondContact O-N 2.96Å; F687-I690 PolarHBondContact O-N 3.46Å; F687-C691 PolarHBondContact O-N 3.06Å
688	V	91.2	Very high	88	Confident	14 Å²	14	57.4 Å²	57.4	9%	0.085	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-43.4	176.3	171	0	0	0	0	110.9	I654 S684 W685 I690 C691 C692	I654-V688 HydrophobicContact CG1-CG1 4.32Å; I654-V688 HydrophobicContact CG1-CG2 3.69Å; S684-V688 VanDerWaalsContact O-CG2 3.31Å; S684-V688 WeakPolarHBondContact O-CG2 3.26Å; S684-V688 PolarHBondContact O-N 3.25Å; W685-V688 PolarHBondContact O-N 2.93Å; V688-I690 VanDerWaalsContact C-N 3.35Å; V688-I690 PolarHBondContact O-N 3.31Å; V688-C691 PolarHBondContact O-N 3.48Å; V688-C692 WeakPolarHBondContact O-CB 3.31Å; V688-C692 PolarHBondContact O-N 2.81Å; V688-C692 PolarHBondContact O-SG 2.8Å
689	L	91.8	Very high	88.7	Confident	101 Å²	101	54 Å²	54	53%	0.529	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-39.7	176.8	-74.4	172.5	0	0	0	112.6	W685 L686 F687 S693	W685-L689 WeakPolarHBondContact O-CG 3.39Å; W685-L689 PolarHBondContact O-N 2.83Å; L686-L689 PolarHBondContact O-N 3.28Å; F687-L689 VanDerWaalsContact C-N 3.32Å; F687-L689 PolarHBondContact O-N 2.96Å; L689-S693 VanDerWaalsContact O-CB 3.32Å; L689-S693 WeakPolarHBondContact O-CB 3.23Å; L689-S693 PolarHBondContact O-N 3.28Å; L689-S693 PolarHBondContact O-OG 2.88Å
690	I	93.7	Very high	89.4	Confident	95 Å²	95	53.2 Å²	53.2	49%	0.487	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-50.9	176.2	-69	164.6	0	0	0	110.3	L686 F687 V688 C692 S693 V694	L686-I690 HydrophobicContact CD1-CD1 4.48Å; L686-I690 HydrophobicContact CG-CD1 4.15Å; L686-I690 VanDerWaalsContact O-CG1 3.32Å; L686-I690 WeakPolarHBondContact O-CG1 3.13Å; L686-I690 PolarHBondContact O-N 2.91Å; F687-I690 PolarHBondContact O-N 3.46Å; V688-I690 VanDerWaalsContact C-N 3.35Å; V688-I690 PolarHBondContact O-N 3.31Å; I690-C692 VanDerWaalsContact C-N 3.33Å; I690-C692 PolarHBondContact O-N 3.35Å; I690-S693 PolarHBondContact O-N 3.46Å; I690-V694 WeakPolarHBondContact O-CG2 3.45Å; I690-V694 PolarHBondContact O-N 3.49Å
691	C	93.3	Very high	90.3	Very high	18 Å²	18	55 Å²	55	12%	0.122	33%	0.331	C	S	.	.	H	α-helix	trans	-59	-43.7	178.4	-69.1	0	0	0	0	112	F687 V688 S693 V694 Q695 M744	F687-C691 PolarHBondContact O-N 3.06Å; V688-C691 PolarHBondContact O-N 3.48Å; C691-S693 PolarHBondContact O-N 3.18Å; C691-V694 PolarHBondContact O-N 3.44Å; C691-Q695 PolarHBondContact O-N 2.9Å; C691-M744 HydrophobicContact CB-SD 4.21Å
692	C	94.1	Very high	90.9	Very high	30 Å²	30	54 Å²	54	20%	0.203	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-36.8	177.3	-66.1	0	0	0	0	112.3	V688 I690 Q695 A696	V688-C692 WeakPolarHBondContact O-CB 3.31Å; V688-C692 PolarHBondContact O-N 2.81Å; V688-C692 PolarHBondContact O-SG 2.8Å; I690-C692 VanDerWaalsContact C-N 3.33Å; I690-C692 PolarHBondContact O-N 3.35Å; C692-Q695 PolarHBondContact O-N 3.43Å; C692-A696 WeakPolarHBondContact O-CB 3.42Å; C692-A696 PolarHBondContact O-N 3.29Å
693	S	93.7	Very high	91.3	Very high	81 Å²	81	51.6 Å²	51.6	57%	0.566	30%	0.302	S	S	*	.	H	α-helix	trans	-67	-41.4	177.2	-59.8	0	0	0	0	111.8	L689 I690 C691 A696 G697	L689-S693 VanDerWaalsContact O-CB 3.32Å; L689-S693 WeakPolarHBondContact O-CB 3.23Å; L689-S693 PolarHBondContact O-N 3.28Å; L689-S693 PolarHBondContact O-OG 2.88Å; I690-S693 PolarHBondContact O-N 3.46Å; C691-S693 PolarHBondContact O-N 3.18Å; S693-A696 PolarHBondContact O-N 2.72Å; S693-G697 PolarHBondContact O-N 2.99Å
694	V	94.8	Very high	91.4	Very high	75 Å²	75	57.8 Å²	57.8	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-46.5	174	174.5	0	0	0	0	110.3	I690 C691 A696 G697 L698 L740	I690-V694 WeakPolarHBondContact O-CG2 3.45Å; I690-V694 PolarHBondContact O-N 3.49Å; C691-V694 PolarHBondContact O-N 3.44Å; V694-A696 PolarHBondContact O-N 3.39Å; V694-G697 PolarHBondContact O-N 3.26Å; V694-L698 PolarHBondContact O-N 3.13Å; V694-L698 VanDerWaalsContact O-N 3.13Å; V694-L740 HydrophobicContact CB-CD2 4.41Å; V694-L740 HydrophobicContact CG1-CD2 3.87Å
695	Q	94.8	Very high	91.4	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-43.2	177	-172.3	68.5	35.2	0	0	112.2	T645 I646 T649 C691 C692 G697 L698 C699 M737 L740	T645-Q695 HydrophobicContact CG2-CG 4.46Å; I646-Q695 HydrophobicContact CG1-CG 4.29Å; T649-Q695 HydrophobicContact CG2-CB 3.66Å; T649-Q695 HydrophobicContact CG2-CG 4.04Å; T649-Q695 VanDerWaalsContact OG1-CG 3.24Å; T649-Q695 WeakPolarHBondContact OG1-CG 3.47Å; C691-Q695 PolarHBondContact O-N 2.9Å; C692-Q695 PolarHBondContact O-N 3.43Å; Q695-G697 VanDerWaalsContact C-N 3.27Å; Q695-G697 PolarHBondContact O-N 3.18Å; Q695-L698 PolarHBondContact O-N 3.04Å; Q695-L698 VanDerWaalsContact O-N 3.14Å; Q695-C699 PolarHBondContact O-N 3.43Å; Q695-C699 PolarHBondContact O-SG 2.79Å; Q695-M737 PolarHBondContact NE2-O 2.8Å; Q695-L740 HydrophobicContact CB-CD2 4.26Å; Q695-L740 VanDerWaalsContact OE1-CD2 3.24Å
696	A	93.9	Very high	91.3	Very high	51 Å²	51	59.1 Å²	59.1	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-38.3	178.4	0	0	0	0	0	111.7	C692 S693 V694 C699 G700	C692-A696 WeakPolarHBondContact O-CB 3.42Å; C692-A696 PolarHBondContact O-N 3.29Å; S693-A696 PolarHBondContact O-N 2.72Å; V694-A696 PolarHBondContact O-N 3.39Å; A696-C699 PolarHBondContact O-N 2.91Å; A696-G700 PolarHBondContact O-N 3.09Å
697	G	93.5	Very high	90.9	Very high	46 Å²	46	57.2 Å²	57.2	47%	0.474	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-44.7	172.7	0	0	0	0	0	113.2	S693 V694 Q695 G700 W701	S693-G697 PolarHBondContact O-N 2.99Å; V694-G697 PolarHBondContact O-N 3.26Å; Q695-G697 VanDerWaalsContact C-N 3.27Å; Q695-G697 PolarHBondContact O-N 3.18Å; G697-G700 PolarHBondContact O-N 2.95Å; G697-W701 PolarHBondContact O-N 3.02Å
698	L	92.8	Very high	90.7	Very high	46 Å²	46	55.7 Å²	55.7	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-41.7	175.8	-66.8	176.7	0	0	0	112	V694 Q695 W701 F702 V736 L740	V694-L698 PolarHBondContact O-N 3.13Å; V694-L698 VanDerWaalsContact O-N 3.13Å; Q695-L698 PolarHBondContact O-N 3.04Å; Q695-L698 VanDerWaalsContact O-N 3.14Å; L698-W701 PolarHBondContact O-N 2.94Å; L698-F702 PolarHBondContact O-N 2.91Å; L698-V736 HydrophobicContact CD2-CG1 4.16Å; L698-L740 HydrophobicContact CD1-CB 4.35Å; L698-L740 HydrophobicContact CD1-CD2 4.21Å
699	C	92.7	Very high	90.4	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-41.6	175.2	-72.2	0	0	0	0	112.2	P642 I646 Q695 A696 W701 F702 V703	P642-C699 HydrophobicContact CB-CB 3.98Å; P642-C699 HydrophobicContact CG-CB 4.47Å; I646-C699 HydrophobicContact CD1-CB 4.33Å; Q695-C699 PolarHBondContact O-N 3.43Å; Q695-C699 PolarHBondContact O-SG 2.79Å; A696-C699 PolarHBondContact O-N 2.91Å; C699-W701 VanDerWaalsContact C-N 3.34Å; C699-W701 PolarHBondContact O-N 2.81Å; C699-F702 WeakPolarHBondContact O-CB 3.31Å; C699-F702 PolarHBondContact O-N 3.47Å; C699-V703 WeakPolarHBondContact O-CG2 3.47Å; C699-V703 PolarHBondContact O-N 2.83Å
700	G	91.1	Very high	90	Very high	42 Å²	42	54 Å²	54	43%	0.433	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-40.9	174.6	0	0	0	0	0	112.6	A696 G697 V703 Q704	A696-G700 PolarHBondContact O-N 3.09Å; G697-G700 PolarHBondContact O-N 2.95Å; G700-V703 PolarHBondContact O-N 3.46Å; G700-Q704 PolarHBondContact O-N 3.14Å; G700-Q704 VanDerWaalsContact O-N 3.12Å
701	W	91.1	Very high	89.5	Confident	112 Å²	112	51.3 Å²	51.3	42%	0.424	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-41.8	174.5	177.1	77.5	0	0	0	112.6	G697 L698 C699 Q704 K705 K733 V736	G697-W701 PolarHBondContact O-N 3.02Å; L698-W701 PolarHBondContact O-N 2.94Å; C699-W701 VanDerWaalsContact C-N 3.34Å; C699-W701 PolarHBondContact O-N 2.81Å; W701-Q704 PolarHBondContact O-N 2.82Å; W701-K705 PolarHBondContact O-N 3.22Å; W701-K733 HydrophobicContact CH2-CB 4.48Å; W701-K733 HydrophobicContact CH2-CG 4.01Å; W701-K733 HydrophobicContact CZ3-CB 4.14Å; W701-K733 HydrophobicContact CZ3-CG 4.13Å; W701-V736 HydrophobicContact CZ3-CG1 4.45Å
702	F	90.3	Very high	89	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-49.9	174.1	177.4	-92.2	0	0	0	111.6	L641 P642 L698 C699 Q704 K705 E706 V729 K733 M737	L641-F702 HydrophobicContact CD1-CE1 4.39Å; L641-F702 HydrophobicContact CD1-CZ 3.83Å; P642-F702 HydrophobicContact CG-CD1 4.05Å; P642-F702 HydrophobicContact CG-CE1 4.48Å; L698-F702 PolarHBondContact O-N 2.91Å; C699-F702 WeakPolarHBondContact O-CB 3.31Å; C699-F702 PolarHBondContact O-N 3.47Å; F702-Q704 VanDerWaalsContact C-N 3.31Å; F702-Q704 PolarHBondContact O-N 2.92Å; F702-K705 PolarHBondContact O-N 2.86Å; F702-E706 PolarHBondContact O-N 2.94Å; F702-V729 HydrophobicContact CE2-CG1 4.46Å; F702-V729 HydrophobicContact CZ-CG1 4.4Å; F702-K733 HydrophobicContact CD2-CB 3.84Å; F702-K733 HydrophobicContact CE2-CB 4.21Å; F702-M737 HydrophobicContact CB-SD 4.15Å; F702-M737 HydrophobicContact CD1-SD 4.34Å; F702-M737 HydrophobicContact CD2-CE 4.35Å; F702-M737 HydrophobicContact CD2-SD 4.4Å; F702-M737 HydrophobicContact CE2-CE 4.44Å; F702-M737 HydrophobicContact CG-CE 4.42Å; F702-M737 HydrophobicContact CG-SD 4.05Å
703	V	89.7	Confident	88.5	Confident	40 Å²	40	55.5 Å²	55.5	24%	0.242	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-33.4	-178.2	172.9	0	0	0	0	112.9	R638 P642 C699 G700	R638-V703 HydrophobicContact CB-CG1 4.21Å; R638-V703 HydrophobicContact CG-CG1 4.25Å; R638-V703 WeakPolarHBondContact O-CG2 3.43Å; P642-V703 HydrophobicContact CG-CG2 4Å; C699-V703 WeakPolarHBondContact O-CG2 3.47Å; C699-V703 PolarHBondContact O-N 2.83Å; G700-V703 PolarHBondContact O-N 3.46Å
704	Q	86.6	Confident	87.9	Confident	159 Å²	159	56 Å²	56	74%	0.743	32%	0.317	S	S	*	.	H	α-helix	trans	-77.1	-33	-178.7	-167	178.9	29.9	0	0	112.8	G700 W701 F702	G700-Q704 PolarHBondContact O-N 3.14Å; G700-Q704 VanDerWaalsContact O-N 3.12Å; W701-Q704 PolarHBondContact O-N 2.82Å; F702-Q704 VanDerWaalsContact C-N 3.31Å; F702-Q704 PolarHBondContact O-N 2.92Å
705	K	85	Confident	87.2	Confident	128 Å²	128	59.5 Å²	59.5	56%	0.557	33%	0.333	S	S	*	.	H	α-helix	trans	-93.4	-13.1	-174	-71.9	-66.3	-173.5	-179	0	114	W701 F702 K733	W701-K705 PolarHBondContact O-N 3.22Å; F702-K705 PolarHBondContact O-N 2.86Å; K705-K733 HydrophobicContact CB-CD 4.28Å; K705-K733 PolarHBondContact O-NZ 3.39Å
706	E	84.1	Confident	86.6	Confident	22 Å²	22	61.3 Å²	61.3	10%	0.103	34%	0.342	C	S	.	.	S	Bend	trans	-88.4	133.4	178.3	-148.8	60.5	-163.2	0	0	110.8	F702 P728 V729 S730 K733	F702-E706 PolarHBondContact O-N 2.94Å; E706-P728 WeakPolarHBondContact CG-O 3.38Å; E706-V729 VanDerWaalsContact OE1-CA 3.27Å; E706-V729 WeakPolarHBondContact OE1-CA 3.48Å; E706-V729 PolarHBondContact OE1-N 2.92Å; E706-S730 PolarHBondContact OE1-N 3.19Å; E706-S730 PolarHBondContact OE1-OG 2.78Å; E706-S730 PolarHBondContact OE2-OG 2.91Å; E706-S730 VanDerWaalsContact OE2-OG 3.08Å; E706-K733 WeakPolarHBondContact OE2-CD 3.46Å; E706-K733 IonicContact OE2-NZ 2.69Å; E706-K733 PolarHBondContact OE2-NZ 2.9Å
707	P	81.3	Confident	85.9	Confident	66 Å²	66	66.3 Å²	66.3	43%	0.429	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65	153.1	179.1	27.1	-34.4	0	0	0	111.5	P728	P707-P728 HydrophobicContact CG-CB 4.03Å; P707-P728 HydrophobicContact CG-CG 4.2Å; P707-P728 VanDerWaalsContact O-CG 3.31Å; P707-P728 WeakPolarHBondContact O-CG 3.06Å
708	S	85.3	Confident	85.4	Confident	31 Å²	31	65.4 Å²	65.4	22%	0.217	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-67.8	154.1	171.4	64.5	0	0	0	0	110.8	D634 T710 A711 Y712	D634-S708 WeakPolarHBondContact OD1-CB 3.36Å; S708-T710 PolarHBondContact O-N 3.42Å; S708-A711 PolarHBondContact O-N 3.46Å; S708-A711 WeakPolarHBondContact OG-CB 3.37Å; S708-A711 PolarHBondContact OG-N 3.29Å; S708-Y712 PolarHBondContact O-N 3.29Å
709	L	85.2	Confident	84.9	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-37.3	174.8	-177.4	66.1	0	0	0	110.5	P632 D634 Y712 K713 L725	P632-L709 HydrophobicContact CB-CD2 4.33Å; P632-L709 HydrophobicContact CG-CD2 4.16Å; P632-L709 WeakPolarHBondContact O-CD2 3.5Å; D634-L709 WeakPolarHBondContact OD1-CA 3.45Å; D634-L709 WeakPolarHBondContact OD1-CB 3.13Å; D634-L709 PolarHBondContact OD1-N 3.01Å; L709-Y712 HydrophobicContact CD1-CD1 4.36Å; L709-Y712 WeakPolarHBondContact O-CB 3.41Å; L709-Y712 PolarHBondContact O-N 2.9Å; L709-K713 HydrophobicContact CG-CD 4.47Å; L709-K713 WeakPolarHBondContact O-CG 3Å; L709-K713 PolarHBondContact O-N 3.3Å; L709-L725 HydrophobicContact CD1-CD1 4.09Å; L709-L725 HydrophobicContact CD1-CG 4.43Å
710	T	83.3	Confident	84.4	Confident	74 Å²	74	69 Å²	69	45%	0.454	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-45.7	175.8	-57.1	0	0	0	0	112.4	D634 S708 Y712 K713 N714	D634-T710 PolarHBondContact OD1-N 3.28Å; D634-T710 PolarHBondContact OD2-OG1 3.33Å; S708-T710 PolarHBondContact O-N 3.42Å; T710-Y712 VanDerWaalsContact C-N 3.33Å; T710-Y712 PolarHBondContact O-N 2.92Å; T710-K713 PolarHBondContact O-N 3.25Å; T710-N714 PolarHBondContact O-N 3.13Å; T710-N714 VanDerWaalsContact O-N 3.16Å; T710-N714 PolarHBondContact O-ND2 3.38Å
711	A	82.9	Confident	83.9	Confident	37 Å²	37	69.9 Å²	69.9	31%	0.306	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-37.2	176.9	0	0	0	0	0	111.7	S708 N714 N715	S708-A711 PolarHBondContact O-N 3.46Å; S708-A711 WeakPolarHBondContact OG-CB 3.37Å; S708-A711 PolarHBondContact OG-N 3.29Å; A711-N714 PolarHBondContact O-N 3.2Å; A711-N715 PolarHBondContact O-N 3.08Å
712	Y	83.4	Confident	83.4	Confident	82 Å²	82	70 Å²	70	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-46.4	175.7	178.6	-105.6	0	0	0	112.4	S708 L709 T710 N714 N715 M716 P728	S708-Y712 PolarHBondContact O-N 3.29Å; L709-Y712 HydrophobicContact CD1-CD1 4.36Å; L709-Y712 WeakPolarHBondContact O-CB 3.41Å; L709-Y712 PolarHBondContact O-N 2.9Å; T710-Y712 VanDerWaalsContact C-N 3.33Å; T710-Y712 PolarHBondContact O-N 2.92Å; Y712-N714 VanDerWaalsContact C-N 3.26Å; Y712-N714 PolarHBondContact O-N 3.18Å; Y712-N715 PolarHBondContact O-N 3.45Å; Y712-M716 HydrophobicContact CD1-CE 3.96Å; Y712-M716 HydrophobicContact CE1-CE 3.2Å; Y712-M716 HydrophobicContact CE2-CE 4.29Å; Y712-M716 PolarHBondContact O-N 3.01Å; Y712-M716 WeakPolarHBondContact OH-CE 3.49Å; Y712-P728 HydrophobicContact CD2-CB 4.16Å; Y712-P728 HydrophobicContact CG-CB 4.3Å
713	K	83.4	Confident	82.9	Confident	55 Å²	55	70.6 Å²	70.6	24%	0.239	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-29.2	175.5	-75.2	-178.4	177.4	179.6	0	113.1	R548 E631 L709 T710 L725	R548-K713 PolarHBondContact NH2-O 2.97Å; E631-K713 IonicContact OE1-NZ 3.97Å; L709-K713 HydrophobicContact CG-CD 4.47Å; L709-K713 WeakPolarHBondContact O-CG 3Å; L709-K713 PolarHBondContact O-N 3.3Å; T710-K713 PolarHBondContact O-N 3.25Å; K713-L725 HydrophobicContact CD-CD1 4.48Å; K713-L725 VanDerWaalsContact CE-CD1 3.5Å; K713-L725 VanDerWaalsContact CE-CD2 3.4Å; K713-L725 HydrophobicContact CG-CD1 4.23Å
714	N	80.5	Confident	82.5	Confident	92 Å²	92	69.3 Å²	69.3	49%	0.492	35%	0.35	S	S	.	.	H	α-helix	trans	-79.3	-33	-179.9	-76.8	-17.6	0	0	0	113.8	R548 T710 A711 Y712	R548-N714 PolarHBondContact NH2-OD1 3.39Å; T710-N714 PolarHBondContact O-N 3.13Å; T710-N714 VanDerWaalsContact O-N 3.16Å; T710-N714 PolarHBondContact O-ND2 3.38Å; A711-N714 PolarHBondContact O-N 3.2Å; Y712-N714 VanDerWaalsContact C-N 3.26Å; Y712-N714 PolarHBondContact O-N 3.18Å
715	N	81.4	Confident	82.4	Confident	148 Å²	148	62 Å²	62	79%	0.791	32%	0.316	S	S	*	.	S	Bend	trans	-92.7	2.8	-179	-68.7	-14.9	0	0	0	113.5	A711 Y712	A711-N715 PolarHBondContact O-N 3.08Å; Y712-N715 PolarHBondContact O-N 3.45Å
716	M	80.4	Confident	82.2	Confident	39 Å²	39	57 Å²	57	19%	0.192	30%	0.297	C	S	.	.			trans	-77.7	127.1	-178.6	-174.4	175.4	-73.7	0	0	110.7	F563 Y712 F720	F563-M716 HydrophobicContact CE1-SD 4.15Å; Y712-M716 HydrophobicContact CD1-CE 3.96Å; Y712-M716 HydrophobicContact CE1-CE 3.2Å; Y712-M716 HydrophobicContact CE2-CE 4.29Å; Y712-M716 PolarHBondContact O-N 3.01Å; Y712-M716 WeakPolarHBondContact OH-CE 3.49Å; M716-F720 HydrophobicContact CG-CZ 4.26Å; M716-F720 HydrophobicContact SD-CE1 4.32Å; M716-F720 HydrophobicContact SD-CZ 3.68Å
717	E	81	Confident	82.3	Confident	156 Å²	156	56.6 Å²	56.6	73%	0.729	30%	0.296	S	S	*	.			trans	-72	128.2	170.5	-171.2	177.1	-177.7	0	0	109.8	F720	E717-F720 WeakPolarHBondContact O-CE1 3.34Å
718	I	82.4	Confident	82.4	Confident	27 Å²	27	54.3 Å²	54.3	14%	0.138	28%	0.281	C	S	.	.			trans	-99.2	99.3	-174.4	-54.2	-107.7	0	0	0	107	W550 P561	W550-I718 HydrophobicContact CB-CG2 4.3Å; W550-I718 WeakPolarHBondContact CZ3-O 3.16Å; P561-I718 HydrophobicContact CB-CG2 4.35Å; P561-I718 HydrophobicContact CG-CD1 3.52Å; P561-I718 HydrophobicContact CG-CG2 3.79Å
719	N	82.6	Confident	82.3	Confident	90 Å²	90	54.8 Å²	54.8	48%	0.481	28%	0.283	S	S	.	.			trans	-129.6	22.9	177.9	63.9	-2.7	0	0	0	112.5	W550	W550-N719 HydrophobicContact CH2-CB 3.95Å; W550-N719 HydrophobicContact CZ2-CB 4.25Å; W550-N719 HydrophobicContact CZ3-CB 4.18Å
720	F	81.4	Confident	82.2	Confident	38 Å²	38	56 Å²	56	17%	0.167	29%	0.292	C	S	.	.			trans	-144.6	155.6	-175.6	49.9	-100.9	0	0	0	110	P561 M716 E717 T723	P561-F720 HydrophobicContact CB-CD2 4.05Å; P561-F720 HydrophobicContact CB-CE2 3.93Å; P561-F720 WeakPolarHBondContact CB-O 3.48Å; P561-F720 HydrophobicContact CG-CE2 4.33Å; M716-F720 HydrophobicContact CG-CZ 4.26Å; M716-F720 HydrophobicContact SD-CE1 4.32Å; M716-F720 HydrophobicContact SD-CZ 3.68Å; E717-F720 WeakPolarHBondContact O-CE1 3.34Å; F720-T723 HydrophobicContact CD2-CG2 3.81Å; F720-T723 HydrophobicContact CE1-CG2 4.37Å; F720-T723 HydrophobicContact CE2-CG2 3.19Å; F720-T723 HydrophobicContact CZ-CG2 3.55Å
721	M	80.4	Confident	82.2	Confident	60 Å²	60	55.9 Å²	55.9	30%	0.296	29%	0.292	S	S	.	.	S	Bend	trans	-90	-30.5	170.8	-160.8	-170	-162.9	0	0	112.2	N552 P561 I562	N552-M721 PolarHBondContact ND2-SD 3.08Å; P561-M721 WeakPolarHBondContact CA-O 3.45Å; I562-M721 PolarHBondContact N-O 2.94Å
722	K	80.1	Confident	82.2	Confident	114 Å²	114	60.1 Å²	60.1	50%	0.496	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.2	-179.1	-66	-175.4	179.4	-178.4	0	110.7	I562 L794	I562-K722 HydrophobicContact CB-CG 4.4Å; I562-K722 WeakPolarHBondContact O-CA 3.42Å; K722-L794 WeakPolarHBondContact O-CD1 3.48Å
723	T	80.8	Confident	82.3	Confident	18 Å²	18	58.1 Å²	58.1	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	148.9	173.3	-159.8	0	0	0	0	111.6	I562 F563 E564 F720	I562-T723 PolarHBondContact O-N 3.39Å; I562-T723 VanDerWaalsContact O-N 3.17Å; F563-T723 CarbonylContact C-O 3.35Å; F563-T723 VanDerWaalsContact CA-O 3.31Å; F563-T723 WeakPolarHBondContact CA-O 3.25Å; F563-T723 HydrophobicContact CD1-CG2 3.55Å; F563-T723 HydrophobicContact CE1-CG2 3.62Å; E564-T723 PolarHBondContact N-O 3.22Å; F720-T723 HydrophobicContact CD2-CG2 3.81Å; F720-T723 HydrophobicContact CE1-CG2 4.37Å; F720-T723 HydrophobicContact CE2-CG2 3.19Å; F720-T723 HydrophobicContact CZ-CG2 3.55Å
724	F	81.4	Confident	82.5	Confident	12 Å²	12	55.8 Å²	55.8	5%	0.053	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.9	172.4	179.9	-94.6	0	0	0	110.4	E564 L566 P726 S797 K798	E564-F724 CarbonylContact O-C 3.59Å; E564-F724 VanDerWaalsContact O-CA 3.31Å; E564-F724 WeakPolarHBondContact O-CA 3.39Å; E564-F724 WeakPolarHBondContact O-CD2 3.02Å; L566-F724 HydrophobicContact CB-CE2 4.45Å; F724-P726 HydrophobicContact CD1-CB 4.37Å; F724-P726 HydrophobicContact CE1-CB 4.28Å; F724-P726 WeakPolarHBondContact O-CD 3.42Å; F724-S797 WeakPolarHBondContact CB-OG 3.47Å; F724-K798 HydrophobicContact CD1-CB 4.26Å; F724-K798 HydrophobicContact CD2-CB 3.88Å; F724-K798 HydrophobicContact CD2-CG 4.05Å; F724-K798 HydrophobicContact CE1-CB 4.45Å; F724-K798 HydrophobicContact CE2-CB 4.09Å; F724-K798 HydrophobicContact CE2-CG 3.9Å; F724-K798 HydrophobicContact CG-CB 3.97Å; F724-K798 HydrophobicContact CZ-CB 4.37Å; F724-K798 HydrophobicContact CZ-CG 4.36Å
725	L	83.9	Confident	82.8	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	30%	0.295	C	S	.	.			trans	-100.7	91.8	-178.7	-176.2	66.8	0	0	0	111.8	F563 E564 I565 P632 L709 K713	F563-L725 HydrophobicContact CB-CB 4.13Å; F563-L725 HydrophobicContact CB-CD2 4.48Å; F563-L725 HydrophobicContact CD1-CB 4.28Å; F563-L725 HydrophobicContact CD1-CD1 4.05Å; F563-L725 HydrophobicContact CE1-CD1 4.4Å; E564-L725 PolarHBondContact O-N 3.07Å; I565-L725 HydrophobicContact CG2-CB 4.34Å; I565-L725 HydrophobicContact CG2-CD2 4.46Å; P632-L725 HydrophobicContact CG-CD2 4.16Å; P632-L725 HydrophobicContact CG-CG 4.32Å; L709-L725 HydrophobicContact CD1-CD1 4.09Å; L709-L725 HydrophobicContact CD1-CG 4.43Å; K713-L725 HydrophobicContact CD-CD1 4.48Å; K713-L725 VanDerWaalsContact CE-CD1 3.5Å; K713-L725 VanDerWaalsContact CE-CD2 3.4Å; K713-L725 HydrophobicContact CG-CD1 4.23Å
726	P	81.3	Confident	83.1	Confident	24 Å²	24	50.9 Å²	50.9	16%	0.156	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-83.1	155.9	172.5	35.3	-37	0	0	0	111.7	F724	F724-P726 HydrophobicContact CD1-CB 4.37Å; F724-P726 HydrophobicContact CE1-CB 4.28Å; F724-P726 WeakPolarHBondContact O-CD 3.42Å
727	C	85.6	Confident	83.6	Confident	13 Å²	13	49.1 Å²	49.1	9%	0.088	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.8	139.5	159.7	-68.6	0	0	0	0	109.9	C637 Q640 V729	C637-C727 WeakPolarHBondContact CA-SG 3.45Å; C637-C727 HydrophobicContact CB-CB 3.67Å; C637-C727 WeakPolarHBondContact CB-SG 3.5Å; C637-C727 VanDerWaalsContact SG-CA 3.59Å; C637-C727 WeakPolarHBondContact SG-CB 3.36Å; C637-C727 CovalentContact SG-SG 2.04Å; C637-C727 PolarHBondContact SG-SG 2.83Å; Q640-C727 PolarHBondContact NE2-SG 3.38Å; C727-V729 PolarHBondContact O-N 3.23Å
728	P	84.2	Confident	84	Confident	18 Å²	18	42.3 Å²	42.3	12%	0.117	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65	123.4	176.9	27.2	-33.4	0	0	0	109.7	E706 P707 Y712	E706-P728 WeakPolarHBondContact CG-O 3.38Å; P707-P728 HydrophobicContact CG-CB 4.03Å; P707-P728 HydrophobicContact CG-CG 4.2Å; P707-P728 VanDerWaalsContact O-CG 3.31Å; P707-P728 WeakPolarHBondContact O-CG 3.06Å; Y712-P728 HydrophobicContact CD2-CB 4.16Å; Y712-P728 HydrophobicContact CG-CB 4.3Å
729	V	83.1	Confident	84.4	Confident	41 Å²	41	42.6 Å²	42.6	25%	0.248	25%	0.247	C	C	.	.			trans	-138.6	117.4	177.8	-178.3	0	0	0	0	110	L641 F702 E706 C727 L734	L641-V729 HydrophobicContact CD1-CG1 4.01Å; L641-V729 HydrophobicContact CD1-CG2 3.76Å; F702-V729 HydrophobicContact CE2-CG1 4.46Å; F702-V729 HydrophobicContact CZ-CG1 4.4Å; E706-V729 VanDerWaalsContact OE1-CA 3.27Å; E706-V729 WeakPolarHBondContact OE1-CA 3.48Å; E706-V729 PolarHBondContact OE1-N 2.92Å; C727-V729 PolarHBondContact O-N 3.23Å; V729-L734 HydrophobicContact CG1-CB 4.09Å; V729-L734 HydrophobicContact CG1-CD2 4.24Å
730	S	83.6	Confident	84.8	Confident	34 Å²	34	40.5 Å²	40.5	24%	0.238	24%	0.236	C	C	.	.			trans	-77.6	122.6	172.2	-56.5	0	0	0	0	110.4	E706 D732 K733 L734	E706-S730 PolarHBondContact OE1-N 3.19Å; E706-S730 PolarHBondContact OE1-OG 2.78Å; E706-S730 PolarHBondContact OE2-OG 2.91Å; E706-S730 VanDerWaalsContact OE2-OG 3.08Å; S730-D732 VanDerWaalsContact C-N 3.3Å; S730-D732 PolarHBondContact O-N 3.11Å; S730-K733 PolarHBondContact O-N 3.22Å; S730-K733 PolarHBondContact OG-NZ 3.47Å; S730-L734 PolarHBondContact O-N 3.25Å; S730-L734 VanDerWaalsContact O-N 3.16Å
731	P	82.4	Confident	85.3	Confident	70 Å²	70	38.7 Å²	38.7	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-37.8	-174.6	23.8	-33.4	0	0	0	112.6	K733 L734 A735	P731-K733 VanDerWaalsContact C-N 3.34Å; P731-K733 PolarHBondContact O-N 3.3Å; P731-L734 PolarHBondContact O-N 3.47Å; P731-A735 WeakPolarHBondContact O-CB 3.31Å; P731-A735 PolarHBondContact O-N 3.07Å
732	D	82.4	Confident	85.9	Confident	127 Å²	127	37.3 Å²	37.3	68%	0.679	23%	0.226	S	C	*	.	H	α-helix	trans	-63.1	-40.7	-179.2	-53.8	-22.3	0	0	0	111.8	S730 A735 V736	S730-D732 VanDerWaalsContact C-N 3.3Å; S730-D732 PolarHBondContact O-N 3.11Å; D732-A735 PolarHBondContact O-N 3.16Å; D732-V736 WeakPolarHBondContact O-CG2 3.3Å; D732-V736 PolarHBondContact O-N 3.06Å
733	K	86.6	Confident	86.5	Confident	39 Å²	39	34 Å²	34	17%	0.17	22%	0.22	C	C	.	.	H	α-helix	trans	-73.1	-38.6	-179.7	-55.4	180	-161.9	155.4	0	111.3	W701 F702 K705 E706 S730 P731 A735 V736 M737	W701-K733 HydrophobicContact CH2-CB 4.48Å; W701-K733 HydrophobicContact CH2-CG 4.01Å; W701-K733 HydrophobicContact CZ3-CB 4.14Å; W701-K733 HydrophobicContact CZ3-CG 4.13Å; F702-K733 HydrophobicContact CD2-CB 3.84Å; F702-K733 HydrophobicContact CE2-CB 4.21Å; K705-K733 HydrophobicContact CB-CD 4.28Å; K705-K733 PolarHBondContact O-NZ 3.39Å; E706-K733 WeakPolarHBondContact OE2-CD 3.46Å; E706-K733 IonicContact OE2-NZ 2.69Å; E706-K733 PolarHBondContact OE2-NZ 2.9Å; S730-K733 PolarHBondContact O-N 3.22Å; S730-K733 PolarHBondContact OG-NZ 3.47Å; P731-K733 VanDerWaalsContact C-N 3.34Å; P731-K733 PolarHBondContact O-N 3.3Å; K733-A735 VanDerWaalsContact C-N 3.32Å; K733-V736 PolarHBondContact O-N 3.22Å; K733-M737 WeakPolarHBondContact O-CB 3.4Å; K733-M737 PolarHBondContact O-N 3.31Å; K733-M737 VanDerWaalsContact O-N 3.08Å
734	L	87.1	Confident	87.1	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-43.1	173	177.2	62.7	0	0	0	111.2	L641 V729 S730 P731 M737 Q738 F782 Y786	L641-L734 HydrophobicContact CD1-CD1 4.2Å; L641-L734 HydrophobicContact CD2-CD1 4.17Å; V729-L734 HydrophobicContact CG1-CB 4.09Å; V729-L734 HydrophobicContact CG1-CD2 4.24Å; S730-L734 PolarHBondContact O-N 3.25Å; S730-L734 VanDerWaalsContact O-N 3.16Å; P731-L734 PolarHBondContact O-N 3.47Å; L734-M737 HydrophobicContact CD1-CE 4.09Å; L734-M737 PolarHBondContact O-N 3.07Å; L734-Q738 WeakPolarHBondContact O-CB 3.33Å; L734-Q738 PolarHBondContact O-N 3.01Å; L734-F782 HydrophobicContact CD2-CZ 4.45Å; L734-Y786 HydrophobicContact CD2-CE1 4.01Å; L734-Y786 HydrophobicContact CD2-CE2 4.24Å
735	A	86.9	Confident	87.7	Confident	63 Å²	63	33 Å²	33	52%	0.521	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-43.9	178.8	0	0	0	0	0	112.3	P731 D732 K733 G739	P731-A735 WeakPolarHBondContact O-CB 3.31Å; P731-A735 PolarHBondContact O-N 3.07Å; D732-A735 PolarHBondContact O-N 3.16Å; K733-A735 VanDerWaalsContact C-N 3.32Å; A735-G739 WeakPolarHBondContact O-CA 3.41Å; A735-G739 PolarHBondContact O-N 2.87Å
736	V	88.4	Confident	88.1	Confident	74 Å²	74	37.1 Å²	37.1	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-44.5	176.6	173.8	0	0	0	0	111.3	L698 W701 D732 K733	L698-V736 HydrophobicContact CD2-CG1 4.16Å; W701-V736 HydrophobicContact CZ3-CG1 4.45Å; D732-V736 WeakPolarHBondContact O-CG2 3.3Å; D732-V736 PolarHBondContact O-N 3.06Å; K733-V736 PolarHBondContact O-N 3.22Å
737	M	89.9	Confident	88.7	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-43.6	-177.9	-177.9	173.1	68.4	0	0	112.6	L641 P642 T645 Q695 F702 K733 L734	L641-M737 HydrophobicContact CB-CE 3.68Å; P642-M737 HydrophobicContact CG-SD 4.37Å; T645-M737 HydrophobicContact CG2-CG 4.08Å; Q695-M737 PolarHBondContact NE2-O 2.8Å; F702-M737 HydrophobicContact CB-SD 4.15Å; F702-M737 HydrophobicContact CD1-SD 4.34Å; F702-M737 HydrophobicContact CD2-CE 4.35Å; F702-M737 HydrophobicContact CD2-SD 4.4Å; F702-M737 HydrophobicContact CE2-CE 4.44Å; F702-M737 HydrophobicContact CG-CE 4.42Å; F702-M737 HydrophobicContact CG-SD 4.05Å; K733-M737 WeakPolarHBondContact O-CB 3.4Å; K733-M737 PolarHBondContact O-N 3.31Å; K733-M737 VanDerWaalsContact O-N 3.08Å; L734-M737 HydrophobicContact CD1-CE 4.09Å; L734-M737 PolarHBondContact O-N 3.07Å
738	Q	89.3	Confident	88.9	Confident	12 Å²	12	38.7 Å²	38.7	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-82.1	-23.1	-179.8	-165.9	62	22.7	0	0	112.8	T645 L734 L740 N741 A742 Y775 W779	T645-Q738 PolarHBondContact OG1-OE1 3.44Å; L734-Q738 WeakPolarHBondContact O-CB 3.33Å; L734-Q738 PolarHBondContact O-N 3.01Å; Q738-L740 VanDerWaalsContact C-N 3.28Å; Q738-L740 PolarHBondContact O-N 3.13Å; Q738-N741 PolarHBondContact O-N 2.87Å; Q738-N741 VanDerWaalsContact O-N 3.16Å; Q738-A742 PolarHBondContact O-N 3.33Å; Q738-Y775 PolarHBondContact NE2-OH 2.02Å; Q738-W779 HydrophobicContact CG-CD2 4.22Å; Q738-W779 HydrophobicContact CG-CE3 3.73Å; Q738-W779 HydrophobicContact CG-CH2 3.77Å; Q738-W779 HydrophobicContact CG-CZ2 4.24Å; Q738-W779 HydrophobicContact CG-CZ3 3.5Å; Q738-W779 VanDerWaalsContact NE2-CE2 3.33Å; Q738-W779 VanDerWaalsContact NE2-CH2 3.31Å
739	G	90.6	Very high	89.4	Confident	33 Å²	33	39.4 Å²	39.4	34%	0.34	25%	0.246	S	C	.	.	H	α-helix	trans	-59.1	-33.8	-179.1	0	0	0	0	0	113.8	A735 N741 A742 A743	A735-G739 WeakPolarHBondContact O-CA 3.41Å; A735-G739 PolarHBondContact O-N 2.87Å; G739-N741 PolarHBondContact O-N 3.2Å; G739-A742 PolarHBondContact O-N 2.86Å; G739-A743 WeakPolarHBondContact O-CB 3.41Å; G739-A743 PolarHBondContact O-N 2.95Å
740	L	91.3	Very high	89.6	Confident	46 Å²	46	42.3 Å²	42.3	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-41.9	176.8	-174.5	62.3	0	0	0	111.8	V694 Q695 L698 Q738 A743 M744	V694-L740 HydrophobicContact CB-CD2 4.41Å; V694-L740 HydrophobicContact CG1-CD2 3.87Å; Q695-L740 HydrophobicContact CB-CD2 4.26Å; Q695-L740 VanDerWaalsContact OE1-CD2 3.24Å; L698-L740 HydrophobicContact CD1-CB 4.35Å; L698-L740 HydrophobicContact CD1-CD2 4.21Å; Q738-L740 VanDerWaalsContact C-N 3.28Å; Q738-L740 PolarHBondContact O-N 3.13Å; L740-A743 PolarHBondContact O-N 3.45Å; L740-M744 HydrophobicContact CG-CE 4.3Å; L740-M744 WeakPolarHBondContact O-CG 3.41Å; L740-M744 PolarHBondContact O-N 3.28Å
741	N	92.9	Very high	89.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-43.7	177	-77.4	-15.3	0	0	0	111.8	T645 Q648 T649 L652 Q738 G739 A743 M744 A745	T645-N741 WeakPolarHBondContact CG2-ND2 3.36Å; T645-N741 PolarHBondContact O-ND2 3.49Å; Q648-N741 WeakPolarHBondContact CB-ND2 3.45Å; T649-N741 VanDerWaalsContact CA-OD1 3.25Å; T649-N741 WeakPolarHBondContact CA-OD1 3.34Å; T649-N741 WeakPolarHBondContact CB-OD1 3.09Å; T649-N741 PolarHBondContact OG1-ND2 3.06Å; T649-N741 PolarHBondContact OG1-OD1 2.95Å; L652-N741 HydrophobicContact CD1-CB 3.78Å; L652-N741 WeakPolarHBondContact CD1-O 3.48Å; Q738-N741 PolarHBondContact O-N 2.87Å; Q738-N741 VanDerWaalsContact O-N 3.16Å; G739-N741 PolarHBondContact O-N 3.2Å; N741-A743 VanDerWaalsContact C-N 3.33Å; N741-A743 PolarHBondContact O-N 3.15Å; N741-M744 PolarHBondContact O-N 2.9Å; N741-M744 WeakPolarHBondContact OD1-CE 3.36Å; N741-A745 PolarHBondContact O-N 3.41Å
742	A	91.6	Very high	89.9	Confident	31 Å²	31	38.1 Å²	38.1	26%	0.256	23%	0.23	S	C	.	.	H	α-helix	trans	-62.1	-41.3	175.1	0	0	0	0	0	111.8	Q738 G739 A745 L746	Q738-A742 PolarHBondContact O-N 3.33Å; G739-A742 PolarHBondContact O-N 2.86Å; A742-A745 PolarHBondContact O-N 3.21Å; A742-L746 WeakPolarHBondContact O-CB 3.3Å; A742-L746 PolarHBondContact O-N 3.34Å
743	A	92.9	Very high	89.9	Confident	46 Å²	46	38.7 Å²	38.7	38%	0.38	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-43.7	176.4	0	0	0	0	0	112.1	G739 L740 N741 A745 L746 V747	G739-A743 WeakPolarHBondContact O-CB 3.41Å; G739-A743 PolarHBondContact O-N 2.95Å; L740-A743 PolarHBondContact O-N 3.45Å; N741-A743 VanDerWaalsContact C-N 3.33Å; N741-A743 PolarHBondContact O-N 3.15Å; A743-A745 VanDerWaalsContact C-N 3.34Å; A743-A745 PolarHBondContact O-N 3.31Å; A743-L746 PolarHBondContact O-N 2.76Å; A743-V747 WeakPolarHBondContact O-CG2 3.34Å; A743-V747 PolarHBondContact O-N 3.06Å
744	M	93.8	Very high	89.3	Confident	9 Å²	9	42.6 Å²	42.6	4%	0.044	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-42.3	175.6	-73.3	-171.5	-65.7	0	0	111.9	T649 L652 L656 C691 L740 N741 S748	T649-M744 HydrophobicContact CG2-CE 3.7Å; L652-M744 HydrophobicContact CB-CB 4.35Å; L652-M744 HydrophobicContact CB-CE 4.22Å; L656-M744 HydrophobicContact CD2-CB 4.07Å; L656-M744 HydrophobicContact CD2-CG 3.9Å; C691-M744 HydrophobicContact CB-SD 4.21Å; L740-M744 HydrophobicContact CG-CE 4.3Å; L740-M744 WeakPolarHBondContact O-CG 3.41Å; L740-M744 PolarHBondContact O-N 3.28Å; N741-M744 PolarHBondContact O-N 2.9Å; N741-M744 WeakPolarHBondContact OD1-CE 3.36Å; M744-S748 WeakPolarHBondContact O-CB 3.38Å; M744-S748 PolarHBondContact O-N 2.88Å; M744-S748 PolarHBondContact O-OG 2.85Å
745	A	93.8	Very high	88.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-41.7	175	0	0	0	0	0	111.9	L652 N741 A742 A743 S748 F749 T772 Y775	L652-A745 HydrophobicContact CD2-CB 4.1Å; N741-A745 PolarHBondContact O-N 3.41Å; A742-A745 PolarHBondContact O-N 3.21Å; A743-A745 VanDerWaalsContact C-N 3.34Å; A743-A745 PolarHBondContact O-N 3.31Å; A745-S748 WeakPolarHBondContact O-CB 3.47Å; A745-S748 PolarHBondContact O-N 3.4Å; A745-F749 WeakPolarHBondContact O-CB 3.49Å; A745-F749 PolarHBondContact O-N 3.13Å; A745-T772 WeakPolarHBondContact O-CB 3.3Å; A745-Y775 HydrophobicContact CB-CD1 3.51Å; A745-Y775 HydrophobicContact CB-CE1 4.06Å; A745-Y775 HydrophobicContact CB-CG 4.4Å
746	L	93.3	Very high	87.9	Confident	91 Å²	91	45.8 Å²	45.8	48%	0.476	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-46.8	177.7	-177.7	65.5	0	0	0	112	A742 A743 S748 F749 M750	A742-L746 WeakPolarHBondContact O-CB 3.3Å; A742-L746 PolarHBondContact O-N 3.34Å; A743-L746 PolarHBondContact O-N 2.76Å; L746-S748 VanDerWaalsContact C-N 3.28Å; L746-S748 PolarHBondContact O-N 2.93Å; L746-F749 HydrophobicContact CD1-CD1 4.45Å; L746-F749 WeakPolarHBondContact O-CB 3.44Å; L746-F749 PolarHBondContact O-N 3.26Å; L746-M750 WeakPolarHBondContact O-CG 3.48Å; L746-M750 PolarHBondContact O-N 2.99Å
747	V	92.5	Very high	86.8	Confident	69 Å²	69	49.6 Å²	49.6	42%	0.418	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.8	177.6	0	0	0	0	110.6	L656 A743 M750 S751	L656-V747 HydrophobicContact CD1-CB 3.98Å; L656-V747 HydrophobicContact CD1-CG1 3.67Å; A743-V747 WeakPolarHBondContact O-CG2 3.34Å; A743-V747 PolarHBondContact O-N 3.06Å; V747-M750 PolarHBondContact O-N 3.45Å; V747-S751 WeakPolarHBondContact O-CB 3.44Å; V747-S751 PolarHBondContact O-N 3.19Å; V747-S751 PolarHBondContact O-OG 3.38Å
748	S	91.4	Very high	85.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-46.7	174.8	-58.3	0	0	0	0	111.5	L656 M744 A745 L746 S751 T752	L656-S748 WeakPolarHBondContact CA-OG 3.5Å; L656-S748 VanDerWaalsContact CB-OG 3.28Å; L656-S748 WeakPolarHBondContact CB-OG 3.42Å; L656-S748 WeakPolarHBondContact CD1-OG 3.14Å; M744-S748 WeakPolarHBondContact O-CB 3.38Å; M744-S748 PolarHBondContact O-N 2.88Å; M744-S748 PolarHBondContact O-OG 2.85Å; A745-S748 WeakPolarHBondContact O-CB 3.47Å; A745-S748 PolarHBondContact O-N 3.4Å; L746-S748 VanDerWaalsContact C-N 3.28Å; L746-S748 PolarHBondContact O-N 2.93Å; S748-S751 PolarHBondContact O-N 3.11Å; S748-T752 PolarHBondContact O-N 3.19Å; S748-T752 VanDerWaalsContact O-N 3.17Å; S748-T752 PolarHBondContact O-OG1 3.37Å; S748-T752 VanDerWaalsContact O-OG1 3.08Å
749	F	92.8	Very high	84.2	Confident	34 Å²	34	54.7 Å²	54.7	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-49.7	175.6	166.5	-102.2	0	0	0	111.9	A745 L746 S751 T752 F753 T769 T772 L773	A745-F749 WeakPolarHBondContact O-CB 3.49Å; A745-F749 PolarHBondContact O-N 3.13Å; L746-F749 HydrophobicContact CD1-CD1 4.45Å; L746-F749 WeakPolarHBondContact O-CB 3.44Å; L746-F749 PolarHBondContact O-N 3.26Å; F749-S751 VanDerWaalsContact C-N 3.28Å; F749-S751 PolarHBondContact O-N 3.39Å; F749-T752 PolarHBondContact O-N 2.94Å; F749-F753 HydrophobicContact CE2-CB 4.28Å; F749-F753 HydrophobicContact CE2-CD2 4.33Å; F749-F753 HydrophobicContact CZ-CB 4.32Å; F749-F753 HydrophobicContact CZ-CD2 4.27Å; F749-F753 HydrophobicContact CZ-CG 4.29Å; F749-F753 VanDerWaalsContact O-CB 3.23Å; F749-F753 WeakPolarHBondContact O-CB 3.34Å; F749-F753 PolarHBondContact O-N 2.68Å; F749-T769 HydrophobicContact CD2-CG2 3.67Å; F749-T769 HydrophobicContact CE2-CG2 3.61Å; F749-T772 WeakPolarHBondContact CA-OG1 3.37Å; F749-T772 WeakPolarHBondContact CB-OG1 3.46Å; F749-L773 HydrophobicContact CD2-CB 3.84Å; F749-L773 HydrophobicContact CD2-CD1 4.29Å; F749-L773 HydrophobicContact CE2-CB 3.98Å; F749-L773 HydrophobicContact CE2-CD1 3.93Å; F749-L773 HydrophobicContact CE2-CD2 4.14Å; F749-L773 HydrophobicContact CE2-CG 4.24Å; F749-L773 HydrophobicContact CZ-CD1 4.13Å
750	M	88.9	Confident	83.1	Confident	101 Å²	101	61.6 Å²	61.6	50%	0.498	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-39.3	179.9	-68.3	-59.3	-68.1	0	0	111.7	L746 V747	L746-M750 WeakPolarHBondContact O-CG 3.48Å; L746-M750 PolarHBondContact O-N 2.99Å; V747-M750 PolarHBondContact O-N 3.45Å
751	S	84.9	Confident	82.2	Confident	13 Å²	13	61.3 Å²	61.3	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-67.6	-36	-179.3	-55.8	0	0	0	0	112.7	V747 S748 F749	V747-S751 WeakPolarHBondContact O-CB 3.44Å; V747-S751 PolarHBondContact O-N 3.19Å; V747-S751 PolarHBondContact O-OG 3.38Å; S748-S751 PolarHBondContact O-N 3.11Å; F749-S751 VanDerWaalsContact C-N 3.28Å; F749-S751 PolarHBondContact O-N 3.39Å
752	T	86.4	Confident	81.4	Confident	4 Å²	4	61.8 Å²	61.8	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-96.6	-21.9	-176.5	56.8	0	0	0	0	114	S659 S748 F749 M754 A755 I768 T769	S659-T752 WeakPolarHBondContact OG-CG2 3.43Å; S748-T752 PolarHBondContact O-N 3.19Å; S748-T752 VanDerWaalsContact O-N 3.17Å; S748-T752 PolarHBondContact O-OG1 3.37Å; S748-T752 VanDerWaalsContact O-OG1 3.08Å; F749-T752 PolarHBondContact O-N 2.94Å; T752-M754 PolarHBondContact O-N 2.89Å; T752-A755 WeakPolarHBondContact O-CB 3.26Å; T752-A755 PolarHBondContact O-N 3.21Å; T752-I768 HydrophobicContact CG2-CB 4.06Å; T752-I768 HydrophobicContact CG2-CD1 4.29Å; T752-I768 HydrophobicContact CG2-CG2 3.8Å; T752-T769 VanDerWaalsContact C-OG1 3.26Å; T752-T769 VanDerWaalsContact CB-OG1 3.27Å; T752-T769 WeakPolarHBondContact CB-OG1 3.49Å; T752-T769 PolarHBondContact O-OG1 2.89Å; T752-T769 PolarHBondContact OG1-OG1 3.18Å
753	F	83.5	Confident	80.9	Confident	138 Å²	138	61.7 Å²	61.7	61%	0.605	31%	0.309	S	S	*	.	H	α-helix	trans	-64.3	-31.8	173.9	177.7	-101.3	0	0	0	112	F749 A755 T769	F749-F753 HydrophobicContact CE2-CB 4.28Å; F749-F753 HydrophobicContact CE2-CD2 4.33Å; F749-F753 HydrophobicContact CZ-CB 4.32Å; F749-F753 HydrophobicContact CZ-CD2 4.27Å; F749-F753 HydrophobicContact CZ-CG 4.29Å; F749-F753 VanDerWaalsContact O-CB 3.23Å; F749-F753 WeakPolarHBondContact O-CB 3.34Å; F749-F753 PolarHBondContact O-N 2.68Å; F753-A755 VanDerWaalsContact C-N 3.29Å; F753-A755 PolarHBondContact O-N 3.41Å; F753-T769 HydrophobicContact CB-CG2 4.15Å; F753-T769 HydrophobicContact CD2-CG2 4.2Å; F753-T769 PolarHBondContact N-OG1 2.98Å
754	M	73.6	Confident	80.4	Confident	121 Å²	121	59.7 Å²	59.7	60%	0.596	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.8	177.3	-57.5	-166.2	101	0	0	113.5	T752 I756	T752-M754 PolarHBondContact O-N 2.89Å; M754-I756 PolarHBondContact O-N 3.22Å
755	A	75.1	Confident	79.9	Confident	18 Å²	18	59.5 Å²	59.5	15%	0.149	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-75.4	123.6	-176.9	0	0	0	0	0	112	I662 T752 F753 A765	I662-A755 HydrophobicContact CG2-CB 4.05Å; T752-A755 WeakPolarHBondContact O-CB 3.26Å; T752-A755 PolarHBondContact O-N 3.21Å; F753-A755 VanDerWaalsContact C-N 3.29Å; F753-A755 PolarHBondContact O-N 3.41Å; A755-A765 HydrophobicContact CB-CB 3.64Å
756	I	68.6	Low	79.6	Confident	119 Å²	119	65.1 Å²	65.1	61%	0.61	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-67.5	135.7	177.9	-59.8	172.8	0	0	0	110	M754 P758	M754-I756 PolarHBondContact O-N 3.22Å; I756-P758 WeakPolarHBondContact O-CD 3.35Å
757	K	66.8	Low	79.3	Confident	154 Å²	154	61 Å²	61	67%	0.67	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-64.7	120.6	176.2	-178.5	-173.9	175.5	-170.8	0	110
758	P	64.6	Low	79.2	Confident	8 Å²	8	57.8 Å²	57.8	5%	0.052	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-71	136.8	174.5	28.1	-33.2	0	0	0	111.3	I756 Q761 P848	I756-P758 WeakPolarHBondContact O-CD 3.35Å; P758-Q761 HydrophobicContact CB-CB 3.92Å; P758-Q761 HydrophobicContact CB-CG 4.45Å; P758-Q761 VanDerWaalsContact CB-OE1 3.28Å; P758-Q761 HydrophobicContact CG-CB 3.86Å; P758-P848 HydrophobicContact CB-CB 4Å
759	H	59.8	Low	79.1	Confident	114 Å²	114	58.5 Å²	58.5	53%	0.528	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	134.1	175.1	-104.8	-60.8	0	0	0	110.7	Q761	H759-Q761 PolarHBondContact O-N 2.77Å; H759-Q761 VanDerWaalsContact O-N 3.12Å
760	H	65.9	Low	79	Confident	177 Å²	177	62.3 Å²	62.3	82%	0.819	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	20.2	-179.2	-69	-45.8	0	0	0	117.2	Y838	H760-Y838 WeakPolarHBondContact O-CD2 3.4Å
761	Q	72.5	Confident	79.2	Confident	40 Å²	40	57.5 Å²	57.5	19%	0.187	27%	0.269	C	S	.	.	S	Bend	trans	-124.8	164.9	177	-66.7	178.5	-9.3	0	0	113	P758 H759 Y838 T841	P758-Q761 HydrophobicContact CB-CB 3.92Å; P758-Q761 HydrophobicContact CB-CG 4.45Å; P758-Q761 VanDerWaalsContact CB-OE1 3.28Å; P758-Q761 HydrophobicContact CG-CB 3.86Å; H759-Q761 PolarHBondContact O-N 2.77Å; H759-Q761 VanDerWaalsContact O-N 3.12Å; Q761-Y838 WeakPolarHBondContact CB-O 3.42Å; Q761-T841 PolarHBondContact NE2-OG1 3.48Å; Q761-T841 VanDerWaalsContact OE1-CB 3.22Å; Q761-T841 PolarHBondContact OE1-OG1 2.9Å
762	Y	77.8	Confident	79.6	Confident	11 Å²	11	56.9 Å²	56.9	4%	0.043	27%	0.265	C	S	.	.			trans	-67.7	133.9	177.4	-168.7	-102	0	0	0	112.4	L764 D767 L826 Y838 F839 F842	Y762-L764 HydrophobicContact CD1-CB 4.15Å; Y762-L764 HydrophobicContact CE1-CB 4.41Å; Y762-L764 HydrophobicContact CE1-CD1 4.37Å; Y762-L764 PolarHBondContact O-N 2.98Å; Y762-D767 WeakPolarHBondContact CE1-OD2 3.38Å; Y762-D767 PolarHBondContact OH-OD2 3.22Å; Y762-L826 HydrophobicContact CD2-CD1 3.48Å; Y762-L826 VanDerWaalsContact CD2-CD1 3.48Å; Y762-L826 HydrophobicContact CE2-CD1 3.49Å; Y762-L826 VanDerWaalsContact CE2-CD1 3.49Å; Y762-Y838 AromaticContact CD2-CE1 3.95Å; Y762-Y838 HydrophobicContact CD2-CE1 3.95Å; Y762-Y838 HydrophobicContact CG-CE1 4.23Å; Y762-Y838 PolarHBondContact N-O 3.09Å; Y762-Y838 VanDerWaalsContact N-O 3.17Å; Y762-F839 AromaticContact CD1-CE1 3.77Å; Y762-F839 HydrophobicContact CD1-CE1 3.77Å; Y762-F839 HydrophobicContact CD2-CE1 4.34Å; Y762-F839 HydrophobicContact CG-CD1 4.42Å; Y762-F839 AromaticContact CG-CE1 3.56Å; Y762-F839 HydrophobicContact CG-CE1 3.56Å; Y762-F839 HydrophobicContact CG-CZ 4.18Å; Y762-F842 VanDerWaalsContact O-CE2 3.26Å; Y762-F842 WeakPolarHBondContact O-CE2 3.48Å
763	N	80.4	Confident	79.9	Confident	28 Å²	28	60 Å²	60	15%	0.15	28%	0.281	C	S	.	.			trans	-91.3	79.7	178	-168.9	-13.6	0	0	0	111.6	A765 R766	N763-A765 VanDerWaalsContact C-N 3.31Å; N763-A765 PolarHBondContact O-N 3.36Å; N763-A765 PolarHBondContact OD1-N 3.29Å; N763-R766 HydrophobicContact CB-CB 4.19Å; N763-R766 VanDerWaalsContact CG-CB 3.47Å; N763-R766 PolarHBondContact O-N 2.94Å; N763-R766 WeakPolarHBondContact OD1-CB 3.36Å; N763-R766 PolarHBondContact OD1-N 3.25Å
764	L	81.4	Confident	80.3	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-33.8	177	-176.7	63.1	0	0	0	112.6	A605 I662 Y762 R766 D767 I768 F842	A605-L764 WeakPolarHBondContact O-CD2 3.39Å; I662-L764 HydrophobicContact CD1-CD2 4.33Å; I662-L764 HydrophobicContact CD1-CG 4.42Å; Y762-L764 HydrophobicContact CD1-CB 4.15Å; Y762-L764 HydrophobicContact CE1-CB 4.41Å; Y762-L764 HydrophobicContact CE1-CD1 4.37Å; Y762-L764 PolarHBondContact O-N 2.98Å; L764-R766 VanDerWaalsContact C-N 3.31Å; L764-R766 PolarHBondContact O-N 3.13Å; L764-D767 PolarHBondContact O-N 3.1Å; L764-I768 HydrophobicContact CG-CD1 4.41Å; L764-I768 PolarHBondContact O-N 3.07Å; L764-F842 HydrophobicContact CB-CE1 4.02Å; L764-F842 HydrophobicContact CB-CE2 4.37Å; L764-F842 HydrophobicContact CB-CZ 3.93Å; L764-F842 HydrophobicContact CD2-CD1 4.18Å; L764-F842 HydrophobicContact CD2-CE1 4.4Å
765	A	83.9	Confident	81.2	Confident	5 Å²	5	51 Å²	51	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-39.1	179.7	0	0	0	0	0	111.9	I662 A755 N763 D767 I768 T769	I662-A765 HydrophobicContact CG2-CB 4.14Å; A755-A765 HydrophobicContact CB-CB 3.64Å; N763-A765 VanDerWaalsContact C-N 3.31Å; N763-A765 PolarHBondContact O-N 3.36Å; N763-A765 PolarHBondContact OD1-N 3.29Å; A765-D767 PolarHBondContact O-N 3.32Å; A765-I768 PolarHBondContact O-N 2.81Å; A765-T769 WeakPolarHBondContact O-CB 3.4Å; A765-T769 PolarHBondContact O-N 3.44Å; A765-T769 PolarHBondContact O-OG1 3.27Å
766	R	86.9	Confident	82.1	Confident	119 Å²	119	51 Å²	51	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-44.9	176.5	179.2	-173.9	66.9	-175.7	-2.6	112.8	N763 L764 I768 T769 F770	N763-R766 HydrophobicContact CB-CB 4.19Å; N763-R766 VanDerWaalsContact CG-CB 3.47Å; N763-R766 PolarHBondContact O-N 2.94Å; N763-R766 WeakPolarHBondContact OD1-CB 3.36Å; N763-R766 PolarHBondContact OD1-N 3.25Å; L764-R766 VanDerWaalsContact C-N 3.31Å; L764-R766 PolarHBondContact O-N 3.13Å; R766-I768 VanDerWaalsContact C-N 3.32Å; R766-I768 PolarHBondContact O-N 2.96Å; R766-T769 PolarHBondContact O-N 3.25Å; R766-F770 HydrophobicContact CG-CD2 3.7Å; R766-F770 HydrophobicContact CG-CE2 3.43Å; R766-F770 VanDerWaalsContact CG-CE2 3.43Å; R766-F770 VanDerWaalsContact O-CD2 3.22Å; R766-F770 WeakPolarHBondContact O-CD2 3.4Å; R766-F770 PolarHBondContact O-N 3.27Å
767	D	88	Confident	83.2	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.027	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-39.8	-179.1	-61	-9.5	0	0	0	110.8	Y762 L764 A765 S771	Y762-D767 WeakPolarHBondContact CE1-OD2 3.38Å; Y762-D767 PolarHBondContact OH-OD2 3.22Å; L764-D767 PolarHBondContact O-N 3.1Å; A765-D767 PolarHBondContact O-N 3.32Å; D767-S771 WeakPolarHBondContact O-CB 3.33Å; D767-S771 PolarHBondContact O-N 3.34Å; D767-S771 VanDerWaalsContact O-N 3.11Å; D767-S771 PolarHBondContact O-OG 2.84Å
768	I	89.1	Confident	84.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-51.8	173.6	-65.9	164.7	0	0	0	110.2	I655 I658 S659 I662 T752 L764 A765 R766 F770 S771 T772 Y819	I655-I768 HydrophobicContact CG2-CG2 3.83Å; I658-I768 HydrophobicContact CG2-CD1 3.84Å; S659-I768 VanDerWaalsContact OG-CG2 3.3Å; S659-I768 WeakPolarHBondContact OG-CG2 3.41Å; I662-I768 HydrophobicContact CD1-CD1 3.58Å; T752-I768 HydrophobicContact CG2-CB 4.06Å; T752-I768 HydrophobicContact CG2-CD1 4.29Å; T752-I768 HydrophobicContact CG2-CG2 3.8Å; L764-I768 HydrophobicContact CG-CD1 4.41Å; L764-I768 PolarHBondContact O-N 3.07Å; A765-I768 PolarHBondContact O-N 2.81Å; R766-I768 VanDerWaalsContact C-N 3.32Å; R766-I768 PolarHBondContact O-N 2.96Å; I768-F770 VanDerWaalsContact C-N 3.33Å; I768-F770 PolarHBondContact O-N 2.86Å; I768-S771 WeakPolarHBondContact CA-OG 3.38Å; I768-S771 PolarHBondContact O-N 3.16Å; I768-S771 PolarHBondContact O-OG 3.05Å; I768-T772 HydrophobicContact CG2-CG2 4.09Å; I768-T772 PolarHBondContact O-N 2.93Å; I768-T772 PolarHBondContact O-OG1 2.93Å; I768-Y819 HydrophobicContact CD1-CE2 4.25Å; I768-Y819 HydrophobicContact CG1-CD2 3.88Å; I768-Y819 HydrophobicContact CG1-CE2 3.46Å; I768-Y819 VanDerWaalsContact CG1-CE2 3.46Å
769	T	90.3	Very high	85.7	Confident	15 Å²	15	43.1 Å²	43.1	9%	0.092	21%	0.207	C	C	.	.	H	α-helix	trans	-53	-47.2	-179.5	-60.8	0	0	0	0	112	F749 T752 F753 A765 R766 T772 L773	F749-T769 HydrophobicContact CD2-CG2 3.67Å; F749-T769 HydrophobicContact CE2-CG2 3.61Å; T752-T769 VanDerWaalsContact C-OG1 3.26Å; T752-T769 VanDerWaalsContact CB-OG1 3.27Å; T752-T769 WeakPolarHBondContact CB-OG1 3.49Å; T752-T769 PolarHBondContact O-OG1 2.89Å; T752-T769 PolarHBondContact OG1-OG1 3.18Å; F753-T769 HydrophobicContact CB-CG2 4.15Å; F753-T769 HydrophobicContact CD2-CG2 4.2Å; F753-T769 PolarHBondContact N-OG1 2.98Å; A765-T769 WeakPolarHBondContact O-CB 3.4Å; A765-T769 PolarHBondContact O-N 3.44Å; A765-T769 PolarHBondContact O-OG1 3.27Å; R766-T769 PolarHBondContact O-N 3.25Å; T769-T772 PolarHBondContact O-OG1 3.25Å; T769-L773 WeakPolarHBondContact O-CB 3.38Å; T769-L773 PolarHBondContact O-N 3.34Å
770	F	91	Very high	87.1	Confident	115 Å²	115	42.3 Å²	42.3	50%	0.504	21%	0.21	S	C	.	.	H	α-helix	trans	-66.4	-42.3	177.7	-76.7	-60.9	0	0	0	112.5	R766 I768 I774 A818	R766-F770 HydrophobicContact CG-CD2 3.7Å; R766-F770 HydrophobicContact CG-CE2 3.43Å; R766-F770 VanDerWaalsContact CG-CE2 3.43Å; R766-F770 VanDerWaalsContact O-CD2 3.22Å; R766-F770 WeakPolarHBondContact O-CD2 3.4Å; R766-F770 PolarHBondContact O-N 3.27Å; I768-F770 VanDerWaalsContact C-N 3.33Å; I768-F770 PolarHBondContact O-N 2.86Å; F770-I774 WeakPolarHBondContact O-CB 3.36Å; F770-I774 VanDerWaalsContact O-CG1 3.28Å; F770-I774 WeakPolarHBondContact O-CG1 3.37Å; F770-I774 PolarHBondContact O-N 3.37Å; F770-A818 HydrophobicContact CB-CB 4.36Å
771	S	92.6	Very high	88.2	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-43.7	-179.7	70.1	0	0	0	0	113.2	D767 I768 Y775	D767-S771 WeakPolarHBondContact O-CB 3.33Å; D767-S771 PolarHBondContact O-N 3.34Å; D767-S771 VanDerWaalsContact O-N 3.11Å; D767-S771 PolarHBondContact O-OG 2.84Å; I768-S771 WeakPolarHBondContact CA-OG 3.38Å; I768-S771 PolarHBondContact O-N 3.16Å; I768-S771 PolarHBondContact O-OG 3.05Å; S771-Y775 PolarHBondContact O-N 3.17Å
772	T	92.9	Very high	89	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-77	-31.1	-179.3	55	0	0	0	0	111.9	I655 A745 F749 I768 T769 Y775 C776	I655-T772 HydrophobicContact CG2-CG2 3.82Å; A745-T772 WeakPolarHBondContact O-CB 3.3Å; F749-T772 WeakPolarHBondContact CA-OG1 3.37Å; F749-T772 WeakPolarHBondContact CB-OG1 3.46Å; I768-T772 HydrophobicContact CG2-CG2 4.09Å; I768-T772 PolarHBondContact O-N 2.93Å; I768-T772 PolarHBondContact O-OG1 2.93Å; T769-T772 PolarHBondContact O-OG1 3.25Å; T772-Y775 PolarHBondContact O-N 2.96Å; T772-C776 PolarHBondContact O-N 3.45Å; T772-C776 PolarHBondContact O-SG 2.99Å
773	L	92.4	Very high	89.2	Confident	68 Å²	68	41.2 Å²	41.2	36%	0.356	21%	0.209	S	C	.	.	H	α-helix	trans	-65.2	-47.9	172.7	-179.8	62.4	0	0	0	111.8	F749 T769 Y775 C776 V777	F749-L773 HydrophobicContact CD2-CB 3.84Å; F749-L773 HydrophobicContact CD2-CD1 4.29Å; F749-L773 HydrophobicContact CE2-CB 3.98Å; F749-L773 HydrophobicContact CE2-CD1 3.93Å; F749-L773 HydrophobicContact CE2-CD2 4.14Å; F749-L773 HydrophobicContact CE2-CG 4.24Å; F749-L773 HydrophobicContact CZ-CD1 4.13Å; T769-L773 WeakPolarHBondContact O-CB 3.38Å; T769-L773 PolarHBondContact O-N 3.34Å; L773-Y775 VanDerWaalsContact C-N 3.27Å; L773-Y775 PolarHBondContact O-N 3.39Å; L773-C776 PolarHBondContact O-N 3.14Å; L773-V777 HydrophobicContact CD1-CG2 4.41Å; L773-V777 WeakPolarHBondContact O-CG2 3.23Å; L773-V777 PolarHBondContact O-N 3.14Å
774	I	92.6	Very high	89.3	Confident	70 Å²	70	43.5 Å²	43.5	36%	0.359	23%	0.226	S	C	.	.	H	α-helix	trans	-57.9	-43.8	176.7	-71.8	166.9	0	0	0	110.1	F770 V777 I778 A818	F770-I774 WeakPolarHBondContact O-CB 3.36Å; F770-I774 VanDerWaalsContact O-CG1 3.28Å; F770-I774 WeakPolarHBondContact O-CG1 3.37Å; F770-I774 PolarHBondContact O-N 3.37Å; I774-V777 PolarHBondContact O-N 2.94Å; I774-I778 HydrophobicContact CG2-CD1 3.78Å; I774-I778 VanDerWaalsContact O-CG1 3.3Å; I774-I778 WeakPolarHBondContact O-CG1 3.1Å; I774-I778 PolarHBondContact O-N 2.97Å; I774-I778 VanDerWaalsContact O-N 3.07Å; I774-A818 HydrophobicContact CD1-CB 3.95Å
775	Y	93.3	Very high	89.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-47.3	176.2	-172.4	-89.5	0	0	0	112.3	Q648 L652 Q738 A745 S771 T772 L773 V777 I778 W779 L815	Q648-Y775 PolarHBondContact OE1-OH 3.33Å; L652-Y775 HydrophobicContact CD1-CD1 4.41Å; L652-Y775 HydrophobicContact CD1-CE1 3.68Å; L652-Y775 HydrophobicContact CD1-CE2 4.33Å; Q738-Y775 PolarHBondContact NE2-OH 2.02Å; A745-Y775 HydrophobicContact CB-CD1 3.51Å; A745-Y775 HydrophobicContact CB-CE1 4.06Å; A745-Y775 HydrophobicContact CB-CG 4.4Å; S771-Y775 PolarHBondContact O-N 3.17Å; T772-Y775 PolarHBondContact O-N 2.96Å; L773-Y775 VanDerWaalsContact C-N 3.27Å; L773-Y775 PolarHBondContact O-N 3.39Å; Y775-V777 PolarHBondContact O-N 3.17Å; Y775-I778 PolarHBondContact O-N 3.17Å; Y775-W779 AromaticContact CD1-CD1 3.63Å; Y775-W779 AromaticContact CD2-NE1 3.98Å; Y775-W779 AromaticContact CE1-CD1 3.27Å; Y775-W779 HydrophobicContact CE1-CG 4.29Å; Y775-W779 AromaticContact CE1-NE1 3.5Å; Y775-W779 AromaticContact CE2-CD1 3.77Å; Y775-W779 AromaticContact CE2-NE1 3.29Å; Y775-W779 VanDerWaalsContact CE2-NE1 3.29Å; Y775-W779 AromaticContact CZ-CD1 3.35Å; Y775-W779 AromaticContact CZ-NE1 3Å; Y775-W779 VanDerWaalsContact O-CD1 3.3Å; Y775-W779 PolarHBondContact O-N 2.86Å; Y775-W779 VanDerWaalsContact O-N 3.15Å; Y775-W779 PolarHBondContact OH-NE1 2.85Å; Y775-W779 VanDerWaalsContact OH-NE1 3.09Å; Y775-L815 HydrophobicContact CD2-CD1 3.73Å; Y775-L815 HydrophobicContact CD2-CD2 4.32Å; Y775-L815 HydrophobicContact CD2-CG 3.9Å; Y775-L815 HydrophobicContact CE2-CD1 4Å; Y775-L815 HydrophobicContact CG-CD2 4.5Å
776	C	92.3	Very high	89.1	Confident	20 Å²	20	46.8 Å²	46.8	14%	0.135	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-44.9	176.9	-72	0	0	0	0	112.4	T772 L773 I778 W779 V780	T772-C776 PolarHBondContact O-N 3.45Å; T772-C776 PolarHBondContact O-SG 2.99Å; L773-C776 PolarHBondContact O-N 3.14Å; C776-I778 PolarHBondContact O-N 3.48Å; C776-W779 PolarHBondContact O-N 2.97Å; C776-V780 VanDerWaalsContact O-CG2 3.29Å; C776-V780 WeakPolarHBondContact O-CG2 3.37Å; C776-V780 PolarHBondContact O-N 2.98Å
777	V	92.9	Very high	88.6	Confident	74 Å²	74	45.8 Å²	45.8	45%	0.448	25%	0.25	S	C	.	.	H	α-helix	trans	-60.8	-45.5	179.2	171.6	0	0	0	0	111.2	L773 I774 Y775 W779 V780 I781	L773-V777 HydrophobicContact CD1-CG2 4.41Å; L773-V777 WeakPolarHBondContact O-CG2 3.23Å; L773-V777 PolarHBondContact O-N 3.14Å; I774-V777 PolarHBondContact O-N 2.94Å; Y775-V777 PolarHBondContact O-N 3.17Å; V777-W779 VanDerWaalsContact C-N 3.35Å; V777-W779 PolarHBondContact O-N 2.84Å; V777-V780 PolarHBondContact O-N 2.91Å; V777-I781 HydrophobicContact CG1-CD1 3.8Å; V777-I781 VanDerWaalsContact O-CG1 3.3Å; V777-I781 WeakPolarHBondContact O-CG1 3.49Å; V777-I781 PolarHBondContact O-N 3.34Å
778	I	92.3	Very high	87.4	Confident	27 Å²	27	47.6 Å²	47.6	14%	0.138	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-46.1	178.8	-70	168.5	0	0	0	110.8	I774 Y775 C776 I781 F782 F807 A810	I774-I778 HydrophobicContact CG2-CD1 3.78Å; I774-I778 VanDerWaalsContact O-CG1 3.3Å; I774-I778 WeakPolarHBondContact O-CG1 3.1Å; I774-I778 PolarHBondContact O-N 2.97Å; I774-I778 VanDerWaalsContact O-N 3.07Å; Y775-I778 PolarHBondContact O-N 3.17Å; C776-I778 PolarHBondContact O-N 3.48Å; I778-I781 PolarHBondContact O-N 2.68Å; I778-F782 PolarHBondContact O-N 3.41Å; I778-F807 HydrophobicContact CG2-CD1 3.77Å; I778-F807 WeakPolarHBondContact O-CD1 3.01Å; I778-F807 WeakPolarHBondContact O-CE1 3.47Å; I778-A810 HydrophobicContact CD1-CB 4.08Å; I778-A810 WeakPolarHBondContact CD1-O 3.16Å; I778-A810 HydrophobicContact CG2-CB 4.28Å
779	W	91.3	Very high	86.1	Confident	13 Å²	13	50.2 Å²	50.2	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-75	-24.9	-179.3	-77.1	103.3	0	0	0	114.3	Q738 Y775 C776 V777 F782 H804	Q738-W779 HydrophobicContact CG-CD2 4.22Å; Q738-W779 HydrophobicContact CG-CE3 3.73Å; Q738-W779 HydrophobicContact CG-CH2 3.77Å; Q738-W779 HydrophobicContact CG-CZ2 4.24Å; Q738-W779 HydrophobicContact CG-CZ3 3.5Å; Q738-W779 VanDerWaalsContact NE2-CE2 3.33Å; Q738-W779 VanDerWaalsContact NE2-CH2 3.31Å; Y775-W779 AromaticContact CD1-CD1 3.63Å; Y775-W779 AromaticContact CD2-NE1 3.98Å; Y775-W779 AromaticContact CE1-CD1 3.27Å; Y775-W779 HydrophobicContact CE1-CG 4.29Å; Y775-W779 AromaticContact CE1-NE1 3.5Å; Y775-W779 AromaticContact CE2-CD1 3.77Å; Y775-W779 AromaticContact CE2-NE1 3.29Å; Y775-W779 VanDerWaalsContact CE2-NE1 3.29Å; Y775-W779 AromaticContact CZ-CD1 3.35Å; Y775-W779 AromaticContact CZ-NE1 3Å; Y775-W779 VanDerWaalsContact O-CD1 3.3Å; Y775-W779 PolarHBondContact O-N 2.86Å; Y775-W779 VanDerWaalsContact O-N 3.15Å; Y775-W779 PolarHBondContact OH-NE1 2.85Å; Y775-W779 VanDerWaalsContact OH-NE1 3.09Å; C776-W779 PolarHBondContact O-N 2.97Å; V777-W779 VanDerWaalsContact C-N 3.35Å; V777-W779 PolarHBondContact O-N 2.84Å; W779-F782 HydrophobicContact CE3-CB 4.09Å; W779-F782 AromaticContact CE3-CD1 3.8Å; W779-F782 HydrophobicContact CE3-CD1 3.8Å; W779-F782 HydrophobicContact CE3-CE1 4.45Å; W779-F782 AromaticContact CE3-CG 3.96Å; W779-F782 HydrophobicContact CE3-CG 3.96Å; W779-F782 AromaticContact CZ3-CD1 3.79Å; W779-F782 HydrophobicContact CZ3-CD1 3.79Å; W779-F782 HydrophobicContact CZ3-CD2 4.4Å; W779-F782 HydrophobicContact CZ3-CE1 4.03Å; W779-F782 AromaticContact CZ3-CG 3.99Å; W779-F782 HydrophobicContact CZ3-CG 3.99Å; W779-F782 HydrophobicContact CZ3-CZ 4.44Å; W779-H804 AromaticContact CH2-CE1 3.97Å
780	V	89.8	Confident	84.2	Confident	98 Å²	98	56 Å²	56	59%	0.594	32%	0.319	S	S	*	.	H	α-helix	trans	-69	-40.8	169.1	169.2	0	0	0	0	110.8	C776 V777 F782 I783 P784	C776-V780 VanDerWaalsContact O-CG2 3.29Å; C776-V780 WeakPolarHBondContact O-CG2 3.37Å; C776-V780 PolarHBondContact O-N 2.98Å; V777-V780 PolarHBondContact O-N 2.91Å; V780-F782 VanDerWaalsContact C-N 3.33Å; V780-I783 PolarHBondContact O-N 3.43Å; V780-P784 WeakPolarHBondContact O-CD 3.47Å
781	I	89	Confident	82.2	Confident	85 Å²	85	53.5 Å²	53.5	44%	0.436	32%	0.32	S	S	.	.	H	α-helix	trans	-68.7	-31.8	176.7	-64.8	167.7	0	0	0	111.5	V777 I778 I783 P784 V785 F807	V777-I781 HydrophobicContact CG1-CD1 3.8Å; V777-I781 VanDerWaalsContact O-CG1 3.3Å; V777-I781 WeakPolarHBondContact O-CG1 3.49Å; V777-I781 PolarHBondContact O-N 3.34Å; I778-I781 PolarHBondContact O-N 2.68Å; I781-I783 VanDerWaalsContact C-N 3.28Å; I781-I783 PolarHBondContact O-N 3.02Å; I781-P784 WeakPolarHBondContact O-CD 3.26Å; I781-P784 WeakPolarHBondContact O-CG 3.33Å; I781-V785 HydrophobicContact CG2-CG2 4.2Å; I781-V785 WeakPolarHBondContact O-CG2 3.31Å; I781-V785 PolarHBondContact O-N 3.21Å; I781-F807 HydrophobicContact CB-CE1 4.02Å; I781-F807 HydrophobicContact CG2-CE1 3.77Å; I781-F807 HydrophobicContact CG2-CZ 3.88Å
782	F	87.9	Confident	80.2	Confident	15 Å²	15	60 Å²	60	7%	0.066	35%	0.354	C	S	.	.	H	α-helix	trans	-56.1	-40.7	177.3	171.4	-102	0	0	0	112.7	L734 I778 W779 V780 V785 Y786 V803 H804 F807	L734-F782 HydrophobicContact CD2-CZ 4.45Å; I778-F782 PolarHBondContact O-N 3.41Å; W779-F782 HydrophobicContact CE3-CB 4.09Å; W779-F782 AromaticContact CE3-CD1 3.8Å; W779-F782 HydrophobicContact CE3-CD1 3.8Å; W779-F782 HydrophobicContact CE3-CE1 4.45Å; W779-F782 AromaticContact CE3-CG 3.96Å; W779-F782 HydrophobicContact CE3-CG 3.96Å; W779-F782 AromaticContact CZ3-CD1 3.79Å; W779-F782 HydrophobicContact CZ3-CD1 3.79Å; W779-F782 HydrophobicContact CZ3-CD2 4.4Å; W779-F782 HydrophobicContact CZ3-CE1 4.03Å; W779-F782 AromaticContact CZ3-CG 3.99Å; W779-F782 HydrophobicContact CZ3-CG 3.99Å; W779-F782 HydrophobicContact CZ3-CZ 4.44Å; V780-F782 VanDerWaalsContact C-N 3.33Å; F782-V785 PolarHBondContact O-N 3.13Å; F782-Y786 HydrophobicContact CE1-CD2 4.33Å; F782-Y786 HydrophobicContact CE1-CG 4.13Å; F782-Y786 AromaticContact CE2-CD2 3.69Å; F782-Y786 HydrophobicContact CE2-CD2 3.69Å; F782-Y786 HydrophobicContact CE2-CG 4.1Å; F782-Y786 HydrophobicContact CZ-CD1 4.42Å; F782-Y786 AromaticContact CZ-CD2 3.4Å; F782-Y786 HydrophobicContact CZ-CD2 3.4Å; F782-Y786 HydrophobicContact CZ-CE2 4.03Å; F782-Y786 AromaticContact CZ-CG 3.62Å; F782-Y786 HydrophobicContact CZ-CG 3.62Å; F782-Y786 VanDerWaalsContact O-CB 3.23Å; F782-Y786 WeakPolarHBondContact O-CB 2.88Å; F782-Y786 PolarHBondContact O-N 3.11Å; F782-V803 HydrophobicContact CD2-CG1 4.19Å; F782-V803 HydrophobicContact CE2-CG1 4.12Å; F782-H804 HydrophobicContact CE2-CB 4.32Å; F782-H804 AromaticContact CE2-ND1 3.67Å; F782-H804 AromaticContact CZ-ND1 3.46Å; F782-H804 WeakPolarHBondContact CZ-ND1 3.45Å; F782-F807 HydrophobicContact CB-CD1 3.62Å; F782-F807 HydrophobicContact CB-CE1 3.99Å; F782-F807 HydrophobicContact CB-CG 4.08Å; F782-F807 HydrophobicContact CD2-CB 3.88Å; F782-F807 HydrophobicContact CD2-CD1 4.26Å; F782-F807 HydrophobicContact CD2-CD2 4.12Å; F782-F807 AromaticContact CD2-CG 3.82Å; F782-F807 HydrophobicContact CD2-CG 3.82Å; F782-F807 HydrophobicContact CG-CD1 4.43Å; F782-F807 HydrophobicContact CG-CG 4.42Å
783	I	83.4	Confident	78.3	Confident	104 Å²	104	67.1 Å²	67.1	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-56.5	-60.5	-175.3	-61.1	168.9	0	0	0	112	V780 I781 V785 Y786 T787	V780-I783 PolarHBondContact O-N 3.43Å; I781-I783 VanDerWaalsContact C-N 3.28Å; I781-I783 PolarHBondContact O-N 3.02Å; I783-V785 VanDerWaalsContact C-N 3.29Å; I783-V785 PolarHBondContact O-N 3.17Å; I783-Y786 PolarHBondContact O-N 2.88Å; I783-T787 PolarHBondContact O-N 3.43Å; I783-T787 PolarHBondContact O-OG1 3.35Å; I783-T787 VanDerWaalsContact O-OG1 3.06Å
784	P	81.3	Confident	76.3	Confident	76 Å²	76	67.2 Å²	67.2	49%	0.494	39%	0.391	S	S	.	.	H	α-helix	trans	-66	-29.4	-179.3	26.5	-35.6	0	0	0	113.1	V780 I781 G788	V780-P784 WeakPolarHBondContact O-CD 3.47Å; I781-P784 WeakPolarHBondContact O-CD 3.26Å; I781-P784 WeakPolarHBondContact O-CG 3.33Å; P784-G788 VanDerWaalsContact O-CA 3.24Å; P784-G788 WeakPolarHBondContact O-CA 2.98Å; P784-G788 PolarHBondContact O-N 3.08Å
785	V	82.1	Confident	74.3	Confident	48 Å²	48	66.6 Å²	66.6	29%	0.291	39%	0.391	S	S	.	.	H	α-helix	trans	-69.8	-43.9	176.2	177.7	0	0	0	0	110.4	I781 F782 I783 L789 V803 F807	I781-V785 HydrophobicContact CG2-CG2 4.2Å; I781-V785 WeakPolarHBondContact O-CG2 3.31Å; I781-V785 PolarHBondContact O-N 3.21Å; F782-V785 PolarHBondContact O-N 3.13Å; I783-V785 VanDerWaalsContact C-N 3.29Å; I783-V785 PolarHBondContact O-N 3.17Å; V785-L789 HydrophobicContact CG1-CD1 4.05Å; V785-L789 VanDerWaalsContact O-CD1 3.28Å; V785-L789 WeakPolarHBondContact O-CD1 3.43Å; V785-V803 HydrophobicContact CG1-CG1 3.81Å; V785-V803 HydrophobicContact CG1-CG2 4.13Å; V785-F807 HydrophobicContact CB-CE2 4.36Å; V785-F807 HydrophobicContact CB-CZ 4.25Å; V785-F807 HydrophobicContact CG1-CE2 4.1Å; V785-F807 HydrophobicContact CG1-CZ 4.41Å; V785-F807 HydrophobicContact CG2-CZ 4.07Å
786	Y	80.4	Confident	72.6	Confident	30 Å²	30	68.2 Å²	68.2	12%	0.118	40%	0.401	C	S	.	.	H	α-helix	trans	-68.3	-35.8	-179.5	-171.4	-95.6	0	0	0	113	L734 F782 I783 K800	L734-Y786 HydrophobicContact CD2-CE1 4.01Å; L734-Y786 HydrophobicContact CD2-CE2 4.24Å; F782-Y786 HydrophobicContact CE1-CD2 4.33Å; F782-Y786 HydrophobicContact CE1-CG 4.13Å; F782-Y786 AromaticContact CE2-CD2 3.69Å; F782-Y786 HydrophobicContact CE2-CD2 3.69Å; F782-Y786 HydrophobicContact CE2-CG 4.1Å; F782-Y786 HydrophobicContact CZ-CD1 4.42Å; F782-Y786 AromaticContact CZ-CD2 3.4Å; F782-Y786 HydrophobicContact CZ-CD2 3.4Å; F782-Y786 HydrophobicContact CZ-CE2 4.03Å; F782-Y786 AromaticContact CZ-CG 3.62Å; F782-Y786 HydrophobicContact CZ-CG 3.62Å; F782-Y786 VanDerWaalsContact O-CB 3.23Å; F782-Y786 WeakPolarHBondContact O-CB 2.88Å; F782-Y786 PolarHBondContact O-N 3.11Å; I783-Y786 PolarHBondContact O-N 2.88Å; Y786-K800 HydrophobicContact CE2-CB 4.13Å; Y786-K800 HydrophobicContact CE2-CG 4.31Å
787	T	76.3	Confident	70.9	Confident	98 Å²	98	68.1 Å²	68.1	60%	0.601	40%	0.4	S	S	*	.	H	α-helix	trans	-90	-29.1	179.6	61	0	0	0	0	114.1	I783	I783-T787 PolarHBondContact O-N 3.43Å; I783-T787 PolarHBondContact O-OG1 3.35Å; I783-T787 VanDerWaalsContact O-OG1 3.06Å
788	G	63.3	Low	69.3	Low	43 Å²	43	68 Å²	68	44%	0.443	39%	0.394	S	S	.	.	H	α-helix	trans	-97	-1.6	-168.4	0	0	0	0	0	116.3	P784 T790	P784-G788 VanDerWaalsContact O-CA 3.24Å; P784-G788 WeakPolarHBondContact O-CA 2.98Å; P784-G788 PolarHBondContact O-N 3.08Å; G788-T790 VanDerWaalsContact C-N 3.31Å; G788-T790 PolarHBondContact O-N 3.24Å; G788-T790 PolarHBondContact O-OG1 2.9Å
789	L	61	Low	68.1	Low	55 Å²	55	69.5 Å²	69.5	29%	0.288	40%	0.402	S	S	.	.			trans	-69.8	84.7	172.4	-91.3	153.7	0	0	0	110.4	V785 N799 V803	V785-L789 HydrophobicContact CG1-CD1 4.05Å; V785-L789 VanDerWaalsContact O-CD1 3.28Å; V785-L789 WeakPolarHBondContact O-CD1 3.43Å; L789-N799 HydrophobicContact CD1-CB 4.19Å; L789-N799 HydrophobicContact CD2-CB 4.48Å; L789-V803 HydrophobicContact CD1-CG2 3.81Å
790	T	50.2	Low	67.4	Low	136 Å²	136	72.7 Å²	72.7	83%	0.834	42%	0.416	S	S	*	.			trans	-106.3	58.7	179.5	37.5	0	0	0	0	112.6	G788	G788-T790 VanDerWaalsContact C-N 3.31Å; G788-T790 PolarHBondContact O-N 3.24Å; G788-T790 PolarHBondContact O-OG1 2.9Å
791	A	48	Very low	67	Low	64 Å²	64	69.5 Å²	69.5	53%	0.529	40%	0.398	S	S	.	.	S	Bend	trans	-133.2	124.1	166.3	0	0	0	0	0	110.2	T795 V796	A791-T795 PolarHBondContact O-OG1 2.8Å; A791-V796 WeakPolarHBondContact O-CG2 3.46Å
792	N	51.3	Low	66.7	Low	135 Å²	135	66.1 Å²	66.1	72%	0.722	38%	0.382	S	S	*	.			trans	42.9	123.4	176.9	-79	-19.7	0	0	0	117.6	L794 T795 V796	N792-L794 VanDerWaalsContact C-N 3.26Å; N792-L794 PolarHBondContact O-N 3.01Å; N792-T795 WeakPolarHBondContact CB-OG1 3.31Å; N792-T795 CarbonylContact O-C 3.4Å; N792-T795 WeakPolarHBondContact O-CA 3.33Å; N792-T795 PolarHBondContact O-N 3.36Å; N792-T795 PolarHBondContact O-OG1 3.46Å; N792-V796 VanDerWaalsContact O-CG2 3.31Å; N792-V796 WeakPolarHBondContact O-CG2 3.4Å; N792-V796 PolarHBondContact O-N 2.85Å
793	I	53.2	Low	66.6	Low	150 Å²	150	66.4 Å²	66.4	77%	0.769	39%	0.385	S	S	*	.	H	α-helix	trans	-51	-39.7	-174.5	-64.7	168.9	0	0	0	113.6	V796 S797	I793-V796 PolarHBondContact O-N 3.33Å; I793-S797 PolarHBondContact O-N 3.3Å; I793-S797 PolarHBondContact O-OG 3.16Å
794	L	49.4	Very low	66.8	Low	70 Å²	70	61.7 Å²	61.7	37%	0.366	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-45.5	177	-159.6	100.1	0	0	0	112.1	K722 N792 S797	K722-L794 WeakPolarHBondContact O-CD1 3.48Å; N792-L794 VanDerWaalsContact C-N 3.26Å; N792-L794 PolarHBondContact O-N 3.01Å; L794-S797 PolarHBondContact O-OG 3.21Å
795	T	52	Low	67.2	Low	58 Å²	58	58.2 Å²	58.2	36%	0.356	34%	0.338	S	S	.	.	H	α-helix	trans	-72.5	-31.3	176.5	42	0	0	0	0	111.9	A791 N792 S797 N799	A791-T795 PolarHBondContact O-OG1 2.8Å; N792-T795 WeakPolarHBondContact CB-OG1 3.31Å; N792-T795 CarbonylContact O-C 3.4Å; N792-T795 WeakPolarHBondContact O-CA 3.33Å; N792-T795 PolarHBondContact O-N 3.36Å; N792-T795 PolarHBondContact O-OG1 3.46Å; T795-S797 PolarHBondContact O-N 2.89Å; T795-N799 WeakPolarHBondContact O-CB 3.47Å; T795-N799 PolarHBondContact O-N 3.11Å; T795-N799 PolarHBondContact O-ND2 2.68Å; T795-N799 VanDerWaalsContact O-ND2 3.09Å; T795-N799 PolarHBondContact O-OD1 3.36Å
796	V	57.3	Low	67.6	Low	33 Å²	33	60.3 Å²	60.3	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-58.3	-48	177.5	172	0	0	0	0	111.5	A791 N792 I793 K800	A791-V796 WeakPolarHBondContact O-CG2 3.46Å; N792-V796 VanDerWaalsContact O-CG2 3.31Å; N792-V796 WeakPolarHBondContact O-CG2 3.4Å; N792-V796 PolarHBondContact O-N 2.85Å; I793-V796 PolarHBondContact O-N 3.33Å; V796-K800 HydrophobicContact CG1-CD 4.3Å; V796-K800 WeakPolarHBondContact O-CG 3.5Å; V796-K800 PolarHBondContact O-N 3.42Å; V796-K800 VanDerWaalsContact O-N 3.15Å
797	S	55.8	Low	68.1	Low	19 Å²	19	60.6 Å²	60.6	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-75.3	-41.9	-174.2	53.7	0	0	0	0	112.7	F724 I793 L794 T795 N799 K800	F724-S797 WeakPolarHBondContact CB-OG 3.47Å; I793-S797 PolarHBondContact O-N 3.3Å; I793-S797 PolarHBondContact O-OG 3.16Å; L794-S797 PolarHBondContact O-OG 3.21Å; T795-S797 PolarHBondContact O-N 2.89Å; S797-N799 VanDerWaalsContact C-N 3.29Å; S797-N799 PolarHBondContact O-N 3.14Å; S797-K800 PolarHBondContact O-N 3.29Å
798	K	59.6	Low	68.9	Low	71 Å²	71	56 Å²	56	31%	0.309	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-39.1	171.7	-171.8	178.6	175.5	-168.7	0	111.8	D572 F724 T802	D572-K798 WeakPolarHBondContact OD2-CE 3.28Å; D572-K798 IonicContact OD2-NZ 2.76Å; D572-K798 PolarHBondContact OD2-NZ 3.06Å; F724-K798 HydrophobicContact CD1-CB 4.26Å; F724-K798 HydrophobicContact CD2-CB 3.88Å; F724-K798 HydrophobicContact CD2-CG 4.05Å; F724-K798 HydrophobicContact CE1-CB 4.45Å; F724-K798 HydrophobicContact CE2-CB 4.09Å; F724-K798 HydrophobicContact CE2-CG 3.9Å; F724-K798 HydrophobicContact CG-CB 3.97Å; F724-K798 HydrophobicContact CZ-CB 4.37Å; F724-K798 HydrophobicContact CZ-CG 4.36Å; K798-T802 WeakPolarHBondContact O-CB 3.11Å; K798-T802 PolarHBondContact O-N 3.29Å; K798-T802 PolarHBondContact O-OG1 3.2Å
799	N	66.6	Low	70.2	Confident	59 Å²	59	55 Å²	55	32%	0.316	30%	0.299	S	S	.	.	H	α-helix	trans	-70.9	-34.7	-179.1	-69.2	-12.1	0	0	0	113	L789 T795 S797 T802 V803	L789-N799 HydrophobicContact CD1-CB 4.19Å; L789-N799 HydrophobicContact CD2-CB 4.48Å; T795-N799 WeakPolarHBondContact O-CB 3.47Å; T795-N799 PolarHBondContact O-N 3.11Å; T795-N799 PolarHBondContact O-ND2 2.68Å; T795-N799 VanDerWaalsContact O-ND2 3.09Å; T795-N799 PolarHBondContact O-OD1 3.36Å; S797-N799 VanDerWaalsContact C-N 3.29Å; S797-N799 PolarHBondContact O-N 3.14Å; N799-T802 PolarHBondContact O-N 3Å; N799-V803 VanDerWaalsContact O-CB 3.25Å; N799-V803 WeakPolarHBondContact O-CB 3.43Å; N799-V803 WeakPolarHBondContact O-CG2 3.47Å; N799-V803 PolarHBondContact O-N 3.15Å
800	K	77.6	Confident	71.8	Confident	80 Å²	80	54.2 Å²	54.2	35%	0.348	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-46.7	-177.6	-79.4	176.7	179.4	-178.5	0	113.8	Y786 V796 S797 H804	Y786-K800 HydrophobicContact CE2-CB 4.13Å; Y786-K800 HydrophobicContact CE2-CG 4.31Å; V796-K800 HydrophobicContact CG1-CD 4.3Å; V796-K800 WeakPolarHBondContact O-CG 3.5Å; V796-K800 PolarHBondContact O-N 3.42Å; V796-K800 VanDerWaalsContact O-N 3.15Å; S797-K800 PolarHBondContact O-N 3.29Å; K800-H804 PolarHBondContact O-N 3.36Å
801	S	80.9	Confident	73.8	Confident	31 Å²	31	47.7 Å²	47.7	22%	0.217	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-44	176.4	-63.4	0	0	0	0	111.1	H804 V805	S801-H804 PolarHBondContact O-N 2.03Å; S801-V805 PolarHBondContact O-N 2.9Å
802	T	82.8	Confident	75.9	Confident	14 Å²	14	44.7 Å²	44.7	9%	0.086	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-42.2	-179.1	-53.4	0	0	0	0	112.3	K798 N799 H804 V805 Y806	K798-T802 WeakPolarHBondContact O-CB 3.11Å; K798-T802 PolarHBondContact O-N 3.29Å; K798-T802 PolarHBondContact O-OG1 3.2Å; N799-T802 PolarHBondContact O-N 3Å; T802-H804 PolarHBondContact O-N 2.9Å; T802-V805 PolarHBondContact O-N 2.75Å; T802-Y806 HydrophobicContact CG2-CD2 3.81Å; T802-Y806 HydrophobicContact CG2-CE2 3.4Å; T802-Y806 VanDerWaalsContact O-CD2 3.23Å; T802-Y806 WeakPolarHBondContact O-CD2 3.38Å; T802-Y806 PolarHBondContact O-N 3.16Å
803	V	85.7	Confident	77.9	Confident	21 Å²	21	42 Å²	42	13%	0.127	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-45	175.9	163.8	0	0	0	0	110.9	F782 V785 L789 N799 V805 Y806 F807	F782-V803 HydrophobicContact CD2-CG1 4.19Å; F782-V803 HydrophobicContact CE2-CG1 4.12Å; V785-V803 HydrophobicContact CG1-CG1 3.81Å; V785-V803 HydrophobicContact CG1-CG2 4.13Å; L789-V803 HydrophobicContact CD1-CG2 3.81Å; N799-V803 VanDerWaalsContact O-CB 3.25Å; N799-V803 WeakPolarHBondContact O-CB 3.43Å; N799-V803 WeakPolarHBondContact O-CG2 3.47Å; N799-V803 PolarHBondContact O-N 3.15Å; V803-V805 VanDerWaalsContact C-N 3.29Å; V803-V805 PolarHBondContact O-N 2.82Å; V803-Y806 PolarHBondContact O-N 3.11Å; V803-F807 HydrophobicContact CG1-CD2 3.74Å; V803-F807 HydrophobicContact CG1-CE2 3.86Å; V803-F807 VanDerWaalsContact O-CD2 3.29Å; V803-F807 WeakPolarHBondContact O-CD2 3.26Å; V803-F807 PolarHBondContact O-N 3.21Å
804	H	87.8	Confident	79.7	Confident	5 Å²	5	35.4 Å²	35.4	2%	0.023	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-39.6	-179.9	-165.6	80.6	0	0	0	112.5	F628 L641 W779 F782 K800 S801 T802 T808	F628-H804 AromaticContact CZ-CD2 3.95Å; L641-H804 WeakPolarHBondContact CD2-NE2 3.33Å; W779-H804 AromaticContact CH2-CE1 3.97Å; F782-H804 HydrophobicContact CE2-CB 4.32Å; F782-H804 AromaticContact CE2-ND1 3.67Å; F782-H804 AromaticContact CZ-ND1 3.46Å; F782-H804 WeakPolarHBondContact CZ-ND1 3.45Å; K800-H804 PolarHBondContact O-N 3.36Å; S801-H804 PolarHBondContact O-N 2.03Å; T802-H804 PolarHBondContact O-N 2.9Å; H804-T808 WeakPolarHBondContact O-CB 3.32Å; H804-T808 PolarHBondContact O-N 3.15Å; H804-T808 PolarHBondContact O-OG1 3.4Å
805	V	90.1	Very high	81.8	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-49.3	176.4	174.1	0	0	0	0	111.3	I576 L625 F628 S801 T802 V803 F807 T808 L809	I576-V805 HydrophobicContact CD1-CG1 4.14Å; I576-V805 HydrophobicContact CG1-CG1 4.07Å; I576-V805 HydrophobicContact CG2-CG1 3.71Å; L625-V805 HydrophobicContact CB-CG1 4.46Å; L625-V805 HydrophobicContact CD2-CB 4.37Å; L625-V805 HydrophobicContact CD2-CG1 4.1Å; L625-V805 HydrophobicContact CD2-CG2 4.32Å; F628-V805 HydrophobicContact CB-CG2 3.82Å; F628-V805 HydrophobicContact CD1-CG2 3.83Å; F628-V805 HydrophobicContact CD2-CG2 4.06Å; F628-V805 HydrophobicContact CE1-CG2 4.43Å; F628-V805 HydrophobicContact CG-CG2 3.62Å; S801-V805 PolarHBondContact O-N 2.9Å; T802-V805 PolarHBondContact O-N 2.75Å; V803-V805 VanDerWaalsContact C-N 3.29Å; V803-V805 PolarHBondContact O-N 2.82Å; V805-F807 PolarHBondContact O-N 2.76Å; V805-T808 PolarHBondContact O-N 2.71Å; V805-L809 WeakPolarHBondContact O-CB 3.34Å; V805-L809 PolarHBondContact O-N 3Å
806	Y	89.9	Confident	83.7	Confident	91 Å²	91	29.4 Å²	29.4	36%	0.357	16%	0.155	S	C	.	.	H	α-helix	trans	-63.8	-42.2	-179	-76	-58	0	0	0	113.3	I576 T802 V803 L809 A810	I576-Y806 HydrophobicContact CG1-CE1 4.43Å; T802-Y806 HydrophobicContact CG2-CD2 3.81Å; T802-Y806 HydrophobicContact CG2-CE2 3.4Å; T802-Y806 VanDerWaalsContact O-CD2 3.23Å; T802-Y806 WeakPolarHBondContact O-CD2 3.38Å; T802-Y806 PolarHBondContact O-N 3.16Å; V803-Y806 PolarHBondContact O-N 3.11Å; Y806-L809 PolarHBondContact O-N 3.29Å; Y806-A810 WeakPolarHBondContact O-CB 3.07Å; Y806-A810 PolarHBondContact O-N 3.25Å
807	F	91.6	Very high	85.3	Confident	37 Å²	37	30.5 Å²	30.5	16%	0.162	16%	0.162	C	C	.	.	H	α-helix	trans	-69	-35.8	178.9	-85.2	-96.7	0	0	0	112.4	I778 I781 F782 V785 V803 V805 A810 G811	I778-F807 HydrophobicContact CG2-CD1 3.77Å; I778-F807 WeakPolarHBondContact O-CD1 3.01Å; I778-F807 WeakPolarHBondContact O-CE1 3.47Å; I781-F807 HydrophobicContact CB-CE1 4.02Å; I781-F807 HydrophobicContact CG2-CE1 3.77Å; I781-F807 HydrophobicContact CG2-CZ 3.88Å; F782-F807 HydrophobicContact CB-CD1 3.62Å; F782-F807 HydrophobicContact CB-CE1 3.99Å; F782-F807 HydrophobicContact CB-CG 4.08Å; F782-F807 HydrophobicContact CD2-CB 3.88Å; F782-F807 HydrophobicContact CD2-CD1 4.26Å; F782-F807 HydrophobicContact CD2-CD2 4.12Å; F782-F807 AromaticContact CD2-CG 3.82Å; F782-F807 HydrophobicContact CD2-CG 3.82Å; F782-F807 HydrophobicContact CG-CD1 4.43Å; F782-F807 HydrophobicContact CG-CG 4.42Å; V785-F807 HydrophobicContact CB-CE2 4.36Å; V785-F807 HydrophobicContact CB-CZ 4.25Å; V785-F807 HydrophobicContact CG1-CE2 4.1Å; V785-F807 HydrophobicContact CG1-CZ 4.41Å; V785-F807 HydrophobicContact CG2-CZ 4.07Å; V803-F807 HydrophobicContact CG1-CD2 3.74Å; V803-F807 HydrophobicContact CG1-CE2 3.86Å; V803-F807 VanDerWaalsContact O-CD2 3.29Å; V803-F807 WeakPolarHBondContact O-CD2 3.26Å; V803-F807 PolarHBondContact O-N 3.21Å; V805-F807 PolarHBondContact O-N 2.76Å; F807-A810 PolarHBondContact O-N 3.29Å; F807-G811 PolarHBondContact O-N 3.42Å
808	T	91.7	Very high	86.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-45	172.9	-61.2	0	0	0	0	111.2	L625 I644 H804 V805 G811 N812	L625-T808 HydrophobicContact CD1-CG2 4.46Å; L625-T808 HydrophobicContact CD2-CG2 3.8Å; L625-T808 HydrophobicContact CG-CG2 4.48Å; I644-T808 HydrophobicContact CG2-CG2 3.59Å; H804-T808 WeakPolarHBondContact O-CB 3.32Å; H804-T808 PolarHBondContact O-N 3.15Å; H804-T808 PolarHBondContact O-OG1 3.4Å; V805-T808 PolarHBondContact O-N 2.71Å; T808-G811 PolarHBondContact O-N 2.73Å; T808-N812 PolarHBondContact O-N 3.47Å
809	L	92.6	Very high	88.4	Confident	23 Å²	23	27.3 Å²	27.3	12%	0.12	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-45.2	177.1	-168.6	78.4	0	0	0	111.6	A579 V580 L583 L625 V805 Y806 G811 N812 L813	A579-L809 HydrophobicContact CB-CD2 3.43Å; A579-L809 VanDerWaalsContact CB-CD2 3.43Å; V580-L809 HydrophobicContact CG2-CD1 4.06Å; L583-L809 HydrophobicContact CB-CD1 4.2Å; L583-L809 HydrophobicContact CD2-CD1 3.58Å; L583-L809 HydrophobicContact CD2-CG 4.15Å; L625-L809 HydrophobicContact CD1-CB 4.45Å; L625-L809 HydrophobicContact CD1-CD1 4.11Å; V805-L809 WeakPolarHBondContact O-CB 3.34Å; V805-L809 PolarHBondContact O-N 3Å; Y806-L809 PolarHBondContact O-N 3.29Å; L809-G811 PolarHBondContact O-N 3.35Å; L809-N812 PolarHBondContact O-N 3.45Å; L809-L813 WeakPolarHBondContact O-CB 3.15Å; L809-L813 PolarHBondContact O-N 2.97Å
810	A	92.7	Very high	89.5	Confident	38 Å²	38	24.6 Å²	24.6	31%	0.314	13%	0.134	S	C	.	.	H	α-helix	trans	-61.8	-42.7	177.3	0	0	0	0	0	111.8	I778 Y806 F807 L813 G814	I778-A810 HydrophobicContact CD1-CB 4.08Å; I778-A810 WeakPolarHBondContact CD1-O 3.16Å; I778-A810 HydrophobicContact CG2-CB 4.28Å; Y806-A810 WeakPolarHBondContact O-CB 3.07Å; Y806-A810 PolarHBondContact O-N 3.25Å; F807-A810 PolarHBondContact O-N 3.29Å; A810-L813 PolarHBondContact O-N 3.4Å; A810-G814 PolarHBondContact O-N 3.19Å
811	G	92.7	Very high	90.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-45.9	176.2	0	0	0	0	0	112.4	F807 T808 L809 G814 L815	F807-G811 PolarHBondContact O-N 3.42Å; T808-G811 PolarHBondContact O-N 2.73Å; L809-G811 PolarHBondContact O-N 3.35Å; G811-G814 PolarHBondContact O-N 3.44Å; G811-L815 WeakPolarHBondContact O-CG 3.27Å; G811-L815 PolarHBondContact O-N 3.07Å; G811-L815 VanDerWaalsContact O-N 3.08Å
812	N	93.1	Very high	90.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-42.2	177.3	-71.2	-2	0	0	0	111.8	L583 Q648 T808 L809 L815 V816	L583-N812 HydrophobicContact CD2-CB 3.89Å; Q648-N812 PolarHBondContact NE2-OD1 3.47Å; Q648-N812 VanDerWaalsContact NE2-OD1 3.16Å; T808-N812 PolarHBondContact O-N 3.47Å; L809-N812 PolarHBondContact O-N 3.45Å; N812-L815 PolarHBondContact O-N 3.02Å; N812-V816 VanDerWaalsContact O-CG2 3.31Å; N812-V816 WeakPolarHBondContact O-CG2 3.29Å; N812-V816 PolarHBondContact O-N 3.49Å
813	L	93.3	Very high	90.6	Very high	80 Å²	80	24.8 Å²	24.8	42%	0.419	14%	0.135	S	C	.	.	H	α-helix	trans	-61.7	-44.5	175	177.9	67.1	0	0	0	111.4	L583 L809 A810 L815 V816 V817	L583-L813 HydrophobicContact CD1-CB 4.13Å; L583-L813 HydrophobicContact CD1-CD1 3.73Å; L583-L813 HydrophobicContact CD2-CB 4.28Å; L809-L813 WeakPolarHBondContact O-CB 3.15Å; L809-L813 PolarHBondContact O-N 2.97Å; A810-L813 PolarHBondContact O-N 3.4Å; L813-L815 VanDerWaalsContact C-N 3.34Å; L813-L815 PolarHBondContact O-N 2.94Å; L813-V816 PolarHBondContact O-N 3.29Å; L813-V817 HydrophobicContact CD1-CG2 3.61Å; L813-V817 HydrophobicContact CG-CG2 4.08Å; L813-V817 WeakPolarHBondContact O-CB 3.46Å; L813-V817 WeakPolarHBondContact O-CG2 3.43Å; L813-V817 PolarHBondContact O-N 2.99Å
814	G	91.6	Very high	90.7	Very high	10 Å²	10	24.5 Å²	24.5	10%	0.103	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-44.1	177.9	0	0	0	0	0	112.6	A810 G811 A818	A810-G814 PolarHBondContact O-N 3.19Å; G811-G814 PolarHBondContact O-N 3.44Å; G814-A818 VanDerWaalsContact O-CB 3.29Å; G814-A818 WeakPolarHBondContact O-CB 3.31Å; G814-A818 PolarHBondContact O-N 3.41Å; G814-A818 VanDerWaalsContact O-N 3.11Å
815	L	91.9	Very high	90.6	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-45	174.4	-71.3	173.3	0	0	0	111.8	L618 L652 I655 Y775 G811 N812 L813 Y819	L618-L815 HydrophobicContact CD2-CD1 4.03Å; L652-L815 HydrophobicContact CD2-CD1 4.25Å; L652-L815 HydrophobicContact CD2-CD2 4.24Å; I655-L815 HydrophobicContact CD1-CD2 4.2Å; Y775-L815 HydrophobicContact CD2-CD1 3.73Å; Y775-L815 HydrophobicContact CD2-CD2 4.32Å; Y775-L815 HydrophobicContact CD2-CG 3.9Å; Y775-L815 HydrophobicContact CE2-CD1 4Å; Y775-L815 HydrophobicContact CG-CD2 4.5Å; G811-L815 WeakPolarHBondContact O-CG 3.27Å; G811-L815 PolarHBondContact O-N 3.07Å; G811-L815 VanDerWaalsContact O-N 3.08Å; N812-L815 PolarHBondContact O-N 3.02Å; L813-L815 VanDerWaalsContact C-N 3.34Å; L813-L815 PolarHBondContact O-N 2.94Å; L815-Y819 WeakPolarHBondContact O-CB 3.34Å; L815-Y819 PolarHBondContact O-N 3.13Å; L815-Y819 VanDerWaalsContact O-N 3.14Å
816	V	92.2	Very high	90.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-51.7	-178.6	174.1	0	0	0	0	111.6	Q587 L618 N812 L813 Y820 F821	Q587-V816 HydrophobicContact CG-CG2 3.77Å; L618-V816 HydrophobicContact CD1-CG2 4.02Å; N812-V816 VanDerWaalsContact O-CG2 3.31Å; N812-V816 WeakPolarHBondContact O-CG2 3.29Å; N812-V816 PolarHBondContact O-N 3.49Å; L813-V816 PolarHBondContact O-N 3.29Å; V816-Y820 WeakPolarHBondContact O-CB 3.43Å; V816-Y820 PolarHBondContact O-N 3.06Å; V816-F821 HydrophobicContact CG1-CE1 4.29Å
817	V	90.8	Very high	90	Very high	57 Å²	57	27 Å²	27	35%	0.345	14%	0.144	S	C	.	.	H	α-helix	trans	-64.9	-50.7	-174.8	172.1	0	0	0	0	110.8	L813 F821	L813-V817 HydrophobicContact CD1-CG2 3.61Å; L813-V817 HydrophobicContact CG-CG2 4.08Å; L813-V817 WeakPolarHBondContact O-CB 3.46Å; L813-V817 WeakPolarHBondContact O-CG2 3.43Å; L813-V817 PolarHBondContact O-N 2.99Å; V817-F821 HydrophobicContact CB-CD2 4.37Å; V817-F821 HydrophobicContact CB-CE2 4.47Å; V817-F821 HydrophobicContact CG1-CD2 3.94Å; V817-F821 HydrophobicContact CG1-CE2 4.28Å; V817-F821 HydrophobicContact CG2-CD2 4.32Å; V817-F821 HydrophobicContact CG2-CE2 3.93Å; V817-F821 HydrophobicContact CG2-CZ 4.12Å; V817-F821 VanDerWaalsContact O-CB 3.27Å; V817-F821 WeakPolarHBondContact O-CB 3.48Å; V817-F821 PolarHBondContact O-N 3.34Å
818	A	90.6	Very high	89.6	Confident	17 Å²	17	32 Å²	32	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-74	-33.8	-174.3	0	0	0	0	0	113.1	F770 I774 G814	F770-A818 HydrophobicContact CB-CB 4.36Å; I774-A818 HydrophobicContact CD1-CB 3.95Å; G814-A818 VanDerWaalsContact O-CB 3.29Å; G814-A818 WeakPolarHBondContact O-CB 3.31Å; G814-A818 PolarHBondContact O-N 3.41Å; G814-A818 VanDerWaalsContact O-N 3.11Å
819	Y	90.1	Very high	89.1	Confident	5 Å²	5	38.2 Å²	38.2	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-86.5	-41.5	-178.1	-173.6	-98.1	0	0	0	113.4	S606 I768 L815 K823	S606-Y819 PolarHBondContact O-OH 3.31Å; I768-Y819 HydrophobicContact CD1-CE2 4.25Å; I768-Y819 HydrophobicContact CG1-CD2 3.88Å; I768-Y819 HydrophobicContact CG1-CE2 3.46Å; I768-Y819 VanDerWaalsContact CG1-CE2 3.46Å; L815-Y819 WeakPolarHBondContact O-CB 3.34Å; L815-Y819 PolarHBondContact O-N 3.13Å; L815-Y819 VanDerWaalsContact O-N 3.14Å; Y819-K823 VanDerWaalsContact CE1-NZ 3.32Å; Y819-K823 VanDerWaalsContact CE2-NZ 3.32Å; Y819-K823 VanDerWaalsContact CZ-NZ 3.26Å; Y819-K823 PolarHBondContact O-NZ 2.9Å
820	Y	90.4	Very high	88.3	Confident	2 Å²	2	41 Å²	41	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-98.7	-34.5	-170.2	-69.8	-82.6	0	0	0	114.6	V590 F594 T611 V614 L615 V816 K823 C824	V590-Y820 HydrophobicContact CG1-CD1 3.7Å; V590-Y820 HydrophobicContact CG1-CG 3.74Å; F594-Y820 HydrophobicContact CE1-CD1 4.09Å; F594-Y820 HydrophobicContact CE1-CE1 4.18Å; F594-Y820 HydrophobicContact CE2-CD1 4Å; F594-Y820 AromaticContact CZ-CD1 3.68Å; F594-Y820 HydrophobicContact CZ-CD1 3.68Å; F594-Y820 HydrophobicContact CZ-CE1 4.24Å; T611-Y820 HydrophobicContact CG2-CE1 3.51Å; T611-Y820 PolarHBondContact O-OH 3.48Å; V614-Y820 WeakPolarHBondContact CB-OH 3.23Å; V614-Y820 HydrophobicContact CG1-CE2 4.4Å; V614-Y820 VanDerWaalsContact CG1-OH 3.3Å; V614-Y820 WeakPolarHBondContact CG1-OH 3.33Å; L615-Y820 HydrophobicContact CD1-CE1 4.03Å; L615-Y820 HydrophobicContact CD2-CD1 4.5Å; L615-Y820 HydrophobicContact CD2-CD2 4.12Å; L615-Y820 HydrophobicContact CD2-CE1 4.15Å; L615-Y820 HydrophobicContact CD2-CE2 3.73Å; L615-Y820 HydrophobicContact CD2-CG 4.5Å; L615-Y820 HydrophobicContact CG-CE1 4.05Å; L615-Y820 HydrophobicContact CG-CE2 4.22Å; V816-Y820 WeakPolarHBondContact O-CB 3.43Å; V816-Y820 PolarHBondContact O-N 3.06Å; Y820-K823 WeakPolarHBondContact O-CB 3.17Å; Y820-K823 PolarHBondContact O-N 3.33Å; Y820-K823 VanDerWaalsContact O-N 3.09Å; Y820-C824 PolarHBondContact O-N 3.19Å; Y820-C824 PolarHBondContact O-SG 3.29Å
821	F	89.9	Confident	87.3	Confident	87 Å²	87	42.6 Å²	42.6	38%	0.382	22%	0.215	S	C	.	.	H	α-helix	trans	-63.2	-39.1	-175.3	-73.4	10.4	0	0	0	114	C586 V590 V816 V817 K823 C824 Y825	C586-F821 VanDerWaalsContact SG-CZ 3.59Å; V590-F821 HydrophobicContact CG2-CD1 4.41Å; V590-F821 HydrophobicContact CG2-CE1 4.1Å; V816-F821 HydrophobicContact CG1-CE1 4.29Å; V817-F821 HydrophobicContact CB-CD2 4.37Å; V817-F821 HydrophobicContact CB-CE2 4.47Å; V817-F821 HydrophobicContact CG1-CD2 3.94Å; V817-F821 HydrophobicContact CG1-CE2 4.28Å; V817-F821 HydrophobicContact CG2-CD2 4.32Å; V817-F821 HydrophobicContact CG2-CE2 3.93Å; V817-F821 HydrophobicContact CG2-CZ 4.12Å; V817-F821 VanDerWaalsContact O-CB 3.27Å; V817-F821 WeakPolarHBondContact O-CB 3.48Å; V817-F821 PolarHBondContact O-N 3.34Å; F821-K823 PolarHBondContact O-N 3.28Å; F821-C824 PolarHBondContact O-N 3.29Å; F821-Y825 WeakPolarHBondContact O-CB 3.03Å; F821-Y825 PolarHBondContact O-N 3.02Å
822	P	87.7	Confident	86.3	Confident	43 Å²	43	49.6 Å²	49.6	28%	0.279	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-36	173.5	-26	35.7	0	0	0	112.9	Y825 L826	P822-Y825 PolarHBondContact O-N 3.04Å; P822-L826 PolarHBondContact O-N 3.21Å; P822-L826 VanDerWaalsContact O-N 3.11Å
823	K	87.4	Confident	85.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-72.3	-43.1	178.2	-59.1	-174.3	178.5	86.9	0	111.8	F594 L602 S606 Y819 Y820 F821 Y825 L826 L827	F594-K823 HydrophobicContact CE1-CD 4.4Å; F594-K823 HydrophobicContact CE2-CB 4.41Å; F594-K823 HydrophobicContact CZ-CB 3.82Å; F594-K823 HydrophobicContact CZ-CD 3.95Å; L602-K823 HydrophobicContact CD1-CG 4.38Å; L602-K823 HydrophobicContact CD2-CB 4.21Å; S606-K823 WeakPolarHBondContact OG-CD 3.43Å; S606-K823 WeakPolarHBondContact OG-CE 3.18Å; Y819-K823 VanDerWaalsContact CE1-NZ 3.32Å; Y819-K823 VanDerWaalsContact CE2-NZ 3.32Å; Y819-K823 VanDerWaalsContact CZ-NZ 3.26Å; Y819-K823 PolarHBondContact O-NZ 2.9Å; Y820-K823 WeakPolarHBondContact O-CB 3.17Å; Y820-K823 PolarHBondContact O-N 3.33Å; Y820-K823 VanDerWaalsContact O-N 3.09Å; F821-K823 PolarHBondContact O-N 3.28Å; K823-Y825 VanDerWaalsContact C-N 3.31Å; K823-Y825 PolarHBondContact O-N 2.51Å; K823-L826 PolarHBondContact O-N 2.99Å; K823-L827 WeakPolarHBondContact O-CG 3.41Å; K823-L827 PolarHBondContact O-N 3.37Å
824	C	87.1	Confident	84.2	Confident	15 Å²	15	49 Å²	49	10%	0.101	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-42.4	172.6	-65.7	0	0	0	0	111.4	Y820 F821 L826 L827 F828	Y820-C824 PolarHBondContact O-N 3.19Å; Y820-C824 PolarHBondContact O-SG 3.29Å; F821-C824 PolarHBondContact O-N 3.29Å; C824-L826 VanDerWaalsContact C-N 3.31Å; C824-L826 PolarHBondContact O-N 3.23Å; C824-L827 PolarHBondContact O-N 3.48Å; C824-F828 HydrophobicContact CB-CE2 4.49Å; C824-F828 WeakPolarHBondContact O-CD2 3.29Å; C824-F828 PolarHBondContact O-N 3.03Å
825	Y	85.6	Confident	83.5	Confident	131 Å²	131	51 Å²	51	51%	0.514	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-41.7	176.8	178.3	-95.3	0	0	0	112	F821 P822 K823 F828 K829	F821-Y825 WeakPolarHBondContact O-CB 3.03Å; F821-Y825 PolarHBondContact O-N 3.02Å; P822-Y825 PolarHBondContact O-N 3.04Å; K823-Y825 VanDerWaalsContact C-N 3.31Å; K823-Y825 PolarHBondContact O-N 2.51Å; Y825-F828 PolarHBondContact O-N 3.04Å; Y825-K829 HydrophobicContact CD2-CD 4.38Å; Y825-K829 HydrophobicContact CE1-CD 4.26Å; Y825-K829 HydrophobicContact CE2-CB 4.43Å; Y825-K829 HydrophobicContact CE2-CD 3.47Å; Y825-K829 VanDerWaalsContact CE2-CD 3.47Å; Y825-K829 VanDerWaalsContact CZ-CD 3.41Å; Y825-K829 WeakPolarHBondContact O-CB 3.35Å; Y825-K829 PolarHBondContact O-N 3.26Å; Y825-K829 VanDerWaalsContact OH-CD 3.25Å; Y825-K829 WeakPolarHBondContact OH-CD 3.09Å; Y825-K829 PolarHBondContact OH-NZ 3.47Å
826	L	82.9	Confident	82.4	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-42.5	176.1	-168.1	144.9	0	0	0	112	L602 Y762 P822 K823 C824 F828 N830 Y838	L602-L826 HydrophobicContact CD2-CD2 4.17Å; Y762-L826 HydrophobicContact CD2-CD1 3.48Å; Y762-L826 VanDerWaalsContact CD2-CD1 3.48Å; Y762-L826 HydrophobicContact CE2-CD1 3.49Å; Y762-L826 VanDerWaalsContact CE2-CD1 3.49Å; P822-L826 PolarHBondContact O-N 3.21Å; P822-L826 VanDerWaalsContact O-N 3.11Å; K823-L826 PolarHBondContact O-N 2.99Å; C824-L826 VanDerWaalsContact C-N 3.31Å; C824-L826 PolarHBondContact O-N 3.23Å; L826-F828 PolarHBondContact O-N 2.86Å; L826-N830 CarbonylContact O-C 3.36Å; L826-N830 VanDerWaalsContact O-C 3.24Å; L826-N830 PolarHBondContact O-N 2.89Å; L826-Y838 HydrophobicContact CD1-CE1 4.01Å
827	L	83.4	Confident	81.1	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-38.3	177.8	-72.9	172	0	0	0	113.4	V593 H597 L602 K823 C824	V593-L827 HydrophobicContact CG1-CD1 3.94Å; H597-L827 HydrophobicContact CB-CD1 4.29Å; H597-L827 HydrophobicContact CB-CD2 4.12Å; L602-L827 HydrophobicContact CD2-CD1 4.02Å; L602-L827 HydrophobicContact CD2-CD2 3.66Å; L602-L827 HydrophobicContact CD2-CG 3.52Å; K823-L827 WeakPolarHBondContact O-CG 3.41Å; K823-L827 PolarHBondContact O-N 3.37Å; C824-L827 PolarHBondContact O-N 3.48Å
828	F	83.4	Confident	80.3	Confident	140 Å²	140	61.7 Å²	61.7	61%	0.614	31%	0.314	S	S	*	.	H	α-helix	trans	-86.2	-39.6	-177	-72.8	-59.9	0	0	0	114	V593 C824 Y825 L826	V593-F828 HydrophobicContact CG1-CE2 4.11Å; V593-F828 HydrophobicContact CG1-CZ 4.02Å; V593-F828 HydrophobicContact CG2-CE2 4.04Å; V593-F828 HydrophobicContact CG2-CZ 3.66Å; C824-F828 HydrophobicContact CB-CE2 4.49Å; C824-F828 WeakPolarHBondContact O-CD2 3.29Å; C824-F828 PolarHBondContact O-N 3.03Å; Y825-F828 PolarHBondContact O-N 3.04Å; L826-F828 PolarHBondContact O-N 2.86Å
829	K	81	Confident	79.4	Confident	131 Å²	131	61 Å²	61	57%	0.57	31%	0.307	S	S	*	.	H	α-helix	trans	-102	-30.2	-167.5	-159.6	178.4	177.3	178.3	0	114	Y825 P831	Y825-K829 HydrophobicContact CD2-CD 4.38Å; Y825-K829 HydrophobicContact CE1-CD 4.26Å; Y825-K829 HydrophobicContact CE2-CB 4.43Å; Y825-K829 HydrophobicContact CE2-CD 3.47Å; Y825-K829 VanDerWaalsContact CE2-CD 3.47Å; Y825-K829 VanDerWaalsContact CZ-CD 3.41Å; Y825-K829 WeakPolarHBondContact O-CB 3.35Å; Y825-K829 PolarHBondContact O-N 3.26Å; Y825-K829 VanDerWaalsContact OH-CD 3.25Å; Y825-K829 WeakPolarHBondContact OH-CD 3.09Å; Y825-K829 PolarHBondContact OH-NZ 3.47Å; K829-P831 VanDerWaalsContact C-CD 3.46Å
830	N	75.6	Confident	78.2	Confident	81 Å²	81	62 Å²	62	43%	0.433	32%	0.315	S	S	.	.			trans	-130.6	59.7	-179.1	-69.2	-14.8	0	0	0	111.4	L826 D832 S833	L826-N830 CarbonylContact O-C 3.36Å; L826-N830 VanDerWaalsContact O-C 3.24Å; L826-N830 PolarHBondContact O-N 2.89Å; N830-D832 PolarHBondContact O-N 3.41Å; N830-S833 PolarHBondContact O-N 2.98Å
831	P	73.6	Confident	77	Confident	72 Å²	72	62.3 Å²	62.3	47%	0.468	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-61.7	-27.5	-178.3	26.7	-34.7	0	0	0	112.8	K829 S833 N834	K829-P831 VanDerWaalsContact C-CD 3.46Å; P831-S833 PolarHBondContact O-N 3.2Å; P831-N834 WeakPolarHBondContact O-CB 3.42Å; P831-N834 PolarHBondContact O-N 3.22Å
832	D	70.3	Confident	75.9	Confident	147 Å²	147	59.7 Å²	59.7	79%	0.786	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-66.7	-18.4	-179.6	-55	-36.8	0	0	0	113.4	N830 N834	N830-D832 PolarHBondContact O-N 3.41Å; D832-N834 VanDerWaalsContact C-N 3.31Å
833	S	67.7	Low	74.6	Confident	41 Å²	41	60.4 Å²	60.4	29%	0.287	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-85.3	1	174.5	-55.8	0	0	0	0	113.3	N830 P831 T835 Y838	N830-S833 PolarHBondContact O-N 2.98Å; P831-S833 PolarHBondContact O-N 3.2Å; S833-T835 VanDerWaalsContact C-N 3.26Å; S833-T835 PolarHBondContact O-N 2.91Å; S833-T835 VanDerWaalsContact O-N 3.13Å; S833-Y838 VanDerWaalsContact O-CB 3.32Å; S833-Y838 WeakPolarHBondContact O-CB 3.41Å; S833-Y838 WeakPolarHBondContact O-CD1 3.35Å; S833-Y838 VanDerWaalsContact O-CG 3.27Å
834	N	75.8	Confident	73.4	Confident	28 Å²	28	66.4 Å²	66.4	15%	0.15	34%	0.335	C	S	.	.			trans	-88.2	50.5	-177.3	-163.4	7	0	0	0	112.7	T600 P601 L602 P831 D832	T600-N834 WeakPolarHBondContact CB-ND2 3.36Å; T600-N834 WeakPolarHBondContact CG2-ND2 3.46Å; P601-N834 WeakPolarHBondContact CD-OD1 3.45Å; L602-N834 WeakPolarHBondContact CB-OD1 3.46Å; L602-N834 PolarHBondContact N-OD1 3.25Å; L602-N834 VanDerWaalsContact N-OD1 3.12Å; P831-N834 WeakPolarHBondContact O-CB 3.42Å; P831-N834 PolarHBondContact O-N 3.22Å; D832-N834 VanDerWaalsContact C-N 3.31Å
835	T	75.4	Confident	72	Confident	51 Å²	51	66.1 Å²	66.1	31%	0.313	33%	0.334	S	S	.	.	S	Bend	trans	-99.7	155.2	179.5	63.9	0	0	0	0	111.5	S833 E837 Y838 F839	S833-T835 VanDerWaalsContact C-N 3.26Å; S833-T835 PolarHBondContact O-N 2.91Å; S833-T835 VanDerWaalsContact O-N 3.13Å; T835-E837 PolarHBondContact O-N 3.24Å; T835-Y838 PolarHBondContact O-N 3.11Å; T835-Y838 PolarHBondContact OG1-N 2.98Å; T835-F839 WeakPolarHBondContact O-CD2 3.47Å
836	P	70.3	Confident	70.8	Confident	73 Å²	73	63.3 Å²	63.3	47%	0.474	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.5	175.3	-24.5	34.3	0	0	0	113	P601 Y838 F839 C840	P601-P836 HydrophobicContact CG-CG 4.1Å; P836-Y838 VanDerWaalsContact C-N 3.34Å; P836-Y838 PolarHBondContact O-N 3.31Å; P836-F839 CarbonylContact O-C 3.53Å; P836-F839 PolarHBondContact O-N 3.4Å; P836-F839 VanDerWaalsContact O-N 3.12Å; P836-C840 WeakPolarHBondContact O-CA 3.31Å; P836-C840 PolarHBondContact O-N 2.92Å
837	E	64.8	Low	69.5	Low	145 Å²	145	65.8 Å²	65.8	68%	0.678	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-62.2	-37.5	179.5	-66.6	142.4	-170.4	0	0	112.8	T835 F839 C840	T835-E837 PolarHBondContact O-N 3.24Å; E837-F839 PolarHBondContact O-N 3.29Å; E837-C840 PolarHBondContact O-N 3.36Å
838	Y	72.4	Confident	68.2	Low	66 Å²	66	67 Å²	67	26%	0.259	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-68.7	-16.4	178.4	-165.2	-111.6	0	0	0	113.1	H760 Q761 Y762 L826 S833 T835 P836	H760-Y838 WeakPolarHBondContact O-CD2 3.4Å; Q761-Y838 WeakPolarHBondContact CB-O 3.42Å; Y762-Y838 AromaticContact CD2-CE1 3.95Å; Y762-Y838 HydrophobicContact CD2-CE1 3.95Å; Y762-Y838 HydrophobicContact CG-CE1 4.23Å; Y762-Y838 PolarHBondContact N-O 3.09Å; Y762-Y838 VanDerWaalsContact N-O 3.17Å; L826-Y838 HydrophobicContact CD1-CE1 4.01Å; S833-Y838 VanDerWaalsContact O-CB 3.32Å; S833-Y838 WeakPolarHBondContact O-CB 3.41Å; S833-Y838 WeakPolarHBondContact O-CD1 3.35Å; S833-Y838 VanDerWaalsContact O-CG 3.27Å; T835-Y838 PolarHBondContact O-N 3.11Å; T835-Y838 PolarHBondContact OG1-N 2.98Å; P836-Y838 VanDerWaalsContact C-N 3.34Å; P836-Y838 PolarHBondContact O-N 3.31Å
839	F	73.1	Confident	66.8	Low	2 Å²	2	65.6 Å²	65.6	1%	0.009	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-122.6	11.7	177.6	-60.5	-81.8	0	0	0	113.7	P601 L602 A605 Y762 T835 P836 E837 T841 F842 L843	P601-F839 HydrophobicContact CB-CD2 4Å; L602-F839 HydrophobicContact CB-CE1 4.38Å; L602-F839 HydrophobicContact CB-CE2 3.99Å; L602-F839 HydrophobicContact CB-CZ 3.79Å; L602-F839 HydrophobicContact CD1-CE1 3.44Å; L602-F839 VanDerWaalsContact CD1-CE1 3.44Å; L602-F839 HydrophobicContact CD1-CE2 4.41Å; L602-F839 HydrophobicContact CD1-CZ 3.38Å; L602-F839 HydrophobicContact CG-CZ 4.15Å; A605-F839 HydrophobicContact CB-CB 3.96Å; A605-F839 HydrophobicContact CB-CD1 3.93Å; A605-F839 HydrophobicContact CB-CG 4.12Å; Y762-F839 AromaticContact CD1-CE1 3.77Å; Y762-F839 HydrophobicContact CD1-CE1 3.77Å; Y762-F839 HydrophobicContact CD2-CE1 4.34Å; Y762-F839 HydrophobicContact CG-CD1 4.42Å; Y762-F839 AromaticContact CG-CE1 3.56Å; Y762-F839 HydrophobicContact CG-CE1 3.56Å; Y762-F839 HydrophobicContact CG-CZ 4.18Å; T835-F839 WeakPolarHBondContact O-CD2 3.47Å; P836-F839 CarbonylContact O-C 3.53Å; P836-F839 PolarHBondContact O-N 3.4Å; P836-F839 VanDerWaalsContact O-N 3.12Å; E837-F839 PolarHBondContact O-N 3.29Å; F839-T841 VanDerWaalsContact C-N 3.31Å; F839-T841 PolarHBondContact O-N 3.31Å; F839-F842 PolarHBondContact O-N 2.98Å; F839-L843 HydrophobicContact CB-CD1 4.02Å; F839-L843 HydrophobicContact CB-CG 4.34Å; F839-L843 PolarHBondContact O-N 3.33Å; F839-L843 VanDerWaalsContact O-N 3.13Å
840	C	65.4	Low	65.2	Low	26 Å²	26	64.2 Å²	64.2	18%	0.176	36%	0.363	C	S	.	.	H	α-helix	trans	-55.9	-39.7	-170.1	-108.4	0	0	0	0	113.6	P836 E837 F842 L843 E844	P836-C840 WeakPolarHBondContact O-CA 3.31Å; P836-C840 PolarHBondContact O-N 2.92Å; E837-C840 PolarHBondContact O-N 3.36Å; C840-F842 PolarHBondContact O-N 3.05Å; C840-F842 VanDerWaalsContact O-N 3.17Å; C840-L843 PolarHBondContact O-N 3.21Å; C840-E844 WeakPolarHBondContact O-CB 3.39Å; C840-E844 PolarHBondContact O-N 3.31Å; C840-E844 PolarHBondContact SG-OE2 3.24Å
841	T	64.6	Low	63.6	Low	9 Å²	9	65.1 Å²	65.1	6%	0.055	37%	0.373	C	S	.	.	H	α-helix	trans	-57	-32.6	177.2	-62.2	0	0	0	0	112.8	Q761 F839 G845 V846	Q761-T841 PolarHBondContact NE2-OG1 3.48Å; Q761-T841 VanDerWaalsContact OE1-CB 3.22Å; Q761-T841 PolarHBondContact OE1-OG1 2.9Å; F839-T841 VanDerWaalsContact C-N 3.31Å; F839-T841 PolarHBondContact O-N 3.31Å; T841-G845 VanDerWaalsContact O-CA 3.3Å; T841-G845 WeakPolarHBondContact O-CA 3.36Å; T841-G845 PolarHBondContact O-N 3.09Å; T841-V846 WeakPolarHBondContact CG2-O 3.48Å; T841-V846 PolarHBondContact OG1-O 3Å
842	F	66.4	Low	61.9	Low	32 Å²	32	70.7 Å²	70.7	14%	0.14	39%	0.393	C	S	.	.	H	α-helix	trans	-90.8	-32.6	-178.1	-53.9	-76.7	0	0	0	112.6	A605 I662 Q680 Y762 L764 F839 C840	A605-F842 HydrophobicContact CB-CB 4.17Å; I662-F842 HydrophobicContact CD1-CE1 4.49Å; I662-F842 HydrophobicContact CG1-CD1 4.43Å; I662-F842 HydrophobicContact CG1-CE1 4.26Å; Q680-F842 PolarHBondContact NE2-O 3.13Å; Q680-F842 VanDerWaalsContact NE2-O 3.08Å; Y762-F842 VanDerWaalsContact O-CE2 3.26Å; Y762-F842 WeakPolarHBondContact O-CE2 3.48Å; L764-F842 HydrophobicContact CB-CE1 4.02Å; L764-F842 HydrophobicContact CB-CE2 4.37Å; L764-F842 HydrophobicContact CB-CZ 3.93Å; L764-F842 HydrophobicContact CD2-CD1 4.18Å; L764-F842 HydrophobicContact CD2-CE1 4.4Å; F839-F842 PolarHBondContact O-N 2.98Å; C840-F842 PolarHBondContact O-N 3.05Å; C840-F842 VanDerWaalsContact O-N 3.17Å
843	L	59.7	Low	60.4	Low	57 Å²	57	72.2 Å²	72.2	30%	0.298	40%	0.395	S	S	.	.	H	α-helix	trans	-82.3	-31.4	-179.6	-66.5	172	0	0	0	113	P601 K604 A605 F839 C840	P601-L843 HydrophobicContact CB-CD1 4.21Å; K604-L843 HydrophobicContact CB-CD2 3.97Å; A605-L843 HydrophobicContact CB-CD2 4.19Å; A605-L843 HydrophobicContact CB-CG 4.34Å; F839-L843 HydrophobicContact CB-CD1 4.02Å; F839-L843 HydrophobicContact CB-CG 4.34Å; F839-L843 PolarHBondContact O-N 3.33Å; F839-L843 VanDerWaalsContact O-N 3.13Å; C840-L843 PolarHBondContact O-N 3.21Å
844	E	62.2	Low	58.7	Low	127 Å²	127	79.7 Å²	79.7	59%	0.593	43%	0.426	S	S	*	.	H	α-helix	trans	-123	-10.3	-171.3	-61.1	-179.4	163.1	0	0	113.8	C840 V846	C840-E844 WeakPolarHBondContact O-CB 3.39Å; C840-E844 PolarHBondContact O-N 3.31Å; C840-E844 PolarHBondContact SG-OE2 3.24Å; E844-V846 HydrophobicContact CB-CG2 4.1Å
845	G	58.5	Low	56.6	Low	8 Å²	8	84.3 Å²	84.3	8%	0.082	45%	0.454	C	S	.	.			trans	73.7	22.4	176.9	0	0	0	0	0	115	T841	T841-G845 VanDerWaalsContact O-CA 3.3Å; T841-G845 WeakPolarHBondContact O-CA 3.36Å; T841-G845 PolarHBondContact O-N 3.09Å
846	V	60.1	Low	54.5	Low	73 Å²	73	90.9 Å²	90.9	44%	0.442	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-76	128.4	177.5	-176.6	0	0	0	0	109.2	T841 E844	T841-V846 WeakPolarHBondContact CG2-O 3.48Å; T841-V846 PolarHBondContact OG1-O 3Å; E844-V846 HydrophobicContact CB-CG2 4.1Å
847	P	56	Low	52.6	Low	64 Å²	64	95.5 Å²	95.5	42%	0.416	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-64.8	149.5	-179.1	24.8	-32.5	0	0	0	112	P669 T849	P669-P847 HydrophobicContact CB-CB 3.99Å; P669-P847 HydrophobicContact CB-CG 4.14Å; P669-P847 HydrophobicContact CG-CB 4.17Å; P669-P847 HydrophobicContact CG-CG 4.49Å; P847-T849 PolarHBondContact O-N 3.33Å
848	P	55.5	Low	51.1	Low	33 Å²	33	97.5 Å²	97.5	21%	0.214	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-62.3	127.7	176.9	24.4	-32	0	0	0	111	P758	P758-P848 HydrophobicContact CB-CB 4Å
849	T	53.6	Low	49.1	Very low	112 Å²	112	100 Å²	100	69%	0.687	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-68.2	125.5	175.3	-29.8	0	0	0	0	109.6	P847	P847-T849 PolarHBondContact O-N 3.33Å
850	P	49.1	Very low	47.1	Very low	102 Å²	102	105.3 Å²	105.3	66%	0.662	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-66.2	152.2	173.3	26.1	-31.4	0	0	0	110.6	Q852	P850-Q852 PolarHBondContact O-N 3.42Å
851	P	40.9	Very low	45.6	Very low	99 Å²	99	108.4 Å²	108.4	64%	0.643	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-59.9	123	179.5	17.4	-23.1	0	0	0	110.8
852	Q	38.9	Very low	44.1	Very low	189 Å²	189	114 Å²	114	88%	0.883	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-77.2	127.4	166.1	-82.8	-176.5	-45.2	0	0	109.1	P850 E854	P850-Q852 PolarHBondContact O-N 3.42Å; Q852-E854 PolarHBondContact O-N 3.14Å
853	E	37.9	Very low	42.4	Very low	180 Å²	180	125.6 Å²	125.6	84%	0.841	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-57.7	127.7	160.6	-79.8	173.9	140.9	0	0	109.5	V855	E853-V855 PolarHBondContact O-N 2.86Å; E853-V855 VanDerWaalsContact O-N 3.07Å
854	E	31.6	Very low	41.5	Very low	198 Å²	198	129 Å²	129	93%	0.925	72%	0.715	S	S	*	*			trans	-64.9	103.1	164.2	-81.9	-177.7	152	0	0	109.2	Q852	Q852-E854 PolarHBondContact O-N 3.14Å
855	V	32.3	Very low	40.4	Very low	124 Å²	124	129.1 Å²	129.1	75%	0.752	72%	0.722	S	S	*	*			trans	-90.6	105.9	165.7	176.9	0	0	0	0	108.2	E853	E853-V855 PolarHBondContact O-N 2.86Å; E853-V855 VanDerWaalsContact O-N 3.07Å
856	Q	31.6	Very low	39.4	Very low	190 Å²	190	135.8 Å²	135.8	89%	0.888	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-68.7	131.4	165	-88.7	-176.8	-27	0	0	110.5
857	L	31.1	Very low	38.2	Very low	170 Å²	170	139.5 Å²	139.5	89%	0.89	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-64.1	142.1	176.9	-121.6	90.8	0	0	0	112.7
858	Q	31.5	Very low	37.1	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-53.6	148.8	169.2	-75.1	163.4	-69.1	0	0	114.6
859	S	31	Very low	35.9	Very low	120 Å²	120	151.7 Å²	151.7	84%	0.839	84%	0.837	S	S	*	*				-161.9	120.6	122.4	64.7	0	0	0	0	111.9
860	S	30.6	Very low	34.6	Very low	112 Å²	112	154.5 Å²	154.5	78%	0.783	85%	0.848	S	S	*	*			trans	-87.7	155.4	163.6	53.1	0	0	0	0	111.7
861	A	33.7	Very low	33.5	Very low	92 Å²	92	158.5 Å²	158.5	76%	0.76	86%	0.862	S	S	*	*			trans	97.7	132.2	158.5	0	0	0	0	0	117.1
862	C	33.1	Very low	32.9	Very low	127 Å²	127	163.5 Å²	163.5	86%	0.858	88%	0.881	S	S	*	*			cis	-165.1	131.8	-8.6	-113.3	0	0	0	0	107.4
863	E	31.3	Very low	32.3	Very low	274 Å²	274	161.2 Å²	161.2	100%	1.28	88%	0.881	S	S	*	*			trans	-168.9	0	132.6	-118.8	-178.4	178.4	0	0	109.1

Retrieved 863 of 863 residues in 189.8 ms (Link to these results)

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