A0A060XBT5_ONCMY Loading...

Xylosyltransferase 2

Catalyzes the first step in the biosynthesis of chondroitin sulfate, heparan sulfate and dermatan sulfate proteoglycans, such as DCN. Transfers D-xylose from UDP-D-xylose to specific serine residues of the core protein.

AlphaFold DB , UniProt , Accession A0A060XBT5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538534, Length 877 aa.

						>A0A060XBT5_ONCMY|A0A060XBT5|LOC110538534
MVASVRVQKLLRRYKLAIAAALTILLIQGLVVWSLRSLEEGEAERKTRRSKLPDHNSQDPKREAVAWERQNALSGRSGARWNSRLERTGATAASALQRGTKHRGKHTIRVKMPLGQGVAVDGVPPHDPSSSRNFTDTRGGGEGAARLPPPAMPGEPGSVEGAPQAPSSDFVPKCDIMGKDALSALHRAGSRQCRQEIANIVCQHQAGQLMPRALPQFCPLHGFSSPVQTADELDNDPSKVENPVRVAFVLVVHGRAIRQLKRLIKAIYHRDHFYYIHVDKRSNYLHREVQQIAQQYPNVRATPWRMVTIWGGASLLKAYLHSMQDLLSMLDWNWDFFINLSATDFPTRTNDELVAFLSQHRDQNFLKSHGRENARFIKKQGLDRLFHECDNHMWRLGERTIPEGLEVSGGSDWFSLTRRFVEYVINSQDELVAGLKQFYTYALLPAESFFHTVLGNSHMCDSLVDNNLRVTNWNRKLGCKCQYKHIVDWCGCSPNDFKPQDLVRIQQLTRPTFFARKFESTVNQEAIDILDTHLYGHYAPGTVAIKAYWESLFERADGVGSLSDVALTAYSSFFRLGLRSLESSQTSLETCRYEPIGYPVSVHLYFYDERFQGYLVRQEVQKVGSRVRETVEVWAVPQATMQLENNLREFERLKNLEVGTEWDPKERIFRNFGGVIGPLDEPVAVQKWVRGPNLTATIVWIDPAQTVAASYDIGVDVDAEYTQYKPPLQRPLRPGAWTVRVLRLWERVAEARFLVMPLAFKGREPLRQEEDSWLHAGPPGNLYLEQGFQQLRSVLKLPPQEPALQEAQQRAQLVGKPLEAWVDRTVGAFWVTGDLCSTLPSPGPCPSLGPCTKSTWSSLAPDPKSELGPVKGDGRIR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.8	Very low	52.4	Low	236 Å²	236	123.8 Å²	123.8	100%	1.163	65%	0.652	S	S	*	*				0	76.9	0	-68.8	175	-101	0	0	111.1
2	V	48.7	Very low	53.2	Low	112 Å²	112	131.1 Å²	131.1	68%	0.679	66%	0.664	S	S	*	*			trans	-125.2	-28.7	-174.2	-174.5	0	0	0	0	114.2
3	A	43.8	Very low	54	Low	78 Å²	78	137.5 Å²	137.5	65%	0.645	68%	0.675	S	S	*	*	H	α-helix	trans	-63.5	-44.3	-177.5	0	0	0	0	0	114	V5 R6 V7	A3-V5 VanDerWaalsContact C-N 3.35Å; A3-V5 PolarHBondContact O-N 2.78Å; A3-R6 PolarHBondContact O-N 2.75Å; A3-V7 PolarHBondContact O-N 2.86Å
4	S	54.3	Low	55	Low	77 Å²	77	137.4 Å²	137.4	54%	0.538	67%	0.665	S	S	.	*	H	α-helix	trans	-57	-41.8	-172.9	-176.5	0	0	0	0	113.7	R6 V7 Q8	S4-R6 VanDerWaalsContact C-N 3.33Å; S4-R6 PolarHBondContact O-N 2.68Å; S4-V7 PolarHBondContact O-N 3.17Å; S4-Q8 PolarHBondContact O-N 3.27Å; S4-Q8 VanDerWaalsContact O-N 3.1Å
5	V	53.2	Low	56.1	Low	88 Å²	88	138.3 Å²	138.3	53%	0.533	66%	0.664	S	S	.	*	H	α-helix	trans	-67.2	-32	-176.7	-175.4	0	0	0	0	112.2	A3 K9	A3-V5 VanDerWaalsContact C-N 3.35Å; A3-V5 PolarHBondContact O-N 2.78Å; V5-K9 PolarHBondContact O-N 3.5Å
6	R	52.1	Low	57	Low	200 Å²	200	139 Å²	139	76%	0.755	67%	0.672	S	S	*	*	H	α-helix	trans	-70.2	-42.6	175.4	-74.3	-171.9	173.9	-170.9	-1.4	111.4	A3 S4 K9 L10	A3-R6 PolarHBondContact O-N 2.75Å; S4-R6 VanDerWaalsContact C-N 3.33Å; S4-R6 PolarHBondContact O-N 2.68Å; R6-K9 PolarHBondContact O-N 3.03Å; R6-L10 PolarHBondContact O-N 3.4Å
7	V	57.9	Low	58	Low	87 Å²	87	134.1 Å²	134.1	53%	0.527	66%	0.659	S	S	.	*	H	α-helix	trans	-62.4	-44.1	178	179.4	0	0	0	0	111.3	A3 S4 K9 L10 L11	A3-V7 PolarHBondContact O-N 2.86Å; S4-V7 PolarHBondContact O-N 3.17Å; V7-K9 PolarHBondContact O-N 3.11Å; V7-L10 WeakPolarHBondContact O-CB 3.44Å; V7-L10 PolarHBondContact O-N 2.99Å; V7-L11 HydrophobicContact CG1-CD1 4.16Å; V7-L11 PolarHBondContact O-N 2.57Å
8	Q	52.2	Low	59.2	Low	121 Å²	121	131.5 Å²	131.5	57%	0.565	65%	0.648	S	S	*	*	H	α-helix	trans	-64.6	-35.9	176.6	-71	-172.5	-12.7	0	0	113.3	S4 R12	S4-Q8 PolarHBondContact O-N 3.27Å; S4-Q8 VanDerWaalsContact O-N 3.1Å; Q8-R12 WeakPolarHBondContact O-CG 3.46Å; Q8-R12 PolarHBondContact O-N 3.42Å; Q8-R12 VanDerWaalsContact O-N 3.12Å
9	K	54.9	Low	60.2	Low	155 Å²	155	127.2 Å²	127.2	67%	0.674	64%	0.635	S	S	*	*	H	α-helix	trans	-67.8	-35.3	172.5	-85.7	-175	172.7	-179.8	0	112.5	V5 R6 V7 R13	V5-K9 PolarHBondContact O-N 3.5Å; R6-K9 PolarHBondContact O-N 3.03Å; V7-K9 PolarHBondContact O-N 3.11Å; K9-R13 PolarHBondContact O-N 3.1Å
10	L	55.6	Low	61.2	Low	107 Å²	107	123.1 Å²	123.1	56%	0.56	62%	0.622	S	S	*	*	H	α-helix	trans	-65.5	-50.1	175.3	-137.7	81.1	0	0	0	111.3	R6 V7 R12 R13 Y14	R6-L10 PolarHBondContact O-N 3.4Å; V7-L10 WeakPolarHBondContact O-CB 3.44Å; V7-L10 PolarHBondContact O-N 2.99Å; L10-R12 VanDerWaalsContact C-N 3.28Å; L10-R12 PolarHBondContact O-N 3Å; L10-R13 PolarHBondContact O-N 3.22Å; L10-Y14 HydrophobicContact CD1-CE2 4.48Å; L10-Y14 HydrophobicContact CD2-CE2 4.4Å; L10-Y14 HydrophobicContact CG-CD2 4.07Å; L10-Y14 HydrophobicContact CG-CE2 3.96Å; L10-Y14 WeakPolarHBondContact O-CD2 3.14Å; L10-Y14 PolarHBondContact O-N 3.28Å
11	L	54.3	Low	62	Low	101 Å²	101	119.7 Å²	119.7	53%	0.529	61%	0.612	S	S	.	*	H	α-helix	trans	-58.9	-35.6	177.2	-83.2	163.9	0	0	0	112.9	V7 K15	V7-L11 HydrophobicContact CG1-CD1 4.16Å; V7-L11 PolarHBondContact O-N 2.57Å; L11-K15 WeakPolarHBondContact O-CB 3.48Å; L11-K15 WeakPolarHBondContact O-CG 3.28Å; L11-K15 PolarHBondContact O-N 3.38Å; L11-K15 VanDerWaalsContact O-N 3.13Å
12	R	61.4	Low	63.5	Low	211 Å²	211	113.5 Å²	113.5	80%	0.796	58%	0.584	S	S	*	*	H	α-helix	trans	-68.3	-34.6	173.7	-77.1	-172.7	179.8	-163	1.4	113.3	Q8 L10	Q8-R12 WeakPolarHBondContact O-CG 3.46Å; Q8-R12 PolarHBondContact O-N 3.42Å; Q8-R12 VanDerWaalsContact O-N 3.12Å; L10-R12 VanDerWaalsContact C-N 3.28Å; L10-R12 PolarHBondContact O-N 3Å
13	R	64	Low	65.2	Low	214 Å²	214	111.7 Å²	111.7	81%	0.808	57%	0.573	S	S	*	*	H	α-helix	trans	-71.9	-44.6	176.1	-80.4	-173.3	168.3	-174.4	-4.6	112.5	K9 L10	K9-R13 PolarHBondContact O-N 3.1Å; L10-R13 PolarHBondContact O-N 3.22Å
14	Y	67.8	Low	67.1	Low	136 Å²	136	112.6 Å²	112.6	53%	0.533	57%	0.566	S	S	.	*	H	α-helix	trans	-84.2	-8.6	-176	-69.9	-72.3	0	0	0	114.9	L10 L16 A17 I18	L10-Y14 HydrophobicContact CD1-CE2 4.48Å; L10-Y14 HydrophobicContact CD2-CE2 4.4Å; L10-Y14 HydrophobicContact CG-CD2 4.07Å; L10-Y14 HydrophobicContact CG-CE2 3.96Å; L10-Y14 WeakPolarHBondContact O-CD2 3.14Å; L10-Y14 PolarHBondContact O-N 3.28Å; Y14-L16 VanDerWaalsContact C-N 3.28Å; Y14-L16 PolarHBondContact O-N 3.27Å; Y14-A17 HydrophobicContact CD1-CB 4.44Å; Y14-A17 PolarHBondContact O-N 3.03Å; Y14-A17 VanDerWaalsContact O-N 3.09Å; Y14-I18 WeakPolarHBondContact O-CG1 3.28Å; Y14-I18 PolarHBondContact O-N 2.03Å
15	K	70.8	Confident	68.3	Low	152 Å²	152	114 Å²	114	66%	0.661	57%	0.567	S	S	*	*	H	α-helix	trans	-53.2	-39.9	178.5	-109.7	-173.5	177.1	-164	0	114.1	L11 A19	L11-K15 WeakPolarHBondContact O-CB 3.48Å; L11-K15 WeakPolarHBondContact O-CG 3.28Å; L11-K15 PolarHBondContact O-N 3.38Å; L11-K15 VanDerWaalsContact O-N 3.13Å; K15-A19 VanDerWaalsContact O-CB 3.31Å; K15-A19 WeakPolarHBondContact O-CB 3.16Å; K15-A19 PolarHBondContact O-N 3.45Å
16	L	71.8	Confident	69.6	Low	149 Å²	149	115.2 Å²	115.2	78%	0.78	57%	0.57	S	S	*	*	H	α-helix	trans	-70.7	-40.9	177	-81.6	162.3	0	0	0	112.4	Y14 A19 A20	Y14-L16 VanDerWaalsContact C-N 3.28Å; Y14-L16 PolarHBondContact O-N 3.27Å; L16-A19 PolarHBondContact O-N 2.85Å; L16-A20 WeakPolarHBondContact O-CB 3.03Å; L16-A20 PolarHBondContact O-N 3.08Å
17	A	74.2	Confident	71.1	Confident	56 Å²	56	110.7 Å²	110.7	46%	0.463	56%	0.559	S	S	.	*	H	α-helix	trans	-66.3	-40.1	176.7	0	0	0	0	0	112.1	Y14 A20 A21	Y14-A17 HydrophobicContact CD1-CB 4.44Å; Y14-A17 PolarHBondContact O-N 3.03Å; Y14-A17 VanDerWaalsContact O-N 3.09Å; A17-A20 PolarHBondContact O-N 2.88Å; A17-A21 WeakPolarHBondContact O-CB 3.06Å; A17-A21 PolarHBondContact O-N 3.34Å
18	I	79.1	Confident	71.9	Confident	87 Å²	87	111.8 Å²	111.8	45%	0.446	56%	0.559	S	S	.	*	H	α-helix	trans	-67	-41.2	175.4	-66	164.9	0	0	0	110.5	Y14 A21 L22	Y14-I18 WeakPolarHBondContact O-CG1 3.28Å; Y14-I18 PolarHBondContact O-N 2.03Å; I18-A21 PolarHBondContact O-N 3.26Å; I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 HydrophobicContact CG2-CG 4.44Å; I18-L22 WeakPolarHBondContact O-CB 3.24Å; I18-L22 VanDerWaalsContact O-CG 3.3Å; I18-L22 WeakPolarHBondContact O-CG 3.5Å; I18-L22 PolarHBondContact O-N 3.11Å
19	A	78.2	Confident	73.1	Confident	50 Å²	50	108 Å²	108	41%	0.413	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-41.3	174.1	0	0	0	0	0	112.2	K15 L16 L22 T23	K15-A19 VanDerWaalsContact O-CB 3.31Å; K15-A19 WeakPolarHBondContact O-CB 3.16Å; K15-A19 PolarHBondContact O-N 3.45Å; L16-A19 PolarHBondContact O-N 2.85Å; A19-L22 PolarHBondContact O-N 3.31Å; A19-T23 PolarHBondContact O-N 3.26Å; A19-T23 PolarHBondContact O-OG1 3.34Å
20	A	79	Confident	73.9	Confident	45 Å²	45	105 Å²	105	37%	0.372	54%	0.544	S	S	.	.	H	α-helix	trans	-65.5	-43.6	175.3	0	0	0	0	0	112.6	L16 A17 T23 I24	L16-A20 WeakPolarHBondContact O-CB 3.03Å; L16-A20 PolarHBondContact O-N 3.08Å; A17-A20 PolarHBondContact O-N 2.88Å; A20-T23 WeakPolarHBondContact CA-OG1 3.46Å; A20-T23 PolarHBondContact O-N 2.88Å; A20-T23 PolarHBondContact O-OG1 2.61Å; A20-T23 VanDerWaalsContact O-OG1 3.08Å; A20-I24 WeakPolarHBondContact O-CB 3.47Å; A20-I24 WeakPolarHBondContact O-CD1 3.19Å; A20-I24 VanDerWaalsContact O-CG1 3.25Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.93Å
21	A	79.8	Confident	74.6	Confident	51 Å²	51	103.8 Å²	103.8	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-62.7	-42.5	175.6	0	0	0	0	0	111.8	A17 I18 I24 L25	A17-A21 WeakPolarHBondContact O-CB 3.06Å; A17-A21 PolarHBondContact O-N 3.34Å; I18-A21 PolarHBondContact O-N 3.26Å; A21-I24 PolarHBondContact O-N 3.45Å; A21-L25 WeakPolarHBondContact O-CG 3.19Å; A21-L25 PolarHBondContact O-N 3.1Å
22	L	81.1	Confident	75.3	Confident	106 Å²	106	103.5 Å²	103.5	56%	0.555	54%	0.542	S	S	*	.	H	α-helix	trans	-66.2	-39.1	176.5	-73.9	171	0	0	0	112.5	I18 A19 L25 L26	I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 HydrophobicContact CG2-CG 4.44Å; I18-L22 WeakPolarHBondContact O-CB 3.24Å; I18-L22 VanDerWaalsContact O-CG 3.3Å; I18-L22 WeakPolarHBondContact O-CG 3.5Å; I18-L22 PolarHBondContact O-N 3.11Å; A19-L22 PolarHBondContact O-N 3.31Å; L22-L25 PolarHBondContact O-N 2.96Å; L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 PolarHBondContact O-N 3.39Å
23	T	83.1	Confident	74.6	Confident	75 Å²	75	102.4 Å²	102.4	46%	0.46	54%	0.538	S	S	.	.	H	α-helix	trans	-70.9	-35.1	175.6	48.7	0	0	0	0	112.6	A19 A20 L26 I27	A19-T23 PolarHBondContact O-N 3.26Å; A19-T23 PolarHBondContact O-OG1 3.34Å; A20-T23 WeakPolarHBondContact CA-OG1 3.46Å; A20-T23 PolarHBondContact O-N 2.88Å; A20-T23 PolarHBondContact O-OG1 2.61Å; A20-T23 VanDerWaalsContact O-OG1 3.08Å; T23-L26 PolarHBondContact O-N 3.43Å; T23-I27 WeakPolarHBondContact O-CB 3.46Å; T23-I27 WeakPolarHBondContact O-CD1 3.38Å; T23-I27 VanDerWaalsContact O-CG1 3.24Å; T23-I27 WeakPolarHBondContact O-CG1 3.41Å; T23-I27 PolarHBondContact O-N 3.34Å
24	I	84.2	Confident	74	Confident	97 Å²	97	95.5 Å²	95.5	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-61	-46.6	171.5	-70.3	164.6	0	0	0	110.6	A20 A21 L26 I27 Q28	A20-I24 WeakPolarHBondContact O-CB 3.47Å; A20-I24 WeakPolarHBondContact O-CD1 3.19Å; A20-I24 VanDerWaalsContact O-CG1 3.25Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.93Å; A21-I24 PolarHBondContact O-N 3.45Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 2.69Å; I24-I27 PolarHBondContact O-N 3.3Å; I24-Q28 WeakPolarHBondContact O-CB 3.36Å; I24-Q28 WeakPolarHBondContact O-CG 3.45Å; I24-Q28 PolarHBondContact O-N 2.85Å
25	L	79.3	Confident	72.9	Confident	107 Å²	107	93.9 Å²	93.9	56%	0.56	52%	0.523	S	S	*	.	H	α-helix	trans	-62.9	-37.9	175.7	-74.3	167.5	0	0	0	112.4	A21 L22 Q28 G29	A21-L25 WeakPolarHBondContact O-CG 3.19Å; A21-L25 PolarHBondContact O-N 3.1Å; L22-L25 PolarHBondContact O-N 2.96Å; L25-Q28 PolarHBondContact O-N 2.86Å; L25-G29 PolarHBondContact O-N 2.96Å
26	L	81.6	Confident	71.7	Confident	113 Å²	113	94.7 Å²	94.7	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-65.5	-41.7	175.2	-122.9	163	0	0	0	111.9	L22 T23 I24 G29 L30	L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 PolarHBondContact O-N 3.39Å; T23-L26 PolarHBondContact O-N 3.43Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 2.69Å; L26-G29 PolarHBondContact O-N 2.9Å; L26-L30 HydrophobicContact CD2-CD1 4.07Å; L26-L30 HydrophobicContact CD2-CG 4.35Å; L26-L30 WeakPolarHBondContact O-CB 3.48Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.35Å
27	I	82.9	Confident	70.3	Confident	104 Å²	104	91.1 Å²	91.1	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-44.7	175.5	-69.8	163.2	0	0	0	110.4	T23 I24 G29 L30 V31	T23-I27 WeakPolarHBondContact O-CB 3.46Å; T23-I27 WeakPolarHBondContact O-CD1 3.38Å; T23-I27 VanDerWaalsContact O-CG1 3.24Å; T23-I27 WeakPolarHBondContact O-CG1 3.41Å; T23-I27 PolarHBondContact O-N 3.34Å; I24-I27 PolarHBondContact O-N 3.3Å; I27-G29 PolarHBondContact O-N 2.79Å; I27-L30 PolarHBondContact O-N 2.04Å; I27-V31 WeakPolarHBondContact O-CG2 3.5Å; I27-V31 PolarHBondContact O-N 3.36Å
28	Q	73.8	Confident	68.8	Low	111 Å²	111	93.8 Å²	93.8	52%	0.519	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-44	175.3	-74.1	175.5	-24.6	0	0	111.8	I24 L25 V31 V32	I24-Q28 WeakPolarHBondContact O-CB 3.36Å; I24-Q28 WeakPolarHBondContact O-CG 3.45Å; I24-Q28 PolarHBondContact O-N 2.85Å; L25-Q28 PolarHBondContact O-N 2.86Å; Q28-V31 PolarHBondContact O-N 2.67Å; Q28-V32 WeakPolarHBondContact O-CG2 3.29Å; Q28-V32 PolarHBondContact O-N 3.19Å
29	G	77.4	Confident	67.1	Low	42 Å²	42	96.5 Å²	96.5	43%	0.433	53%	0.526	S	S	.	.	H	α-helix	trans	-61.1	-42.8	174.6	0	0	0	0	0	113.2	L25 L26 I27 V32 W33	L25-G29 PolarHBondContact O-N 2.96Å; L26-G29 PolarHBondContact O-N 2.9Å; I27-G29 PolarHBondContact O-N 2.79Å; G29-V32 PolarHBondContact O-N 2.88Å; G29-W33 WeakPolarHBondContact O-CB 3.28Å; G29-W33 PolarHBondContact O-N 2.99Å
30	L	72.2	Confident	65.4	Low	92 Å²	92	100.5 Å²	100.5	48%	0.482	54%	0.536	S	S	.	.	H	α-helix	trans	-66.4	-37.9	176.1	-74.8	167.2	0	0	0	112.6	L26 I27 W33 S34	L26-L30 HydrophobicContact CD2-CD1 4.07Å; L26-L30 HydrophobicContact CD2-CG 4.35Å; L26-L30 WeakPolarHBondContact O-CB 3.48Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.35Å; I27-L30 PolarHBondContact O-N 2.04Å; L30-W33 HydrophobicContact CD2-CE3 4.36Å; L30-W33 PolarHBondContact O-N 3.36Å; L30-S34 VanDerWaalsContact O-CB 3.27Å; L30-S34 WeakPolarHBondContact O-CB 3.33Å; L30-S34 PolarHBondContact O-N 3.45Å
31	V	70.3	Confident	63.5	Low	80 Å²	80	100.1 Å²	100.1	49%	0.485	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-46.6	174.2	168.5	0	0	0	0	110.9	I27 Q28 W33 S34 L35	I27-V31 WeakPolarHBondContact O-CG2 3.5Å; I27-V31 PolarHBondContact O-N 3.36Å; Q28-V31 PolarHBondContact O-N 2.67Å; V31-W33 PolarHBondContact O-N 2.86Å; V31-S34 PolarHBondContact O-N 2.91Å; V31-L35 HydrophobicContact CG1-CD1 3.99Å; V31-L35 WeakPolarHBondContact O-CG 3.46Å; V31-L35 PolarHBondContact O-N 3.04Å
32	V	68.5	Low	61.6	Low	95 Å²	95	103.1 Å²	103.1	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-62.1	-41.8	176.5	171	0	0	0	0	111.4	Q28 G29 L35 R36	Q28-V32 WeakPolarHBondContact O-CG2 3.29Å; Q28-V32 PolarHBondContact O-N 3.19Å; G29-V32 PolarHBondContact O-N 2.88Å; V32-L35 PolarHBondContact O-N 3.43Å; V32-R36 PolarHBondContact O-N 3.49Å
33	W	47.1	Very low	59.6	Low	188 Å²	188	100.8 Å²	100.8	71%	0.712	54%	0.538	S	S	*	.	H	α-helix	trans	-67.8	-39.9	177.8	-168.4	45.9	0	0	0	112.4	G29 L30 V31 L35 R36 S37	G29-W33 WeakPolarHBondContact O-CB 3.28Å; G29-W33 PolarHBondContact O-N 2.99Å; L30-W33 HydrophobicContact CD2-CE3 4.36Å; L30-W33 PolarHBondContact O-N 3.36Å; V31-W33 PolarHBondContact O-N 2.86Å; W33-L35 VanDerWaalsContact C-N 3.35Å; W33-L35 PolarHBondContact O-N 2.65Å; W33-R36 PolarHBondContact O-N 3.32Å; W33-S37 PolarHBondContact O-N 3.11Å
34	S	52.7	Low	57.4	Low	70 Å²	70	104.6 Å²	104.6	49%	0.49	55%	0.551	S	S	.	*	H	α-helix	trans	-64.9	-36	174.9	-175.9	0	0	0	0	112.7	L30 V31 L38	L30-S34 VanDerWaalsContact O-CB 3.27Å; L30-S34 WeakPolarHBondContact O-CB 3.33Å; L30-S34 PolarHBondContact O-N 3.45Å; V31-S34 PolarHBondContact O-N 2.91Å; S34-L38 WeakPolarHBondContact O-CG 3.3Å; S34-L38 PolarHBondContact O-N 3.04Å
35	L	44.2	Very low	55.1	Low	101 Å²	101	109 Å²	109	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-67.5	-43.7	174.1	-73.5	166.7	0	0	0	111.5	V31 V32 W33 S37 L38 E39	V31-L35 HydrophobicContact CG1-CD1 3.99Å; V31-L35 WeakPolarHBondContact O-CG 3.46Å; V31-L35 PolarHBondContact O-N 3.04Å; V32-L35 PolarHBondContact O-N 3.43Å; W33-L35 VanDerWaalsContact C-N 3.35Å; W33-L35 PolarHBondContact O-N 2.65Å; L35-S37 VanDerWaalsContact C-N 3.35Å; L35-S37 PolarHBondContact O-N 3.13Å; L35-L38 WeakPolarHBondContact O-CB 3.48Å; L35-L38 PolarHBondContact O-N 3.08Å; L35-L38 VanDerWaalsContact O-N 3.11Å; L35-E39 PolarHBondContact O-N 2.93Å; L35-E39 VanDerWaalsContact O-N 3.12Å
36	R	45.7	Very low	53.2	Low	170 Å²	170	110.1 Å²	110.1	64%	0.642	56%	0.561	S	S	*	*	H	α-helix	trans	-61.2	-41.8	177.3	-132.2	178.2	-170.8	179.5	1.8	112.6	V32 W33 L38 E39 E40	V32-R36 PolarHBondContact O-N 3.49Å; W33-R36 PolarHBondContact O-N 3.32Å; R36-L38 VanDerWaalsContact C-N 3.28Å; R36-L38 PolarHBondContact O-N 2.94Å; R36-E39 PolarHBondContact O-N 3.16Å; R36-E40 PolarHBondContact O-N 2.96Å; R36-E40 VanDerWaalsContact O-N 3.15Å
37	S	42.3	Very low	50.9	Low	73 Å²	73	109.8 Å²	109.8	51%	0.51	56%	0.564	S	S	.	*	H	α-helix	trans	-65.2	-29.6	175.8	-175.9	0	0	0	0	112.9	W33 L35 G41	W33-S37 PolarHBondContact O-N 3.11Å; L35-S37 VanDerWaalsContact C-N 3.35Å; L35-S37 PolarHBondContact O-N 3.13Å; S37-G41 PolarHBondContact O-N 2.73Å; S37-G41 VanDerWaalsContact O-N 3.08Å
38	L	41.8	Very low	48.5	Very low	112 Å²	112	116 Å²	116	59%	0.586	58%	0.581	S	S	*	*	H	α-helix	trans	-71.1	-36	172.5	-79.4	163.2	0	0	0	112.7	S34 L35 R36 E42	S34-L38 WeakPolarHBondContact O-CG 3.3Å; S34-L38 PolarHBondContact O-N 3.04Å; L35-L38 WeakPolarHBondContact O-CB 3.48Å; L35-L38 PolarHBondContact O-N 3.08Å; L35-L38 VanDerWaalsContact O-N 3.11Å; R36-L38 VanDerWaalsContact C-N 3.28Å; R36-L38 PolarHBondContact O-N 2.94Å; L38-E42 PolarHBondContact O-N 2.66Å
39	E	43.8	Very low	46.4	Very low	144 Å²	144	120.4 Å²	120.4	67%	0.673	59%	0.593	S	S	*	*	H	α-helix	trans	-66.7	-43.3	175.6	-67.1	-173.5	128.1	0	0	112.2	L35 R36 E42 A43	L35-E39 PolarHBondContact O-N 2.93Å; L35-E39 VanDerWaalsContact O-N 3.12Å; R36-E39 PolarHBondContact O-N 3.16Å; E39-E42 PolarHBondContact O-N 3.16Å; E39-A43 PolarHBondContact O-N 3.37Å; E39-A43 VanDerWaalsContact O-N 3.15Å
40	E	41.9	Very low	44.2	Very low	134 Å²	134	123.1 Å²	123.1	63%	0.626	61%	0.605	S	S	*	*	H	α-helix	trans	-62.9	-44.1	174.7	-69.1	175.8	164.3	0	0	111.3	R36 E42 A43 E44	R36-E40 PolarHBondContact O-N 2.96Å; R36-E40 VanDerWaalsContact O-N 3.15Å; E40-E42 VanDerWaalsContact C-N 3.32Å; E40-E42 PolarHBondContact O-N 3.32Å; E40-A43 WeakPolarHBondContact O-CB 3.05Å; E40-A43 PolarHBondContact O-N 2.78Å; E40-A43 VanDerWaalsContact O-N 3.1Å; E40-E44 PolarHBondContact O-N 2.94Å
41	G	39.6	Very low	42.2	Very low	38 Å²	38	128.2 Å²	128.2	39%	0.392	62%	0.623	S	S	.	*	H	α-helix	trans	-64.2	-31	174.6	0	0	0	0	0	114.2	S37 R45	S37-G41 PolarHBondContact O-N 2.73Å; S37-G41 VanDerWaalsContact O-N 3.08Å; G41-R45 WeakPolarHBondContact O-CB 3.42Å; G41-R45 PolarHBondContact O-N 2.93Å
42	E	41	Very low	40.2	Very low	114 Å²	114	132.1 Å²	132.1	53%	0.533	64%	0.641	S	S	.	*	H	α-helix	trans	-69.7	-31.1	171.4	-89.9	-133.8	159.2	0	0	113	L38 E39 E40 R45 K46	L38-E42 PolarHBondContact O-N 2.66Å; E39-E42 PolarHBondContact O-N 3.16Å; E40-E42 VanDerWaalsContact C-N 3.32Å; E40-E42 PolarHBondContact O-N 3.32Å; E42-R45 PolarHBondContact O-N 2.98Å; E42-K46 VanDerWaalsContact O-CD 3.3Å; E42-K46 WeakPolarHBondContact O-CD 3.42Å; E42-K46 VanDerWaalsContact O-CG 3.28Å; E42-K46 WeakPolarHBondContact O-CG 3.02Å; E42-K46 PolarHBondContact O-N 3.1Å; E42-K46 VanDerWaalsContact OE2-CE 3.29Å; E42-K46 WeakPolarHBondContact OE2-CE 3.43Å; E42-K46 IonicContact OE2-NZ 3.39Å; E42-K46 PolarHBondContact OE2-NZ 3.29Å
43	A	39	Very low	38.2	Very low	57 Å²	57	132.8 Å²	132.8	47%	0.471	65%	0.647	S	S	.	*	H	α-helix	trans	-66.1	-51.4	179.7	0	0	0	0	0	111.5	E39 E40 R45 K46 T47	E39-A43 PolarHBondContact O-N 3.37Å; E39-A43 VanDerWaalsContact O-N 3.15Å; E40-A43 WeakPolarHBondContact O-CB 3.05Å; E40-A43 PolarHBondContact O-N 2.78Å; E40-A43 VanDerWaalsContact O-N 3.1Å; A43-R45 VanDerWaalsContact C-N 3.27Å; A43-R45 PolarHBondContact O-N 3.43Å; A43-K46 PolarHBondContact O-N 3.08Å; A43-T47 PolarHBondContact O-N 2.91Å; A43-T47 PolarHBondContact O-OG1 2.94Å
44	E	35.3	Very low	37.2	Very low	155 Å²	155	131.7 Å²	131.7	72%	0.724	66%	0.655	S	S	*	*	H	α-helix	trans	-61.2	-35.5	175.6	-67.3	-160.2	126.3	0	0	112.7	E40 K46 T47 R48	E40-E44 PolarHBondContact O-N 2.94Å; E44-K46 VanDerWaalsContact C-N 3.27Å; E44-K46 PolarHBondContact O-N 3.47Å; E44-T47 PolarHBondContact O-N 2.97Å; E44-T47 PolarHBondContact O-OG1 3.21Å; E44-R48 PolarHBondContact O-N 3.37Å
45	R	37.3	Very low	36	Very low	190 Å²	190	137.3 Å²	137.3	72%	0.717	67%	0.673	S	S	*	*	H	α-helix	trans	-71.9	-21.4	-179.2	-151.4	172.7	-166.7	-171.7	4.5	112.9	G41 E42 A43	G41-R45 WeakPolarHBondContact O-CB 3.42Å; G41-R45 PolarHBondContact O-N 2.93Å; E42-R45 PolarHBondContact O-N 2.98Å; A43-R45 VanDerWaalsContact C-N 3.27Å; A43-R45 PolarHBondContact O-N 3.43Å
46	K	38.5	Very low	35.1	Very low	129 Å²	129	140.3 Å²	140.3	56%	0.561	69%	0.69	S	S	*	*	H	α-helix	trans	-76	-43.3	172.6	-73.9	158.1	-170	157.2	0	111.5	E42 A43 E44 R48 R49	E42-K46 VanDerWaalsContact O-CD 3.3Å; E42-K46 WeakPolarHBondContact O-CD 3.42Å; E42-K46 VanDerWaalsContact O-CG 3.28Å; E42-K46 WeakPolarHBondContact O-CG 3.02Å; E42-K46 PolarHBondContact O-N 3.1Å; E42-K46 VanDerWaalsContact OE2-CE 3.29Å; E42-K46 WeakPolarHBondContact OE2-CE 3.43Å; E42-K46 IonicContact OE2-NZ 3.39Å; E42-K46 PolarHBondContact OE2-NZ 3.29Å; A43-K46 PolarHBondContact O-N 3.08Å; E44-K46 VanDerWaalsContact C-N 3.27Å; E44-K46 PolarHBondContact O-N 3.47Å; K46-R48 VanDerWaalsContact C-N 3.29Å; K46-R48 PolarHBondContact O-N 2.87Å; K46-R49 PolarHBondContact O-N 2.92Å
47	T	34.3	Very low	34.2	Very low	107 Å²	107	137.9 Å²	137.9	66%	0.656	70%	0.699	S	S	*	*	H	α-helix	trans	-64.4	-29.1	176.9	29.8	0	0	0	0	113.6	A43 E44 S50	A43-T47 PolarHBondContact O-N 2.91Å; A43-T47 PolarHBondContact O-OG1 2.94Å; E44-T47 PolarHBondContact O-N 2.97Å; E44-T47 PolarHBondContact O-OG1 3.21Å; T47-S50 PolarHBondContact O-OG 3.1Å
48	R	32.2	Very low	33.5	Very low	235 Å²	235	143.6 Å²	143.6	89%	0.887	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-5.4	175.2	-101.8	-178.1	172.9	179.9	-1.5	115.9	E44 K46	E44-R48 PolarHBondContact O-N 3.37Å; K46-R48 VanDerWaalsContact C-N 3.29Å; K46-R48 PolarHBondContact O-N 2.87Å
49	R	30.2	Very low	32.7	Very low	202 Å²	202	145.5 Å²	145.5	76%	0.762	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	6.1	-177.2	-102.9	-178	169.8	-176.4	-4.5	115.1	K46 K51	K46-R49 PolarHBondContact O-N 2.92Å; R49-K51 PolarHBondContact O-N 2.77Å
50	S	30.3	Very low	32.2	Very low	100 Å²	100	143.9 Å²	143.9	70%	0.699	73%	0.73	S	S	*	*	S	Bend	trans	-81.7	16.9	-176.3	60	0	0	0	0	115.6	T47	T47-S50 PolarHBondContact O-OG 3.1Å
51	K	30.2	Very low	31.5	Very low	198 Å²	198	146.9 Å²	146.9	86%	0.861	74%	0.741	S	S	*	*			trans	-135.2	104.2	169.7	-70.4	-170	176.6	-173.7	0	110.1	R49	R49-K51 PolarHBondContact O-N 2.77Å
52	L	27.4	Very low	30.9	Very low	162 Å²	162	156.2 Å²	156.2	85%	0.848	77%	0.765	S	S	*	*			trans	-109.4	134.4	164.1	-86.1	160.3	0	0	0	107.4
53	P	28	Very low	30.1	Very low	109 Å²	109	159.2 Å²	159.2	71%	0.708	78%	0.779	S	S	*	*			trans	-76.4	151.3	169.9	-8.7	26	0	0	0	111.1
54	D	26.6	Very low	29.5	Very low	165 Å²	165	160.8 Å²	160.8	88%	0.882	79%	0.792	S	S	*	*			trans	-71.7	133.1	167.2	-63.1	-65.6	0	0	0	110.6
55	H	26.3	Very low	29	Very low	188 Å²	188	159.5 Å²	159.5	87%	0.87	79%	0.794	S	S	*	*			trans	-99.8	101.9	171.2	-95.6	-71.7	0	0	0	109.7
56	N	25.6	Very low	28.5	Very low	165 Å²	165	155.2 Å²	155.2	88%	0.882	80%	0.8	S	S	*	*			trans	-153.7	70.1	166	-148.7	21.3	0	0	0	113.5
57	S	27.7	Very low	27.8	Very low	118 Å²	118	158.3 Å²	158.3	83%	0.825	81%	0.808	S	S	*	*			trans	-160.6	141.2	159.2	52.9	0	0	0	0	111.4
58	Q	25.9	Very low	27.4	Very low	193 Å²	193	161.8 Å²	161.8	90%	0.902	82%	0.817	S	S	*	*			trans	-114.8	129.8	159.8	-71.5	-178	-12.9	0	0	107.3
59	D	25.9	Very low	27.1	Very low	153 Å²	153	160.7 Å²	160.7	82%	0.818	81%	0.813	S	S	*	*			trans	-157	118.1	153.8	-152	-16.6	0	0	0	110
60	P	33.7	Very low	27	Very low	110 Å²	110	159.7 Å²	159.7	71%	0.714	82%	0.816	S	S	*	*			trans	-103.3	95.5	-171.2	36	-31.5	0	0	0	113.7
61	K	27.2	Very low	26.8	Very low	197 Å²	197	162.6 Å²	162.6	86%	0.857	82%	0.824	S	S	*	*			trans	-166.9	148.7	157.2	-101.1	134.2	-169.5	172	0	112.3
62	R	25.5	Very low	26.7	Very low	233 Å²	233	157.4 Å²	157.4	88%	0.879	82%	0.818	S	S	*	*			trans	67.6	140.7	-172.3	-54.5	179.2	-179.9	175.1	-0.2	112.5
63	E	26.1	Very low	26.7	Very low	177 Å²	177	157.2 Å²	157.2	83%	0.827	82%	0.817	S	S	*	*			cis	-125.3	143.2	3.9	-114.8	132.9	-130.4	0	0	111.9
64	A	24.6	Very low	26.6	Very low	90 Å²	90	157.5 Å²	157.5	74%	0.744	82%	0.822	S	S	*	*			trans	-117.1	171.5	158.2	0	0	0	0	0	107.8
65	V	25.8	Very low	26.5	Very low	129 Å²	129	153.1 Å²	153.1	78%	0.782	82%	0.816	S	S	*	*			trans	77.3	75.2	-177.3	-164.8	0	0	0	0	114.5
66	A	27.4	Very low	26.6	Very low	100 Å²	100	155.5 Å²	155.5	83%	0.826	82%	0.817	S	S	*	*			trans	-141	47.3	155.5	0	0	0	0	0	111.9
67	W	23.9	Very low	26.7	Very low	194 Å²	194	153.1 Å²	153.1	74%	0.735	81%	0.814	S	S	*	*			trans	46.3	113.9	152.5	-83.9	80	0	0	0	120.9
68	E	24.6	Very low	26.6	Very low	180 Å²	180	150.8 Å²	150.8	84%	0.841	81%	0.808	S	S	*	*			trans	-54.7	138.2	151.4	-54.6	158.9	103	0	0	111.2
69	R	26.3	Very low	26.5	Very low	212 Å²	212	146.3 Å²	146.3	80%	0.8	80%	0.804	S	S	*	*			trans	-163.6	152.5	144.6	-115.2	165.8	-169.4	-161.8	2.2	113.6
70	Q	27.1	Very low	26.6	Very low	180 Å²	180	148.6 Å²	148.6	84%	0.841	80%	0.801	S	S	*	*			trans	71.7	68.7	163.9	-67	177.6	-32.9	0	0	118.2
71	N	27.5	Very low	26.2	Very low	161 Å²	161	152.8 Å²	152.8	86%	0.861	80%	0.803	S	S	*	*				4.6	116.6	123	-70.4	-13.2	0	0	0	118.4
72	A	26.7	Very low	26.2	Very low	90 Å²	90	149.2 Å²	149.2	74%	0.744	79%	0.793	S	S	*	*				77	164.3	115.9	0	0	0	0	0	122.5
73	L	27.7	Very low	26.2	Very low	158 Å²	158	142.3 Å²	142.3	83%	0.827	78%	0.78	S	S	*	*			trans	80.5	95.1	165.5	-61.1	178	0	0	0	120
74	S	27.1	Very low	26.2	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	78%	0.782	S	S	*	*				57.6	125.2	126.4	66.2	0	0	0	0	122.1
75	G	24.8	Very low	26.4	Very low	73 Å²	73	146.1 Å²	146.1	75%	0.753	78%	0.776	S	S	*	*				128.1	126.6	107.4	0	0	0	0	0	119.5
76	R	27.8	Very low	26.5	Very low	237 Å²	237	146 Å²	146	89%	0.894	77%	0.767	S	S	*	*			trans	58	106.4	143.7	-86.8	-174.4	173.6	-178.3	-1.7	121.3
77	S	26.4	Very low	26.5	Very low	116 Å²	116	150.6 Å²	150.6	81%	0.811	76%	0.763	S	S	*	*				59.9	125.6	118.8	67.2	0	0	0	0	122.2
78	G	25.8	Very low	26.6	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	77%	0.766	S	S	*	*			trans	150.7	125	167.1	0	0	0	0	0	107.8
79	A	25.6	Very low	26.7	Very low	98 Å²	98	142.8 Å²	142.8	81%	0.81	77%	0.765	S	S	*	*			cis	59.8	126.2	41.3	0	0	0	0	0	111.7
80	R	27.5	Very low	26.7	Very low	201 Å²	201	136.9 Å²	136.9	76%	0.758	76%	0.761	S	S	*	*			cis	-164.9	150.4	7.9	-136.7	-169.9	-172.4	172.6	-0.4	110.2
81	W	25.2	Very low	26.8	Very low	199 Å²	199	134.7 Å²	134.7	75%	0.754	76%	0.76	S	S	*	*			trans	66.6	169.6	154.2	-68.9	2.3	0	0	0	116.1
82	N	26.4	Very low	26.9	Very low	122 Å²	122	131.6 Å²	131.6	65%	0.652	76%	0.757	S	S	*	*			cis	-147.2	169.6	9.4	-149.6	-5.6	0	0	0	113.8
83	S	26.7	Very low	27	Very low	87 Å²	87	131.6 Å²	131.6	61%	0.608	76%	0.757	S	S	*	*			trans	58.1	124.5	158.7	38.8	0	0	0	0	118.4
84	R	25.7	Very low	27	Very low	227 Å²	227	129.6 Å²	129.6	86%	0.857	76%	0.757	S	S	*	*				64.2	138.2	64.4	-67.4	-178.3	174.5	-165.5	-0.5	112.2
85	L	29.3	Very low	27.1	Very low	120 Å²	120	128.2 Å²	128.2	63%	0.628	75%	0.752	S	S	*	*			cis	-149	163	20.1	-151.8	80.4	0	0	0	111.7
86	E	27.2	Very low	27.1	Very low	126 Å²	126	131.8 Å²	131.8	59%	0.589	75%	0.753	S	S	*	*			trans	10.1	155.9	140.5	-67.7	168.6	-127.5	0	0	121.3
87	R	26.7	Very low	27.1	Very low	198 Å²	198	128.3 Å²	128.3	75%	0.747	75%	0.747	S	S	*	*			cis	-166.5	150.1	22.1	-136	169	-150.4	-160.8	6.9	114.7
88	T	26.4	Very low	27.2	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	75%	0.753	S	S	*	*			trans	40.8	131.4	144.3	50.3	0	0	0	0	124.6
89	G	27	Very low	27.1	Very low	78 Å²	78	134.1 Å²	134.1	80%	0.804	75%	0.748	S	S	*	*			trans	105.2	156.4	138.7	0	0	0	0	0	117
90	A	26.9	Very low	27.3	Very low	88 Å²	88	136 Å²	136	73%	0.727	75%	0.749	S	S	*	*			cis	-167.7	149.2	-24.8	0	0	0	0	0	109.9
91	T	29	Very low	27.3	Very low	134 Å²	134	134.7 Å²	134.7	82%	0.822	75%	0.749	S	S	*	*			trans	43	113.4	152.5	52.7	0	0	0	0	122.7
92	A	28.5	Very low	27.6	Very low	96 Å²	96	132.6 Å²	132.6	79%	0.793	75%	0.748	S	S	*	*				80.6	127.1	116.8	0	0	0	0	0	124
93	A	29.8	Very low	27.8	Very low	90 Å²	90	137.8 Å²	137.8	74%	0.744	76%	0.758	S	S	*	*				84.9	122.9	129.2	0	0	0	0	0	123.8
94	S	27.5	Very low	27.8	Very low	117 Å²	117	136.8 Å²	136.8	82%	0.818	76%	0.761	S	S	*	*			trans	97.6	135.5	130.1	79.9	0	0	0	0	122.9
95	A	28.2	Very low	27.9	Very low	85 Å²	85	135.1 Å²	135.1	70%	0.702	76%	0.76	S	S	*	*			trans	76.7	121.4	132.2	0	0	0	0	0	124.3
96	L	26.3	Very low	27.9	Very low	149 Å²	149	137.7 Å²	137.7	78%	0.78	77%	0.768	S	S	*	*			trans	71.3	118.7	135.2	-93.5	74	0	0	0	123.9
97	Q	28.1	Very low	27.9	Very low	163 Å²	163	138.1 Å²	138.1	76%	0.762	78%	0.78	S	S	*	*				45.5	119.2	127	-68.5	-173.9	-1.7	0	0	122.2
98	R	26.8	Very low	28.1	Very low	249 Å²	249	135.8 Å²	135.8	94%	0.94	78%	0.781	S	S	*	*				170.5	148.5	115.2	-90.2	158.9	-178.1	-165.1	1.6	109.1
99	G	25.4	Very low	28	Very low	59 Å²	59	141.5 Å²	141.5	61%	0.608	79%	0.788	S	S	*	*			cis	156.1	148.9	-10.8	0	0	0	0	0	113.1
100	T	28.6	Very low	28.1	Very low	136 Å²	136	143.5 Å²	143.5	83%	0.834	78%	0.784	S	S	*	*			trans	70.6	162.2	169.4	76.8	0	0	0	0	116.4
101	K	28.2	Very low	28	Very low	174 Å²	174	149 Å²	149	76%	0.757	79%	0.792	S	S	*	*			cis	-143	156.1	14.6	-66.3	179.7	176.3	174	0	113.1
102	H	30.6	Very low	27.8	Very low	156 Å²	156	151.2 Å²	151.2	72%	0.722	80%	0.795	S	S	*	*			trans	45.9	160.2	140.2	-62.1	-27.7	0	0	0	121.6
103	R	30.6	Very low	29.1	Very low	231 Å²	231	151.6 Å²	151.6	87%	0.872	79%	0.789	S	S	*	*			cis	-167.1	148.9	-14	-107.3	171.6	171.9	-176.2	-2.2	104.1
104	G	27.4	Very low	29	Very low	65 Å²	65	155.4 Å²	155.4	67%	0.67	80%	0.796	S	S	*	*			cis	155.1	156.8	-6	0	0	0	0	0	111.5
105	K	28.6	Very low	28.9	Very low	193 Å²	193	153.2 Å²	153.2	84%	0.839	79%	0.792	S	S	*	*			trans	73.2	120.7	175.5	-56.7	-163.9	173.4	-172.3	0	115.4
106	H	28.5	Very low	28.9	Very low	173 Å²	173	159.2 Å²	159.2	80%	0.801	81%	0.805	S	S	*	*				77	144.7	70.9	-61.2	-48.8	0	0	0	113
107	T	27.1	Very low	28.9	Very low	136 Å²	136	155.5 Å²	155.5	83%	0.834	80%	0.803	S	S	*	*			cis	-149.1	164.3	25.8	-31.2	0	0	0	0	113.4
108	I	31.4	Very low	28.8	Very low	149 Å²	149	154.5 Å²	154.5	76%	0.764	81%	0.808	S	S	*	*			trans	-85.8	149.4	179.2	-61	158.9	0	0	0	111.6	V110	I108-V110 HydrophobicContact CG2-CG2 4.24Å
109	R	24.2	Very low	28.9	Very low	250 Å²	250	146.6 Å²	146.6	94%	0.943	80%	0.796	S	S	*	*			trans	-151.5	157.6	147.9	-130.2	176.7	-175.3	-176.6	0.7	113
110	V	28.2	Very low	29.1	Very low	121 Å²	121	149.9 Å²	149.9	73%	0.733	80%	0.804	S	S	*	*			trans	-143.5	131.7	-170.5	176.2	0	0	0	0	110.4	I108	I108-V110 HydrophobicContact CG2-CG2 4.24Å
111	K	26.1	Very low	29.1	Very low	203 Å²	203	150.5 Å²	150.5	88%	0.883	80%	0.802	S	S	*	*			trans	174.4	156.9	135.8	-99.3	179	177.4	-174	0	113.2
112	M	24.4	Very low	29	Very low	180 Å²	180	145.3 Å²	145.3	89%	0.887	80%	0.798	S	S	*	*			trans	-93.5	-164.8	174	-54.4	169.5	148.8	0	0	111
113	P	55.9	Low	28.9	Very low	105 Å²	105	144.1 Å²	144.1	68%	0.682	80%	0.801	S	S	*	*			cis	-130.7	-176.8	-29.9	19.7	4.4	0	0	0	114.1
114	L	26.9	Very low	30.1	Very low	169 Å²	169	138.4 Å²	138.4	89%	0.885	79%	0.794	S	S	*	*			trans	142.9	157.6	135.9	-94.5	103.7	0	0	0	116.2
115	G	26.4	Very low	31.1	Very low	71 Å²	71	139.8 Å²	139.8	73%	0.732	79%	0.791	S	S	*	*			trans	90.1	122	174.1	0	0	0	0	0	113.7
116	Q	27	Very low	31.1	Very low	211 Å²	211	139.5 Å²	139.5	99%	0.986	79%	0.793	S	S	*	*			cis	70.9	109.2	28.8	-78.7	-173.8	-28.2	0	0	115.9
117	G	25.8	Very low	31.1	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	79%	0.789	S	S	*	*			trans	170.1	159.8	176.2	0	0	0	0	0	112
118	V	27.1	Very low	31.5	Very low	143 Å²	143	136.4 Å²	136.4	87%	0.867	78%	0.782	S	S	*	*			trans	-164.2	165.6	-137.5	152.5	0	0	0	0	111.6
119	A	29.2	Very low	31.2	Very low	83 Å²	83	134.2 Å²	134.2	69%	0.686	78%	0.78	S	S	*	*			trans	73.9	126.8	174	0	0	0	0	0	115.7
120	V	29.4	Very low	31.3	Very low	127 Å²	127	127.5 Å²	127.5	77%	0.77	77%	0.772	S	S	*	*				73.5	126.3	64.2	174.3	0	0	0	0	110.2
121	D	28.7	Very low	31.3	Very low	150 Å²	150	126.2 Å²	126.2	80%	0.802	77%	0.768	S	S	*	*			cis	-136.8	-177.6	43.3	-101.1	-58.6	0	0	0	113.8
122	G	25.1	Very low	31.4	Very low	64 Å²	64	127.4 Å²	127.4	66%	0.66	77%	0.767	S	S	*	*			cis	-163.3	-158.8	12.1	0	0	0	0	0	114.8
123	V	29	Very low	31.4	Very low	131 Å²	131	125.2 Å²	125.2	79%	0.794	76%	0.759	S	S	*	*			trans	-122.7	-163	-144.3	-139	0	0	0	0	115.7
124	P	55.2	Low	30	Very low	112 Å²	112	128.5 Å²	128.5	73%	0.727	76%	0.763	S	S	*	*			trans	-110.9	-129.2	-132	43.1	-21.1	0	0	0	112.3
125	P	49.1	Very low	29.9	Very low	94 Å²	94	126.4 Å²	126.4	61%	0.61	76%	0.757	S	S	*	*			cis	-125.4	165.3	16.3	42.7	-27	0	0	0	116.9
126	H	28.3	Very low	29.9	Very low	187 Å²	187	129.8 Å²	129.8	87%	0.866	76%	0.759	S	S	*	*				174.8	140.4	117.8	-94.2	-66.6	0	0	0	113.3
127	D	27.6	Very low	29.8	Very low	135 Å²	135	126 Å²	126	72%	0.722	75%	0.75	S	S	*	*			trans	-144.6	160.9	167.5	179.8	45.6	0	0	0	106.8	S129	D127-S129 PolarHBondContact OD1-N 2.96Å; D127-S129 PolarHBondContact OD2-N 2.73Å
128	P	35.8	Very low	29.9	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	76%	0.76	S	S	*	*				-153.6	121.2	106.7	35.5	-15.2	0	0	0	117.4
129	S	26.3	Very low	29.8	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	76%	0.761	S	S	*	*			trans	67.4	163.4	141.7	82.8	0	0	0	0	118.7	D127	D127-S129 PolarHBondContact OD1-N 2.96Å; D127-S129 PolarHBondContact OD2-N 2.73Å
130	S	26.1	Very low	29.5	Very low	109 Å²	109	131.9 Å²	131.9	76%	0.762	77%	0.77	S	S	*	*			cis	-157.4	-164.8	8.9	63.7	0	0	0	0	109.9
131	S	27.8	Very low	29.3	Very low	95 Å²	95	129.7 Å²	129.7	66%	0.664	77%	0.773	S	S	*	*				-159.5	154.2	-81.6	70.2	0	0	0	0	111.6
132	R	28.4	Very low	29.2	Very low	228 Å²	228	132.4 Å²	132.4	86%	0.86	78%	0.781	S	S	*	*			trans	71.6	107.5	157.8	-64	176.4	172.1	-178.1	-2.5	122
133	N	25	Very low	29.3	Very low	133 Å²	133	132.9 Å²	132.9	71%	0.711	79%	0.786	S	S	*	*				43.5	143.2	110.6	-61.8	21.1	0	0	0	125.2
134	F	25.3	Very low	29.2	Very low	175 Å²	175	131.4 Å²	131.4	77%	0.768	79%	0.787	S	S	*	*			trans	102	131.5	133.2	-83.9	-50.6	0	0	0	123
135	T	25.3	Very low	27.9	Very low	124 Å²	124	131.3 Å²	131.3	76%	0.761	80%	0.796	S	S	*	*			trans	73.2	141	146.1	46.3	0	0	0	0	123.3
136	D	26	Very low	26.8	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	81%	0.81	S	S	*	*			trans	-46.5	153.8	174.1	-56.9	-94.1	0	0	0	117.7
137	T	25.7	Very low	26.9	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	81%	0.811	S	S	*	*				-170	128.6	103.9	18.1	0	0	0	0	116
138	R	27	Very low	26.9	Very low	250 Å²	250	136.2 Å²	136.2	94%	0.943	81%	0.811	S	S	*	*			trans	33.4	127.4	145.6	-68.5	-177.6	171.8	-179.1	-2.7	122.4
139	G	24.7	Very low	26.5	Very low	85 Å²	85	136.6 Å²	136.6	88%	0.876	81%	0.813	S	S	*	*			trans	121	130.9	151.4	0	0	0	0	0	113.2
140	G	23.9	Very low	26.6	Very low	86 Å²	86	137.7 Å²	137.7	89%	0.887	82%	0.817	S	S	*	*			cis	161.1	124.2	-5.7	0	0	0	0	0	110.2
141	G	25.1	Very low	26.8	Very low	81 Å²	81	137.3 Å²	137.3	84%	0.835	82%	0.821	S	S	*	*			trans	164.5	148.2	-178.3	0	0	0	0	0	113.2
142	E	27.3	Very low	26.8	Very low	207 Å²	207	141.1 Å²	141.1	97%	0.967	83%	0.83	S	S	*	*			trans	-94.6	159.7	-174.3	-57.1	166.8	121.3	0	0	112.1
143	G	25.4	Very low	26.9	Very low	74 Å²	74	136.3 Å²	136.3	76%	0.763	83%	0.829	S	S	*	*			trans	160.7	102.8	165.1	0	0	0	0	0	117.7
144	A	28.4	Very low	27.1	Very low	99 Å²	99	133.1 Å²	133.1	82%	0.818	83%	0.827	S	S	*	*			trans	47.5	103	154.6	0	0	0	0	0	119.4	R146	A144-R146 PolarHBondContact O-N 3.05Å
145	A	26.8	Very low	27.3	Very low	110 Å²	110	133.2 Å²	133.2	91%	0.909	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-66.3	130.2	164.6	0	0	0	0	0	111.8
146	R	26.4	Very low	27.8	Very low	242 Å²	242	131.3 Å²	131.3	91%	0.913	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-96.3	130.2	168	-72.2	-177.4	174.2	-179.5	-1.9	110	A144	A144-R146 PolarHBondContact O-N 3.05Å
147	L	29.9	Very low	28.3	Very low	167 Å²	167	127 Å²	127	87%	0.874	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.6	144.3	170	-69	166.3	0	0	0	110.4
148	P	28.1	Very low	29.1	Very low	111 Å²	111	126.8 Å²	126.8	72%	0.721	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.9	151.1	171.8	30.8	-34.5	0	0	0	111.2
149	P	27.4	Very low	29.6	Very low	116 Å²	116	120.8 Å²	120.8	75%	0.753	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-69.4	154.3	177.8	29.8	-35.3	0	0	0	112.1
150	P	29.3	Very low	29.9	Very low	125 Å²	125	125.4 Å²	125.4	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.9	142.6	178.8	28.4	-35	0	0	0	111.9	M152	P150-M152 PolarHBondContact O-N 2.63Å
151	A	28.3	Very low	30.7	Very low	101 Å²	101	124.7 Å²	124.7	84%	0.835	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.1	126.4	179.1	0	0	0	0	0	111.8
152	M	28.3	Very low	31.1	Very low	175 Å²	175	124.4 Å²	124.4	86%	0.862	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-74	134.9	173.2	-70	-72	-78.1	0	0	110.8	P150 G154	P150-M152 PolarHBondContact O-N 2.63Å; M152-G154 PolarHBondContact O-N 3.11Å
153	P	31.8	Very low	31.9	Very low	127 Å²	127	119.6 Å²	119.6	83%	0.825	77%	0.772	S	S	*	*			trans	-68.5	111	171.4	-17.2	31.2	0	0	0	110.8
154	G	29.6	Very low	32.8	Very low	66 Å²	66	125.2 Å²	125.2	68%	0.68	78%	0.779	S	S	*	*			trans	-72	152.2	174	0	0	0	0	0	112.7	M152	M152-G154 PolarHBondContact O-N 3.11Å
155	E	28.4	Very low	33.5	Very low	177 Å²	177	124.7 Å²	124.7	83%	0.827	77%	0.774	S	S	*	*			trans	-62.5	131	178.6	-70.5	-153.6	134.6	0	0	112	G157	E155-G157 PolarHBondContact O-N 3.28Å; E155-G157 VanDerWaalsContact O-N 3.09Å
156	P	34.9	Very low	34.6	Very low	84 Å²	84	122.1 Å²	122.1	55%	0.545	75%	0.748	S	S	.	*	S	Bend	trans	-77.7	101.3	179.9	29.7	-33.4	0	0	0	110.7	K484	P156-K484 WeakPolarHBondContact O-CD 3.32Å; P156-K484 WeakPolarHBondContact O-CE 3.46Å; P156-K484 PolarHBondContact O-NZ 2.85Å
157	G	37.2	Very low	35.7	Very low	54 Å²	54	113.9 Å²	113.9	56%	0.557	73%	0.727	S	S	*	*	S	Bend	trans	128.9	108.4	159.5	0	0	0	0	0	114.9	E155	E155-G157 PolarHBondContact O-N 3.28Å; E155-G157 VanDerWaalsContact O-N 3.09Å
158	S	42.4	Very low	36.9	Very low	125 Å²	125	111.7 Å²	111.7	87%	0.874	73%	0.726	S	S	*	*			trans	77.8	107.4	-171.2	-162.7	0	0	0	0	114.1
159	V	37.8	Very low	38.6	Very low	124 Å²	124	109.6 Å²	109.6	75%	0.752	71%	0.709	S	S	*	*			trans	-141.8	134.6	165.8	-146.1	0	0	0	0	108.1
160	E	30.1	Very low	40.7	Very low	182 Å²	182	105.1 Å²	105.1	85%	0.85	68%	0.678	S	S	*	*	S	Bend	trans	-84.3	148	161	-64	-169.1	113.6	0	0	109.2
161	G	41.2	Very low	43	Very low	71 Å²	71	105 Å²	105	73%	0.732	67%	0.674	S	S	*	*			trans	86.5	82.6	-170.9	0	0	0	0	0	112.7
162	A	33.4	Very low	45.7	Very low	76 Å²	76	102.5 Å²	102.5	63%	0.628	65%	0.65	S	S	*	*			trans	-83.7	127.1	168.9	0	0	0	0	0	109.9
163	P	43.9	Very low	48.6	Very low	105 Å²	105	102 Å²	102	68%	0.682	64%	0.643	S	S	*	*			trans	-63.3	164.4	167.3	-21	34	0	0	0	112.1
164	Q	44.1	Very low	51.5	Low	193 Å²	193	97.8 Å²	97.8	90%	0.902	62%	0.616	S	S	*	*	S	Bend	trans	-73.2	175.9	173.7	-68.5	-174.2	-10.2	0	0	112.2
165	A	43.9	Very low	54.4	Low	88 Å²	88	101.4 Å²	101.4	73%	0.727	62%	0.619	S	S	*	*			trans	-53.8	150.7	-159.6	0	0	0	0	0	116.6
166	P	50.1	Low	57.5	Low	56 Å²	56	94 Å²	94	36%	0.364	59%	0.585	S	S	.	*			trans	-71.5	176.6	-179.9	31.6	-37.4	0	0	0	114
167	S	50.2	Low	60.1	Low	68 Å²	68	97.3 Å²	97.3	48%	0.476	60%	0.596	S	S	.	*			trans	-55.9	154.8	-172.5	60.4	0	0	0	0	115.5	D169	S167-D169 PolarHBondContact O-N 2.89Å; S167-D169 PolarHBondContact OG-OD2 3.41Å
168	S	54.1	Low	62.8	Low	121 Å²	121	96.4 Å²	96.4	85%	0.846	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	9.3	-171.1	47.3	0	0	0	0	118.4
169	D	65	Low	65.4	Low	67 Å²	67	98.4 Å²	98.4	36%	0.358	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-11.5	-157.4	-49.5	-38.6	0	0	0	114.1	S167 R191	S167-D169 PolarHBondContact O-N 2.89Å; S167-D169 PolarHBondContact OG-OD2 3.41Å; D169-R191 PolarHBondContact O-NE 3.01Å; D169-R191 PolarHBondContact O-NH2 2.79Å
170	F	71.6	Confident	68.2	Low	23 Å²	23	94.2 Å²	94.2	10%	0.101	55%	0.552	C	S	.	*			trans	-155.8	158.9	173.9	77.7	-74	0	0	0	110.5	P172 L185 R194 A198	F170-P172 HydrophobicContact CE2-CG 4.03Å; F170-L185 HydrophobicContact CZ-CD2 3.99Å; F170-R194 HydrophobicContact CD1-CB 4.31Å; F170-R194 HydrophobicContact CE1-CB 3.74Å; F170-R194 HydrophobicContact CZ-CB 3.99Å; F170-A198 HydrophobicContact CE2-CB 3.66Å; F170-A198 HydrophobicContact CZ-CB 4.43Å
171	V	77.3	Confident	71.4	Confident	121 Å²	121	85.6 Å²	85.6	73%	0.733	51%	0.512	S	S	*	.			trans	-115.5	119.2	-179.2	-176.9	0	0	0	0	109.1
172	P	84.6	Confident	74	Confident	50 Å²	50	85 Å²	85	33%	0.325	49%	0.492	S	S	.	.			trans	-59.1	153.5	170.3	-25.9	36.1	0	0	0	112.7	F170 C174 I176 A198	F170-P172 HydrophobicContact CE2-CG 4.03Å; P172-C174 VanDerWaalsContact C-N 3.25Å; P172-C174 WeakPolarHBondContact CB-O 3.42Å; P172-C174 PolarHBondContact O-N 3.04Å; P172-I176 HydrophobicContact CB-CD1 3.97Å; P172-I176 HydrophobicContact CB-CG1 4.41Å; P172-I176 HydrophobicContact CG-CD1 4.25Å; P172-A198 HydrophobicContact CB-CB 4.43Å
173	K	88.3	Confident	77	Confident	164 Å²	164	84 Å²	84	71%	0.713	48%	0.48	S	S	*	.	S	Bend	trans	-83.2	0.7	176.4	-66.6	178	178.5	162.4	0	113.8	N199 C202	K173-N199 WeakPolarHBondContact CD-OD1 3.42Å; K173-N199 WeakPolarHBondContact CE-OD1 3.37Å; K173-N199 PolarHBondContact NZ-OD1 3.05Å; K173-C202 HydrophobicContact CB-CB 4.46Å
174	C	92.3	Very high	79.5	Confident	39 Å²	39	79 Å²	79	26%	0.264	45%	0.448	S	S	.	.	S	Bend	trans	-165.1	167.2	-172.8	70.3	0	0	0	0	110.3	P172 I176 C202 Q205	P172-C174 VanDerWaalsContact C-N 3.25Å; P172-C174 WeakPolarHBondContact CB-O 3.42Å; P172-C174 PolarHBondContact O-N 3.04Å; C174-I176 PolarHBondContact O-N 2.59Å; C174-C202 HydrophobicContact CB-CB 3.86Å; C174-C202 WeakPolarHBondContact CB-SG 3.18Å; C174-C202 PolarHBondContact N-SG 3.15Å; C174-C202 VanDerWaalsContact N-SG 3.36Å; C174-C202 WeakPolarHBondContact SG-CA 3.24Å; C174-C202 WeakPolarHBondContact SG-CB 3.28Å; C174-C202 CovalentContact SG-SG 2.03Å; C174-C202 PolarHBondContact SG-SG 2.9Å; C174-Q205 PolarHBondContact SG-OE1 2.83Å
175	D	92.4	Very high	82	Confident	141 Å²	141	70 Å²	70	75%	0.754	41%	0.406	S	S	*	.			trans	-78.3	109.7	175.1	-62.6	-45.2	0	0	0	111.9	M177 Q205	D175-M177 PolarHBondContact O-N 3.48Å; D175-Q205 PolarHBondContact O-NE2 2.87Å
176	I	93.1	Very high	84.4	Confident	21 Å²	21	72.5 Å²	72.5	11%	0.108	40%	0.402	C	S	.	.			trans	-89.2	96.7	-179.2	-62.5	177.4	0	0	0	109.4	P172 C174 A181 L182 L185 A198 V201	P172-I176 HydrophobicContact CB-CD1 3.97Å; P172-I176 HydrophobicContact CB-CG1 4.41Å; P172-I176 HydrophobicContact CG-CD1 4.25Å; C174-I176 PolarHBondContact O-N 2.59Å; I176-A181 HydrophobicContact CG2-CB 3.74Å; I176-L182 HydrophobicContact CG2-CD2 4.29Å; I176-L182 HydrophobicContact CG2-CG 4.36Å; I176-L182 WeakPolarHBondContact O-CD2 3.48Å; I176-L185 HydrophobicContact CD1-CD1 3.92Å; I176-L185 HydrophobicContact CG2-CD1 4.19Å; I176-A198 HydrophobicContact CD1-CB 3.66Å; I176-V201 HydrophobicContact CD1-CB 4.47Å; I176-V201 HydrophobicContact CD1-CG1 4.41Å; I176-V201 HydrophobicContact CG1-CG1 4.09Å; I176-V201 HydrophobicContact CG2-CG1 4.11Å
177	M	89.8	Confident	86.6	Confident	155 Å²	155	74 Å²	74	76%	0.764	40%	0.401	S	S	*	.			trans	-97.9	-7.8	179.5	-57	-163.8	-60.2	0	0	114.5	D175 K179	D175-M177 PolarHBondContact O-N 3.48Å; M177-K179 PolarHBondContact O-N 2.59Å
178	G	93.7	Very high	88.7	Confident	35 Å²	35	70.8 Å²	70.8	36%	0.361	38%	0.379	S	S	.	.			trans	-71.9	122.6	-174.6	0	0	0	0	0	112.7	D180 A181 L182	G178-D180 VanDerWaalsContact C-N 3.27Å; G178-D180 PolarHBondContact O-N 2.89Å; G178-A181 PolarHBondContact O-N 2.86Å; G178-L182 WeakPolarHBondContact O-CG 3.49Å; G178-L182 PolarHBondContact O-N 3.44Å
179	K	96.4	Very high	90.5	Very high	166 Å²	166	68 Å²	68	72%	0.722	37%	0.369	S	S	*	.	H	α-helix	trans	-53.3	-41.4	179.8	-67.5	-174.1	178.1	-176.6	0	113.2	M177 S183	M177-K179 PolarHBondContact O-N 2.59Å; K179-S183 WeakPolarHBondContact O-CB 3.48Å; K179-S183 PolarHBondContact O-N 3.4Å
180	D	96.5	Very high	91.9	Very high	36 Å²	36	66.7 Å²	66.7	19%	0.193	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-54.3	177.2	-79.7	-2.9	0	0	0	111.3	G178 L182 S183 A184 R395	G178-D180 VanDerWaalsContact C-N 3.27Å; G178-D180 PolarHBondContact O-N 2.89Å; D180-L182 PolarHBondContact O-N 3.33Å; D180-S183 WeakPolarHBondContact O-CB 3.47Å; D180-S183 PolarHBondContact O-N 2.89Å; D180-A184 PolarHBondContact O-N 3.37Å; D180-R395 IonicContact OD1-CZ 3.14Å; D180-R395 IonicContact OD1-NE 2.78Å; D180-R395 IonicContact OD1-NH2 3.75Å; D180-R395 PolarHBondContact OD1-NH2 2.86Å; D180-R395 IonicContact OD2-CZ 3.53Å; D180-R395 IonicContact OD2-NE 2.68Å; D180-R395 PolarHBondContact OD2-NE 2.72Å; D180-R395 IonicContact OD2-NH2 3.27Å; D180-R395 PolarHBondContact OD2-NH2 3.15Å
181	A	96.9	Very high	93	Very high	1 Å²	1	73.4 Å²	73.4	1%	0.008	39%	0.39	C	S	.	.	H	α-helix	trans	-56.6	-43.9	175.6	0	0	0	0	0	113.2	I176 G178 A184 L185 V201 L396	I176-A181 HydrophobicContact CG2-CB 3.74Å; G178-A181 PolarHBondContact O-N 2.86Å; A181-A184 PolarHBondContact O-N 3.19Å; A181-L185 WeakPolarHBondContact O-CB 3.47Å; A181-L185 VanDerWaalsContact O-CG 3.3Å; A181-L185 WeakPolarHBondContact O-CG 3.47Å; A181-L185 PolarHBondContact O-N 2.99Å; A181-V201 HydrophobicContact CB-CG1 4.19Å; A181-V201 HydrophobicContact CB-CG2 3.73Å; A181-L396 PolarHBondContact N-O 2.82Å
182	L	96.3	Very high	93.8	Very high	60 Å²	60	74 Å²	74	31%	0.314	39%	0.385	S	S	.	.	H	α-helix	trans	-63.5	-41.7	176.7	-72.5	169.7	0	0	0	111.8	I176 G178 D180 L185 H186	I176-L182 HydrophobicContact CG2-CD2 4.29Å; I176-L182 HydrophobicContact CG2-CG 4.36Å; I176-L182 WeakPolarHBondContact O-CD2 3.48Å; G178-L182 WeakPolarHBondContact O-CG 3.49Å; G178-L182 PolarHBondContact O-N 3.44Å; D180-L182 PolarHBondContact O-N 3.33Å; L182-L185 PolarHBondContact O-N 3.41Å; L182-H186 WeakPolarHBondContact O-CB 3.36Å; L182-H186 PolarHBondContact O-N 2.87Å
183	S	96.4	Very high	94.3	Very high	53 Å²	53	71.7 Å²	71.7	37%	0.371	37%	0.37	S	S	.	.	H	α-helix	trans	-63.2	-39.7	173.6	176.4	0	0	0	0	112.5	K179 D180 R187	K179-S183 WeakPolarHBondContact O-CB 3.48Å; K179-S183 PolarHBondContact O-N 3.4Å; D180-S183 WeakPolarHBondContact O-CB 3.47Å; D180-S183 PolarHBondContact O-N 2.89Å; S183-R187 WeakPolarHBondContact O-CB 3.47Å; S183-R187 VanDerWaalsContact O-CG 3.31Å; S183-R187 WeakPolarHBondContact O-CG 3.48Å; S183-R187 PolarHBondContact O-N 3.03Å; S183-R187 PolarHBondContact O-NE 3.02Å; S183-R187 PolarHBondContact OG-NE 3.31Å; S183-R187 VanDerWaalsContact OG-NE 3.12Å; S183-R187 PolarHBondContact OG-NH2 3.46Å
184	A	96.9	Very high	94.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.4	-45.8	174.9	0	0	0	0	0	111.6	D180 A181 H186 R187 A188 I197 W394 L396	D180-A184 PolarHBondContact O-N 3.37Å; A181-A184 PolarHBondContact O-N 3.19Å; A184-H186 VanDerWaalsContact C-N 3.32Å; A184-H186 PolarHBondContact O-N 3.49Å; A184-R187 PolarHBondContact O-N 3.44Å; A184-R187 VanDerWaalsContact O-N 3.14Å; A184-A188 VanDerWaalsContact O-CB 3.3Å; A184-A188 WeakPolarHBondContact O-CB 3.33Å; A184-A188 PolarHBondContact O-N 3.49Å; A184-I197 HydrophobicContact CB-CD1 4.17Å; A184-I197 HydrophobicContact CB-CG2 4.48Å; A184-W394 HydrophobicContact CB-CB 4.13Å; A184-W394 HydrophobicContact CB-CD2 4.33Å; A184-W394 HydrophobicContact CB-CE3 3.85Å; A184-W394 HydrophobicContact CB-CG 4.49Å; A184-L396 HydrophobicContact CB-CD2 3.92Å
185	L	96.1	Very high	94.8	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-35.2	177.4	-73.3	177.1	0	0	0	113.4	F170 I176 A181 L182 R194 I197 A198	F170-L185 HydrophobicContact CZ-CD2 3.99Å; I176-L185 HydrophobicContact CD1-CD1 3.92Å; I176-L185 HydrophobicContact CG2-CD1 4.19Å; A181-L185 WeakPolarHBondContact O-CB 3.47Å; A181-L185 VanDerWaalsContact O-CG 3.3Å; A181-L185 WeakPolarHBondContact O-CG 3.47Å; A181-L185 PolarHBondContact O-N 2.99Å; L182-L185 PolarHBondContact O-N 3.41Å; L185-R194 HydrophobicContact CD2-CB 4.07Å; L185-R194 HydrophobicContact CD2-CG 4.45Å; L185-R194 WeakPolarHBondContact CD2-O 3.45Å; L185-R194 WeakPolarHBondContact O-CD 3.4Å; L185-I197 HydrophobicContact CD2-CB 3.84Å; L185-I197 HydrophobicContact CD2-CG2 3.58Å; L185-I197 HydrophobicContact CG-CG2 3.83Å; L185-A198 HydrophobicContact CD2-CB 4.43Å
186	H	94.6	Very high	95	Very high	139 Å²	139	62.5 Å²	62.5	64%	0.644	32%	0.319	S	S	*	.	H	α-helix	trans	-71.5	-32.8	175	-177.3	-68.2	0	0	0	112.7	L182 A184	L182-H186 WeakPolarHBondContact O-CB 3.36Å; L182-H186 PolarHBondContact O-N 2.87Å; A184-H186 VanDerWaalsContact C-N 3.32Å; A184-H186 PolarHBondContact O-N 3.49Å
187	R	95.8	Very high	95.2	Very high	87 Å²	87	61.5 Å²	61.5	33%	0.328	31%	0.314	S	S	.	.	H	α-helix	trans	-93.4	-24.3	-175	-71.2	179.6	-63	129.2	-0.3	114.3	S183 A184 G189 W394 D488	S183-R187 WeakPolarHBondContact O-CB 3.47Å; S183-R187 VanDerWaalsContact O-CG 3.31Å; S183-R187 WeakPolarHBondContact O-CG 3.48Å; S183-R187 PolarHBondContact O-N 3.03Å; S183-R187 PolarHBondContact O-NE 3.02Å; S183-R187 PolarHBondContact OG-NE 3.31Å; S183-R187 VanDerWaalsContact OG-NE 3.12Å; S183-R187 PolarHBondContact OG-NH2 3.46Å; A184-R187 PolarHBondContact O-N 3.44Å; A184-R187 VanDerWaalsContact O-N 3.14Å; R187-G189 PolarHBondContact O-N 2.82Å; R187-W394 HydrophobicContact CB-CH2 3.91Å; R187-W394 HydrophobicContact CB-CZ3 3.56Å; R187-D488 IonicContact CZ-OD1 3.69Å; R187-D488 IonicContact CZ-OD2 2.71Å; R187-D488 IonicContact NH1-OD1 2.69Å; R187-D488 PolarHBondContact NH1-OD1 2.89Å; R187-D488 IonicContact NH1-OD2 2.73Å; R187-D488 VanDerWaalsContact NH2-CG 3.32Å; R187-D488 IonicContact NH2-OD1 2.74Å; R187-D488 PolarHBondContact NH2-OD1 3Å; R187-D488 VanDerWaalsContact NH2-OD1 3.12Å; R187-D488 IonicContact NH2-OD2 3.77Å; R187-D488 PolarHBondContact NH2-OD2 2.81Å
188	A	94.9	Very high	95.5	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.017	28%	0.278	C	S	.	.			trans	-67.8	121.4	-178.8	0	0	0	0	0	111.4	A184 C193 R194 I197 W394	A184-A188 VanDerWaalsContact O-CB 3.3Å; A184-A188 WeakPolarHBondContact O-CB 3.33Å; A184-A188 PolarHBondContact O-N 3.49Å; A188-C193 HydrophobicContact CB-CB 4.31Å; A188-R194 HydrophobicContact CB-CG 3.84Å; A188-R194 PolarHBondContact O-NH1 3.48Å; A188-I197 HydrophobicContact CB-CD1 3.88Å; A188-W394 HydrophobicContact CB-CH2 4.09Å; A188-W394 HydrophobicContact CB-CZ2 3.83Å
189	G	92.3	Very high	95.6	Very high	63 Å²	63	54.3 Å²	54.3	65%	0.649	27%	0.27	S	S	*	.			trans	-73.3	-42.4	-169.5	0	0	0	0	0	113.7	R187 R194 D390	R187-G189 PolarHBondContact O-N 2.82Å; G189-R194 VanDerWaalsContact C-NH1 3.29Å; G189-R194 PolarHBondContact O-NH1 3.1Å; G189-D390 PolarHBondContact N-OD2 2.97Å
190	S	94.8	Very high	95.6	Very high	38 Å²	38	46.9 Å²	46.9	27%	0.266	24%	0.238	S	C	.	.	S	Bend	trans	-86.9	144.8	-177.5	83.9	0	0	0	0	112.9	Q192 C193 R194 D390	S190-Q192 PolarHBondContact O-N 2.74Å; S190-C193 PolarHBondContact O-N 3.26Å; S190-C193 VanDerWaalsContact OG-CB 3.26Å; S190-C193 WeakPolarHBondContact OG-CB 3.46Å; S190-C193 PolarHBondContact OG-N 3.4Å; S190-R194 PolarHBondContact O-N 3.2Å; S190-R194 VanDerWaalsContact O-N 3.1Å; S190-D390 VanDerWaalsContact CB-OD1 3.26Å; S190-D390 WeakPolarHBondContact CB-OD1 3.32Å; S190-D390 WeakPolarHBondContact CB-OD2 3.42Å; S190-D390 PolarHBondContact N-OD2 2.88Å; S190-D390 VanDerWaalsContact OG-CG 3.29Å; S190-D390 PolarHBondContact OG-OD1 3.03Å; S190-D390 PolarHBondContact OG-OD2 3.37Å
191	R	93.1	Very high	95.7	Very high	164 Å²	164	45.7 Å²	45.7	62%	0.619	23%	0.233	S	C	*	.	H	α-helix	trans	-59.2	-33.3	172	-172.4	-176	-176	-147.2	4.3	111.7	D169 Q195	D169-R191 PolarHBondContact O-NE 3.01Å; D169-R191 PolarHBondContact O-NH2 2.79Å; R191-Q195 WeakPolarHBondContact O-CB 3.42Å; R191-Q195 PolarHBondContact O-N 3.05Å
192	Q	94.6	Very high	95.7	Very high	135 Å²	135	46.3 Å²	46.3	63%	0.631	24%	0.237	S	C	*	.	H	α-helix	trans	-64.5	-52.7	176.2	177.9	178.4	-19.7	0	0	111	S190 R194 Q195 E196	S190-Q192 PolarHBondContact O-N 2.74Å; Q192-R194 VanDerWaalsContact C-N 3.33Å; Q192-R194 PolarHBondContact O-N 2.67Å; Q192-Q195 CarbonylContact O-C 3.58Å; Q192-Q195 PolarHBondContact O-N 3.2Å; Q192-E196 HydrophobicContact CG-CG 4.39Å; Q192-E196 VanDerWaalsContact CG-OE1 3.28Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.42Å; Q192-E196 PolarHBondContact NE2-OE1 2.99Å; Q192-E196 WeakPolarHBondContact O-CG 3.29Å; Q192-E196 PolarHBondContact O-N 3.11Å
193	C	96.1	Very high	95.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-41	-179.7	-175.8	0	0	0	0	111.6	A188 S190 Q195 E196 I197 C389 D390 W394	A188-C193 HydrophobicContact CB-CB 4.31Å; S190-C193 PolarHBondContact O-N 3.26Å; S190-C193 VanDerWaalsContact OG-CB 3.26Å; S190-C193 WeakPolarHBondContact OG-CB 3.46Å; S190-C193 PolarHBondContact OG-N 3.4Å; C193-Q195 PolarHBondContact O-N 2.98Å; C193-E196 PolarHBondContact O-N 3.1Å; C193-I197 WeakPolarHBondContact O-CB 3.24Å; C193-I197 WeakPolarHBondContact O-CD1 3.41Å; C193-I197 WeakPolarHBondContact O-CG1 3.28Å; C193-I197 PolarHBondContact O-N 2.7Å; C193-C389 WeakPolarHBondContact CA-SG 3.33Å; C193-C389 HydrophobicContact CB-CB 3.64Å; C193-C389 WeakPolarHBondContact CB-SG 3.4Å; C193-C389 VanDerWaalsContact SG-C 3.56Å; C193-C389 WeakPolarHBondContact SG-CB 3.19Å; C193-C389 CovalentContact SG-SG 2.04Å; C193-C389 PolarHBondContact SG-SG 3.48Å; C193-D390 HydrophobicContact CB-CB 4.38Å; C193-D390 VanDerWaalsContact CB-CG 3.42Å; C193-D390 WeakPolarHBondContact CB-OD1 3.41Å; C193-D390 WeakPolarHBondContact CB-OD2 3.33Å; C193-W394 PolarHBondContact SG-NE1 2.89Å
194	R	95.8	Very high	95.7	Very high	36 Å²	36	47.5 Å²	47.5	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-44.1	171.1	-68.1	-166.3	-64.6	-86.1	11.3	112.7	F170 L185 A188 G189 S190 Q192 A198	F170-R194 HydrophobicContact CD1-CB 4.31Å; F170-R194 HydrophobicContact CE1-CB 3.74Å; F170-R194 HydrophobicContact CZ-CB 3.99Å; L185-R194 HydrophobicContact CD2-CB 4.07Å; L185-R194 HydrophobicContact CD2-CG 4.45Å; L185-R194 WeakPolarHBondContact CD2-O 3.45Å; L185-R194 WeakPolarHBondContact O-CD 3.4Å; A188-R194 HydrophobicContact CB-CG 3.84Å; A188-R194 PolarHBondContact O-NH1 3.48Å; G189-R194 VanDerWaalsContact C-NH1 3.29Å; G189-R194 PolarHBondContact O-NH1 3.1Å; S190-R194 PolarHBondContact O-N 3.2Å; S190-R194 VanDerWaalsContact O-N 3.1Å; Q192-R194 VanDerWaalsContact C-N 3.33Å; Q192-R194 PolarHBondContact O-N 2.67Å; R194-A198 WeakPolarHBondContact O-CB 3.49Å; R194-A198 PolarHBondContact O-N 2.91Å
195	Q	94.5	Very high	95.6	Very high	59 Å²	59	52.3 Å²	52.3	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-68.7	-37.4	178.7	-177.6	61.4	89.5	0	0	112.9	R191 Q192 C193 N199	R191-Q195 WeakPolarHBondContact O-CB 3.42Å; R191-Q195 PolarHBondContact O-N 3.05Å; Q192-Q195 CarbonylContact O-C 3.58Å; Q192-Q195 PolarHBondContact O-N 3.2Å; C193-Q195 PolarHBondContact O-N 2.98Å; Q195-N199 PolarHBondContact NE2-ND2 3.48Å; Q195-N199 PolarHBondContact O-N 3.42Å; Q195-N199 PolarHBondContact O-ND2 3.06Å
196	E	96.3	Very high	95.6	Very high	56 Å²	56	54.6 Å²	54.6	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-52.7	174	-73.8	175.2	-165.2	0	0	111	Q192 C193 A198 N199 I200 H387 C389	Q192-E196 HydrophobicContact CG-CG 4.39Å; Q192-E196 VanDerWaalsContact CG-OE1 3.28Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.42Å; Q192-E196 PolarHBondContact NE2-OE1 2.99Å; Q192-E196 WeakPolarHBondContact O-CG 3.29Å; Q192-E196 PolarHBondContact O-N 3.11Å; C193-E196 PolarHBondContact O-N 3.1Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 2.91Å; E196-N199 PolarHBondContact O-N 2.86Å; E196-N199 VanDerWaalsContact O-N 3.11Å; E196-I200 HydrophobicContact CB-CD1 4.47Å; E196-I200 WeakPolarHBondContact O-CD1 3.4Å; E196-I200 VanDerWaalsContact O-CG1 3.28Å; E196-I200 WeakPolarHBondContact O-CG1 3.33Å; E196-I200 PolarHBondContact O-N 2.83Å; E196-H387 IonicContact OE2-CD2 2.66Å; E196-H387 IonicContact OE2-CE1 3.36Å; E196-H387 IonicContact OE2-NE2 3.58Å; E196-H387 PolarHBondContact OE2-NE2 3.44Å; E196-C389 WeakPolarHBondContact OE2-CB 3.4Å
197	I	97.4	Very high	95.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-51.1	-49.3	176.1	-71.1	164.5	0	0	0	110.5	A184 L185 A188 C193 N199 I200 V201 W394 L396	A184-I197 HydrophobicContact CB-CD1 4.17Å; A184-I197 HydrophobicContact CB-CG2 4.48Å; L185-I197 HydrophobicContact CD2-CB 3.84Å; L185-I197 HydrophobicContact CD2-CG2 3.58Å; L185-I197 HydrophobicContact CG-CG2 3.83Å; A188-I197 HydrophobicContact CB-CD1 3.88Å; C193-I197 WeakPolarHBondContact O-CB 3.24Å; C193-I197 WeakPolarHBondContact O-CD1 3.41Å; C193-I197 WeakPolarHBondContact O-CG1 3.28Å; C193-I197 PolarHBondContact O-N 2.7Å; I197-N199 PolarHBondContact O-N 2.97Å; I197-I200 PolarHBondContact O-N 3.25Å; I197-V201 HydrophobicContact CG2-CG2 4.39Å; I197-V201 WeakPolarHBondContact O-CB 3.33Å; I197-V201 VanDerWaalsContact O-CG2 3.24Å; I197-V201 WeakPolarHBondContact O-CG2 3.28Å; I197-V201 PolarHBondContact O-N 2.66Å; I197-W394 HydrophobicContact CD1-CB 4.46Å; I197-W394 HydrophobicContact CD1-CD2 4.25Å; I197-W394 HydrophobicContact CD1-CG 4Å; I197-L396 HydrophobicContact CB-CD2 4.49Å; I197-L396 HydrophobicContact CG1-CD2 4.19Å; I197-L396 HydrophobicContact CG2-CD2 3.71Å
198	A	96.5	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-41.6	179.9	0	0	0	0	0	113.2	F170 P172 I176 L185 R194 E196 C202	F170-A198 HydrophobicContact CE2-CB 3.66Å; F170-A198 HydrophobicContact CZ-CB 4.43Å; P172-A198 HydrophobicContact CB-CB 4.43Å; I176-A198 HydrophobicContact CD1-CB 3.66Å; L185-A198 HydrophobicContact CD2-CB 4.43Å; R194-A198 WeakPolarHBondContact O-CB 3.49Å; R194-A198 PolarHBondContact O-N 2.91Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 2.91Å; A198-C202 PolarHBondContact O-N 3.07Å; A198-C202 VanDerWaalsContact O-N 3.08Å; A198-C202 PolarHBondContact O-SG 2.74Å
199	N	96	Very high	95.7	Very high	38 Å²	38	52.9 Å²	52.9	20%	0.203	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-45.9	175.9	-79.7	-57.3	0	0	0	111.8	K173 Q195 E196 I197 C202 Q203	K173-N199 WeakPolarHBondContact CD-OD1 3.42Å; K173-N199 WeakPolarHBondContact CE-OD1 3.37Å; K173-N199 PolarHBondContact NZ-OD1 3.05Å; Q195-N199 PolarHBondContact NE2-ND2 3.48Å; Q195-N199 PolarHBondContact O-N 3.42Å; Q195-N199 PolarHBondContact O-ND2 3.06Å; E196-N199 PolarHBondContact O-N 2.86Å; E196-N199 VanDerWaalsContact O-N 3.11Å; I197-N199 PolarHBondContact O-N 2.97Å; N199-C202 PolarHBondContact O-N 2.89Å; N199-Q203 WeakPolarHBondContact O-CG 3.5Å; N199-Q203 PolarHBondContact O-N 2.83Å
200	I	97	Very high	95.9	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-44	-178	-68.3	161	0	0	0	110.6	E196 I197 Q203 H204 L209 L385 H387 L396 Y441	E196-I200 HydrophobicContact CB-CD1 4.47Å; E196-I200 WeakPolarHBondContact O-CD1 3.4Å; E196-I200 VanDerWaalsContact O-CG1 3.28Å; E196-I200 WeakPolarHBondContact O-CG1 3.33Å; E196-I200 PolarHBondContact O-N 2.83Å; I197-I200 PolarHBondContact O-N 3.25Å; I200-Q203 PolarHBondContact O-N 2.91Å; I200-H204 WeakPolarHBondContact O-CB 3.42Å; I200-H204 PolarHBondContact O-N 2.85Å; I200-L209 HydrophobicContact CG2-CD2 3.7Å; I200-L385 HydrophobicContact CG2-CD2 4.17Å; I200-H387 HydrophobicContact CD1-CB 4.01Å; I200-H387 VanDerWaalsContact CD1-CD2 3.5Å; I200-H387 WeakPolarHBondContact CD1-CD2 3.49Å; I200-H387 WeakPolarHBondContact CD1-ND1 3.37Å; I200-L396 HydrophobicContact CB-CD1 4.37Å; I200-L396 HydrophobicContact CG2-CD1 3.81Å; I200-Y441 HydrophobicContact CD1-CE1 3.82Å; I200-Y441 HydrophobicContact CG1-CE1 3.98Å; I200-Y441 HydrophobicContact CG2-CD1 4.11Å; I200-Y441 HydrophobicContact CG2-CE1 3.98Å
201	V	97.3	Very high	95.9	Very high	12 Å²	12	50.4 Å²	50.4	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-44.1	176.8	172.7	0	0	0	0	111.1	I176 A181 I197 Q203 H204 Q205 L396	I176-V201 HydrophobicContact CD1-CB 4.47Å; I176-V201 HydrophobicContact CD1-CG1 4.41Å; I176-V201 HydrophobicContact CG1-CG1 4.09Å; I176-V201 HydrophobicContact CG2-CG1 4.11Å; A181-V201 HydrophobicContact CB-CG1 4.19Å; A181-V201 HydrophobicContact CB-CG2 3.73Å; I197-V201 HydrophobicContact CG2-CG2 4.39Å; I197-V201 WeakPolarHBondContact O-CB 3.33Å; I197-V201 VanDerWaalsContact O-CG2 3.24Å; I197-V201 WeakPolarHBondContact O-CG2 3.28Å; I197-V201 PolarHBondContact O-N 2.66Å; V201-Q203 PolarHBondContact O-N 2.87Å; V201-H204 PolarHBondContact O-N 2.98Å; V201-Q205 HydrophobicContact CG1-CG 4.45Å; V201-Q205 WeakPolarHBondContact O-CG 3.45Å; V201-Q205 PolarHBondContact O-N 3.17Å; V201-Q205 PolarHBondContact O-OE1 2.94Å; V201-L396 HydrophobicContact CG2-CB 4.11Å; V201-L396 HydrophobicContact CG2-CD1 4.14Å
202	C	96.6	Very high	96	Very high	14 Å²	14	51.4 Å²	51.4	10%	0.095	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-41.6	175.5	-64.2	0	0	0	0	113	K173 C174 A198 N199 H204 Q205 A206	K173-C202 HydrophobicContact CB-CB 4.46Å; C174-C202 HydrophobicContact CB-CB 3.86Å; C174-C202 WeakPolarHBondContact CB-SG 3.18Å; C174-C202 PolarHBondContact N-SG 3.15Å; C174-C202 VanDerWaalsContact N-SG 3.36Å; C174-C202 WeakPolarHBondContact SG-CA 3.24Å; C174-C202 WeakPolarHBondContact SG-CB 3.28Å; C174-C202 CovalentContact SG-SG 2.03Å; C174-C202 PolarHBondContact SG-SG 2.9Å; A198-C202 PolarHBondContact O-N 3.07Å; A198-C202 VanDerWaalsContact O-N 3.08Å; A198-C202 PolarHBondContact O-SG 2.74Å; N199-C202 PolarHBondContact O-N 2.89Å; C202-H204 VanDerWaalsContact C-N 3.3Å; C202-H204 PolarHBondContact O-N 3.35Å; C202-Q205 PolarHBondContact O-N 2.78Å; C202-A206 WeakPolarHBondContact O-CB 3.48Å; C202-A206 PolarHBondContact O-N 3.01Å
203	Q	96.8	Very high	96	Very high	87 Å²	87	47.8 Å²	47.8	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-33.5	176.2	-73.6	176	-42.7	0	0	112.4	N199 I200 V201 G207 Q208 L209	N199-Q203 WeakPolarHBondContact O-CG 3.5Å; N199-Q203 PolarHBondContact O-N 2.83Å; I200-Q203 PolarHBondContact O-N 2.91Å; V201-Q203 PolarHBondContact O-N 2.87Å; Q203-G207 PolarHBondContact O-N 2.82Å; Q203-Q208 PolarHBondContact O-N 2.95Å; Q203-L209 HydrophobicContact CB-CB 4.09Å; Q203-L209 HydrophobicContact CB-CD1 4.17Å; Q203-L209 PolarHBondContact O-N 3.33Å
204	H	96.9	Very high	96	Very high	50 Å²	50	48.4 Å²	48.4	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-71.7	-45.9	174.7	-170.3	58.5	0	0	0	112	I200 V201 C202 A206 G207 L209 L385 E398	I200-H204 WeakPolarHBondContact O-CB 3.42Å; I200-H204 PolarHBondContact O-N 2.85Å; V201-H204 PolarHBondContact O-N 2.98Å; C202-H204 VanDerWaalsContact C-N 3.3Å; C202-H204 PolarHBondContact O-N 3.35Å; H204-A206 VanDerWaalsContact C-N 3.28Å; H204-A206 PolarHBondContact O-N 3.04Å; H204-G207 WeakPolarHBondContact O-CA 3.37Å; H204-G207 PolarHBondContact O-N 2.73Å; H204-L209 HydrophobicContact CB-CB 4.22Å; H204-L209 HydrophobicContact CB-CD2 3.95Å; H204-L385 HydrophobicContact CB-CD2 3.89Å; H204-E398 PolarHBondContact NE2-O 2.89Å
205	Q	95.3	Very high	96	Very high	101 Å²	101	48.3 Å²	48.3	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-36.2	173.9	-74.2	172.6	-69.3	0	0	112.4	C174 D175 V201 C202 G207	C174-Q205 PolarHBondContact SG-OE1 2.83Å; D175-Q205 PolarHBondContact O-NE2 2.87Å; V201-Q205 HydrophobicContact CG1-CG 4.45Å; V201-Q205 WeakPolarHBondContact O-CG 3.45Å; V201-Q205 PolarHBondContact O-N 3.17Å; V201-Q205 PolarHBondContact O-OE1 2.94Å; C202-Q205 PolarHBondContact O-N 2.78Å; Q205-G207 PolarHBondContact O-N 2.72Å
206	A	95.8	Very high	95.9	Very high	55 Å²	55	49.3 Å²	49.3	46%	0.455	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.1	173.4	0	0	0	0	0	113.9	C202 H204 Q208	C202-A206 WeakPolarHBondContact O-CB 3.48Å; C202-A206 PolarHBondContact O-N 3.01Å; H204-A206 VanDerWaalsContact C-N 3.28Å; H204-A206 PolarHBondContact O-N 3.04Å; A206-Q208 VanDerWaalsContact C-N 3.29Å; A206-Q208 HydrophobicContact CB-CB 4.49Å; A206-Q208 HydrophobicContact CB-CG 3.96Å; A206-Q208 PolarHBondContact O-N 3.33Å
207	G	95.5	Very high	95.8	Very high	33 Å²	33	49.4 Å²	49.4	34%	0.34	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	30.1	-177.3	0	0	0	0	0	113.7	Q203 H204 Q205 R212	Q203-G207 PolarHBondContact O-N 2.82Å; H204-G207 WeakPolarHBondContact O-CA 3.37Å; H204-G207 PolarHBondContact O-N 2.73Å; Q205-G207 PolarHBondContact O-N 2.72Å; G207-R212 PolarHBondContact O-NH2 2.76Å
208	Q	95.8	Very high	95.5	Very high	151 Å²	151	50.3 Å²	50.3	71%	0.706	27%	0.266	S	S	*	.			trans	-109.5	-15.1	-176.1	-65.8	175.5	-2.2	0	0	113.6	Q203 A206	Q203-Q208 PolarHBondContact O-N 2.95Å; A206-Q208 VanDerWaalsContact C-N 3.29Å; A206-Q208 HydrophobicContact CB-CB 4.49Å; A206-Q208 HydrophobicContact CB-CG 3.96Å; A206-Q208 PolarHBondContact O-N 3.33Å
209	L	96.3	Very high	95	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.037	30%	0.299	C	S	.	.	S	Bend	trans	-85	-41.8	-173.8	-170.8	73.5	0	0	0	114.4	I200 Q203 H204 L385 Q437 Y441	I200-L209 HydrophobicContact CG2-CD2 3.7Å; Q203-L209 HydrophobicContact CB-CB 4.09Å; Q203-L209 HydrophobicContact CB-CD1 4.17Å; Q203-L209 PolarHBondContact O-N 3.33Å; H204-L209 HydrophobicContact CB-CB 4.22Å; H204-L209 HydrophobicContact CB-CD2 3.95Å; L209-L385 HydrophobicContact CD2-CD1 3.86Å; L209-L385 HydrophobicContact CD2-CD2 3.96Å; L209-Q437 WeakPolarHBondContact O-CG 3.49Å; L209-Q437 PolarHBondContact O-NE2 2.58Å; L209-Y441 HydrophobicContact CD1-CD2 4.47Å; L209-Y441 HydrophobicContact CD1-CE2 3.85Å; L209-Y441 HydrophobicContact CD2-CD2 4.48Å; L209-Y441 HydrophobicContact CD2-CG 4.49Å; L209-Y441 HydrophobicContact CG-CD2 4.46Å; L209-Y441 HydrophobicContact CG-CE2 4.31Å
210	M	96.3	Very high	94.3	Very high	22 Å²	22	58 Å²	58	11%	0.108	31%	0.312	C	S	.	.	S	Bend	trans	-108.9	141.4	-171	-67	-77.1	98.8	0	0	111.2	L385 R399 F438 Y441	M210-L385 HydrophobicContact CE-CD1 4.21Å; M210-L385 HydrophobicContact CG-CD1 4.47Å; M210-L385 HydrophobicContact SD-CD1 4.15Å; M210-R399 PolarHBondContact SD-NH1 2.98Å; M210-R399 VanDerWaalsContact SD-NH1 3.35Å; M210-F438 HydrophobicContact SD-CD2 3.95Å; M210-Y441 HydrophobicContact CE-CD2 3.58Å; M210-Y441 HydrophobicContact CE-CE2 4.47Å; M210-Y441 HydrophobicContact CE-CG 4.13Å
211	P	95.1	Very high	92.5	Very high	27 Å²	27	66.9 Å²	66.9	18%	0.175	35%	0.353	C	S	.	.			trans	-64.7	141.7	171.8	27.9	-33.5	0	0	0	110.7	L214 P402 F438	P211-L214 HydrophobicContact CB-CD2 3.83Å; P211-L214 HydrophobicContact CB-CG 4.23Å; P211-L214 HydrophobicContact CG-CD1 4.27Å; P211-L214 HydrophobicContact CG-CD2 4.23Å; P211-L214 HydrophobicContact CG-CG 4.39Å; P211-P402 HydrophobicContact CG-CG 4.04Å; P211-F438 HydrophobicContact CG-CB 4.34Å
212	R	93.3	Very high	90.6	Very high	186 Å²	186	67.8 Å²	67.8	70%	0.702	37%	0.365	S	S	*	.	S	Bend	trans	-89.3	-37.2	-178.5	-60.8	-174.9	-172.7	-169	1.8	112.9	G207 P402 E403	G207-R212 PolarHBondContact O-NH2 2.76Å; R212-P402 CarbonylContact O-C 3.52Å; R212-P402 WeakPolarHBondContact O-CA 3.28Å; R212-E403 PolarHBondContact O-N 2.86Å
213	A	96.3	Very high	88.6	Confident	59 Å²	59	71.5 Å²	71.5	49%	0.488	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-137.4	157	173.5	0	0	0	0	0	108.9	E403	A213-E403 CarbonylContact C-O 3.57Å; A213-E403 WeakPolarHBondContact CA-O 3.38Å; A213-E403 HydrophobicContact CB-CB 4Å
214	L	96.4	Very high	86.2	Confident	14 Å²	14	72.4 Å²	72.4	7%	0.073	40%	0.396	C	S	.	.			trans	-140.6	146.1	173.1	-65.4	175.7	0	0	0	109.7	P211 P402 E403 L405 E430 L435	P211-L214 HydrophobicContact CB-CD2 3.83Å; P211-L214 HydrophobicContact CB-CG 4.23Å; P211-L214 HydrophobicContact CG-CD1 4.27Å; P211-L214 HydrophobicContact CG-CD2 4.23Å; P211-L214 HydrophobicContact CG-CG 4.39Å; L214-P402 HydrophobicContact CD1-CB 4.11Å; L214-P402 HydrophobicContact CD1-CG 4.01Å; L214-P402 HydrophobicContact CG-CB 3.96Å; L214-P402 HydrophobicContact CG-CG 4.33Å; L214-E403 PolarHBondContact N-O 2.85Å; L214-L405 HydrophobicContact CB-CD1 4.44Å; L214-L405 HydrophobicContact CD1-CD1 4.16Å; L214-L405 HydrophobicContact CD1-CD2 4.25Å; L214-E430 WeakPolarHBondContact CD2-O 3.46Å; L214-L435 HydrophobicContact CD1-CD2 3.69Å; L214-L435 HydrophobicContact CD1-CG 4.02Å
215	P	94.2	Very high	84	Confident	33 Å²	33	72.4 Å²	72.4	21%	0.214	40%	0.401	C	S	.	.			trans	-74.8	142.7	-179.5	29.6	-34.1	0	0	0	112.5	F217 E430 L431	P215-F217 HydrophobicContact CB-CD1 4.38Å; P215-F217 HydrophobicContact CB-CE1 3.85Å; P215-F217 HydrophobicContact CB-CE2 4.28Å; P215-F217 HydrophobicContact CB-CZ 3.8Å; P215-F217 HydrophobicContact CG-CD2 4.49Å; P215-F217 HydrophobicContact CG-CE1 4.03Å; P215-F217 HydrophobicContact CG-CE2 3.71Å; P215-F217 HydrophobicContact CG-CZ 3.43Å; P215-F217 VanDerWaalsContact CG-CZ 3.43Å; P215-E430 HydrophobicContact CG-CB 4.03Å; P215-L431 HydrophobicContact CG-CB 4.24Å
216	Q	92.6	Very high	81.8	Confident	80 Å²	80	73 Å²	73	37%	0.374	41%	0.414	S	S	.	.			trans	-98.1	111.9	166.4	-169.1	172.1	25.4	0	0	108.6	C218 E406 N456	Q216-C218 HydrophobicContact CG-CB 4.41Å; Q216-E406 PolarHBondContact NE2-OE2 2.85Å; Q216-N456 HydrophobicContact CG-CB 4.48Å
217	F	94.4	Very high	79.7	Confident	58 Å²	58	76.4 Å²	76.4	25%	0.254	43%	0.429	S	S	.	.			trans	-95.1	-9.5	-179.3	-65.2	-51.3	0	0	0	113.7	P215 D429 L431 N456 H458	P215-F217 HydrophobicContact CB-CD1 4.38Å; P215-F217 HydrophobicContact CB-CE1 3.85Å; P215-F217 HydrophobicContact CB-CE2 4.28Å; P215-F217 HydrophobicContact CB-CZ 3.8Å; P215-F217 HydrophobicContact CG-CD2 4.49Å; P215-F217 HydrophobicContact CG-CE1 4.03Å; P215-F217 HydrophobicContact CG-CE2 3.71Å; P215-F217 HydrophobicContact CG-CZ 3.43Å; P215-F217 VanDerWaalsContact CG-CZ 3.43Å; F217-D429 HydrophobicContact CE2-CB 3.96Å; F217-D429 HydrophobicContact CZ-CB 4.3Å; F217-L431 HydrophobicContact CD2-CB 4.02Å; F217-L431 HydrophobicContact CD2-CD2 3.92Å; F217-L431 HydrophobicContact CE2-CB 3.74Å; F217-N456 CarbonylContact C-O 3.55Å; F217-N456 WeakPolarHBondContact CA-O 3.44Å; F217-N456 WeakPolarHBondContact CB-O 3.37Å; F217-N456 PolarHBondContact N-O 2.79Å; F217-H458 AromaticContact CD1-CE1 3.94Å; F217-H458 AromaticContact CD1-NE2 3.99Å; F217-H458 AromaticContact CG-CE1 3.99Å; F217-H458 AromaticContact CG-NE2 3.95Å; F217-H458 PolarHBondContact O-ND1 3.03Å
218	C	91.9	Very high	77.8	Confident	20 Å²	20	77.4 Å²	77.4	14%	0.135	43%	0.425	C	S	.	.			trans	-70.3	125.4	176.1	179.3	0	0	0	0	111.2	Q216 L220 G455 N456 S457 C460	Q216-C218 HydrophobicContact CG-CB 4.41Å; C218-L220 VanDerWaalsContact C-N 3.29Å; C218-L220 PolarHBondContact O-N 3.44Å; C218-G455 VanDerWaalsContact CB-O 3.28Å; C218-G455 WeakPolarHBondContact CB-O 3.34Å; C218-N456 PolarHBondContact N-O 2.98Å; C218-N456 VanDerWaalsContact N-O 3.15Å; C218-S457 VanDerWaalsContact CA-O 3.31Å; C218-S457 WeakPolarHBondContact CA-O 3.41Å; C218-S457 WeakPolarHBondContact CB-O 3.48Å; C218-S457 PolarHBondContact N-O 2.65Å; C218-C460 VanDerWaalsContact CA-SG 3.53Å; C218-C460 HydrophobicContact CB-CB 3.67Å; C218-C460 WeakPolarHBondContact CB-SG 3.48Å; C218-C460 WeakPolarHBondContact SG-CB 3.25Å; C218-C460 CovalentContact SG-SG 2.03Å; C218-C460 PolarHBondContact SG-SG 2.55Å
219	P	85.9	Confident	75.4	Confident	105 Å²	105	75 Å²	75	68%	0.682	42%	0.421	S	S	*	.			trans	-80.6	-4.6	178.4	33.1	-36.5	0	0	0	114
220	L	79.9	Confident	73.2	Confident	93 Å²	93	77.4 Å²	77.4	49%	0.487	44%	0.442	S	S	.	.	S	Bend	trans	-94.4	119.5	-177	-54.9	177.8	0	0	0	110.7	C218 G222 D461	C218-L220 VanDerWaalsContact C-N 3.29Å; C218-L220 PolarHBondContact O-N 3.44Å; L220-G222 PolarHBondContact O-N 2.89Å; L220-D461 HydrophobicContact CD1-CB 4.23Å
221	H	59.2	Low	70.7	Confident	197 Å²	197	82.1 Å²	82.1	91%	0.912	47%	0.467	S	S	*	.	S	Bend	trans	-78.4	88.6	172.8	-77.6	-42.8	0	0	0	111.8
222	G	57.3	Low	68.4	Low	31 Å²	31	90.3 Å²	90.3	32%	0.32	50%	0.503	S	S	.	.	S	Bend	trans	101.8	133.4	167.3	0	0	0	0	0	114.7	L220 S224	L220-G222 PolarHBondContact O-N 2.89Å; G222-S224 PolarHBondContact O-N 2.66Å; G222-S224 VanDerWaalsContact O-N 3.1Å; G222-S224 PolarHBondContact O-OG 3.36Å
223	F	54.8	Low	66.6	Low	92 Å²	92	84.1 Å²	84.1	40%	0.404	48%	0.484	S	S	.	.			trans	-56.4	110.9	-178.3	-63	-72.9	0	0	0	113	E406 L463	F223-E406 WeakPolarHBondContact CD2-OE1 3.39Å; F223-E406 HydrophobicContact CE2-CG 3.8Å; F223-E406 VanDerWaalsContact CE2-OE1 3.23Å; F223-E406 WeakPolarHBondContact CE2-OE1 3.39Å; F223-E406 HydrophobicContact CZ-CG 4.37Å; F223-L463 HydrophobicContact CD1-CD2 4.03Å; F223-L463 HydrophobicContact CE1-CD2 4.15Å
224	S	46.2	Very low	64.7	Low	106 Å²	106	85.4 Å²	85.4	74%	0.741	48%	0.482	S	S	*	.			trans	-152.6	46.4	179.4	50.4	0	0	0	0	114.9	G222	G222-S224 PolarHBondContact O-N 2.66Å; G222-S224 VanDerWaalsContact O-N 3.1Å; G222-S224 PolarHBondContact O-OG 3.36Å
225	S	51.7	Low	63	Low	50 Å²	50	87.1 Å²	87.1	35%	0.35	49%	0.492	S	S	.	.			trans	-65.8	131	165.9	-47.8	0	0	0	0	110.5	L463	S225-L463 VanDerWaalsContact CB-O 3.3Å; S225-L463 WeakPolarHBondContact CB-O 3.16Å; S225-L463 PolarHBondContact OG-O 2.96Å
226	P	48.3	Very low	61.6	Low	115 Å²	115	88.2 Å²	88.2	75%	0.747	50%	0.496	S	S	*	.			trans	-64.4	143.1	176.6	27	-33.9	0	0	0	110.7	Q228	P226-Q228 PolarHBondContact O-N 2.79Å; P226-Q228 VanDerWaalsContact O-N 3.16Å
227	V	51.7	Low	60.2	Low	125 Å²	125	87.8 Å²	87.8	76%	0.758	50%	0.5	S	S	*	.			trans	-69.3	112.9	169.8	177.9	0	0	0	0	107.8	T229	V227-T229 PolarHBondContact O-N 3.38Å
228	Q	55.4	Low	58.8	Low	54 Å²	54	89.8 Å²	89.8	25%	0.252	52%	0.521	S	S	.	.			trans	-54.9	111.7	169.7	-74.9	166.5	-16.7	0	0	109.4	P226	P226-Q228 PolarHBondContact O-N 2.79Å; P226-Q228 VanDerWaalsContact O-N 3.16Å
229	T	46.7	Very low	57.7	Low	101 Å²	101	94.5 Å²	94.5	62%	0.62	54%	0.539	S	S	*	.			trans	-65.6	142.7	159.6	41.6	0	0	0	0	108.3	V227 D231	V227-T229 PolarHBondContact O-N 3.38Å; T229-D231 WeakPolarHBondContact CB-OD1 3.4Å; T229-D231 PolarHBondContact O-N 3.43Å; T229-D231 PolarHBondContact OG1-OD1 3.3Å
230	A	48.7	Very low	57.5	Low	58 Å²	58	90.9 Å²	90.9	48%	0.479	52%	0.515	S	S	.	.			trans	-77.2	71.7	164.3	0	0	0	0	0	108.7	T509	A230-T509 VanDerWaalsContact CB-O 3.22Å; A230-T509 WeakPolarHBondContact CB-O 3.46Å
231	D	44.2	Very low	57.5	Low	120 Å²	120	96 Å²	96	64%	0.642	54%	0.536	S	S	*	.			trans	-58	156.1	154.3	-63	-0.6	0	0	0	107.5	T229 L233	T229-D231 WeakPolarHBondContact CB-OD1 3.4Å; T229-D231 PolarHBondContact O-N 3.43Å; T229-D231 PolarHBondContact OG1-OD1 3.3Å; D231-L233 PolarHBondContact O-N 2.82Å
232	E	48.4	Very low	59	Low	200 Å²	200	91.6 Å²	91.6	94%	0.935	52%	0.52	S	S	*	.			trans	-58.8	90.6	-161.5	-63.4	-173.6	142.4	0	0	113.4	D234	E232-D234 PolarHBondContact O-N 3.33Å
233	L	54.1	Low	60.8	Low	56 Å²	56	93.5 Å²	93.5	29%	0.293	53%	0.527	S	S	.	.			trans	-61.5	110.3	177.7	-76.2	170.4	0	0	0	108.5	D231 N235 F356	D231-L233 PolarHBondContact O-N 2.82Å; L233-N235 VanDerWaalsContact CB-ND2 3.32Å; L233-N235 WeakPolarHBondContact CB-ND2 3.14Å; L233-N235 PolarHBondContact O-N 2.84Å; L233-N235 PolarHBondContact O-ND2 3Å; L233-F356 HydrophobicContact CD1-CD2 4Å; L233-F356 HydrophobicContact CD1-CE2 4.41Å; L233-F356 HydrophobicContact CD2-CD2 4.32Å
234	D	56.7	Low	62.8	Low	85 Å²	85	89.2 Å²	89.2	46%	0.455	51%	0.508	S	S	.	.			trans	-71.8	76.6	170.9	-163.4	-10	0	0	0	108.5	E232 D236 K239	E232-D234 PolarHBondContact O-N 3.33Å; D234-D236 PolarHBondContact O-N 3.26Å; D234-D236 WeakPolarHBondContact OD1-CB 3.3Å; D234-K239 IonicContact OD1-NZ 2.61Å; D234-K239 PolarHBondContact OD1-NZ 2.74Å; D234-K239 WeakPolarHBondContact OD2-CD 3.18Å; D234-K239 IonicContact OD2-NZ 2.76Å; D234-K239 PolarHBondContact OD2-NZ 3.31Å
235	N	60.3	Low	65.3	Low	51 Å²	51	88.9 Å²	88.9	27%	0.273	49%	0.49	S	S	.	.			trans	-73.2	22.8	-175	-67.7	-74.9	0	0	0	112.8	L233 P237 E352	L233-N235 VanDerWaalsContact CB-ND2 3.32Å; L233-N235 WeakPolarHBondContact CB-ND2 3.14Å; L233-N235 PolarHBondContact O-N 2.84Å; L233-N235 PolarHBondContact O-ND2 3Å; N235-P237 VanDerWaalsContact O-CD 3.25Å; N235-P237 WeakPolarHBondContact O-CD 3.45Å; N235-E352 HydrophobicContact CB-CG 4.41Å
236	D	66.3	Low	67.5	Low	56 Å²	56	86.5 Å²	86.5	30%	0.299	47%	0.474	S	S	.	.			trans	-77.6	108.7	179.1	-177.9	-10.9	0	0	0	109.8	D234 S238 K239	D234-D236 PolarHBondContact O-N 3.26Å; D234-D236 WeakPolarHBondContact OD1-CB 3.3Å; D236-S238 PolarHBondContact O-N 2.89Å; D236-S238 VanDerWaalsContact O-N 3.14Å; D236-S238 VanDerWaalsContact OD1-CB 3.28Å; D236-S238 WeakPolarHBondContact OD1-CB 3.41Å; D236-S238 PolarHBondContact OD1-N 3.05Å; D236-S238 PolarHBondContact OD1-OG 2.95Å; D236-S238 PolarHBondContact OD2-OG 3.13Å; D236-K239 HydrophobicContact CB-CD 3.94Å; D236-K239 HydrophobicContact CB-CG 4.24Å; D236-K239 PolarHBondContact O-N 3.02Å; D236-K239 VanDerWaalsContact O-N 3.16Å; D236-K239 WeakPolarHBondContact OD2-CE 3.42Å; D236-K239 IonicContact OD2-NZ 3.01Å; D236-K239 PolarHBondContact OD2-NZ 2.9Å
237	P	62.1	Low	69.9	Low	71 Å²	71	81 Å²	81	46%	0.461	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-66.3	-16.9	-177.1	29.8	-36.1	0	0	0	112.6	N235 K239 V240 D351	N235-P237 VanDerWaalsContact O-CD 3.25Å; N235-P237 WeakPolarHBondContact O-CD 3.45Å; P237-K239 PolarHBondContact O-N 3.25Å; P237-V240 PolarHBondContact O-N 3.22Å; P237-D351 HydrophobicContact CB-CB 4.34Å; P237-D351 HydrophobicContact CG-CB 4.32Å
238	S	65.2	Low	72.2	Confident	100 Å²	100	75.1 Å²	75.1	70%	0.699	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-71	-14.2	177.3	74.5	0	0	0	0	113.7	D236	D236-S238 PolarHBondContact O-N 2.89Å; D236-S238 VanDerWaalsContact O-N 3.14Å; D236-S238 VanDerWaalsContact OD1-CB 3.28Å; D236-S238 WeakPolarHBondContact OD1-CB 3.41Å; D236-S238 PolarHBondContact OD1-N 3.05Å; D236-S238 PolarHBondContact OD1-OG 2.95Å; D236-S238 PolarHBondContact OD2-OG 3.13Å
239	K	69.1	Low	74.3	Confident	118 Å²	118	72.6 Å²	72.6	51%	0.513	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-91.6	1.6	177	-60.9	174.1	-170.4	154.8	0	113.3	D234 D236 P237 E241	D234-K239 IonicContact OD1-NZ 2.61Å; D234-K239 PolarHBondContact OD1-NZ 2.74Å; D234-K239 WeakPolarHBondContact OD2-CD 3.18Å; D234-K239 IonicContact OD2-NZ 2.76Å; D234-K239 PolarHBondContact OD2-NZ 3.31Å; D236-K239 HydrophobicContact CB-CD 3.94Å; D236-K239 HydrophobicContact CB-CG 4.24Å; D236-K239 PolarHBondContact O-N 3.02Å; D236-K239 VanDerWaalsContact O-N 3.16Å; D236-K239 WeakPolarHBondContact OD2-CE 3.42Å; D236-K239 IonicContact OD2-NZ 3.01Å; D236-K239 PolarHBondContact OD2-NZ 2.9Å; P237-K239 PolarHBondContact O-N 3.25Å; K239-E241 PolarHBondContact O-N 3.19Å
240	V	80.3	Confident	76.7	Confident	29 Å²	29	67.8 Å²	67.8	18%	0.176	36%	0.361	C	S	.	.			trans	-96.8	90.4	-175.5	-173.3	0	0	0	0	110.1	P237 N242 P243 A355 S358	P237-V240 PolarHBondContact O-N 3.22Å; V240-N242 VanDerWaalsContact C-N 3.26Å; V240-N242 PolarHBondContact O-N 3.25Å; V240-P243 HydrophobicContact CG1-CB 4.05Å; V240-A355 HydrophobicContact CG2-CB 4.14Å; V240-S358 VanDerWaalsContact CG1-CB 3.5Å
241	E	80.8	Confident	79.1	Confident	201 Å²	201	65.6 Å²	65.6	94%	0.939	34%	0.342	S	S	*	.	S	Bend	trans	-61.5	-29.9	-177.7	-62.6	-171.8	153.9	0	0	114.1	K239	K239-E241 PolarHBondContact O-N 3.19Å
242	N	90.1	Very high	81.7	Confident	104 Å²	104	59.9 Å²	59.9	56%	0.556	31%	0.311	S	S	*	.	S	Bend	trans	-135.1	81.3	-179	179.8	-2.8	0	0	0	109.9	V240 R361	V240-N242 VanDerWaalsContact C-N 3.26Å; V240-N242 PolarHBondContact O-N 3.25Å; N242-R361 PolarHBondContact O-NH1 3.2Å; N242-R361 PolarHBondContact OD1-NH1 3.46Å; N242-R361 PolarHBondContact OD1-NH2 3.12Å
243	P	95.3	Very high	84.1	Confident	72 Å²	72	56.1 Å²	56.1	47%	0.468	29%	0.293	S	S	.	.			trans	-66.4	138.9	-178.2	26.4	-33.8	0	0	0	111.9	V240 V354	V240-P243 HydrophobicContact CG1-CB 4.05Å; P243-V354 HydrophobicContact CB-CG1 3.58Å
244	V	97.3	Very high	86.2	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.012	29%	0.294	C	S	.	.			trans	-71.9	146.2	174.9	-66.8	0	0	0	0	112.7	D335 F336 V354 L357 S358 R361	V244-D335 WeakPolarHBondContact CA-OD2 3.46Å; V244-D335 HydrophobicContact CB-CB 3.98Å; V244-D335 HydrophobicContact CG1-CB 3.98Å; V244-F336 HydrophobicContact CB-CD2 4.27Å; V244-F336 HydrophobicContact CG1-CD2 4.17Å; V244-F336 HydrophobicContact CG1-CE2 4.13Å; V244-F336 HydrophobicContact CG2-CD2 4.36Å; V244-V354 HydrophobicContact CG2-CG1 4.41Å; V244-L357 HydrophobicContact CG2-CB 3.62Å; V244-S358 PolarHBondContact N-OG 3.41Å; V244-R361 HydrophobicContact CG1-CG 3.85Å
245	R	98.5	Very high	88.1	Confident	98 Å²	98	53.2 Å²	53.2	37%	0.37	28%	0.282	S	S	.	.			trans	-106.2	132.4	169.3	-66.4	177.5	-66.8	-156.3	-7.1	110.7	D271 F273 N333 D335 F336	R245-D271 WeakPolarHBondContact CB-O 3.49Å; R245-D271 WeakPolarHBondContact CD-O 3.27Å; R245-D271 HydrophobicContact CG-CB 4.25Å; R245-D271 WeakPolarHBondContact CG-O 3.47Å; R245-F273 HydrophobicContact CB-CE2 3.96Å; R245-N333 PolarHBondContact NE-O 3.49Å; R245-N333 VanDerWaalsContact NH2-CB 3.29Å; R245-N333 PolarHBondContact NH2-O 2.77Å; R245-D335 PolarHBondContact N-OD2 3.38Å; R245-D335 PolarHBondContact O-N 3.48Å; R245-F336 PolarHBondContact O-N 3.22Å
246	V	98.8	Very high	89.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.8	-173.8	-178.5	0	0	0	0	110.7	F248 H272 F273 I338 L357	V246-F248 HydrophobicContact CB-CD2 4.07Å; V246-F248 HydrophobicContact CB-CE2 3.66Å; V246-F248 HydrophobicContact CB-CZ 4Å; V246-F248 HydrophobicContact CG1-CD1 3.97Å; V246-F248 HydrophobicContact CG1-CD2 3.71Å; V246-F248 HydrophobicContact CG1-CE1 3.79Å; V246-F248 HydrophobicContact CG1-CE2 3.55Å; V246-F248 HydrophobicContact CG1-CG 3.94Å; V246-F248 HydrophobicContact CG1-CZ 3.59Å; V246-F248 HydrophobicContact CG2-CZ 4.49Å; V246-H272 PolarHBondContact N-ND1 3.44Å; V246-F273 PolarHBondContact O-N 3Å; V246-I338 HydrophobicContact CG1-CB 4.04Å; V246-I338 HydrophobicContact CG1-CD1 3.69Å; V246-I338 HydrophobicContact CG1-CG1 3.71Å; V246-I338 HydrophobicContact CG2-CD1 4.45Å; V246-L357 HydrophobicContact CG2-CD1 4.27Å
247	A	98.9	Very high	91.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	99.4	162.4	0	0	0	0	0	109.6	F273 L326 W334 F336 I338	A247-F273 WeakPolarHBondContact CA-O 3.34Å; A247-L326 HydrophobicContact CB-CD1 3.96Å; A247-L326 HydrophobicContact CB-CD2 4.1Å; A247-W334 HydrophobicContact CB-CB 3.85Å; A247-W334 HydrophobicContact CB-CD2 3.9Å; A247-W334 HydrophobicContact CB-CE3 4.24Å; A247-W334 HydrophobicContact CB-CG 3.7Å; A247-F336 PolarHBondContact N-O 2.76Å; A247-I338 PolarHBondContact O-N 2.74Å
248	F	98.9	Very high	93.2	Very high	1 Å²	1	48 Å²	48	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.9	173.5	-70.2	-77.9	0	0	0	110.3	V246 L250 I267 H272 F273 Y274 Y275 I338 L340 L353 F514	V246-F248 HydrophobicContact CB-CD2 4.07Å; V246-F248 HydrophobicContact CB-CE2 3.66Å; V246-F248 HydrophobicContact CB-CZ 4Å; V246-F248 HydrophobicContact CG1-CD1 3.97Å; V246-F248 HydrophobicContact CG1-CD2 3.71Å; V246-F248 HydrophobicContact CG1-CE1 3.79Å; V246-F248 HydrophobicContact CG1-CE2 3.55Å; V246-F248 HydrophobicContact CG1-CG 3.94Å; V246-F248 HydrophobicContact CG1-CZ 3.59Å; V246-F248 HydrophobicContact CG2-CZ 4.49Å; F248-L250 HydrophobicContact CB-CD2 4.35Å; F248-I267 HydrophobicContact CD1-CD1 4.26Å; F248-I267 HydrophobicContact CG-CD1 4.25Å; F248-H272 HydrophobicContact CD2-CB 4.37Å; F248-H272 HydrophobicContact CE2-CB 4.2Å; F248-H272 AromaticContact CE2-CD2 3.96Å; F248-F273 PolarHBondContact N-O 2.61Å; F248-Y274 HydrophobicContact CB-CD1 3.73Å; F248-Y274 HydrophobicContact CB-CE1 4.03Å; F248-Y274 AromaticContact CD2-CD1 3.87Å; F248-Y274 HydrophobicContact CD2-CD1 3.87Å; F248-Y274 AromaticContact CD2-CE1 3.26Å; F248-Y274 HydrophobicContact CD2-CE1 3.26Å; F248-Y274 AromaticContact CD2-CZ 3.82Å; F248-Y274 AromaticContact CE2-CE1 3.93Å; F248-Y274 HydrophobicContact CE2-CE1 3.93Å; F248-Y274 HydrophobicContact CG-CD1 4.11Å; F248-Y274 AromaticContact CG-CE1 3.87Å; F248-Y274 HydrophobicContact CG-CE1 3.87Å; F248-Y274 WeakPolarHBondContact O-CA 3.24Å; F248-Y275 PolarHBondContact O-N 3.37Å; F248-I338 CarbonylContact C-O 3.5Å; F248-I338 WeakPolarHBondContact CA-O 3.17Å; F248-I338 HydrophobicContact CD1-CB 4.07Å; F248-I338 HydrophobicContact CD1-CG2 4.21Å; F248-I338 HydrophobicContact CE1-CB 4.23Å; F248-I338 HydrophobicContact CE1-CD1 4.33Å; F248-I338 HydrophobicContact CE1-CG2 4.22Å; F248-L340 HydrophobicContact CD1-CD1 3.79Å; F248-L340 HydrophobicContact CE1-CD1 4.2Å; F248-L353 HydrophobicContact CZ-CD2 4.05Å; F248-F514 HydrophobicContact CE1-CE1 4.45Å; F248-F514 HydrophobicContact CE1-CE2 4.48Å; F248-F514 AromaticContact CE1-CZ 3.75Å; F248-F514 HydrophobicContact CE1-CZ 3.75Å; F248-F514 HydrophobicContact CZ-CZ 4.34Å
249	V	98.9	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	106.9	172.7	-179.4	0	0	0	0	109.7	V251 Y275 L326 F337 I338 N339 L340	V249-V251 HydrophobicContact CG1-CG2 4.22Å; V249-Y275 CarbonylContact C-O 3.53Å; V249-Y275 WeakPolarHBondContact CA-O 3.39Å; V249-L326 HydrophobicContact CG2-CD1 3.63Å; V249-F337 HydrophobicContact CB-CE1 4.4Å; V249-F337 HydrophobicContact CB-CE2 4.13Å; V249-F337 HydrophobicContact CB-CZ 3.83Å; V249-F337 HydrophobicContact CG1-CZ 4.25Å; V249-F337 HydrophobicContact CG2-CD2 3.95Å; V249-F337 HydrophobicContact CG2-CE1 4.38Å; V249-F337 HydrophobicContact CG2-CE2 3.36Å; V249-F337 HydrophobicContact CG2-CZ 3.6Å; V249-I338 PolarHBondContact N-O 3.25Å; V249-N339 WeakPolarHBondContact O-CA 3.43Å; V249-L340 PolarHBondContact O-N 2.98Å
250	L	98.9	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111	-179.5	-51.7	-171.6	0	0	0	109	F248 V252 L260 I264 I267 Y275 I276 H277 L340	F248-L250 HydrophobicContact CB-CD2 4.35Å; L250-V252 HydrophobicContact CB-CG1 4.13Å; L250-L260 HydrophobicContact CD1-CD1 4.18Å; L250-I264 HydrophobicContact CD1-CD1 4.13Å; L250-I264 HydrophobicContact CD1-CG1 3.79Å; L250-I267 HydrophobicContact CD2-CD1 4.19Å; L250-Y275 PolarHBondContact N-O 2.84Å; L250-I276 HydrophobicContact CB-CB 4.47Å; L250-I276 HydrophobicContact CB-CG1 4.23Å; L250-I276 HydrophobicContact CB-CG2 4.17Å; L250-I276 HydrophobicContact CD1-CD1 4.07Å; L250-I276 HydrophobicContact CD1-CG1 4.05Å; L250-I276 HydrophobicContact CG-CG1 4.31Å; L250-H277 PolarHBondContact O-N 2.78Å; L250-L340 WeakPolarHBondContact CA-O 3.18Å; L250-L340 HydrophobicContact CD2-CB 3.74Å; L250-L340 HydrophobicContact CD2-CD1 3.98Å; L250-L340 HydrophobicContact CD2-CG 4.36Å
251	V	98.8	Very high	97	Very high	12 Å²	12	38.3 Å²	38.3	7%	0.073	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.7	176.3	-178.8	0	0	0	0	108.7	V249 H277 L315 Y319 L340	V249-V251 HydrophobicContact CG1-CG2 4.22Å; V251-H277 HydrophobicContact CG2-CB 4.42Å; V251-L315 HydrophobicContact CG1-CD1 4.17Å; V251-Y319 HydrophobicContact CG2-CD1 4.35Å; V251-Y319 HydrophobicContact CG2-CE1 3.67Å; V251-L340 PolarHBondContact N-O 3.45Å
252	V	98.8	Very high	97.9	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.1	-165.3	-52.3	0	0	0	0	113.8	L250 L260 I276 H277 V278 D279 L285 A342	L250-V252 HydrophobicContact CB-CG1 4.13Å; V252-L260 HydrophobicContact CB-CD2 4.28Å; V252-L260 HydrophobicContact CG1-CD1 3.92Å; V252-L260 HydrophobicContact CG1-CD2 4.1Å; V252-L260 HydrophobicContact CG2-CD2 3.95Å; V252-I276 HydrophobicContact CG2-CG2 4.02Å; V252-H277 WeakPolarHBondContact CG2-O 3.44Å; V252-H277 PolarHBondContact N-O 3.28Å; V252-V278 HydrophobicContact CG2-CB 4.34Å; V252-V278 HydrophobicContact CG2-CG1 4.33Å; V252-V278 HydrophobicContact CG2-CG2 3.8Å; V252-V278 WeakPolarHBondContact O-CA 3.39Å; V252-D279 PolarHBondContact O-N 3.37Å; V252-L285 HydrophobicContact CB-CD2 4.01Å; V252-L285 HydrophobicContact CG2-CD2 3.73Å; V252-L285 HydrophobicContact CG2-CG 4.26Å; V252-A342 HydrophobicContact CB-CB 4.17Å; V252-A342 HydrophobicContact CG1-CB 3.88Å
253	H	98.4	Very high	98.3	Very high	120 Å²	120	24 Å²	24	56%	0.556	12%	0.124	S	C	*	.			trans	-152.8	171.3	178.4	65	-92	0	0	0	110.6	D279 S282	H253-D279 HydrophobicContact CB-CB 3.68Å; H253-S282 WeakPolarHBondContact CA-OG 3.48Å
254	G	96.8	Very high	98.5	Very high	30 Å²	30	20.6 Å²	20.6	31%	0.309	10%	0.101	S	C	.	.	S	Bend	trans	87.4	-147.8	178.4	0	0	0	0	0	113.1	S282	G254-S282 PolarHBondContact N-OG 3Å
255	R	97.4	Very high	98.5	Very high	51 Å²	51	21.5 Å²	21.5	19%	0.192	11%	0.105	C	C	.	.	S	Bend	trans	-122.3	-9.2	-171.7	-56.4	-61.5	-69.5	-159.3	4.6	115.1	I257 Y284 E550 S551 D557	R255-I257 PolarHBondContact O-N 3.02Å; R255-Y284 VanDerWaalsContact CZ-CB 3.43Å; R255-Y284 VanDerWaalsContact NH1-CB 3.31Å; R255-E550 HydrophobicContact CB-CG 3.75Å; R255-S551 VanDerWaalsContact CB-O 3.28Å; R255-S551 WeakPolarHBondContact CB-O 3.42Å; R255-S551 WeakPolarHBondContact CG-O 3.48Å; R255-S551 PolarHBondContact NE-O 3.02Å; R255-S551 PolarHBondContact NH2-O 3.34Å; R255-S551 PolarHBondContact NH2-OG 3.06Å; R255-D557 IonicContact CZ-OD2 2.88Å; R255-D557 IonicContact NH1-OD2 2.59Å; R255-D557 PolarHBondContact NH1-OD2 3.17Å; R255-D557 IonicContact NH2-OD2 3.98Å; R255-D557 PolarHBondContact NH2-OD2 2.67Å
256	A	98.1	Very high	98.5	Very high	28 Å²	28	16.9 Å²	16.9	23%	0.231	9%	0.088	C	C	.	.			trans	-72	49.4	-170.8	0	0	0	0	0	115.7	R258 Q259 L260 E550	A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 3.15Å; A256-Q259 HydrophobicContact CB-CB 4.39Å; A256-Q259 PolarHBondContact O-N 2.99Å; A256-L260 PolarHBondContact O-N 2.9Å; A256-E550 WeakPolarHBondContact CA-OE2 3.4Å; A256-E550 WeakPolarHBondContact CB-OE2 3.41Å
257	I	98.4	Very high	98.5	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-59.8	-36.6	-176.8	-179.9	61.7	0	0	0	113	R255 Q259 L260 K261 Y284 L285 E288 I292	R255-I257 PolarHBondContact O-N 3.02Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 2.72Å; I257-L260 HydrophobicContact CD1-CD2 4.33Å; I257-L260 PolarHBondContact O-N 3.26Å; I257-K261 HydrophobicContact CD1-CD 4.39Å; I257-K261 HydrophobicContact CD1-CG 4.08Å; I257-K261 HydrophobicContact CG1-CD 4.1Å; I257-K261 HydrophobicContact CG1-CG 4.24Å; I257-K261 WeakPolarHBondContact O-CG 3.4Å; I257-K261 PolarHBondContact O-N 3.45Å; I257-Y284 HydrophobicContact CB-CE1 4.42Å; I257-Y284 HydrophobicContact CG2-CE1 3.82Å; I257-Y284 WeakPolarHBondContact CG2-OH 3.46Å; I257-L285 HydrophobicContact CB-CD1 3.9Å; I257-L285 HydrophobicContact CD1-CD1 3.9Å; I257-L285 HydrophobicContact CG1-CD1 4.46Å; I257-E288 HydrophobicContact CB-CB 4.47Å; I257-E288 HydrophobicContact CB-CG 4.42Å; I257-E288 HydrophobicContact CD1-CB 3.53Å; I257-E288 HydrophobicContact CD1-CG 4.33Å; I257-E288 HydrophobicContact CG1-CB 3.62Å; I257-E288 HydrophobicContact CG1-CG 3.85Å; I257-E288 HydrophobicContact CG2-CG 4.49Å; I257-I292 HydrophobicContact CD1-CD1 4.08Å
258	R	98.6	Very high	98.5	Very high	35 Å²	35	17.3 Å²	17.3	13%	0.132	9%	0.09	C	C	.	.	H	α-helix	trans	-66	-37.5	-179.7	-64.4	-164.5	-176.2	-140.8	5.7	111.5	A256 R262 Y548 W549 S858 D862 S865	A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 3.15Å; R258-R262 WeakPolarHBondContact O-CB 3.28Å; R258-R262 PolarHBondContact O-N 3.17Å; R258-Y548 HydrophobicContact CB-CE2 3.91Å; R258-W549 WeakPolarHBondContact CD-O 3.27Å; R258-W549 VanDerWaalsContact NH1-CE3 3.25Å; R258-S858 PolarHBondContact NH2-O 3.44Å; R258-D862 WeakPolarHBondContact CD-OD2 3.28Å; R258-D862 IonicContact CZ-OD2 3.84Å; R258-D862 IonicContact NE-OD2 3.31Å; R258-D862 VanDerWaalsContact NH1-CB 3.3Å; R258-D862 IonicContact NH1-OD2 3.89Å; R258-D862 PolarHBondContact NH1-OD2 3.23Å; R258-S865 WeakPolarHBondContact O-CB 3.23Å
259	Q	98.5	Very high	98.5	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-69.9	-37.8	172.4	179.9	53.9	19.6	0	0	112.2	A256 I257 R262 L263 S520 Y548	A256-Q259 HydrophobicContact CB-CB 4.39Å; A256-Q259 PolarHBondContact O-N 2.99Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 2.72Å; Q259-R262 PolarHBondContact O-N 3.46Å; Q259-L263 PolarHBondContact O-N 3.37Å; Q259-S520 PolarHBondContact OE1-OG 2.93Å; Q259-Y548 HydrophobicContact CB-CE2 4.37Å
260	L	98.8	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-43.4	173.3	178.7	58.8	0	0	0	112.2	L250 V252 A256 I257 R262 L263 I264 L285 V289 A342	L250-L260 HydrophobicContact CD1-CD1 4.18Å; V252-L260 HydrophobicContact CB-CD2 4.28Å; V252-L260 HydrophobicContact CG1-CD1 3.92Å; V252-L260 HydrophobicContact CG1-CD2 4.1Å; V252-L260 HydrophobicContact CG2-CD2 3.95Å; A256-L260 PolarHBondContact O-N 2.9Å; I257-L260 HydrophobicContact CD1-CD2 4.33Å; I257-L260 PolarHBondContact O-N 3.26Å; L260-R262 VanDerWaalsContact C-N 3.34Å; L260-R262 PolarHBondContact O-N 2.98Å; L260-L263 HydrophobicContact CD1-CD2 4.47Å; L260-L263 PolarHBondContact O-N 2.96Å; L260-I264 HydrophobicContact CD1-CD1 4.12Å; L260-I264 HydrophobicContact CD1-CG1 4.31Å; L260-I264 HydrophobicContact CG-CD1 4.02Å; L260-I264 WeakPolarHBondContact O-CG1 3.18Å; L260-I264 PolarHBondContact O-N 3.16Å; L260-L285 HydrophobicContact CD2-CD1 4.01Å; L260-V289 HydrophobicContact CD2-CG2 3.87Å; L260-A342 HydrophobicContact CB-CB 4.4Å; L260-A342 HydrophobicContact CD1-CB 4.26Å
261	K	98.8	Very high	98.4	Very high	40 Å²	40	28.3 Å²	28.3	17%	0.174	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-43	173.5	-71.1	175.8	-179.4	169.9	0	110.6	I257 I264 K265 E288 I292 S865 L867	I257-K261 HydrophobicContact CD1-CD 4.39Å; I257-K261 HydrophobicContact CD1-CG 4.08Å; I257-K261 HydrophobicContact CG1-CD 4.1Å; I257-K261 HydrophobicContact CG1-CG 4.24Å; I257-K261 WeakPolarHBondContact O-CG 3.4Å; I257-K261 PolarHBondContact O-N 3.45Å; K261-I264 PolarHBondContact O-N 2.82Å; K261-K265 VanDerWaalsContact O-CB 3.32Å; K261-K265 WeakPolarHBondContact O-CB 3.24Å; K261-K265 PolarHBondContact O-N 3.47Å; K261-E288 IonicContact NZ-OE2 3.82Å; K261-E288 PolarHBondContact NZ-OE2 2.79Å; K261-I292 HydrophobicContact CD-CD1 4.43Å; K261-I292 HydrophobicContact CG-CD1 3.71Å; K261-S865 WeakPolarHBondContact CB-O 3.48Å; K261-L867 HydrophobicContact CB-CD1 4.37Å; K261-L867 HydrophobicContact CB-CD2 4.13Å; K261-L867 HydrophobicContact CB-CG 4.16Å; K261-L867 HydrophobicContact CG-CD1 4.1Å; K261-L867 HydrophobicContact CG-CG 4.24Å; K261-L867 WeakPolarHBondContact O-CD2 3.42Å
262	R	98.5	Very high	98.4	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-42.9	174.5	-168.9	-179.5	-171.5	165.4	9	113.1	R258 Q259 L260 K265 A266 F345 D528 D531	R258-R262 WeakPolarHBondContact O-CB 3.28Å; R258-R262 PolarHBondContact O-N 3.17Å; Q259-R262 PolarHBondContact O-N 3.46Å; L260-R262 VanDerWaalsContact C-N 3.34Å; L260-R262 PolarHBondContact O-N 2.98Å; R262-K265 PolarHBondContact O-N 2.94Å; R262-A266 PolarHBondContact O-N 3.05Å; R262-F345 HydrophobicContact CG-CE2 4.29Å; R262-D528 IonicContact CZ-OD1 3.22Å; R262-D528 IonicContact NH1-OD1 3.54Å; R262-D528 PolarHBondContact NH1-OD1 3.37Å; R262-D528 IonicContact NH2-OD1 3.58Å; R262-D528 PolarHBondContact NH2-OD1 3.03Å; R262-D531 IonicContact NH2-OD2 2.69Å
263	L	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-52.5	173.6	170.5	59.2	0	0	0	110.8	Q259 L260 K265 A266 I267 S341 D344 F345	Q259-L263 PolarHBondContact O-N 3.37Å; L260-L263 HydrophobicContact CD1-CD2 4.47Å; L260-L263 PolarHBondContact O-N 2.96Å; L263-K265 VanDerWaalsContact C-N 3.31Å; L263-K265 PolarHBondContact O-N 3.3Å; L263-A266 WeakPolarHBondContact O-CB 3.34Å; L263-A266 PolarHBondContact O-N 3.23Å; L263-A266 VanDerWaalsContact O-N 3.14Å; L263-I267 HydrophobicContact CD1-CG2 3.94Å; L263-I267 WeakPolarHBondContact O-CG1 3.39Å; L263-I267 PolarHBondContact O-N 3.25Å; L263-S341 WeakPolarHBondContact CD2-O 3.45Å; L263-D344 WeakPolarHBondContact CD1-O 3.4Å; L263-F345 HydrophobicContact CD1-CD2 4.26Å
264	I	98.8	Very high	98.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-54.7	-49.5	177	-69.5	166.8	0	0	0	109.7	L250 L260 K261 A266 I267 Y268 I276 I292	L250-I264 HydrophobicContact CD1-CD1 4.13Å; L250-I264 HydrophobicContact CD1-CG1 3.79Å; L260-I264 HydrophobicContact CD1-CD1 4.12Å; L260-I264 HydrophobicContact CD1-CG1 4.31Å; L260-I264 HydrophobicContact CG-CD1 4.02Å; L260-I264 WeakPolarHBondContact O-CG1 3.18Å; L260-I264 PolarHBondContact O-N 3.16Å; K261-I264 PolarHBondContact O-N 2.82Å; I264-A266 VanDerWaalsContact C-N 3.28Å; I264-A266 PolarHBondContact O-N 2.68Å; I264-I267 PolarHBondContact O-N 2.62Å; I264-I267 VanDerWaalsContact O-N 3.12Å; I264-Y268 WeakPolarHBondContact O-CB 3.33Å; I264-Y268 PolarHBondContact O-N 3.31Å; I264-I276 HydrophobicContact CD1-CD1 3.99Å; I264-I292 HydrophobicContact CD1-CD1 4.16Å; I264-I292 HydrophobicContact CD1-CG2 4.43Å
265	K	98.7	Very high	98.6	Very high	21 Å²	21	22 Å²	22	9%	0.091	10%	0.099	C	C	.	.	H	α-helix	trans	-53.3	-43.3	178.3	-168.1	168.7	-172.1	160.8	0	112.5	K261 R262 L263 P863 E866 L867 I876 R877	K261-K265 VanDerWaalsContact O-CB 3.32Å; K261-K265 WeakPolarHBondContact O-CB 3.24Å; K261-K265 PolarHBondContact O-N 3.47Å; R262-K265 PolarHBondContact O-N 2.94Å; L263-K265 VanDerWaalsContact C-N 3.31Å; L263-K265 PolarHBondContact O-N 3.3Å; K265-P863 PolarHBondContact NZ-O 2.89Å; K265-E866 WeakPolarHBondContact CD-O 3.32Å; K265-E866 PolarHBondContact NZ-O 3.17Å; K265-L867 HydrophobicContact CB-CD2 3.92Å; K265-L867 HydrophobicContact CG-CD2 4.47Å; K265-I876 WeakPolarHBondContact CE-O 3.36Å; K265-I876 HydrophobicContact CG-CG1 4.25Å; K265-R877 HydrophobicContact CG-CB 3.98Å; K265-R877 WeakPolarHBondContact O-CB 3.21Å
266	A	98.6	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69	-40.1	177.5	0	0	0	0	0	113.7	R262 L263 I264 F345 P346 Y535 R875	R262-A266 PolarHBondContact O-N 3.05Å; L263-A266 WeakPolarHBondContact O-CB 3.34Å; L263-A266 PolarHBondContact O-N 3.23Å; L263-A266 VanDerWaalsContact O-N 3.14Å; I264-A266 VanDerWaalsContact C-N 3.28Å; I264-A266 PolarHBondContact O-N 2.68Å; A266-F345 HydrophobicContact CB-CE2 4.35Å; A266-F345 HydrophobicContact CB-CZ 3.97Å; A266-P346 HydrophobicContact CB-CG 3.93Å; A266-Y535 HydrophobicContact CB-CE2 3.9Å; A266-Y535 PolarHBondContact O-OH 3.48Å; A266-R875 PolarHBondContact O-NH1 3.21Å; A266-R875 PolarHBondContact O-NH2 3.34Å
267	I	98.7	Very high	98.7	Very high	7 Å²	7	18.2 Å²	18.2	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-92.8	-7.8	-176.4	70.2	173.1	0	0	0	114.4	F248 L250 L263 I264 Y274 L340 P346 F514	F248-I267 HydrophobicContact CD1-CD1 4.26Å; F248-I267 HydrophobicContact CG-CD1 4.25Å; L250-I267 HydrophobicContact CD2-CD1 4.19Å; L263-I267 HydrophobicContact CD1-CG2 3.94Å; L263-I267 WeakPolarHBondContact O-CG1 3.39Å; L263-I267 PolarHBondContact O-N 3.25Å; I264-I267 PolarHBondContact O-N 2.62Å; I264-I267 VanDerWaalsContact O-N 3.12Å; I267-Y274 HydrophobicContact CD1-CD1 4.19Å; I267-Y274 HydrophobicContact CD1-CE1 3.88Å; I267-Y274 HydrophobicContact CG1-CD1 4.47Å; I267-Y274 HydrophobicContact CG1-CE1 3.82Å; I267-Y274 PolarHBondContact O-OH 3.3Å; I267-L340 HydrophobicContact CD1-CD1 3.71Å; I267-P346 HydrophobicContact CG2-CB 4.4Å; I267-P346 HydrophobicContact CG2-CG 3.99Å; I267-F514 HydrophobicContact CG2-CE1 4Å
268	Y	98.8	Very high	98.7	Very high	4 Å²	4	18 Å²	18	2%	0.016	8%	0.078	C	C	.	.			trans	-71.4	128.1	-173.3	-177.7	-83.1	0	0	0	113	I264 Y274 Y296 N298 V299 V870 R875 I876	I264-Y268 WeakPolarHBondContact O-CB 3.33Å; I264-Y268 PolarHBondContact O-N 3.31Å; Y268-Y274 VanDerWaalsContact CA-OH 3.24Å; Y268-Y274 WeakPolarHBondContact CA-OH 3.47Å; Y268-Y274 HydrophobicContact CD2-CD2 4.25Å; Y268-Y274 AromaticContact CD2-CE2 3.86Å; Y268-Y274 HydrophobicContact CD2-CE2 3.86Å; Y268-Y274 HydrophobicContact CE2-CD2 4.48Å; Y268-Y274 HydrophobicContact CE2-CE2 4.24Å; Y268-Y296 AromaticContact CE2-CD1 3.84Å; Y268-Y296 HydrophobicContact CE2-CD1 3.84Å; Y268-Y296 HydrophobicContact CE2-CE1 4.43Å; Y268-Y296 AromaticContact CE2-CG 4Å; Y268-Y296 HydrophobicContact CE2-CG 4Å; Y268-Y296 AromaticContact CZ-CD1 3.75Å; Y268-N298 WeakPolarHBondContact CE2-OD1 3.34Å; Y268-N298 PolarHBondContact OH-OD1 3.37Å; Y268-V299 HydrophobicContact CE2-CG2 4.29Å; Y268-V870 HydrophobicContact CE1-CG1 4.25Å; Y268-V870 HydrophobicContact CE1-CG2 3.83Å; Y268-V870 WeakPolarHBondContact OH-CG2 3.28Å; Y268-R875 PolarHBondContact O-NH1 2.89Å; Y268-I876 HydrophobicContact CD1-CB 4.39Å; Y268-I876 HydrophobicContact CD1-CD1 4.06Å; Y268-I876 HydrophobicContact CD1-CG1 3.75Å; Y268-I876 HydrophobicContact CD1-CG2 3.97Å; Y268-I876 HydrophobicContact CD2-CD1 4.2Å; Y268-I876 HydrophobicContact CE1-CG2 4.09Å; Y268-I876 HydrophobicContact CG-CD1 3.74Å; Y268-I876 HydrophobicContact CG-CG1 3.81Å
269	H	98.7	Very high	98.7	Very high	44 Å²	44	16.4 Å²	16.4	20%	0.204	7%	0.072	C	C	.	.			trans	-136.9	155.6	161.2	-168.1	-96.5	0	0	0	109.8	D271 H272 Y274 N298 D873 G874	H269-D271 VanDerWaalsContact C-N 3.27Å; H269-D271 IonicContact CE1-OD2 2.67Å; H269-D271 PolarHBondContact CE1-OD2 2.95Å; H269-D271 PolarHBondContact ND1-N 3.49Å; H269-D271 IonicContact ND1-OD2 3.67Å; H269-D271 PolarHBondContact ND1-OD2 3.33Å; H269-D271 PolarHBondContact O-N 3.26Å; H269-H272 PolarHBondContact O-N 3Å; H269-Y274 PolarHBondContact N-OH 2.95Å; H269-N298 PolarHBondContact O-ND2 2.93Å; H269-N298 VanDerWaalsContact O-ND2 3.07Å; H269-D873 PolarHBondContact NE2-O 3.17Å; H269-G874 CarbonylContact C-O 3.59Å; H269-G874 WeakPolarHBondContact CA-O 3.37Å
270	R	98.3	Very high	98.7	Very high	117 Å²	117	21.7 Å²	21.7	44%	0.442	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30	-175.7	76.1	175	67.2	167.2	5.3	113.7	N298 V870 K871 G872 G874	R270-N298 PolarHBondContact O-ND2 3.2Å; R270-V870 HydrophobicContact CB-CG1 4.39Å; R270-K871 PolarHBondContact NH2-O 3.08Å; R270-K871 VanDerWaalsContact NH2-O 3.13Å; R270-G872 PolarHBondContact NH2-O 3.47Å; R270-G874 PolarHBondContact N-O 3.34Å; R270-G874 VanDerWaalsContact N-O 3.1Å; R270-G874 VanDerWaalsContact NE-CA 3.29Å; R270-G874 VanDerWaalsContact NH2-N 3.13Å
271	D	98	Very high	98.6	Very high	71 Å²	71	28 Å²	28	38%	0.38	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.1	-172.4	-61.5	-54	0	0	0	112.9	R245 H269	R245-D271 WeakPolarHBondContact CB-O 3.49Å; R245-D271 WeakPolarHBondContact CD-O 3.27Å; R245-D271 HydrophobicContact CG-CB 4.25Å; R245-D271 WeakPolarHBondContact CG-O 3.47Å; H269-D271 VanDerWaalsContact C-N 3.27Å; H269-D271 IonicContact CE1-OD2 2.67Å; H269-D271 PolarHBondContact CE1-OD2 2.95Å; H269-D271 PolarHBondContact ND1-N 3.49Å; H269-D271 IonicContact ND1-OD2 3.67Å; H269-D271 PolarHBondContact ND1-OD2 3.33Å; H269-D271 PolarHBondContact O-N 3.26Å
272	H	98.8	Very high	98.5	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.014	12%	0.116	C	C	.	.	S	Bend	trans	-90.9	165.5	172.8	-65.5	-30.5	0	0	0	111.6	V246 F248 H269 Y274 N298 N350	V246-H272 PolarHBondContact N-ND1 3.44Å; F248-H272 HydrophobicContact CD2-CB 4.37Å; F248-H272 HydrophobicContact CE2-CB 4.2Å; F248-H272 AromaticContact CE2-CD2 3.96Å; H269-H272 PolarHBondContact O-N 3Å; H272-Y274 HydrophobicContact CB-CE2 3.95Å; H272-Y274 VanDerWaalsContact CB-OH 3.27Å; H272-Y274 WeakPolarHBondContact CB-OH 3.41Å; H272-N298 WeakPolarHBondContact O-CB 3.43Å; H272-N298 PolarHBondContact O-ND2 2.86Å; H272-N350 PolarHBondContact CD2-OD1 2.98Å; H272-N350 VanDerWaalsContact CD2-OD1 3.25Å; H272-N350 PolarHBondContact NE2-OD1 2.8Å
273	F	98.9	Very high	98.5	Very high	20 Å²	20	30 Å²	30	9%	0.088	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.5	-176.6	-48	-81.5	0	0	0	111	R245 V246 A247 F248 N298 W332 W334	R245-F273 HydrophobicContact CB-CE2 3.96Å; V246-F273 PolarHBondContact O-N 3Å; A247-F273 WeakPolarHBondContact CA-O 3.34Å; F248-F273 PolarHBondContact N-O 2.61Å; F273-N298 HydrophobicContact CD1-CB 4.38Å; F273-W332 HydrophobicContact CB-CD2 3.85Å; F273-W332 HydrophobicContact CB-CE3 3.58Å; F273-W332 HydrophobicContact CB-CG 4.47Å; F273-W332 HydrophobicContact CB-CH2 4.11Å; F273-W332 HydrophobicContact CB-CZ2 4.38Å; F273-W332 HydrophobicContact CB-CZ3 3.73Å; F273-W332 HydrophobicContact CD1-CB 3.9Å; F273-W332 AromaticContact CD1-CD1 3.5Å; F273-W332 VanDerWaalsContact CD1-CD1 3.5Å; F273-W332 AromaticContact CD1-CD2 3.47Å; F273-W332 HydrophobicContact CD1-CD2 3.47Å; F273-W332 VanDerWaalsContact CD1-CD2 3.47Å; F273-W332 AromaticContact CD1-CE2 3.62Å; F273-W332 HydrophobicContact CD1-CE3 4.14Å; F273-W332 AromaticContact CD1-CG 3.37Å; F273-W332 HydrophobicContact CD1-CG 3.37Å; F273-W332 HydrophobicContact CD1-CZ2 4.33Å; F273-W332 AromaticContact CD1-NE1 3.64Å; F273-W332 HydrophobicContact CE1-CB 3.95Å; F273-W332 AromaticContact CE1-CD1 3.56Å; F273-W332 HydrophobicContact CE1-CD2 4.27Å; F273-W332 AromaticContact CE1-CG 3.68Å; F273-W332 HydrophobicContact CE1-CG 3.68Å; F273-W332 HydrophobicContact CG-CB 4.19Å; F273-W332 AromaticContact CG-CD2 3.85Å; F273-W332 HydrophobicContact CG-CD2 3.85Å; F273-W332 HydrophobicContact CG-CE3 4.04Å; F273-W332 AromaticContact CG-CG 3.96Å; F273-W332 HydrophobicContact CG-CG 3.96Å; F273-W332 HydrophobicContact CZ-CB 4.27Å; F273-W332 HydrophobicContact CZ-CG 4.48Å; F273-W334 HydrophobicContact CD2-CB 3.82Å; F273-W334 HydrophobicContact CE2-CB 3.99Å
274	Y	98.9	Very high	98.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	108.4	-173.8	-55.7	-88	0	0	0	110.3	F248 I267 Y268 H269 H272 N298 V299 R300	F248-Y274 HydrophobicContact CB-CD1 3.73Å; F248-Y274 HydrophobicContact CB-CE1 4.03Å; F248-Y274 AromaticContact CD2-CD1 3.87Å; F248-Y274 HydrophobicContact CD2-CD1 3.87Å; F248-Y274 AromaticContact CD2-CE1 3.26Å; F248-Y274 HydrophobicContact CD2-CE1 3.26Å; F248-Y274 AromaticContact CD2-CZ 3.82Å; F248-Y274 AromaticContact CE2-CE1 3.93Å; F248-Y274 HydrophobicContact CE2-CE1 3.93Å; F248-Y274 HydrophobicContact CG-CD1 4.11Å; F248-Y274 AromaticContact CG-CE1 3.87Å; F248-Y274 HydrophobicContact CG-CE1 3.87Å; F248-Y274 WeakPolarHBondContact O-CA 3.24Å; I267-Y274 HydrophobicContact CD1-CD1 4.19Å; I267-Y274 HydrophobicContact CD1-CE1 3.88Å; I267-Y274 HydrophobicContact CG1-CD1 4.47Å; I267-Y274 HydrophobicContact CG1-CE1 3.82Å; I267-Y274 PolarHBondContact O-OH 3.3Å; Y268-Y274 VanDerWaalsContact CA-OH 3.24Å; Y268-Y274 WeakPolarHBondContact CA-OH 3.47Å; Y268-Y274 HydrophobicContact CD2-CD2 4.25Å; Y268-Y274 AromaticContact CD2-CE2 3.86Å; Y268-Y274 HydrophobicContact CD2-CE2 3.86Å; Y268-Y274 HydrophobicContact CE2-CD2 4.48Å; Y268-Y274 HydrophobicContact CE2-CE2 4.24Å; H269-Y274 PolarHBondContact N-OH 2.95Å; H272-Y274 HydrophobicContact CB-CE2 3.95Å; H272-Y274 VanDerWaalsContact CB-OH 3.27Å; H272-Y274 WeakPolarHBondContact CB-OH 3.41Å; Y274-N298 PolarHBondContact N-O 3.45Å; Y274-V299 HydrophobicContact CD2-CG2 4.03Å; Y274-V299 HydrophobicContact CG-CG2 4.33Å; Y274-V299 WeakPolarHBondContact O-CA 3.48Å; Y274-R300 PolarHBondContact O-N 2.92Å
275	Y	98.9	Very high	98.4	Very high	6 Å²	6	30.9 Å²	30.9	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.4	178.6	-159.7	-146.3	0	0	0	110.7	F248 V249 L250 R300 T302 P303 D325 L326 M329	F248-Y275 PolarHBondContact O-N 3.37Å; V249-Y275 CarbonylContact C-O 3.53Å; V249-Y275 WeakPolarHBondContact CA-O 3.39Å; L250-Y275 PolarHBondContact N-O 2.84Å; Y275-R300 CarbonylContact C-O 3.56Å; Y275-R300 WeakPolarHBondContact CA-O 3.17Å; Y275-R300 HydrophobicContact CD2-CB 3.7Å; Y275-R300 WeakPolarHBondContact CD2-O 3.47Å; Y275-R300 HydrophobicContact CE2-CB 4Å; Y275-T302 HydrophobicContact CD1-CG2 4.17Å; Y275-T302 HydrophobicContact CD2-CG2 4.39Å; Y275-T302 HydrophobicContact CE1-CG2 3.76Å; Y275-T302 HydrophobicContact CE2-CG2 3.99Å; Y275-T302 HydrophobicContact CG-CG2 4.47Å; Y275-P303 VanDerWaalsContact OH-CD 3.3Å; Y275-P303 WeakPolarHBondContact OH-CD 3.4Å; Y275-D325 HydrophobicContact CE1-CB 3.62Å; Y275-D325 VanDerWaalsContact CE1-OD2 3.31Å; Y275-D325 WeakPolarHBondContact CE1-OD2 3.5Å; Y275-D325 PolarHBondContact OH-OD2 3.03Å; Y275-L326 HydrophobicContact CD1-CD2 4.43Å; Y275-L326 HydrophobicContact CD1-CG 4.17Å; Y275-M329 HydrophobicContact CD2-CE 4.44Å; Y275-M329 HydrophobicContact CE1-CE 4.41Å; Y275-M329 HydrophobicContact CE2-CE 3.88Å
276	I	98.9	Very high	98.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.3	-165.9	-48.6	-175.9	0	0	0	110.2	L250 V252 I264 V278 V289 V299 R300 A301 T302	L250-I276 HydrophobicContact CB-CB 4.47Å; L250-I276 HydrophobicContact CB-CG1 4.23Å; L250-I276 HydrophobicContact CB-CG2 4.17Å; L250-I276 HydrophobicContact CD1-CD1 4.07Å; L250-I276 HydrophobicContact CD1-CG1 4.05Å; L250-I276 HydrophobicContact CG-CG1 4.31Å; V252-I276 HydrophobicContact CG2-CG2 4.02Å; I264-I276 HydrophobicContact CD1-CD1 3.99Å; I276-V278 HydrophobicContact CG2-CG2 4.15Å; I276-V289 HydrophobicContact CB-CG1 3.78Å; I276-V289 HydrophobicContact CD1-CG1 4.16Å; I276-V289 HydrophobicContact CG2-CB 4.42Å; I276-V289 HydrophobicContact CG2-CG1 3.56Å; I276-V289 HydrophobicContact CG2-CG2 3.93Å; I276-V299 HydrophobicContact CD1-CG1 3.8Å; I276-V299 HydrophobicContact CG1-CG1 4.41Å; I276-R300 PolarHBondContact N-O 2.66Å; I276-A301 WeakPolarHBondContact O-CA 3.15Å; I276-T302 PolarHBondContact O-N 3.38Å
277	H	98.9	Very high	98.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.5	168.5	175.3	-89.6	0	0	0	109.9	L250 V251 V252 T302 W304 M306	L250-H277 PolarHBondContact O-N 2.78Å; V251-H277 HydrophobicContact CG2-CB 4.42Å; V252-H277 WeakPolarHBondContact CG2-O 3.44Å; V252-H277 PolarHBondContact N-O 3.28Å; H277-T302 WeakPolarHBondContact CA-OG1 3.33Å; H277-T302 HydrophobicContact CB-CG2 3.91Å; H277-W304 AromaticContact CD2-CE3 3.93Å; H277-W304 AromaticContact CD2-CH2 3.65Å; H277-W304 AromaticContact CD2-CZ3 3.25Å; H277-W304 WeakPolarHBondContact CD2-CZ3 3.36Å; H277-W304 AromaticContact NE2-CZ3 3.58Å; H277-M306 PolarHBondContact NE2-N 3.21Å
278	V	98.9	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.6	174.6	-169.5	0	0	0	0	110.1	V252 I276 K280 L285 H286 V289 R305	V252-V278 HydrophobicContact CG2-CB 4.34Å; V252-V278 HydrophobicContact CG2-CG1 4.33Å; V252-V278 HydrophobicContact CG2-CG2 3.8Å; V252-V278 WeakPolarHBondContact O-CA 3.39Å; I276-V278 HydrophobicContact CG2-CG2 4.15Å; V278-K280 PolarHBondContact O-N 2.82Å; V278-L285 HydrophobicContact CG1-CB 4.06Å; V278-L285 HydrophobicContact CG1-CD2 4.17Å; V278-L285 HydrophobicContact CG1-CG 4.11Å; V278-H286 HydrophobicContact CB-CB 4.14Å; V278-H286 HydrophobicContact CG1-CB 3.94Å; V278-H286 HydrophobicContact CG2-CB 4.49Å; V278-V289 HydrophobicContact CG2-CB 3.95Å; V278-V289 HydrophobicContact CG2-CG1 3.9Å; V278-V289 HydrophobicContact CG2-CG2 3.9Å; V278-R305 WeakPolarHBondContact O-CG 3.33Å; V278-R305 PolarHBondContact O-NE 3.16Å
279	D	98.6	Very high	98.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.156	C	C	.	.			trans	-46.1	135.4	178.6	178.9	-75.2	0	0	0	111.6	V252 H253 R281 S282 R305 M306 T308	V252-D279 PolarHBondContact O-N 3.37Å; H253-D279 HydrophobicContact CB-CB 3.68Å; D279-R281 PolarHBondContact O-N 3.31Å; D279-R281 WeakPolarHBondContact OD1-CB 3.15Å; D279-R281 WeakPolarHBondContact OD1-CG 3.47Å; D279-R281 IonicContact OD1-CZ 3.13Å; D279-R281 PolarHBondContact OD1-N 2.64Å; D279-R281 IonicContact OD1-NE 2.7Å; D279-R281 PolarHBondContact OD1-NE 3.13Å; D279-R281 IonicContact OD1-NH2 2.69Å; D279-R281 IonicContact OD2-CZ 3.4Å; D279-R281 IonicContact OD2-NE 3.8Å; D279-R281 PolarHBondContact OD2-NE 2.91Å; D279-R281 IonicContact OD2-NH2 2.67Å; D279-R281 PolarHBondContact OD2-NH2 2.88Å; D279-S282 PolarHBondContact O-N 2.8Å; D279-R305 PolarHBondContact O-NH2 3.05Å; D279-M306 WeakPolarHBondContact CA-O 3.42Å; D279-T308 PolarHBondContact OD2-N 3.18Å; D279-T308 PolarHBondContact OD2-OG1 3.11Å
280	K	98.1	Very high	98.4	Very high	116 Å²	116	37.5 Å²	37.5	50%	0.504	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.4	-172.4	-177.1	64.8	178.3	-173.7	0	113.9	V278 N283 R305 M306 V307	V278-K280 PolarHBondContact O-N 2.82Å; K280-N283 PolarHBondContact O-OD1 2.64Å; K280-R305 VanDerWaalsContact C-NH2 3.31Å; K280-R305 HydrophobicContact CB-CB 4.2Å; K280-R305 HydrophobicContact CD-CB 3.98Å; K280-R305 PolarHBondContact O-NH2 2.76Å; K280-R305 VanDerWaalsContact O-NH2 3.1Å; K280-M306 PolarHBondContact N-O 3.33Å; K280-V307 HydrophobicContact CB-CG2 3.82Å; K280-V307 HydrophobicContact CG-CG2 4.33Å
281	R	96.7	Very high	98.3	Very high	131 Å²	131	35.8 Å²	35.8	49%	0.494	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-28.3	174.8	-56.4	166.1	-72.6	-165.8	-9.2	112.9	D279 N283 V307 T308	D279-R281 PolarHBondContact O-N 3.31Å; D279-R281 WeakPolarHBondContact OD1-CB 3.15Å; D279-R281 WeakPolarHBondContact OD1-CG 3.47Å; D279-R281 IonicContact OD1-CZ 3.13Å; D279-R281 PolarHBondContact OD1-N 2.64Å; D279-R281 IonicContact OD1-NE 2.7Å; D279-R281 PolarHBondContact OD1-NE 3.13Å; D279-R281 IonicContact OD1-NH2 2.69Å; D279-R281 IonicContact OD2-CZ 3.4Å; D279-R281 IonicContact OD2-NE 3.8Å; D279-R281 PolarHBondContact OD2-NE 2.91Å; D279-R281 IonicContact OD2-NH2 2.67Å; D279-R281 PolarHBondContact OD2-NH2 2.88Å; R281-N283 VanDerWaalsContact C-N 3.3Å; R281-N283 PolarHBondContact O-N 2.82Å; R281-V307 HydrophobicContact CG-CG1 4.24Å; R281-V307 HydrophobicContact CG-CG2 4.47Å; R281-T308 PolarHBondContact NH2-O 3.14Å
282	S	97.9	Very high	98.4	Very high	16 Å²	16	32.5 Å²	32.5	11%	0.112	15%	0.145	C	C	.	.			trans	-85.7	59.5	-170.4	-56.3	0	0	0	0	112.7	H253 G254 D279 Y284 L285 H286	H253-S282 WeakPolarHBondContact CA-OG 3.48Å; G254-S282 PolarHBondContact N-OG 3Å; D279-S282 PolarHBondContact O-N 2.8Å; S282-Y284 PolarHBondContact O-N 3.48Å; S282-L285 PolarHBondContact O-N 2.85Å; S282-H286 PolarHBondContact O-N 2.86Å
283	N	97.6	Very high	98.3	Very high	71 Å²	71	33.7 Å²	33.7	38%	0.38	16%	0.155	S	C	.	.	H	α-helix	trans	-65.7	-35.8	-170.9	-73.9	-31	0	0	0	114.9	K280 R281 H286 R287 R305	K280-N283 PolarHBondContact O-OD1 2.64Å; R281-N283 VanDerWaalsContact C-N 3.3Å; R281-N283 PolarHBondContact O-N 2.82Å; N283-H286 WeakPolarHBondContact O-CB 3.34Å; N283-H286 PolarHBondContact O-N 3Å; N283-R287 WeakPolarHBondContact O-CG 3.32Å; N283-R287 PolarHBondContact O-N 2.83Å; N283-R305 PolarHBondContact OD1-NH1 2.81Å; N283-R305 PolarHBondContact OD1-NH2 3.24Å
284	Y	97.7	Very high	98.3	Very high	18 Å²	18	40.3 Å²	40.3	7%	0.071	19%	0.186	C	C	.	.	H	α-helix	trans	-57.4	-54	170.5	166.7	-111.7	0	0	0	112.3	R255 I257 S282 H286 R287 E288 S551 E554	R255-Y284 VanDerWaalsContact CZ-CB 3.43Å; R255-Y284 VanDerWaalsContact NH1-CB 3.31Å; I257-Y284 HydrophobicContact CB-CE1 4.42Å; I257-Y284 HydrophobicContact CG2-CE1 3.82Å; I257-Y284 WeakPolarHBondContact CG2-OH 3.46Å; S282-Y284 PolarHBondContact O-N 3.48Å; Y284-H286 PolarHBondContact O-N 2.93Å; Y284-R287 PolarHBondContact O-N 3.37Å; Y284-R287 VanDerWaalsContact O-N 3.09Å; Y284-E288 HydrophobicContact CD2-CG 4.43Å; Y284-E288 HydrophobicContact CE2-CG 3.99Å; Y284-E288 PolarHBondContact O-N 2.72Å; Y284-E288 VanDerWaalsContact O-N 3.11Å; Y284-S551 VanDerWaalsContact CZ-CB 3.45Å; Y284-S551 WeakPolarHBondContact OH-CB 3.39Å; Y284-E554 HydrophobicContact CD2-CB 4.48Å; Y284-E554 HydrophobicContact CD2-CG 3.48Å; Y284-E554 VanDerWaalsContact CD2-CG 3.48Å; Y284-E554 HydrophobicContact CE2-CG 3.59Å; Y284-E554 HydrophobicContact CG-CG 4.44Å
285	L	98.5	Very high	98.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-33.7	179.3	-171.6	64.1	0	0	0	111.5	V252 I257 L260 V278 S282 V289	V252-L285 HydrophobicContact CB-CD2 4.01Å; V252-L285 HydrophobicContact CG2-CD2 3.73Å; V252-L285 HydrophobicContact CG2-CG 4.26Å; I257-L285 HydrophobicContact CB-CD1 3.9Å; I257-L285 HydrophobicContact CD1-CD1 3.9Å; I257-L285 HydrophobicContact CG1-CD1 4.46Å; L260-L285 HydrophobicContact CD2-CD1 4.01Å; V278-L285 HydrophobicContact CG1-CB 4.06Å; V278-L285 HydrophobicContact CG1-CD2 4.17Å; V278-L285 HydrophobicContact CG1-CG 4.11Å; S282-L285 PolarHBondContact O-N 2.85Å; L285-V289 WeakPolarHBondContact O-CB 3.5Å; L285-V289 VanDerWaalsContact O-CG2 3.28Å; L285-V289 WeakPolarHBondContact O-CG2 3.5Å; L285-V289 PolarHBondContact O-N 3.12Å
286	H	98.6	Very high	98.2	Very high	30 Å²	30	45.6 Å²	45.6	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-46.7	174.8	-179.2	-100.7	0	0	0	112.8	V278 S282 N283 Y284 E288 V289 Q290 R305	V278-H286 HydrophobicContact CB-CB 4.14Å; V278-H286 HydrophobicContact CG1-CB 3.94Å; V278-H286 HydrophobicContact CG2-CB 4.49Å; S282-H286 PolarHBondContact O-N 2.86Å; N283-H286 WeakPolarHBondContact O-CB 3.34Å; N283-H286 PolarHBondContact O-N 3Å; Y284-H286 PolarHBondContact O-N 2.93Å; H286-E288 PolarHBondContact O-N 3.38Å; H286-V289 PolarHBondContact O-N 3.45Å; H286-Q290 PolarHBondContact CE1-OE1 3.05Å; H286-Q290 PolarHBondContact ND1-OE1 3.08Å; H286-Q290 WeakPolarHBondContact O-CG 3.4Å; H286-Q290 PolarHBondContact O-N 3.01Å; H286-R305 VanDerWaalsContact CD2-CD 3.41Å; H286-R305 WeakPolarHBondContact CD2-CD 3.32Å
287	R	98.1	Very high	98.1	Very high	67 Å²	67	51.1 Å²	51.1	25%	0.253	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-37	176.5	-68.2	-173	-58.7	-93.4	-2.1	111.9	N283 Y284 Q291 A556 D557	N283-R287 WeakPolarHBondContact O-CG 3.32Å; N283-R287 PolarHBondContact O-N 2.83Å; Y284-R287 PolarHBondContact O-N 3.37Å; Y284-R287 VanDerWaalsContact O-N 3.09Å; R287-Q291 PolarHBondContact O-N 3.19Å; R287-Q291 PolarHBondContact O-NE2 3.5Å; R287-A556 PolarHBondContact NH1-O 2.8Å; R287-D557 IonicContact CZ-OD1 3.84Å; R287-D557 IonicContact NH1-OD1 3.24Å; R287-D557 PolarHBondContact NH1-OD1 2.95Å; R287-D557 IonicContact NH2-OD1 3.65Å; R287-D557 PolarHBondContact NH2-OD1 2.81Å; R287-D557 IonicContact NH2-OD2 3.26Å
288	E	98.4	Very high	98.1	Very high	32 Å²	32	51.7 Å²	51.7	15%	0.15	25%	0.249	C	C	.	.	H	α-helix	trans	-70.3	-44.8	175.1	-72.4	-67.6	111.5	0	0	112.6	I257 K261 Y284 H286 Q290 Q291 I292	I257-E288 HydrophobicContact CB-CB 4.47Å; I257-E288 HydrophobicContact CB-CG 4.42Å; I257-E288 HydrophobicContact CD1-CB 3.53Å; I257-E288 HydrophobicContact CD1-CG 4.33Å; I257-E288 HydrophobicContact CG1-CB 3.62Å; I257-E288 HydrophobicContact CG1-CG 3.85Å; I257-E288 HydrophobicContact CG2-CG 4.49Å; K261-E288 IonicContact NZ-OE2 3.82Å; K261-E288 PolarHBondContact NZ-OE2 2.79Å; Y284-E288 HydrophobicContact CD2-CG 4.43Å; Y284-E288 HydrophobicContact CE2-CG 3.99Å; Y284-E288 PolarHBondContact O-N 2.72Å; Y284-E288 VanDerWaalsContact O-N 3.11Å; H286-E288 PolarHBondContact O-N 3.38Å; E288-Q290 VanDerWaalsContact C-N 3.28Å; E288-Q290 PolarHBondContact O-N 3.32Å; E288-Q291 WeakPolarHBondContact O-CB 3.47Å; E288-Q291 PolarHBondContact O-N 2.61Å; E288-Q291 VanDerWaalsContact O-N 3.12Å; E288-Q291 PolarHBondContact OE1-NE2 2.7Å; E288-I292 WeakPolarHBondContact O-CG1 3.43Å; E288-I292 PolarHBondContact O-N 3.27Å; E288-I292 VanDerWaalsContact O-N 3.16Å
289	V	98.7	Very high	98.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-35.8	176.1	161.5	0	0	0	0	111.9	L260 I276 V278 L285 H286 Q291 I292 A293 A301	L260-V289 HydrophobicContact CD2-CG2 3.87Å; I276-V289 HydrophobicContact CB-CG1 3.78Å; I276-V289 HydrophobicContact CD1-CG1 4.16Å; I276-V289 HydrophobicContact CG2-CB 4.42Å; I276-V289 HydrophobicContact CG2-CG1 3.56Å; I276-V289 HydrophobicContact CG2-CG2 3.93Å; V278-V289 HydrophobicContact CG2-CB 3.95Å; V278-V289 HydrophobicContact CG2-CG1 3.9Å; V278-V289 HydrophobicContact CG2-CG2 3.9Å; L285-V289 WeakPolarHBondContact O-CB 3.5Å; L285-V289 VanDerWaalsContact O-CG2 3.28Å; L285-V289 WeakPolarHBondContact O-CG2 3.5Å; L285-V289 PolarHBondContact O-N 3.12Å; H286-V289 PolarHBondContact O-N 3.45Å; V289-Q291 VanDerWaalsContact C-N 3.33Å; V289-Q291 PolarHBondContact O-N 2.76Å; V289-I292 PolarHBondContact O-N 2.58Å; V289-A293 PolarHBondContact O-N 3.36Å; V289-A301 HydrophobicContact CG1-CB 3.96Å
290	Q	98.4	Very high	98.1	Very high	86 Å²	86	55.2 Å²	55.2	40%	0.402	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-37.1	173.5	-73.2	-179.7	-75.1	0	0	112.5	H286 E288 A293 Q294	H286-Q290 PolarHBondContact CE1-OE1 3.05Å; H286-Q290 PolarHBondContact ND1-OE1 3.08Å; H286-Q290 WeakPolarHBondContact O-CG 3.4Å; H286-Q290 PolarHBondContact O-N 3.01Å; E288-Q290 VanDerWaalsContact C-N 3.28Å; E288-Q290 PolarHBondContact O-N 3.32Å; Q290-A293 PolarHBondContact O-N 2.94Å; Q290-Q294 VanDerWaalsContact O-CG 3.32Å; Q290-Q294 WeakPolarHBondContact O-CG 3.25Å; Q290-Q294 PolarHBondContact O-N 3.02Å
291	Q	97.8	Very high	98.1	Very high	82 Å²	82	51 Å²	51	38%	0.383	25%	0.25	S	C	.	.	H	α-helix	trans	-66.8	-39.6	173.9	-66.1	165.1	55.4	0	0	111.6	R287 E288 V289 Q294 Q295	R287-Q291 PolarHBondContact O-N 3.19Å; R287-Q291 PolarHBondContact O-NE2 3.5Å; E288-Q291 WeakPolarHBondContact O-CB 3.47Å; E288-Q291 PolarHBondContact O-N 2.61Å; E288-Q291 VanDerWaalsContact O-N 3.12Å; E288-Q291 PolarHBondContact OE1-NE2 2.7Å; V289-Q291 VanDerWaalsContact C-N 3.33Å; V289-Q291 PolarHBondContact O-N 2.76Å; Q291-Q294 WeakPolarHBondContact O-CB 3.31Å; Q291-Q294 PolarHBondContact O-N 3.06Å; Q291-Q295 WeakPolarHBondContact O-CG 3.44Å; Q291-Q295 PolarHBondContact O-N 2.89Å
292	I	98.4	Very high	98.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-43.2	176.6	-58	171	0	0	0	110.6	I257 K261 I264 E288 V289 Q294 Q295 Y296 V299 L867	I257-I292 HydrophobicContact CD1-CD1 4.08Å; K261-I292 HydrophobicContact CD-CD1 4.43Å; K261-I292 HydrophobicContact CG-CD1 3.71Å; I264-I292 HydrophobicContact CD1-CD1 4.16Å; I264-I292 HydrophobicContact CD1-CG2 4.43Å; E288-I292 WeakPolarHBondContact O-CG1 3.43Å; E288-I292 PolarHBondContact O-N 3.27Å; E288-I292 VanDerWaalsContact O-N 3.16Å; V289-I292 PolarHBondContact O-N 2.58Å; I292-Q294 PolarHBondContact O-N 3.04Å; I292-Q295 PolarHBondContact O-N 3.34Å; I292-Y296 HydrophobicContact CG2-CD2 4.26Å; I292-Y296 HydrophobicContact CG2-CE2 4.49Å; I292-V299 HydrophobicContact CG2-CG1 4.28Å; I292-L867 HydrophobicContact CB-CD1 4.46Å; I292-L867 HydrophobicContact CD1-CD1 4.11Å; I292-L867 HydrophobicContact CG1-CD1 3.95Å; I292-L867 HydrophobicContact CG2-CD1 3.73Å
293	A	98.3	Very high	98.1	Very high	27 Å²	27	49.6 Å²	49.6	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-18.4	176.6	0	0	0	0	0	113.7	V289 Q290 V299	V289-A293 PolarHBondContact O-N 3.36Å; Q290-A293 PolarHBondContact O-N 2.94Å; A293-V299 HydrophobicContact CB-CG1 4.29Å
294	Q	97.8	Very high	98.2	Very high	160 Å²	160	48.2 Å²	48.2	75%	0.748	25%	0.247	S	C	*	.	H	α-helix	trans	-83.2	-17.3	171.7	-72.4	167.7	-7.1	0	0	113.1	Q290 Q291 I292	Q290-Q294 VanDerWaalsContact O-CG 3.32Å; Q290-Q294 WeakPolarHBondContact O-CG 3.25Å; Q290-Q294 PolarHBondContact O-N 3.02Å; Q291-Q294 WeakPolarHBondContact O-CB 3.31Å; Q291-Q294 PolarHBondContact O-N 3.06Å; I292-Q294 PolarHBondContact O-N 3.04Å
295	Q	97.5	Very high	98.2	Very high	107 Å²	107	49.3 Å²	49.3	50%	0.5	25%	0.251	S	S	.	.	H	α-helix	trans	-88.9	-24.3	-177.4	-70.2	167.2	7.5	0	0	113.5	Q291 I292	Q291-Q295 WeakPolarHBondContact O-CG 3.44Å; Q291-Q295 PolarHBondContact O-N 2.89Å; I292-Q295 PolarHBondContact O-N 3.34Å
296	Y	98.1	Very high	98.2	Very high	10 Å²	10	50.9 Å²	50.9	4%	0.039	26%	0.259	C	S	.	.			trans	-136.3	123.6	-171.3	-58.7	-77.1	0	0	0	111.8	Y268 I292 N298 V299 L867 G868 V870 I876	Y268-Y296 AromaticContact CE2-CD1 3.84Å; Y268-Y296 HydrophobicContact CE2-CD1 3.84Å; Y268-Y296 HydrophobicContact CE2-CE1 4.43Å; Y268-Y296 AromaticContact CE2-CG 4Å; Y268-Y296 HydrophobicContact CE2-CG 4Å; Y268-Y296 AromaticContact CZ-CD1 3.75Å; I292-Y296 HydrophobicContact CG2-CD2 4.26Å; I292-Y296 HydrophobicContact CG2-CE2 4.49Å; Y296-N298 VanDerWaalsContact C-N 3.25Å; Y296-N298 PolarHBondContact O-N 2.85Å; Y296-V299 HydrophobicContact CD2-CG2 4.31Å; Y296-V299 HydrophobicContact CG-CG2 4.24Å; Y296-V299 PolarHBondContact O-N 3.04Å; Y296-L867 HydrophobicContact CE2-CB 4.16Å; Y296-L867 HydrophobicContact CE2-CD1 4.14Å; Y296-L867 WeakPolarHBondContact OH-CB 3.49Å; Y296-G868 PolarHBondContact OH-N 2.93Å; Y296-G868 PolarHBondContact OH-O 3.29Å; Y296-V870 HydrophobicContact CD1-CG2 4.04Å; Y296-V870 HydrophobicContact CE1-CG2 3.96Å; Y296-I876 HydrophobicContact CE1-CD1 4.38Å; Y296-I876 HydrophobicContact CE1-CG2 4.09Å
297	P	96.9	Very high	98.1	Very high	117 Å²	117	50.9 Å²	50.9	76%	0.76	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-20.7	-173.7	28.4	-35.9	0	0	0	114.2
298	N	98.5	Very high	98.1	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.059	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	10.4	174.7	65.2	-31.4	0	0	0	113.4	Y268 H269 R270 H272 F273 Y274 Y296 W332	Y268-N298 WeakPolarHBondContact CE2-OD1 3.34Å; Y268-N298 PolarHBondContact OH-OD1 3.37Å; H269-N298 PolarHBondContact O-ND2 2.93Å; H269-N298 VanDerWaalsContact O-ND2 3.07Å; R270-N298 PolarHBondContact O-ND2 3.2Å; H272-N298 WeakPolarHBondContact O-CB 3.43Å; H272-N298 PolarHBondContact O-ND2 2.86Å; F273-N298 HydrophobicContact CD1-CB 4.38Å; Y274-N298 PolarHBondContact N-O 3.45Å; Y296-N298 VanDerWaalsContact C-N 3.25Å; Y296-N298 PolarHBondContact O-N 2.85Å; N298-W332 WeakPolarHBondContact O-CH2 3.32Å; N298-W332 WeakPolarHBondContact O-CZ2 3.33Å
299	V	98.8	Very high	98	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.7	172.8	-176.4	0	0	0	0	109.4	Y268 Y274 I276 I292 A293 Y296	Y268-V299 HydrophobicContact CE2-CG2 4.29Å; Y274-V299 HydrophobicContact CD2-CG2 4.03Å; Y274-V299 HydrophobicContact CG-CG2 4.33Å; Y274-V299 WeakPolarHBondContact O-CA 3.48Å; I276-V299 HydrophobicContact CD1-CG1 3.8Å; I276-V299 HydrophobicContact CG1-CG1 4.41Å; I292-V299 HydrophobicContact CG2-CG1 4.28Å; A293-V299 HydrophobicContact CB-CG1 4.29Å; Y296-V299 HydrophobicContact CD2-CG2 4.31Å; Y296-V299 HydrophobicContact CG-CG2 4.24Å; Y296-V299 PolarHBondContact O-N 3.04Å
300	R	98.8	Very high	97.9	Very high	71 Å²	71	50.2 Å²	50.2	27%	0.268	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145	177.5	-71.9	174.8	-179.6	159.4	3.9	110.2	Y274 Y275 I276 M329 D331 W332	Y274-R300 PolarHBondContact O-N 2.92Å; Y275-R300 CarbonylContact C-O 3.56Å; Y275-R300 WeakPolarHBondContact CA-O 3.17Å; Y275-R300 HydrophobicContact CD2-CB 3.7Å; Y275-R300 WeakPolarHBondContact CD2-O 3.47Å; Y275-R300 HydrophobicContact CE2-CB 4Å; I276-R300 PolarHBondContact N-O 2.66Å; R300-M329 PolarHBondContact NH1-SD 2.79Å; R300-D331 IonicContact CZ-OD1 2.8Å; R300-D331 IonicContact CZ-OD2 3.18Å; R300-D331 IonicContact NH1-OD1 3.51Å; R300-D331 PolarHBondContact NH1-OD1 2.97Å; R300-D331 IonicContact NH1-OD2 2.76Å; R300-D331 PolarHBondContact NH1-OD2 3.25Å; R300-D331 IonicContact NH2-OD1 3.3Å; R300-D331 IonicContact NH2-OD2 3.5Å; R300-D331 PolarHBondContact NH2-OD2 2.9Å; R300-W332 HydrophobicContact CB-CH2 3.69Å; R300-W332 HydrophobicContact CB-CZ2 4.18Å; R300-W332 HydrophobicContact CB-CZ3 4.44Å; R300-W332 HydrophobicContact CG-CH2 3.6Å; R300-W332 HydrophobicContact CG-CZ2 3.54Å
301	A	98.6	Very high	97.7	Very high	27 Å²	27	46.4 Å²	46.4	22%	0.223	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.1	169.1	0	0	0	0	0	110	I276 V289	I276-A301 WeakPolarHBondContact O-CA 3.15Å; V289-A301 HydrophobicContact CG1-CB 3.96Å
302	T	98.6	Very high	97.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.225	C	C	.	.			trans	-66.6	127.5	176	60.7	0	0	0	0	110.3	Y275 I276 H277 W304	Y275-T302 HydrophobicContact CD1-CG2 4.17Å; Y275-T302 HydrophobicContact CD2-CG2 4.39Å; Y275-T302 HydrophobicContact CE1-CG2 3.76Å; Y275-T302 HydrophobicContact CE2-CG2 3.99Å; Y275-T302 HydrophobicContact CG-CG2 4.47Å; I276-T302 PolarHBondContact O-N 3.38Å; H277-T302 WeakPolarHBondContact CA-OG1 3.33Å; H277-T302 HydrophobicContact CB-CG2 3.91Å; T302-W304 VanDerWaalsContact C-N 3.28Å; T302-W304 CarbonylContact C-O 3.49Å; T302-W304 VanDerWaalsContact CB-O 3.24Å; T302-W304 WeakPolarHBondContact CB-O 3.44Å; T302-W304 HydrophobicContact CG2-CH2 4.12Å; T302-W304 HydrophobicContact CG2-CZ2 3.63Å; T302-W304 PolarHBondContact O-N 3.23Å; T302-W304 PolarHBondContact OG1-O 3.33Å
303	P	96.8	Very high	97.5	Very high	116 Å²	116	43.1 Å²	43.1	75%	0.753	23%	0.23	S	C	*	.	S	Bend	trans	-71.3	-29.2	179.3	28.4	-32.9	0	0	0	111.6	Y275	Y275-P303 VanDerWaalsContact OH-CD 3.3Å; Y275-P303 WeakPolarHBondContact OH-CD 3.4Å
304	W	98.3	Very high	97.5	Very high	41 Å²	41	42.4 Å²	42.4	16%	0.155	22%	0.224	C	C	.	.	S	Bend	trans	-87.6	150.8	167.5	55.1	-90.3	0	0	0	110.2	H277 T302 M306 A318 H321 S322 D325	H277-W304 AromaticContact CD2-CE3 3.93Å; H277-W304 AromaticContact CD2-CH2 3.65Å; H277-W304 AromaticContact CD2-CZ3 3.25Å; H277-W304 WeakPolarHBondContact CD2-CZ3 3.36Å; H277-W304 AromaticContact NE2-CZ3 3.58Å; T302-W304 VanDerWaalsContact C-N 3.28Å; T302-W304 CarbonylContact C-O 3.49Å; T302-W304 VanDerWaalsContact CB-O 3.24Å; T302-W304 WeakPolarHBondContact CB-O 3.44Å; T302-W304 HydrophobicContact CG2-CH2 4.12Å; T302-W304 HydrophobicContact CG2-CZ2 3.63Å; T302-W304 PolarHBondContact O-N 3.23Å; T302-W304 PolarHBondContact OG1-O 3.33Å; W304-M306 HydrophobicContact CE3-CE 3.65Å; W304-M306 HydrophobicContact CE3-CG 4.02Å; W304-M306 HydrophobicContact CE3-SD 4.34Å; W304-M306 HydrophobicContact CZ3-CE 3.64Å; W304-M306 HydrophobicContact CZ3-CG 4.07Å; W304-M306 HydrophobicContact CZ3-SD 4.01Å; W304-A318 HydrophobicContact CH2-CB 3.99Å; W304-A318 VanDerWaalsContact CH2-O 3.32Å; W304-A318 WeakPolarHBondContact CH2-O 3.43Å; W304-A318 HydrophobicContact CZ3-CB 3.91Å; W304-H321 AromaticContact CD1-CE1 3.54Å; W304-H321 AromaticContact CD1-ND1 3.31Å; W304-H321 VanDerWaalsContact CD1-ND1 3.31Å; W304-H321 AromaticContact CD2-ND1 3.53Å; W304-H321 AromaticContact CE2-ND1 3.19Å; W304-H321 AromaticContact CG-CE1 3.94Å; W304-H321 AromaticContact CG-ND1 3.65Å; W304-H321 HydrophobicContact CH2-CB 4.09Å; W304-H321 HydrophobicContact CZ2-CB 3.89Å; W304-H321 AromaticContact CZ2-ND1 3.78Å; W304-H321 AromaticContact NE1-CE1 3.7Å; W304-H321 AromaticContact NE1-ND1 3.03Å; W304-H321 PolarHBondContact NE1-ND1 3.09Å; W304-S322 WeakPolarHBondContact CH2-OG 3.43Å; W304-S322 WeakPolarHBondContact CZ2-OG 3.49Å; W304-D325 PolarHBondContact NE1-OD2 3.3Å
305	R	98.4	Very high	97.5	Very high	42 Å²	42	36.4 Å²	36.4	16%	0.158	20%	0.196	C	C	.	.			trans	-141.4	135.6	177.2	-69.4	171.2	63.8	-152.8	-5.9	109.7	V278 D279 K280 N283 H286	V278-R305 WeakPolarHBondContact O-CG 3.33Å; V278-R305 PolarHBondContact O-NE 3.16Å; D279-R305 PolarHBondContact O-NH2 3.05Å; K280-R305 VanDerWaalsContact C-NH2 3.31Å; K280-R305 HydrophobicContact CB-CB 4.2Å; K280-R305 HydrophobicContact CD-CB 3.98Å; K280-R305 PolarHBondContact O-NH2 2.76Å; K280-R305 VanDerWaalsContact O-NH2 3.1Å; N283-R305 PolarHBondContact OD1-NH1 2.81Å; N283-R305 PolarHBondContact OD1-NH2 3.24Å; H286-R305 VanDerWaalsContact CD2-CD 3.41Å; H286-R305 WeakPolarHBondContact CD2-CD 3.32Å
306	M	97.8	Very high	97.6	Very high	35 Å²	35	31.7 Å²	31.7	17%	0.172	18%	0.175	C	C	.	.			trans	-114.1	159.2	-178.8	-61.8	-179.5	-170.4	0	0	110.2	H277 D279 K280 W304 T308 K317 A318 H321	H277-M306 PolarHBondContact NE2-N 3.21Å; D279-M306 WeakPolarHBondContact CA-O 3.42Å; K280-M306 PolarHBondContact N-O 3.33Å; W304-M306 HydrophobicContact CE3-CE 3.65Å; W304-M306 HydrophobicContact CE3-CG 4.02Å; W304-M306 HydrophobicContact CE3-SD 4.34Å; W304-M306 HydrophobicContact CZ3-CE 3.64Å; W304-M306 HydrophobicContact CZ3-CG 4.07Å; W304-M306 HydrophobicContact CZ3-SD 4.01Å; M306-T308 HydrophobicContact CB-CG2 4.4Å; M306-T308 PolarHBondContact O-N 3.05Å; M306-K317 HydrophobicContact CE-CB 4.43Å; M306-K317 HydrophobicContact CE-CD 4.11Å; M306-K317 HydrophobicContact CE-CG 3.87Å; M306-K317 HydrophobicContact SD-CB 4.09Å; M306-K317 HydrophobicContact SD-CD 4.21Å; M306-K317 HydrophobicContact SD-CG 4.11Å; M306-A318 HydrophobicContact SD-CB 4.05Å; M306-H321 HydrophobicContact CE-CB 4.38Å
307	V	97.8	Very high	97.6	Very high	30 Å²	30	37.7 Å²	37.7	18%	0.182	20%	0.201	C	C	.	.			trans	-89.4	88.9	169.8	-176.5	0	0	0	0	107.8	K280 R281 I309 S314 N391	K280-V307 HydrophobicContact CB-CG2 3.82Å; K280-V307 HydrophobicContact CG-CG2 4.33Å; R281-V307 HydrophobicContact CG-CG1 4.24Å; R281-V307 HydrophobicContact CG-CG2 4.47Å; V307-I309 HydrophobicContact CG1-CG2 3.94Å; V307-I309 PolarHBondContact O-N 3.45Å; V307-I309 VanDerWaalsContact O-N 3.08Å; V307-S314 PolarHBondContact O-OG 3.18Å; V307-S314 VanDerWaalsContact O-OG 3.12Å; V307-N391 HydrophobicContact CG1-CB 4.25Å; V307-N391 WeakPolarHBondContact CG1-OD1 3.16Å
308	T	97	Very high	97.6	Very high	15 Å²	15	32.1 Å²	32.1	9%	0.092	17%	0.165	C	C	.	.			trans	-81.4	88.6	-177.5	42.9	0	0	0	0	109.6	D279 R281 M306 A318	D279-T308 PolarHBondContact OD2-N 3.18Å; D279-T308 PolarHBondContact OD2-OG1 3.11Å; R281-T308 PolarHBondContact NH2-O 3.14Å; M306-T308 HydrophobicContact CB-CG2 4.4Å; M306-T308 PolarHBondContact O-N 3.05Å; T308-A318 HydrophobicContact CG2-CB 4.32Å
309	I	96.9	Very high	97.7	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.031	16%	0.162	C	C	.	.			trans	-74.3	157.8	175.7	65.9	175.8	0	0	0	111.7	V307 G311 G312 E388 N391 M393 I486	V307-I309 HydrophobicContact CG1-CG2 3.94Å; V307-I309 PolarHBondContact O-N 3.45Å; V307-I309 VanDerWaalsContact O-N 3.08Å; I309-G311 PolarHBondContact O-N 2.99Å; I309-G312 PolarHBondContact O-N 3.31Å; I309-G312 VanDerWaalsContact O-N 3.14Å; I309-E388 HydrophobicContact CD1-CG 3.98Å; I309-N391 HydrophobicContact CG2-CB 4.17Å; I309-M393 HydrophobicContact CD1-CB 4.28Å; I309-I486 HydrophobicContact CB-CG2 3.78Å; I309-I486 HydrophobicContact CD1-CG2 4.12Å; I309-I486 HydrophobicContact CG1-CG2 4.33Å; I309-I486 HydrophobicContact CG2-CG2 4.38Å
310	W	97.2	Very high	97.7	Very high	63 Å²	63	32.9 Å²	32.9	24%	0.239	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	127.8	173	-173	91.4	0	0	0	109.6	G312 L444 Y483 V487	W310-G312 PolarHBondContact O-N 3.26Å; W310-L444 HydrophobicContact CH2-CD1 3.86Å; W310-L444 HydrophobicContact CH2-CD2 4.05Å; W310-L444 HydrophobicContact CH2-CG 4.29Å; W310-L444 HydrophobicContact CZ2-CD1 4.44Å; W310-L444 HydrophobicContact CZ2-CD2 4.04Å; W310-Y483 HydrophobicContact CB-CD1 4.1Å; W310-Y483 HydrophobicContact CB-CE1 4.36Å; W310-Y483 HydrophobicContact CB-CG 4.28Å; W310-Y483 AromaticContact CD1-CE2 3.65Å; W310-Y483 AromaticContact CD1-CZ 3.65Å; W310-Y483 HydrophobicContact CD2-CD1 4.32Å; W310-Y483 AromaticContact CD2-CD2 3.37Å; W310-Y483 HydrophobicContact CD2-CD2 3.37Å; W310-Y483 AromaticContact CD2-CE2 3.77Å; W310-Y483 HydrophobicContact CD2-CE2 3.77Å; W310-Y483 AromaticContact CD2-CG 3.69Å; W310-Y483 HydrophobicContact CD2-CG 3.69Å; W310-Y483 AromaticContact CE2-CD2 3.47Å; W310-Y483 VanDerWaalsContact CE2-CD2 3.47Å; W310-Y483 AromaticContact CE2-CE2 3.5Å; W310-Y483 VanDerWaalsContact CE2-CE2 3.5Å; W310-Y483 AromaticContact CE3-CD2 3.74Å; W310-Y483 HydrophobicContact CE3-CD2 3.74Å; W310-Y483 AromaticContact CE3-CG 3.89Å; W310-Y483 HydrophobicContact CE3-CG 3.89Å; W310-Y483 AromaticContact CG-CD1 3.97Å; W310-Y483 HydrophobicContact CG-CD1 3.97Å; W310-Y483 AromaticContact CG-CD2 3.8Å; W310-Y483 HydrophobicContact CG-CD2 3.8Å; W310-Y483 HydrophobicContact CG-CE1 4.06Å; W310-Y483 AromaticContact CG-CE2 3.9Å; W310-Y483 HydrophobicContact CG-CE2 3.9Å; W310-Y483 AromaticContact CG-CG 3.84Å; W310-Y483 HydrophobicContact CG-CG 3.84Å; W310-Y483 HydrophobicContact CH2-CD2 4.31Å; W310-Y483 AromaticContact CZ2-CD2 3.95Å; W310-Y483 HydrophobicContact CZ2-CD2 3.95Å; W310-Y483 HydrophobicContact CZ2-CE2 4.11Å; W310-Y483 HydrophobicContact CZ3-CD2 4.2Å; W310-Y483 AromaticContact NE1-CD2 3.83Å; W310-Y483 AromaticContact NE1-CE2 3.38Å; W310-Y483 AromaticContact NE1-CZ 3.81Å; W310-V487 HydrophobicContact CE3-CG1 4.1Å; W310-V487 HydrophobicContact CE3-CG2 4.04Å; W310-V487 HydrophobicContact CZ3-CG2 3.94Å; W310-V487 WeakPolarHBondContact O-CG1 3.33Å
311	G	92.8	Very high	97.6	Very high	7 Å²	7	33.4 Å²	33.4	7%	0.072	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-6.4	-178.6	0	0	0	0	0	116.2	I309 L444	I309-G311 PolarHBondContact O-N 2.99Å; G311-L444 PolarHBondContact O-N 2.85Å
312	G	96.3	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.			trans	-65.6	151.1	-174.7	0	0	0	0	0	114.8	I309 W310 S314 L315 E388	I309-G312 PolarHBondContact O-N 3.31Å; I309-G312 VanDerWaalsContact O-N 3.14Å; W310-G312 PolarHBondContact O-N 3.26Å; G312-S314 PolarHBondContact O-N 3.15Å; G312-L315 PolarHBondContact O-N 3.41Å; G312-E388 VanDerWaalsContact C-OE2 3.28Å; G312-E388 VanDerWaalsContact CA-OE2 3.25Å; G312-E388 WeakPolarHBondContact CA-OE2 3.46Å
313	A	96.6	Very high	97.7	Very high	15 Å²	15	32 Å²	32	12%	0.124	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.6	171.3	0	0	0	0	0	112.8	L315 L316 K317 E388 P445	A313-L315 PolarHBondContact O-N 3.11Å; A313-L315 VanDerWaalsContact O-N 3.14Å; A313-L316 PolarHBondContact O-N 3.17Å; A313-L316 VanDerWaalsContact O-N 3.17Å; A313-K317 PolarHBondContact O-N 3.25Å; A313-K317 VanDerWaalsContact O-N 3.11Å; A313-E388 PolarHBondContact N-OE2 3.35Å; A313-P445 HydrophobicContact CB-CG 4.31Å
314	S	97.3	Very high	97.8	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-54.7	-25.7	171.3	53.8	0	0	0	0	114.1	V307 G312 A318 E388	V307-S314 PolarHBondContact O-OG 3.18Å; V307-S314 VanDerWaalsContact O-OG 3.12Å; G312-S314 PolarHBondContact O-N 3.15Å; S314-A318 WeakPolarHBondContact O-CB 3.42Å; S314-A318 PolarHBondContact O-N 3.24Å; S314-E388 WeakPolarHBondContact CB-OE1 3.45Å; S314-E388 PolarHBondContact N-OE2 3.04Å; S314-E388 VanDerWaalsContact OG-CD 3.3Å; S314-E388 PolarHBondContact OG-OE1 2.77Å; S314-E388 PolarHBondContact OG-OE2 3.2Å
315	L	98.4	Very high	97.8	Very high	34 Å²	34	29.9 Å²	29.9	18%	0.178	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-45.7	175.6	-178.7	60.7	0	0	0	112.5	V251 G312 A313 K317 A318 Y319 A446	V251-L315 HydrophobicContact CG1-CD1 4.17Å; G312-L315 PolarHBondContact O-N 3.41Å; A313-L315 PolarHBondContact O-N 3.11Å; A313-L315 VanDerWaalsContact O-N 3.14Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-A318 PolarHBondContact O-N 2.86Å; L315-Y319 HydrophobicContact CD1-CD2 4.44Å; L315-Y319 HydrophobicContact CD1-CE2 3.78Å; L315-Y319 HydrophobicContact CD2-CE2 4.31Å; L315-Y319 HydrophobicContact CG-CD2 4.3Å; L315-Y319 HydrophobicContact CG-CE2 3.74Å; L315-Y319 WeakPolarHBondContact O-CD2 3.4Å; L315-Y319 PolarHBondContact O-N 2.9Å; L315-Y319 VanDerWaalsContact O-N 3.08Å; L315-A446 HydrophobicContact CD2-CB 4.31Å; L315-A446 HydrophobicContact CG-CB 4.43Å
316	L	98.7	Very high	97.8	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-40.9	173.8	174.5	62.7	0	0	0	110.4	A313 A318 Y319 L320 P445 F449 F450	A313-L316 PolarHBondContact O-N 3.17Å; A313-L316 VanDerWaalsContact O-N 3.17Å; L316-A318 VanDerWaalsContact C-N 3.28Å; L316-A318 PolarHBondContact O-N 3.06Å; L316-Y319 PolarHBondContact O-N 2.92Å; L316-Y319 VanDerWaalsContact O-N 3.16Å; L316-L320 HydrophobicContact CD1-CD1 4.05Å; L316-L320 HydrophobicContact CD1-CD2 4.43Å; L316-L320 HydrophobicContact CD1-CG 3.93Å; L316-L320 HydrophobicContact CD2-CD1 4.41Å; L316-L320 HydrophobicContact CG-CD1 3.91Å; L316-L320 HydrophobicContact CG-CG 4.24Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 2.74Å; L316-P445 HydrophobicContact CB-CB 4.16Å; L316-P445 HydrophobicContact CB-CG 3.82Å; L316-P445 HydrophobicContact CD2-CB 3.91Å; L316-P445 HydrophobicContact CD2-CG 4.41Å; L316-F449 HydrophobicContact CD1-CB 4.17Å; L316-F449 HydrophobicContact CD1-CD1 3.59Å; L316-F449 HydrophobicContact CD1-CE1 4.1Å; L316-F449 HydrophobicContact CD1-CG 3.86Å; L316-F449 HydrophobicContact CD2-CB 3.83Å; L316-F449 HydrophobicContact CD2-CD1 4.19Å; L316-F449 HydrophobicContact CD2-CD2 3.69Å; L316-F449 HydrophobicContact CD2-CE2 4.3Å; L316-F449 HydrophobicContact CD2-CG 3.63Å; L316-F449 HydrophobicContact CG-CG 4.43Å; L316-F450 HydrophobicContact CD1-CE2 3.65Å; L316-F450 HydrophobicContact CD1-CZ 3.68Å
317	K	98.3	Very high	97.9	Very high	136 Å²	136	27 Å²	27	59%	0.591	13%	0.133	S	C	*	.	H	α-helix	trans	-58.5	-40.4	176.1	-163.9	179.9	-178.9	171.2	0	111.8	M306 A313 L315 H321	M306-K317 HydrophobicContact CE-CB 4.43Å; M306-K317 HydrophobicContact CE-CD 4.11Å; M306-K317 HydrophobicContact CE-CG 3.87Å; M306-K317 HydrophobicContact SD-CB 4.09Å; M306-K317 HydrophobicContact SD-CD 4.21Å; M306-K317 HydrophobicContact SD-CG 4.11Å; A313-K317 PolarHBondContact O-N 3.25Å; A313-K317 VanDerWaalsContact O-N 3.11Å; L315-K317 VanDerWaalsContact C-N 3.33Å; K317-H321 WeakPolarHBondContact O-CB 3.28Å; K317-H321 PolarHBondContact O-N 2.76Å
318	A	98.5	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-45.6	174.3	0	0	0	0	0	111.9	W304 M306 T308 S314 L315 L316 H321 S322	W304-A318 HydrophobicContact CH2-CB 3.99Å; W304-A318 VanDerWaalsContact CH2-O 3.32Å; W304-A318 WeakPolarHBondContact CH2-O 3.43Å; W304-A318 HydrophobicContact CZ3-CB 3.91Å; M306-A318 HydrophobicContact SD-CB 4.05Å; T308-A318 HydrophobicContact CG2-CB 4.32Å; S314-A318 WeakPolarHBondContact O-CB 3.42Å; S314-A318 PolarHBondContact O-N 3.24Å; L315-A318 PolarHBondContact O-N 2.86Å; L316-A318 VanDerWaalsContact C-N 3.28Å; L316-A318 PolarHBondContact O-N 3.06Å; A318-H321 PolarHBondContact O-N 3.39Å; A318-S322 WeakPolarHBondContact O-CB 3.48Å; A318-S322 PolarHBondContact O-N 3.31Å; A318-S322 PolarHBondContact O-OG 3.32Å
319	Y	98.9	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-47.2	176.3	-68.4	-46.1	0	0	0	112.6	V251 L315 L316 H321 S322 M323 F337 N339 F414 A446 F450	V251-Y319 HydrophobicContact CG2-CD1 4.35Å; V251-Y319 HydrophobicContact CG2-CE1 3.67Å; L315-Y319 HydrophobicContact CD1-CD2 4.44Å; L315-Y319 HydrophobicContact CD1-CE2 3.78Å; L315-Y319 HydrophobicContact CD2-CE2 4.31Å; L315-Y319 HydrophobicContact CG-CD2 4.3Å; L315-Y319 HydrophobicContact CG-CE2 3.74Å; L315-Y319 WeakPolarHBondContact O-CD2 3.4Å; L315-Y319 PolarHBondContact O-N 2.9Å; L315-Y319 VanDerWaalsContact O-N 3.08Å; L316-Y319 PolarHBondContact O-N 2.92Å; L316-Y319 VanDerWaalsContact O-N 3.16Å; Y319-H321 VanDerWaalsContact C-N 3.34Å; Y319-H321 PolarHBondContact O-N 2.77Å; Y319-S322 PolarHBondContact O-N 2.74Å; Y319-M323 WeakPolarHBondContact O-CB 3.41Å; Y319-M323 VanDerWaalsContact O-CG 3.22Å; Y319-M323 WeakPolarHBondContact O-CG 3.17Å; Y319-M323 PolarHBondContact O-N 3.34Å; Y319-F337 HydrophobicContact CD1-CE1 4.48Å; Y319-F337 HydrophobicContact CD1-CZ 4.12Å; Y319-N339 HydrophobicContact CE1-CB 3.74Å; Y319-N339 VanDerWaalsContact CZ-ND2 3.32Å; Y319-N339 PolarHBondContact OH-ND2 3.05Å; Y319-F414 HydrophobicContact CD2-CZ 4.4Å; Y319-A446 HydrophobicContact CD2-CB 4.12Å; Y319-A446 HydrophobicContact CE2-CB 3.92Å; Y319-F450 HydrophobicContact CD2-CE2 4.41Å
320	L	98.8	Very high	97.9	Very high	31 Å²	31	36.4 Å²	36.4	16%	0.162	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-38.7	179.4	-67.1	174.4	0	0	0	112.3	L316 M323 Q324 V424 I425 F449 F450	L316-L320 HydrophobicContact CD1-CD1 4.05Å; L316-L320 HydrophobicContact CD1-CD2 4.43Å; L316-L320 HydrophobicContact CD1-CG 3.93Å; L316-L320 HydrophobicContact CD2-CD1 4.41Å; L316-L320 HydrophobicContact CG-CD1 3.91Å; L316-L320 HydrophobicContact CG-CG 4.24Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 2.74Å; L320-M323 HydrophobicContact CD2-SD 4.45Å; L320-M323 PolarHBondContact O-N 3.43Å; L320-Q324 PolarHBondContact O-N 3.07Å; L320-V424 HydrophobicContact CD2-CG1 3.61Å; L320-I425 HydrophobicContact CB-CD1 4.28Å; L320-I425 HydrophobicContact CD2-CD1 3.94Å; L320-I425 VanDerWaalsContact O-CD1 3.31Å; L320-I425 WeakPolarHBondContact O-CD1 3.49Å; L320-F449 HydrophobicContact CD1-CZ 4.42Å; L320-F449 HydrophobicContact CD2-CE1 3.94Å; L320-F449 HydrophobicContact CD2-CZ 4.19Å; L320-F450 HydrophobicContact CD2-CE1 4.47Å
321	H	98.6	Very high	97.9	Very high	81 Å²	81	37.8 Å²	37.8	38%	0.375	20%	0.199	S	C	.	.	H	α-helix	trans	-71.3	-39.6	176.9	-150.6	-101.3	0	0	0	111.7	W304 M306 K317 A318 Y319 M323 Q324 D325	W304-H321 AromaticContact CD1-CE1 3.54Å; W304-H321 AromaticContact CD1-ND1 3.31Å; W304-H321 VanDerWaalsContact CD1-ND1 3.31Å; W304-H321 AromaticContact CD2-ND1 3.53Å; W304-H321 AromaticContact CE2-ND1 3.19Å; W304-H321 AromaticContact CG-CE1 3.94Å; W304-H321 AromaticContact CG-ND1 3.65Å; W304-H321 HydrophobicContact CH2-CB 4.09Å; W304-H321 HydrophobicContact CZ2-CB 3.89Å; W304-H321 AromaticContact CZ2-ND1 3.78Å; W304-H321 AromaticContact NE1-CE1 3.7Å; W304-H321 AromaticContact NE1-ND1 3.03Å; W304-H321 PolarHBondContact NE1-ND1 3.09Å; M306-H321 HydrophobicContact CE-CB 4.38Å; K317-H321 WeakPolarHBondContact O-CB 3.28Å; K317-H321 PolarHBondContact O-N 2.76Å; A318-H321 PolarHBondContact O-N 3.39Å; Y319-H321 VanDerWaalsContact C-N 3.34Å; Y319-H321 PolarHBondContact O-N 2.77Å; H321-M323 VanDerWaalsContact C-N 3.3Å; H321-M323 PolarHBondContact O-N 2.81Å; H321-Q324 PolarHBondContact O-N 2.82Å; H321-D325 VanDerWaalsContact O-CG 3.3Å; H321-D325 PolarHBondContact O-N 3.31Å
322	S	98.9	Very high	98.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-37.5	171.6	-64.4	0	0	0	0	112.6	W304 A318 Y319 L326	W304-S322 WeakPolarHBondContact CH2-OG 3.43Å; W304-S322 WeakPolarHBondContact CZ2-OG 3.49Å; A318-S322 WeakPolarHBondContact O-CB 3.48Å; A318-S322 PolarHBondContact O-N 3.31Å; A318-S322 PolarHBondContact O-OG 3.32Å; Y319-S322 PolarHBondContact O-N 2.74Å; S322-L326 VanDerWaalsContact O-CB 3.29Å; S322-L326 WeakPolarHBondContact O-CB 3.35Å; S322-L326 WeakPolarHBondContact O-CG 3.37Å; S322-L326 PolarHBondContact O-N 2.86Å
323	M	98.9	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-45.5	175	-75.2	171.7	179.8	0	0	111.5	Y319 L320 H321 D325 L326 L327 F337 F414 L416 V421 I425 F450	Y319-M323 WeakPolarHBondContact O-CB 3.41Å; Y319-M323 VanDerWaalsContact O-CG 3.22Å; Y319-M323 WeakPolarHBondContact O-CG 3.17Å; Y319-M323 PolarHBondContact O-N 3.34Å; L320-M323 HydrophobicContact CD2-SD 4.45Å; L320-M323 PolarHBondContact O-N 3.43Å; H321-M323 VanDerWaalsContact C-N 3.3Å; H321-M323 PolarHBondContact O-N 2.81Å; M323-D325 PolarHBondContact O-N 2.77Å; M323-L326 PolarHBondContact O-N 3.07Å; M323-L327 WeakPolarHBondContact O-CG 3.34Å; M323-L327 PolarHBondContact O-N 3.34Å; M323-F337 HydrophobicContact CE-CD1 3.82Å; M323-F337 HydrophobicContact CE-CD2 3.99Å; M323-F337 HydrophobicContact CE-CE1 3.64Å; M323-F337 HydrophobicContact CE-CE2 3.77Å; M323-F337 HydrophobicContact CE-CG 4.01Å; M323-F337 HydrophobicContact CE-CZ 3.6Å; M323-F337 HydrophobicContact CG-CD2 3.72Å; M323-F337 HydrophobicContact CG-CE2 3.39Å; M323-F337 HydrophobicContact CG-CZ 4.07Å; M323-F337 HydrophobicContact SD-CE2 4.47Å; M323-F414 HydrophobicContact CE-CE2 4.3Å; M323-L416 HydrophobicContact CE-CD1 3.97Å; M323-V421 HydrophobicContact CB-CG1 3.58Å; M323-V421 HydrophobicContact CE-CG2 4.18Å; M323-V421 HydrophobicContact CG-CG1 3.56Å; M323-V421 HydrophobicContact CG-CG2 4.46Å; M323-V421 HydrophobicContact SD-CG1 3.92Å; M323-V421 HydrophobicContact SD-CG2 4.27Å; M323-I425 HydrophobicContact CB-CD1 3.77Å; M323-I425 HydrophobicContact CB-CG1 3.8Å; M323-F450 HydrophobicContact CE-CE1 3.68Å; M323-F450 HydrophobicContact CE-CZ 3.8Å; M323-F450 HydrophobicContact SD-CE1 3.94Å; M323-F450 HydrophobicContact SD-CZ 4.22Å
324	Q	98.8	Very high	98.4	Very high	80 Å²	80	41.4 Å²	41.4	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-58.8	-46.1	174.5	179.6	66.1	77.8	0	0	112	L320 H321 L327 S328 I425	L320-Q324 PolarHBondContact O-N 3.07Å; H321-Q324 PolarHBondContact O-N 2.82Å; Q324-L327 PolarHBondContact O-N 3.2Å; Q324-S328 PolarHBondContact NE2-OG 3.1Å; Q324-S328 WeakPolarHBondContact O-CB 3.48Å; Q324-S328 PolarHBondContact O-N 3.45Å; Q324-S328 PolarHBondContact O-OG 3.08Å; Q324-I425 HydrophobicContact CB-CG2 4.32Å
325	D	98.8	Very high	98.4	Very high	31 Å²	31	42.4 Å²	42.4	17%	0.166	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-50.9	175.6	-71.9	-17	0	0	0	111	Y275 W304 H321 M323 L327 S328 M329	Y275-D325 HydrophobicContact CE1-CB 3.62Å; Y275-D325 VanDerWaalsContact CE1-OD2 3.31Å; Y275-D325 WeakPolarHBondContact CE1-OD2 3.5Å; Y275-D325 PolarHBondContact OH-OD2 3.03Å; W304-D325 PolarHBondContact NE1-OD2 3.3Å; H321-D325 VanDerWaalsContact O-CG 3.3Å; H321-D325 PolarHBondContact O-N 3.31Å; M323-D325 PolarHBondContact O-N 2.77Å; D325-L327 VanDerWaalsContact C-N 3.3Å; D325-L327 PolarHBondContact O-N 3.22Å; D325-S328 CarbonylContact O-C 3.54Å; D325-S328 WeakPolarHBondContact O-CA 3.34Å; D325-S328 WeakPolarHBondContact O-CB 3.07Å; D325-S328 PolarHBondContact O-N 3.32Å; D325-M329 HydrophobicContact CB-CE 4.27Å; D325-M329 WeakPolarHBondContact O-CG 3.5Å; D325-M329 PolarHBondContact O-N 3.29Å
326	L	98.9	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-30.4	-178.6	-78	171.9	0	0	0	113.8	A247 V249 Y275 S322 M323 S328 W332 W334 F337	A247-L326 HydrophobicContact CB-CD1 3.96Å; A247-L326 HydrophobicContact CB-CD2 4.1Å; V249-L326 HydrophobicContact CG2-CD1 3.63Å; Y275-L326 HydrophobicContact CD1-CD2 4.43Å; Y275-L326 HydrophobicContact CD1-CG 4.17Å; S322-L326 VanDerWaalsContact O-CB 3.29Å; S322-L326 WeakPolarHBondContact O-CB 3.35Å; S322-L326 WeakPolarHBondContact O-CG 3.37Å; S322-L326 PolarHBondContact O-N 2.86Å; M323-L326 PolarHBondContact O-N 3.07Å; L326-S328 VanDerWaalsContact C-N 3.34Å; L326-W332 HydrophobicContact CD2-CE3 3.66Å; L326-W332 HydrophobicContact CD2-CZ3 3.93Å; L326-W334 HydrophobicContact CB-CZ2 3.82Å; L326-W334 PolarHBondContact O-NE1 3.3Å; L326-F337 HydrophobicContact CD1-CD2 3.87Å; L326-F337 HydrophobicContact CD1-CE2 4Å
327	L	98.8	Very high	98.5	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-74.4	-27.1	172.2	-68.5	178	0	0	0	112.6	M323 Q324 D325 W334 R418 V421 E422 I425	M323-L327 WeakPolarHBondContact O-CG 3.34Å; M323-L327 PolarHBondContact O-N 3.34Å; Q324-L327 PolarHBondContact O-N 3.2Å; D325-L327 VanDerWaalsContact C-N 3.3Å; D325-L327 PolarHBondContact O-N 3.22Å; L327-W334 HydrophobicContact CD2-CH2 3.98Å; L327-W334 HydrophobicContact CD2-CZ2 3.55Å; L327-W334 HydrophobicContact CG-CZ2 4.14Å; L327-R418 HydrophobicContact CD2-CG 4.15Å; L327-V421 HydrophobicContact CD1-CG1 4.22Å; L327-V421 HydrophobicContact CG-CG1 4.41Å; L327-E422 HydrophobicContact CD1-CB 4.49Å; L327-E422 HydrophobicContact CD1-CG 3.85Å; L327-E422 HydrophobicContact CD2-CG 3.37Å; L327-E422 HydrophobicContact CG-CG 4.25Å; L327-I425 HydrophobicContact CD1-CB 3.96Å; L327-I425 HydrophobicContact CD1-CG1 4.13Å; L327-I425 HydrophobicContact CD1-CG2 4.18Å
328	S	98.4	Very high	98.5	Very high	73 Å²	73	33.9 Å²	33.9	51%	0.51	18%	0.179	S	C	.	.	H	α-helix	trans	-85	-20.1	-179	-48.8	0	0	0	0	113	Q324 D325 L326 L330	Q324-S328 PolarHBondContact NE2-OG 3.1Å; Q324-S328 WeakPolarHBondContact O-CB 3.48Å; Q324-S328 PolarHBondContact O-N 3.45Å; Q324-S328 PolarHBondContact O-OG 3.08Å; D325-S328 CarbonylContact O-C 3.54Å; D325-S328 WeakPolarHBondContact O-CA 3.34Å; D325-S328 WeakPolarHBondContact O-CB 3.07Å; D325-S328 PolarHBondContact O-N 3.32Å; L326-S328 VanDerWaalsContact C-N 3.34Å; S328-L330 PolarHBondContact O-N 2.8Å
329	M	98.1	Very high	98.5	Very high	31 Å²	31	33.9 Å²	33.9	15%	0.153	18%	0.179	C	C	.	.			trans	-76.1	81.5	173.5	-68.8	178.5	-166.9	0	0	110.9	Y275 R300 D325 D331 W332	Y275-M329 HydrophobicContact CD2-CE 4.44Å; Y275-M329 HydrophobicContact CE1-CE 4.41Å; Y275-M329 HydrophobicContact CE2-CE 3.88Å; R300-M329 PolarHBondContact NH1-SD 2.79Å; D325-M329 HydrophobicContact CB-CE 4.27Å; D325-M329 WeakPolarHBondContact O-CG 3.5Å; D325-M329 PolarHBondContact O-N 3.29Å; M329-D331 PolarHBondContact O-N 3.24Å; M329-D331 VanDerWaalsContact O-N 3.1Å; M329-W332 HydrophobicContact CB-CB 4.02Å; M329-W332 HydrophobicContact CB-CG 4.3Å; M329-W332 PolarHBondContact O-N 2.3Å; M329-W332 HydrophobicContact SD-CD2 4Å; M329-W332 HydrophobicContact SD-CE3 3.66Å; M329-W332 HydrophobicContact SD-CZ3 4.07Å
330	L	96.7	Very high	98.5	Very high	146 Å²	146	33.9 Å²	33.9	76%	0.764	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17	-178.7	-57.3	-178.2	0	0	0	114.3	S328 N333	S328-L330 PolarHBondContact O-N 2.8Å; L330-N333 PolarHBondContact O-ND2 2.98Å
331	D	97.6	Very high	98.5	Very high	92 Å²	92	33 Å²	33	49%	0.492	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.8	173	71.7	-51.6	0	0	0	112.9	R300 M329	R300-D331 IonicContact CZ-OD1 2.8Å; R300-D331 IonicContact CZ-OD2 3.18Å; R300-D331 IonicContact NH1-OD1 3.51Å; R300-D331 PolarHBondContact NH1-OD1 2.97Å; R300-D331 IonicContact NH1-OD2 2.76Å; R300-D331 PolarHBondContact NH1-OD2 3.25Å; R300-D331 IonicContact NH2-OD1 3.3Å; R300-D331 IonicContact NH2-OD2 3.5Å; R300-D331 PolarHBondContact NH2-OD2 2.9Å; M329-D331 PolarHBondContact O-N 3.24Å; M329-D331 VanDerWaalsContact O-N 3.1Å
332	W	98.3	Very high	98.5	Very high	6 Å²	6	29.7 Å²	29.7	2%	0.023	16%	0.162	C	C	.	.			trans	-100.9	90.7	-178.7	-75.8	14.7	0	0	0	110.8	F273 N298 R300 L326 M329 W334	F273-W332 HydrophobicContact CB-CD2 3.85Å; F273-W332 HydrophobicContact CB-CE3 3.58Å; F273-W332 HydrophobicContact CB-CG 4.47Å; F273-W332 HydrophobicContact CB-CH2 4.11Å; F273-W332 HydrophobicContact CB-CZ2 4.38Å; F273-W332 HydrophobicContact CB-CZ3 3.73Å; F273-W332 HydrophobicContact CD1-CB 3.9Å; F273-W332 AromaticContact CD1-CD1 3.5Å; F273-W332 VanDerWaalsContact CD1-CD1 3.5Å; F273-W332 AromaticContact CD1-CD2 3.47Å; F273-W332 HydrophobicContact CD1-CD2 3.47Å; F273-W332 VanDerWaalsContact CD1-CD2 3.47Å; F273-W332 AromaticContact CD1-CE2 3.62Å; F273-W332 HydrophobicContact CD1-CE3 4.14Å; F273-W332 AromaticContact CD1-CG 3.37Å; F273-W332 HydrophobicContact CD1-CG 3.37Å; F273-W332 HydrophobicContact CD1-CZ2 4.33Å; F273-W332 AromaticContact CD1-NE1 3.64Å; F273-W332 HydrophobicContact CE1-CB 3.95Å; F273-W332 AromaticContact CE1-CD1 3.56Å; F273-W332 HydrophobicContact CE1-CD2 4.27Å; F273-W332 AromaticContact CE1-CG 3.68Å; F273-W332 HydrophobicContact CE1-CG 3.68Å; F273-W332 HydrophobicContact CG-CB 4.19Å; F273-W332 AromaticContact CG-CD2 3.85Å; F273-W332 HydrophobicContact CG-CD2 3.85Å; F273-W332 HydrophobicContact CG-CE3 4.04Å; F273-W332 AromaticContact CG-CG 3.96Å; F273-W332 HydrophobicContact CG-CG 3.96Å; F273-W332 HydrophobicContact CZ-CB 4.27Å; F273-W332 HydrophobicContact CZ-CG 4.48Å; N298-W332 WeakPolarHBondContact O-CH2 3.32Å; N298-W332 WeakPolarHBondContact O-CZ2 3.33Å; R300-W332 HydrophobicContact CB-CH2 3.69Å; R300-W332 HydrophobicContact CB-CZ2 4.18Å; R300-W332 HydrophobicContact CB-CZ3 4.44Å; R300-W332 HydrophobicContact CG-CH2 3.6Å; R300-W332 HydrophobicContact CG-CZ2 3.54Å; L326-W332 HydrophobicContact CD2-CE3 3.66Å; L326-W332 HydrophobicContact CD2-CZ3 3.93Å; M329-W332 HydrophobicContact CB-CB 4.02Å; M329-W332 HydrophobicContact CB-CG 4.3Å; M329-W332 PolarHBondContact O-N 2.3Å; M329-W332 HydrophobicContact SD-CD2 4Å; M329-W332 HydrophobicContact SD-CE3 3.66Å; M329-W332 HydrophobicContact SD-CZ3 4.07Å; W332-W334 PolarHBondContact O-N 3.1Å; W332-W334 VanDerWaalsContact O-N 3.14Å
333	N	97.3	Very high	98.5	Very high	87 Å²	87	30.9 Å²	30.9	47%	0.465	17%	0.169	S	C	.	.			trans	-89.2	68	-176.5	-71.4	-82.4	0	0	0	112	R245 L330	R245-N333 PolarHBondContact NE-O 3.49Å; R245-N333 VanDerWaalsContact NH2-CB 3.29Å; R245-N333 PolarHBondContact NH2-O 2.77Å; L330-N333 PolarHBondContact O-ND2 2.98Å
334	W	98.6	Very high	98.4	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.015	17%	0.169	C	C	.	.			trans	-87	152.7	-179.4	57.8	-89	0	0	0	113.8	A247 F273 L326 L327 W332 F337 R418 V421	A247-W334 HydrophobicContact CB-CB 3.85Å; A247-W334 HydrophobicContact CB-CD2 3.9Å; A247-W334 HydrophobicContact CB-CE3 4.24Å; A247-W334 HydrophobicContact CB-CG 3.7Å; F273-W334 HydrophobicContact CD2-CB 3.82Å; F273-W334 HydrophobicContact CE2-CB 3.99Å; L326-W334 HydrophobicContact CB-CZ2 3.82Å; L326-W334 PolarHBondContact O-NE1 3.3Å; L327-W334 HydrophobicContact CD2-CH2 3.98Å; L327-W334 HydrophobicContact CD2-CZ2 3.55Å; L327-W334 HydrophobicContact CG-CZ2 4.14Å; W332-W334 PolarHBondContact O-N 3.1Å; W332-W334 VanDerWaalsContact O-N 3.14Å; W334-F337 HydrophobicContact CZ3-CB 4.09Å; W334-R418 HydrophobicContact CE3-CB 3.9Å; W334-R418 HydrophobicContact CE3-CG 4.3Å; W334-R418 HydrophobicContact CH2-CB 4.02Å; W334-R418 HydrophobicContact CH2-CG 3.89Å; W334-R418 HydrophobicContact CZ2-CG 4.27Å; W334-R418 HydrophobicContact CZ3-CB 3.54Å; W334-R418 HydrophobicContact CZ3-CG 3.92Å; W334-R418 WeakPolarHBondContact O-CD 3.2Å; W334-V421 HydrophobicContact CH2-CB 3.98Å; W334-V421 HydrophobicContact CH2-CG1 3.89Å; W334-V421 HydrophobicContact CH2-CG2 4.28Å
335	D	98.8	Very high	98.4	Very high	33 Å²	33	27 Å²	27	18%	0.176	15%	0.152	C	C	.	.	S	Bend	trans	-103.5	-37	177.7	-59.6	-92.3	0	0	0	112.8	V244 R245 R361 R418	V244-D335 WeakPolarHBondContact CA-OD2 3.46Å; V244-D335 HydrophobicContact CB-CB 3.98Å; V244-D335 HydrophobicContact CG1-CB 3.98Å; R245-D335 PolarHBondContact N-OD2 3.38Å; R245-D335 PolarHBondContact O-N 3.48Å; D335-R361 VanDerWaalsContact CG-NH2 3.27Å; D335-R361 IonicContact OD1-CZ 2.92Å; D335-R361 IonicContact OD1-NE 3.55Å; D335-R361 PolarHBondContact OD1-NE 2.75Å; D335-R361 IonicContact OD1-NH2 3.49Å; D335-R361 PolarHBondContact OD1-NH2 2.82Å; D335-R361 IonicContact OD2-NH2 2.7Å; D335-R361 PolarHBondContact OD2-NH2 2.84Å; D335-R418 WeakPolarHBondContact O-CB 3.44Å; D335-R418 PolarHBondContact O-N 2.97Å
336	F	98.9	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.5	-176.3	-84.9	-82.2	0	0	0	112.9	V244 R245 A247 L357 R361 Q363 F365 L416 T417	V244-F336 HydrophobicContact CB-CD2 4.27Å; V244-F336 HydrophobicContact CG1-CD2 4.17Å; V244-F336 HydrophobicContact CG1-CE2 4.13Å; V244-F336 HydrophobicContact CG2-CD2 4.36Å; R245-F336 PolarHBondContact O-N 3.22Å; A247-F336 PolarHBondContact N-O 2.76Å; F336-L357 HydrophobicContact CD1-CD2 4.4Å; F336-L357 HydrophobicContact CD2-CB 4.1Å; F336-L357 HydrophobicContact CD2-CD1 4.23Å; F336-L357 HydrophobicContact CD2-CD2 4.49Å; F336-L357 HydrophobicContact CE1-CD2 4.1Å; F336-L357 HydrophobicContact CE2-CB 3.85Å; F336-L357 HydrophobicContact CE2-CD2 4.19Å; F336-L357 HydrophobicContact CE2-CG 4.44Å; F336-L357 WeakPolarHBondContact CE2-O 3.5Å; F336-L357 HydrophobicContact CG-CD1 4.29Å; F336-L357 HydrophobicContact CZ-CB 4.43Å; F336-L357 HydrophobicContact CZ-CD2 3.99Å; F336-R361 HydrophobicContact CE2-CG 4.44Å; F336-Q363 WeakPolarHBondContact CE1-O 3.42Å; F336-F365 HydrophobicContact CE1-CD2 4.27Å; F336-F365 HydrophobicContact CE1-CE2 4.22Å; F336-F365 HydrophobicContact CZ-CE2 4.37Å; F336-L416 CarbonylContact C-O 3.58Å; F336-L416 WeakPolarHBondContact CA-O 3.34Å; F336-T417 HydrophobicContact CE1-CG2 3.89Å; F336-T417 HydrophobicContact CZ-CG2 4.17Å
337	F	98.9	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.8	165.2	-178.9	-74.9	0	0	0	109.3	V249 Y319 M323 L326 W334 N339 F414 S415 L416 V421	V249-F337 HydrophobicContact CB-CE1 4.4Å; V249-F337 HydrophobicContact CB-CE2 4.13Å; V249-F337 HydrophobicContact CB-CZ 3.83Å; V249-F337 HydrophobicContact CG1-CZ 4.25Å; V249-F337 HydrophobicContact CG2-CD2 3.95Å; V249-F337 HydrophobicContact CG2-CE1 4.38Å; V249-F337 HydrophobicContact CG2-CE2 3.36Å; V249-F337 HydrophobicContact CG2-CZ 3.6Å; Y319-F337 HydrophobicContact CD1-CE1 4.48Å; Y319-F337 HydrophobicContact CD1-CZ 4.12Å; M323-F337 HydrophobicContact CE-CD1 3.82Å; M323-F337 HydrophobicContact CE-CD2 3.99Å; M323-F337 HydrophobicContact CE-CE1 3.64Å; M323-F337 HydrophobicContact CE-CE2 3.77Å; M323-F337 HydrophobicContact CE-CG 4.01Å; M323-F337 HydrophobicContact CE-CZ 3.6Å; M323-F337 HydrophobicContact CG-CD2 3.72Å; M323-F337 HydrophobicContact CG-CE2 3.39Å; M323-F337 HydrophobicContact CG-CZ 4.07Å; M323-F337 HydrophobicContact SD-CE2 4.47Å; L326-F337 HydrophobicContact CD1-CD2 3.87Å; L326-F337 HydrophobicContact CD1-CE2 4Å; W334-F337 HydrophobicContact CZ3-CB 4.09Å; F337-N339 HydrophobicContact CE1-CB 4.18Å; F337-F414 HydrophobicContact CD1-CD2 4.46Å; F337-F414 AromaticContact CD1-CE2 3.92Å; F337-F414 HydrophobicContact CD1-CE2 3.92Å; F337-F414 AromaticContact CE1-CE2 3.71Å; F337-F414 HydrophobicContact CE1-CE2 3.71Å; F337-F414 HydrophobicContact CE1-CZ 4.48Å; F337-S415 WeakPolarHBondContact O-CA 3.37Å; F337-L416 PolarHBondContact N-O 3.39Å; F337-L416 PolarHBondContact O-N 3.12Å; F337-V421 HydrophobicContact CB-CG2 4.14Å
338	I	98.9	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.1	174.7	-58.1	-171.2	0	0	0	109.9	V246 A247 F248 V249 L357 F514	V246-I338 HydrophobicContact CG1-CB 4.04Å; V246-I338 HydrophobicContact CG1-CD1 3.69Å; V246-I338 HydrophobicContact CG1-CG1 3.71Å; V246-I338 HydrophobicContact CG2-CD1 4.45Å; A247-I338 PolarHBondContact O-N 2.74Å; F248-I338 CarbonylContact C-O 3.5Å; F248-I338 WeakPolarHBondContact CA-O 3.17Å; F248-I338 HydrophobicContact CD1-CB 4.07Å; F248-I338 HydrophobicContact CD1-CG2 4.21Å; F248-I338 HydrophobicContact CE1-CB 4.23Å; F248-I338 HydrophobicContact CE1-CD1 4.33Å; F248-I338 HydrophobicContact CE1-CG2 4.22Å; V249-I338 PolarHBondContact N-O 3.25Å; I338-L357 HydrophobicContact CD1-CD1 3.95Å; I338-F514 HydrophobicContact CG2-CE2 4.34Å
339	N	98.8	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.5	174.9	63.9	-18.3	0	0	0	112.9	V249 Y319 F337 D412 W413 F414 R469	V249-N339 WeakPolarHBondContact O-CA 3.43Å; Y319-N339 HydrophobicContact CE1-CB 3.74Å; Y319-N339 VanDerWaalsContact CZ-ND2 3.32Å; Y319-N339 PolarHBondContact OH-ND2 3.05Å; F337-N339 HydrophobicContact CE1-CB 4.18Å; N339-D412 PolarHBondContact ND2-O 3.31Å; N339-W413 HydrophobicContact CB-CE3 4.34Å; N339-W413 HydrophobicContact CB-CZ3 4.18Å; N339-F414 PolarHBondContact OD1-N 2.86Å; N339-F414 PolarHBondContact OD1-O 3.49Å; N339-R469 VanDerWaalsContact O-CZ 3.28Å; N339-R469 PolarHBondContact O-NH1 3.34Å; N339-R469 PolarHBondContact O-NH2 2.92Å; N339-R469 PolarHBondContact OD1-NH2 3.29Å
340	L	98.9	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.3	172.8	-61.3	169.6	0	0	0	110.4	F248 V249 L250 V251 I267 D344 W413 F514	F248-L340 HydrophobicContact CD1-CD1 3.79Å; F248-L340 HydrophobicContact CE1-CD1 4.2Å; V249-L340 PolarHBondContact O-N 2.98Å; L250-L340 WeakPolarHBondContact CA-O 3.18Å; L250-L340 HydrophobicContact CD2-CB 3.74Å; L250-L340 HydrophobicContact CD2-CD1 3.98Å; L250-L340 HydrophobicContact CD2-CG 4.36Å; V251-L340 PolarHBondContact N-O 3.45Å; I267-L340 HydrophobicContact CD1-CD1 3.71Å; L340-D344 HydrophobicContact CB-CB 4.27Å; L340-D344 HydrophobicContact CD2-CB 3.83Å; L340-W413 VanDerWaalsContact C-CZ3 3.47Å; L340-F514 HydrophobicContact CD1-CD1 4.32Å; L340-F514 HydrophobicContact CD1-CE1 3.98Å; L340-F514 HydrophobicContact CD2-CB 4.3Å; L340-F514 HydrophobicContact CD2-CD1 3.65Å; L340-F514 HydrophobicContact CD2-CD2 4.33Å; L340-F514 HydrophobicContact CD2-CE1 4.06Å; L340-F514 HydrophobicContact CD2-CG 3.82Å
341	S	98.6	Very high	97.8	Very high	12 Å²	12	24.7 Å²	24.7	8%	0.084	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	167.3	165.1	75.2	0	0	0	0	110.9	L263 T343 D344 R516	L263-S341 WeakPolarHBondContact CD2-O 3.45Å; S341-T343 PolarHBondContact O-N 2.93Å; S341-T343 PolarHBondContact OG-N 3.09Å; S341-T343 VanDerWaalsContact OG-N 3.15Å; S341-T343 PolarHBondContact OG-OG1 2.85Å; S341-D344 WeakPolarHBondContact CB-OD2 3.2Å; S341-D344 PolarHBondContact N-OD2 2.61Å; S341-D344 PolarHBondContact O-N 3.1Å; S341-D344 PolarHBondContact OG-N 3.18Å; S341-D344 PolarHBondContact OG-OD2 2.89Å; S341-R516 PolarHBondContact OG-NH2 3.02Å
342	A	98.2	Very high	97.7	Very high	11 Å²	11	21.9 Å²	21.9	9%	0.091	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-3.2	169.6	0	0	0	0	0	114.3	V252 L260	V252-A342 HydrophobicContact CB-CB 4.17Å; V252-A342 HydrophobicContact CG1-CB 3.88Å; L260-A342 HydrophobicContact CB-CB 4.4Å; L260-A342 HydrophobicContact CD1-CB 4.26Å
343	T	98.4	Very high	97.6	Very high	26 Å²	26	22 Å²	22	16%	0.16	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	8.4	177.2	64	0	0	0	0	113.3	S341 K517 F518 E519	S341-T343 PolarHBondContact O-N 2.93Å; S341-T343 PolarHBondContact OG-N 3.09Å; S341-T343 VanDerWaalsContact OG-N 3.15Å; S341-T343 PolarHBondContact OG-OG1 2.85Å; T343-K517 CarbonylContact O-C 3.6Å; T343-K517 VanDerWaalsContact O-CA 3.3Å; T343-K517 WeakPolarHBondContact O-CA 3.47Å; T343-K517 VanDerWaalsContact OG1-CE 3.28Å; T343-K517 WeakPolarHBondContact OG1-CE 3.22Å; T343-F518 WeakPolarHBondContact CA-O 3.2Å; T343-F518 VanDerWaalsContact CB-O 3.24Å; T343-F518 WeakPolarHBondContact CB-O 3.47Å; T343-F518 WeakPolarHBondContact CG2-O 3.34Å; T343-F518 PolarHBondContact O-N 2.93Å; T343-E519 HydrophobicContact CG2-CG 3.96Å
344	D	98.8	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	156.5	166.9	-70.4	-115.9	0	0	0	109.6	L263 L340 S341 R469 A515 R516	L263-D344 WeakPolarHBondContact CD1-O 3.4Å; L340-D344 HydrophobicContact CB-CB 4.27Å; L340-D344 HydrophobicContact CD2-CB 3.83Å; S341-D344 WeakPolarHBondContact CB-OD2 3.2Å; S341-D344 PolarHBondContact N-OD2 2.61Å; S341-D344 PolarHBondContact O-N 3.1Å; S341-D344 PolarHBondContact OG-N 3.18Å; S341-D344 PolarHBondContact OG-OD2 2.89Å; D344-R469 IonicContact OD1-NH1 2.7Å; D344-A515 CarbonylContact C-O 3.47Å; D344-A515 WeakPolarHBondContact CA-O 3.28Å; D344-R516 HydrophobicContact CB-CB 4.49Å; D344-R516 VanDerWaalsContact OD1-CD 3.32Å; D344-R516 WeakPolarHBondContact OD1-CD 3.39Å; D344-R516 IonicContact OD1-NE 3.27Å; D344-R516 PolarHBondContact OD1-NE 3.13Å; D344-R516 IonicContact OD2-CZ 3.16Å; D344-R516 IonicContact OD2-NE 3.76Å; D344-R516 PolarHBondContact OD2-NE 2.83Å; D344-R516 IonicContact OD2-NH2 2.71Å
345	F	98.5	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.6	170.7	-150.1	-102.2	0	0	0	110.5	R262 L263 A266 F514 A515 F518 I527 L530 D531	R262-F345 HydrophobicContact CG-CE2 4.29Å; L263-F345 HydrophobicContact CD1-CD2 4.26Å; A266-F345 HydrophobicContact CB-CE2 4.35Å; A266-F345 HydrophobicContact CB-CZ 3.97Å; F345-F514 CarbonylContact O-C 3.1Å; F345-F514 WeakPolarHBondContact O-CA 3.36Å; F345-A515 PolarHBondContact N-O 3.36Å; F345-A515 PolarHBondContact O-N 2.9Å; F345-F518 HydrophobicContact CB-CD2 3.55Å; F345-F518 HydrophobicContact CB-CE2 3.58Å; F345-F518 HydrophobicContact CB-CG 4.26Å; F345-F518 HydrophobicContact CB-CZ 4.31Å; F345-I527 HydrophobicContact CD2-CG2 4.11Å; F345-I527 HydrophobicContact CE1-CG2 4.31Å; F345-I527 HydrophobicContact CE2-CG2 3.83Å; F345-I527 HydrophobicContact CG-CG2 4.48Å; F345-I527 HydrophobicContact CZ-CG2 3.93Å; F345-L530 HydrophobicContact CD1-CB 4.4Å; F345-L530 HydrophobicContact CD1-CD2 3.89Å; F345-L530 HydrophobicContact CD1-CG 4.01Å; F345-L530 HydrophobicContact CE1-CG 4.45Å; F345-D531 HydrophobicContact CE1-CB 4.1Å; F345-D531 HydrophobicContact CZ-CB 4.07Å
346	P	98	Very high	97.2	Very high	4 Å²	4	17 Å²	17	3%	0.026	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	147.6	175.8	24.8	-34.7	0	0	0	112.4	A266 I267 F513 F514 L530 L534	A266-P346 HydrophobicContact CB-CG 3.93Å; I267-P346 HydrophobicContact CG2-CB 4.4Å; I267-P346 HydrophobicContact CG2-CG 3.99Å; P346-F513 CarbonylContact C-O 3.46Å; P346-F513 WeakPolarHBondContact CA-O 3.41Å; P346-F514 HydrophobicContact CB-CD1 4.18Å; P346-F514 HydrophobicContact CB-CE1 4.1Å; P346-L530 WeakPolarHBondContact O-CD2 3.35Å; P346-L534 HydrophobicContact CB-CD1 4.16Å; P346-L534 HydrophobicContact CG-CD1 4.22Å; P346-L534 WeakPolarHBondContact O-CD1 3.5Å
347	T	96.2	Very high	97.1	Very high	8 Å²	8	17 Å²	17	5%	0.049	9%	0.087	C	C	.	.	S	Bend	trans	-115.2	-2.1	175	56.8	0	0	0	0	113.7	I505 T512 F513 F514 A515 L530	T347-I505 HydrophobicContact CG2-CD1 4.13Å; T347-I505 HydrophobicContact CG2-CG2 3.55Å; T347-T512 PolarHBondContact OG1-O 3.46Å; T347-T512 VanDerWaalsContact OG1-O 3.06Å; T347-F513 PolarHBondContact N-O 2.91Å; T347-F513 WeakPolarHBondContact OG1-CA 3.24Å; T347-F513 PolarHBondContact OG1-O 3.26Å; T347-F514 PolarHBondContact OG1-N 3.12Å; T347-A515 HydrophobicContact CG2-CB 3.39Å; T347-L530 HydrophobicContact CG2-CD2 4.42Å
348	R	95.3	Very high	96.9	Very high	115 Å²	115	18 Å²	18	43%	0.434	9%	0.093	S	C	.	.	S	Bend	trans	-144.2	166	176.4	-70	-58.1	-171.9	120.8	-0.5	108.1	E352 T512 F513	R348-E352 HydrophobicContact CB-CB 4.4Å; R348-E352 WeakPolarHBondContact CD-OE1 3.24Å; R348-E352 IonicContact CZ-OE1 3.32Å; R348-E352 IonicContact NE-OE1 3.12Å; R348-E352 IonicContact NH1-OE1 3.67Å; R348-E352 PolarHBondContact NH1-OE1 3.23Å; R348-T512 WeakPolarHBondContact CG-O 3.23Å; R348-F513 HydrophobicContact CB-CD1 3.59Å; R348-F513 HydrophobicContact CB-CE1 4.03Å; R348-F513 HydrophobicContact CB-CG 4.45Å; R348-F513 HydrophobicContact CG-CD1 4.01Å; R348-F513 HydrophobicContact CG-CE1 4.22Å
349	T	96.1	Very high	96.6	Very high	34 Å²	34	22.4 Å²	22.4	21%	0.209	11%	0.114	C	C	.	.			trans	-70	165.3	178.4	62.3	0	0	0	0	112	D351 E352 L353 L534 Y535	T349-D351 PolarHBondContact O-N 3.29Å; T349-E352 WeakPolarHBondContact CB-OE2 3.45Å; T349-E352 PolarHBondContact N-OE2 3.18Å; T349-E352 VanDerWaalsContact OG1-CG 3.28Å; T349-E352 WeakPolarHBondContact OG1-CG 3.17Å; T349-E352 PolarHBondContact OG1-N 2.18Å; T349-E352 PolarHBondContact OG1-OE2 2.85Å; T349-L353 PolarHBondContact O-N 3.15Å; T349-L534 HydrophobicContact CG2-CD2 4.44Å; T349-Y535 HydrophobicContact CG2-CE1 4.3Å
350	N	96.8	Very high	96.5	Very high	13 Å²	13	24 Å²	24	7%	0.07	12%	0.122	C	C	.	.	H	α-helix	trans	-55.9	-39	169.6	173.1	78.8	0	0	0	112	H272 L353 V354	H272-N350 PolarHBondContact CD2-OD1 2.98Å; H272-N350 VanDerWaalsContact CD2-OD1 3.25Å; H272-N350 PolarHBondContact NE2-OD1 2.8Å; N350-L353 WeakPolarHBondContact O-CB 3.38Å; N350-L353 PolarHBondContact O-N 2.69Å; N350-V354 WeakPolarHBondContact O-CG2 3.33Å; N350-V354 PolarHBondContact O-N 2.83Å
351	D	94.8	Very high	96.3	Very high	73 Å²	73	27 Å²	27	39%	0.39	13%	0.133	S	C	.	.	H	α-helix	trans	-80.1	-36.7	-165.3	-47.8	-26.8	0	0	0	110.3	P237 T349 L353 V354 A355	P237-D351 HydrophobicContact CB-CB 4.34Å; P237-D351 HydrophobicContact CG-CB 4.32Å; T349-D351 PolarHBondContact O-N 3.29Å; D351-L353 VanDerWaalsContact C-N 3.33Å; D351-L353 PolarHBondContact O-N 3.19Å; D351-V354 PolarHBondContact O-N 2.96Å; D351-A355 WeakPolarHBondContact O-CB 3.48Å; D351-A355 PolarHBondContact O-N 2.89Å
352	E	94.5	Very high	96.1	Very high	34 Å²	34	31.5 Å²	31.5	16%	0.159	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-39.7	166.1	-66.7	166.6	103.8	0	0	112	N235 R348 T349 F356 F513	N235-E352 HydrophobicContact CB-CG 4.41Å; R348-E352 HydrophobicContact CB-CB 4.4Å; R348-E352 WeakPolarHBondContact CD-OE1 3.24Å; R348-E352 IonicContact CZ-OE1 3.32Å; R348-E352 IonicContact NE-OE1 3.12Å; R348-E352 IonicContact NH1-OE1 3.67Å; R348-E352 PolarHBondContact NH1-OE1 3.23Å; T349-E352 WeakPolarHBondContact CB-OE2 3.45Å; T349-E352 PolarHBondContact N-OE2 3.18Å; T349-E352 VanDerWaalsContact OG1-CG 3.28Å; T349-E352 WeakPolarHBondContact OG1-CG 3.17Å; T349-E352 PolarHBondContact OG1-N 2.18Å; T349-E352 PolarHBondContact OG1-OE2 2.85Å; E352-F356 VanDerWaalsContact O-CB 3.31Å; E352-F356 WeakPolarHBondContact O-CB 3.38Å; E352-F356 PolarHBondContact O-N 2.98Å; E352-F513 HydrophobicContact CB-CE1 3.98Å; E352-F513 WeakPolarHBondContact O-CE1 3.48Å
353	L	96.4	Very high	96.1	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-44.6	177.7	175.6	66.3	0	0	0	111.4	F248 T349 N350 D351 L357 F513 F514	F248-L353 HydrophobicContact CZ-CD2 4.05Å; T349-L353 PolarHBondContact O-N 3.15Å; N350-L353 WeakPolarHBondContact O-CB 3.38Å; N350-L353 PolarHBondContact O-N 2.69Å; D351-L353 VanDerWaalsContact C-N 3.33Å; D351-L353 PolarHBondContact O-N 3.19Å; L353-L357 HydrophobicContact CD1-CD1 3.63Å; L353-L357 HydrophobicContact CD1-CG 4.02Å; L353-L357 HydrophobicContact CG-CD1 4.03Å; L353-L357 WeakPolarHBondContact O-CB 3.36Å; L353-L357 WeakPolarHBondContact O-CG 3Å; L353-L357 PolarHBondContact O-N 2.66Å; L353-F513 HydrophobicContact CB-CD1 3.74Å; L353-F513 HydrophobicContact CB-CE1 4.22Å; L353-F513 HydrophobicContact CB-CG 4.4Å; L353-F513 HydrophobicContact CD1-CB 3.83Å; L353-F513 HydrophobicContact CD1-CD1 3.87Å; L353-F513 HydrophobicContact CD1-CD2 4.14Å; L353-F513 HydrophobicContact CD1-CG 3.67Å; L353-F513 HydrophobicContact CG-CD1 4.42Å; L353-F514 HydrophobicContact CD1-CE2 4.37Å; L353-F514 HydrophobicContact CD2-CE2 4Å; L353-F514 HydrophobicContact CD2-CZ 3.82Å
354	V	96.7	Very high	96.1	Very high	17 Å²	17	32.4 Å²	32.4	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-43.4	177.5	172	0	0	0	0	110.8	P243 V244 N350 D351 S358	P243-V354 HydrophobicContact CB-CG1 3.58Å; V244-V354 HydrophobicContact CG2-CG1 4.41Å; N350-V354 WeakPolarHBondContact O-CG2 3.33Å; N350-V354 PolarHBondContact O-N 2.83Å; D351-V354 PolarHBondContact O-N 2.96Å; V354-S358 VanDerWaalsContact O-CB 3.24Å; V354-S358 WeakPolarHBondContact O-CB 3.3Å; V354-S358 PolarHBondContact O-N 3Å; V354-S358 PolarHBondContact O-OG 2.9Å
355	A	94.7	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-52.2	176.2	0	0	0	0	0	111.6	V240 D351 L357 S358 Q359	V240-A355 HydrophobicContact CG2-CB 4.14Å; D351-A355 WeakPolarHBondContact O-CB 3.48Å; D351-A355 PolarHBondContact O-N 2.89Å; A355-L357 PolarHBondContact O-N 3.47Å; A355-S358 PolarHBondContact O-N 3.16Å; A355-Q359 WeakPolarHBondContact O-CG 3.38Å; A355-Q359 PolarHBondContact O-N 2.84Å; A355-Q359 VanDerWaalsContact O-N 3.13Å
356	F	94.9	Very high	96	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.013	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-46.6	179.7	178.1	-93.1	0	0	0	112.7	L233 E352 S358 Q359 H360 F365 L468 P511 F513	L233-F356 HydrophobicContact CD1-CD2 4Å; L233-F356 HydrophobicContact CD1-CE2 4.41Å; L233-F356 HydrophobicContact CD2-CD2 4.32Å; E352-F356 VanDerWaalsContact O-CB 3.31Å; E352-F356 WeakPolarHBondContact O-CB 3.38Å; E352-F356 PolarHBondContact O-N 2.98Å; F356-S358 VanDerWaalsContact C-N 3.35Å; F356-S358 PolarHBondContact O-N 2.96Å; F356-Q359 PolarHBondContact O-N 3.18Å; F356-H360 AromaticContact CD2-CE1 3.93Å; F356-H360 AromaticContact CD2-ND1 3.85Å; F356-H360 AromaticContact CE2-CE1 3.62Å; F356-H360 AromaticContact CE2-ND1 3.69Å; F356-H360 AromaticContact CZ-ND1 3.87Å; F356-H360 PolarHBondContact O-N 2.69Å; F356-H360 PolarHBondContact O-ND1 3.35Å; F356-F365 AromaticContact CE1-CE1 3.76Å; F356-F365 HydrophobicContact CE1-CE1 3.76Å; F356-F365 HydrophobicContact CE1-CE2 4.45Å; F356-F365 AromaticContact CE1-CZ 3.67Å; F356-F365 HydrophobicContact CE1-CZ 3.67Å; F356-F365 AromaticContact CZ-CE1 3.92Å; F356-F365 HydrophobicContact CZ-CE1 3.92Å; F356-F365 HydrophobicContact CZ-CZ 4.09Å; F356-L468 HydrophobicContact CD1-CD1 4.29Å; F356-L468 HydrophobicContact CE1-CD1 3.88Å; F356-L468 HydrophobicContact CE1-CD2 3.66Å; F356-L468 HydrophobicContact CE1-CG 4.43Å; F356-L468 HydrophobicContact CZ-CD2 3.99Å; F356-P511 HydrophobicContact CD2-CB 4.3Å; F356-P511 HydrophobicContact CE2-CB 3.77Å; F356-P511 HydrophobicContact CE2-CG 3.8Å; F356-P511 HydrophobicContact CZ-CB 3.99Å; F356-P511 HydrophobicContact CZ-CG 3.86Å; F356-F513 HydrophobicContact CB-CE1 4.25Å; F356-F513 HydrophobicContact CB-CE2 3.98Å; F356-F513 HydrophobicContact CB-CZ 3.44Å; F356-F513 VanDerWaalsContact CB-CZ 3.44Å; F356-F513 HydrophobicContact CD1-CD2 4.45Å; F356-F513 AromaticContact CD1-CE2 3.53Å; F356-F513 HydrophobicContact CD1-CE2 3.53Å; F356-F513 AromaticContact CD1-CZ 3.94Å; F356-F513 HydrophobicContact CD1-CZ 3.94Å; F356-F513 HydrophobicContact CD2-CE2 4.24Å; F356-F513 HydrophobicContact CD2-CZ 4.2Å; F356-F513 HydrophobicContact CE1-CE2 4.1Å; F356-F513 AromaticContact CG-CE2 3.63Å; F356-F513 HydrophobicContact CG-CE2 3.63Å; F356-F513 AromaticContact CG-CZ 3.58Å; F356-F513 HydrophobicContact CG-CZ 3.58Å
357	L	96.4	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-72.2	-26.8	-179.6	-70.4	178.6	0	0	0	113.1	V244 V246 F336 I338 L353 A355 H360 R361 F365 L468	V244-L357 HydrophobicContact CG2-CB 3.62Å; V246-L357 HydrophobicContact CG2-CD1 4.27Å; F336-L357 HydrophobicContact CD1-CD2 4.4Å; F336-L357 HydrophobicContact CD2-CB 4.1Å; F336-L357 HydrophobicContact CD2-CD1 4.23Å; F336-L357 HydrophobicContact CD2-CD2 4.49Å; F336-L357 HydrophobicContact CE1-CD2 4.1Å; F336-L357 HydrophobicContact CE2-CB 3.85Å; F336-L357 HydrophobicContact CE2-CD2 4.19Å; F336-L357 HydrophobicContact CE2-CG 4.44Å; F336-L357 WeakPolarHBondContact CE2-O 3.5Å; F336-L357 HydrophobicContact CG-CD1 4.29Å; F336-L357 HydrophobicContact CZ-CB 4.43Å; F336-L357 HydrophobicContact CZ-CD2 3.99Å; I338-L357 HydrophobicContact CD1-CD1 3.95Å; L353-L357 HydrophobicContact CD1-CD1 3.63Å; L353-L357 HydrophobicContact CD1-CG 4.02Å; L353-L357 HydrophobicContact CG-CD1 4.03Å; L353-L357 WeakPolarHBondContact O-CB 3.36Å; L353-L357 WeakPolarHBondContact O-CG 3Å; L353-L357 PolarHBondContact O-N 2.66Å; A355-L357 PolarHBondContact O-N 3.47Å; L357-H360 CarbonylContact O-C 3.58Å; L357-H360 PolarHBondContact O-N 2.71Å; L357-R361 WeakPolarHBondContact O-CA 3.18Å; L357-R361 PolarHBondContact O-N 2.7Å; L357-R361 VanDerWaalsContact O-N 3.16Å; L357-F365 HydrophobicContact CD2-CD2 4.17Å; L357-F365 HydrophobicContact CD2-CE2 3.78Å; L357-F365 HydrophobicContact CD2-CZ 4.49Å; L357-L468 HydrophobicContact CD2-CD1 4.09Å
358	S	95.7	Very high	95.7	Very high	20 Å²	20	36.1 Å²	36.1	14%	0.14	18%	0.175	C	C	.	.	H	α-helix	trans	-71.4	-35.9	175.1	-55.4	0	0	0	0	112.1	V240 V244 V354 A355 F356 H360	V240-S358 VanDerWaalsContact CG1-CB 3.5Å; V244-S358 PolarHBondContact N-OG 3.41Å; V354-S358 VanDerWaalsContact O-CB 3.24Å; V354-S358 WeakPolarHBondContact O-CB 3.3Å; V354-S358 PolarHBondContact O-N 3Å; V354-S358 PolarHBondContact O-OG 2.9Å; A355-S358 PolarHBondContact O-N 3.16Å; F356-S358 VanDerWaalsContact C-N 3.35Å; F356-S358 PolarHBondContact O-N 2.96Å; S358-H360 PolarHBondContact O-N 3.28Å
359	Q	92.9	Very high	95.3	Very high	94 Å²	94	32.8 Å²	32.8	44%	0.439	16%	0.164	S	C	.	.	H	α-helix	trans	-67.1	-24.4	172.3	-68.9	169.3	3.3	0	0	112.8	A355 F356	A355-Q359 WeakPolarHBondContact O-CG 3.38Å; A355-Q359 PolarHBondContact O-N 2.84Å; A355-Q359 VanDerWaalsContact O-N 3.13Å; F356-Q359 PolarHBondContact O-N 3.18Å
360	H	94.7	Very high	94.5	Very high	34 Å²	34	34.4 Å²	34.4	16%	0.157	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	35.3	-174	-57.5	93.8	0	0	0	112.8	F356 L357 S358 D362 Q363 F365	F356-H360 AromaticContact CD2-CE1 3.93Å; F356-H360 AromaticContact CD2-ND1 3.85Å; F356-H360 AromaticContact CE2-CE1 3.62Å; F356-H360 AromaticContact CE2-ND1 3.69Å; F356-H360 AromaticContact CZ-ND1 3.87Å; F356-H360 PolarHBondContact O-N 2.69Å; F356-H360 PolarHBondContact O-ND1 3.35Å; L357-H360 CarbonylContact O-C 3.58Å; L357-H360 PolarHBondContact O-N 2.71Å; S358-H360 PolarHBondContact O-N 3.28Å; H360-D362 PolarHBondContact O-N 2.87Å; H360-D362 VanDerWaalsContact O-N 3.09Å; H360-Q363 HydrophobicContact CB-CB 4.33Å; H360-Q363 HydrophobicContact CB-CG 4.48Å; H360-Q363 PolarHBondContact CD2-OE1 2.94Å; H360-Q363 WeakPolarHBondContact O-CB 3.27Å; H360-Q363 PolarHBondContact O-N 3.14Å; H360-F365 HydrophobicContact CB-CE2 4.36Å; H360-F365 HydrophobicContact CB-CZ 3.8Å
361	R	95	Very high	93.4	Very high	63 Å²	63	41.9 Å²	41.9	24%	0.238	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.5	-168.1	-154.3	-174.3	-149.2	109.6	-4.3	115.1	N242 V244 D335 F336 L357 T417	N242-R361 PolarHBondContact O-NH1 3.2Å; N242-R361 PolarHBondContact OD1-NH1 3.46Å; N242-R361 PolarHBondContact OD1-NH2 3.12Å; V244-R361 HydrophobicContact CG1-CG 3.85Å; D335-R361 VanDerWaalsContact CG-NH2 3.27Å; D335-R361 IonicContact OD1-CZ 2.92Å; D335-R361 IonicContact OD1-NE 3.55Å; D335-R361 PolarHBondContact OD1-NE 2.75Å; D335-R361 IonicContact OD1-NH2 3.49Å; D335-R361 PolarHBondContact OD1-NH2 2.82Å; D335-R361 IonicContact OD2-NH2 2.7Å; D335-R361 PolarHBondContact OD2-NH2 2.84Å; F336-R361 HydrophobicContact CE2-CG 4.44Å; L357-R361 WeakPolarHBondContact O-CA 3.18Å; L357-R361 PolarHBondContact O-N 2.7Å; L357-R361 VanDerWaalsContact O-N 3.16Å; R361-T417 VanDerWaalsContact O-CG2 3.24Å; R361-T417 WeakPolarHBondContact O-CG2 3.5Å
362	D	95.3	Very high	92.9	Very high	106 Å²	106	43.6 Å²	43.6	57%	0.567	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	2.3	-179.8	-70.6	-78.9	0	0	0	114.4	H360 R419 S462	H360-D362 PolarHBondContact O-N 2.87Å; H360-D362 VanDerWaalsContact O-N 3.09Å; D362-R419 IonicContact OD1-NH1 3.25Å; D362-S462 WeakPolarHBondContact O-CB 3.39Å
363	Q	97.4	Very high	92.6	Very high	56 Å²	56	44.5 Å²	44.5	26%	0.262	23%	0.226	S	C	.	.			trans	-99.6	139.9	-174.4	-67.6	-179.1	-1	0	0	113.7	F336 H360 F365 T417 V464	F336-Q363 WeakPolarHBondContact CE1-O 3.42Å; H360-Q363 HydrophobicContact CB-CB 4.33Å; H360-Q363 HydrophobicContact CB-CG 4.48Å; H360-Q363 PolarHBondContact CD2-OE1 2.94Å; H360-Q363 WeakPolarHBondContact O-CB 3.27Å; H360-Q363 PolarHBondContact O-N 3.14Å; Q363-F365 HydrophobicContact CB-CE2 4.01Å; Q363-F365 HydrophobicContact CB-CZ 3.93Å; Q363-F365 WeakPolarHBondContact O-CD2 3.37Å; Q363-F365 WeakPolarHBondContact O-CE2 3.41Å; Q363-T417 VanDerWaalsContact O-CG2 3.31Å; Q363-T417 WeakPolarHBondContact O-CG2 3.4Å; Q363-V464 HydrophobicContact CB-CG2 3.9Å; Q363-V464 HydrophobicContact CG-CG2 4.11Å
364	N	98.3	Very high	92.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.1	-179.4	-69.2	-72.8	0	0	0	110.4	L416 T417 F420 L454 S462 V464	N364-L416 HydrophobicContact CB-CD2 4.26Å; N364-T417 PolarHBondContact ND2-OG1 3.32Å; N364-T417 PolarHBondContact OD1-N 3.31Å; N364-T417 PolarHBondContact OD1-OG1 2.7Å; N364-F420 WeakPolarHBondContact OD1-CB 3.21Å; N364-L454 HydrophobicContact CB-CD2 3.63Å; N364-S462 PolarHBondContact N-O 2.86Å; N364-S462 PolarHBondContact ND2-OG 3.06Å; N364-V464 PolarHBondContact O-N 2.83Å
365	F	98.3	Very high	92.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	93.7	-167.9	-65.7	-81.8	0	0	0	111.4	F336 F356 L357 H360 Q363 F414 S415 V464 N466 L468	F336-F365 HydrophobicContact CE1-CD2 4.27Å; F336-F365 HydrophobicContact CE1-CE2 4.22Å; F336-F365 HydrophobicContact CZ-CE2 4.37Å; F356-F365 AromaticContact CE1-CE1 3.76Å; F356-F365 HydrophobicContact CE1-CE1 3.76Å; F356-F365 HydrophobicContact CE1-CE2 4.45Å; F356-F365 AromaticContact CE1-CZ 3.67Å; F356-F365 HydrophobicContact CE1-CZ 3.67Å; F356-F365 AromaticContact CZ-CE1 3.92Å; F356-F365 HydrophobicContact CZ-CE1 3.92Å; F356-F365 HydrophobicContact CZ-CZ 4.09Å; L357-F365 HydrophobicContact CD2-CD2 4.17Å; L357-F365 HydrophobicContact CD2-CE2 3.78Å; L357-F365 HydrophobicContact CD2-CZ 4.49Å; H360-F365 HydrophobicContact CB-CE2 4.36Å; H360-F365 HydrophobicContact CB-CZ 3.8Å; Q363-F365 HydrophobicContact CB-CE2 4.01Å; Q363-F365 HydrophobicContact CB-CZ 3.93Å; Q363-F365 WeakPolarHBondContact O-CD2 3.37Å; Q363-F365 WeakPolarHBondContact O-CE2 3.41Å; F365-F414 WeakPolarHBondContact O-CA 3.28Å; F365-F414 WeakPolarHBondContact O-CB 3.35Å; F365-S415 PolarHBondContact N-O 3.3Å; F365-S415 PolarHBondContact O-N 2.95Å; F365-S415 VanDerWaalsContact O-N 3.08Å; F365-V464 HydrophobicContact CD1-CB 3.94Å; F365-V464 HydrophobicContact CD1-CG1 4Å; F365-V464 HydrophobicContact CD1-CG2 4.46Å; F365-V464 HydrophobicContact CE1-CB 4.09Å; F365-V464 HydrophobicContact CE1-CG1 4.03Å; F365-V464 HydrophobicContact CE1-CG2 4.16Å; F365-N466 CarbonylContact C-O 3.58Å; F365-N466 WeakPolarHBondContact CA-O 3.47Å; F365-N466 VanDerWaalsContact CB-O 3.27Å; F365-N466 WeakPolarHBondContact CB-O 3.4Å; F365-N466 WeakPolarHBondContact CD1-O 3.22Å; F365-L468 HydrophobicContact CB-CD1 4.36Å; F365-L468 HydrophobicContact CB-CG 4.24Å; F365-L468 HydrophobicContact CD1-CD1 4.1Å; F365-L468 HydrophobicContact CD1-CD2 3.93Å; F365-L468 HydrophobicContact CD1-CG 3.94Å; F365-L468 HydrophobicContact CD2-CD1 4.25Å; F365-L468 HydrophobicContact CE1-CD1 4.5Å; F365-L468 HydrophobicContact CE1-CD2 4.21Å; F365-L468 HydrophobicContact CG-CD1 3.97Å; F365-L468 HydrophobicContact CG-CG 4.1Å
366	L	97.4	Very high	92	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.			trans	-125	136.3	-178.7	-79.1	154.7	0	0	0	109.2	F414 L416 F450 L454 L463 V464 D465 N466	L366-F414 HydrophobicContact CD2-CB 3.63Å; L366-F414 HydrophobicContact CD2-CD1 3.94Å; L366-F414 HydrophobicContact CD2-CG 4.03Å; L366-F414 HydrophobicContact CG-CB 4.17Å; L366-L416 HydrophobicContact CD1-CD2 3.86Å; L366-L416 HydrophobicContact CD2-CD2 4.44Å; L366-L416 HydrophobicContact CG-CD2 4.01Å; L366-F450 HydrophobicContact CD1-CB 4.29Å; L366-F450 HydrophobicContact CD2-CB 3.96Å; L366-L454 HydrophobicContact CD1-CB 4.47Å; L366-L454 HydrophobicContact CD1-CD2 3.78Å; L366-L463 HydrophobicContact CB-CD1 3.86Å; L366-L463 HydrophobicContact CD1-CD1 4.4Å; L366-V464 PolarHBondContact N-O 2.77Å; L366-D465 CarbonylContact O-C 3.57Å; L366-D465 WeakPolarHBondContact O-CA 3.28Å; L366-N466 PolarHBondContact O-N 2.74Å
367	K	95.9	Very high	92	Very high	67 Å²	67	55.1 Å²	55.1	29%	0.291	28%	0.28	S	S	.	.			trans	-102.4	121.2	177.1	-172.5	68.6	-138.5	166.2	0	110.4	G410 S411 H451 D465 N467	K367-G410 CarbonylContact O-C 3.57Å; K367-G410 VanDerWaalsContact O-CA 3.3Å; K367-G410 WeakPolarHBondContact O-CA 3.45Å; K367-S411 PolarHBondContact O-N 2.7Å; K367-H451 PolarHBondContact O-NE2 3.39Å; K367-H451 VanDerWaalsContact O-NE2 3.08Å; K367-D465 WeakPolarHBondContact CD-O 3.38Å; K367-D465 WeakPolarHBondContact CD-OD1 3.49Å; K367-D465 WeakPolarHBondContact CE-OD1 3.2Å; K367-D465 PolarHBondContact NZ-O 2.88Å; K367-D465 IonicContact NZ-OD1 2.93Å; K367-D465 PolarHBondContact NZ-OD1 2.93Å; K367-D465 IonicContact NZ-OD2 2.7Å; K367-D465 PolarHBondContact NZ-OD2 2.95Å; K367-N467 HydrophobicContact CB-CB 3.74Å; K367-N467 VanDerWaalsContact CB-CG 3.49Å
368	S	92.5	Very high	91.9	Very high	23 Å²	23	62.1 Å²	62.1	16%	0.161	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-86.9	159.6	177.1	-63.4	0	0	0	0	112.1	G370 G409 D465	S368-G370 VanDerWaalsContact C-N 3.25Å; S368-G370 PolarHBondContact O-N 2.78Å; S368-G409 CarbonylContact C-O 3.46Å; S368-G409 VanDerWaalsContact CA-O 3.24Å; S368-G409 WeakPolarHBondContact CA-O 3.47Å; S368-D465 WeakPolarHBondContact CB-OD1 3.25Å; S368-D465 PolarHBondContact N-OD1 2.89Å
369	H	87.6	Confident	91.8	Very high	44 Å²	44	67.9 Å²	67.9	20%	0.204	33%	0.333	C	S	.	.			trans	-72	-11	-172.2	65.8	74.2	0	0	0	115.1	R371 F376 G409	H369-R371 PolarHBondContact CE1-O 2.68Å; H369-R371 PolarHBondContact ND1-N 2.88Å; H369-R371 WeakPolarHBondContact O-CG 3.16Å; H369-R371 PolarHBondContact O-N 3.47Å; H369-F376 HydrophobicContact CB-CD2 3.79Å; H369-F376 HydrophobicContact CB-CE2 4.1Å; H369-F376 HydrophobicContact CB-CG 4.4Å; H369-F376 AromaticContact CD2-CD1 3.42Å; H369-F376 VanDerWaalsContact CD2-CD1 3.42Å; H369-F376 WeakPolarHBondContact CD2-CD1 3.16Å; H369-F376 AromaticContact CD2-CD2 3.38Å; H369-F376 WeakPolarHBondContact CD2-CD2 3.4Å; H369-F376 AromaticContact CD2-CE1 3.9Å; H369-F376 AromaticContact CD2-CE2 3.86Å; H369-F376 AromaticContact CD2-CG 3.13Å; H369-F376 WeakPolarHBondContact CD2-CG 3.47Å; H369-F376 AromaticContact CG-CD2 3.64Å; H369-F376 AromaticContact CG-CG 3.74Å; H369-F376 VanDerWaalsContact NE2-CB 3.32Å; H369-F376 WeakPolarHBondContact NE2-CB 3.43Å; H369-F376 AromaticContact NE2-CD1 3.6Å; H369-F376 AromaticContact NE2-CG 3.43Å; H369-F376 WeakPolarHBondContact NE2-CG 3.33Å; H369-G409 PolarHBondContact CD2-O 3.12Å; H369-G409 PolarHBondContact N-O 3.29Å
370	G	78.1	Confident	91.9	Very high	69 Å²	69	64.8 Å²	64.8	71%	0.711	32%	0.318	S	S	*	.			trans	57.6	38.4	171.8	0	0	0	0	0	115.1	S368	S368-G370 VanDerWaalsContact C-N 3.25Å; S368-G370 PolarHBondContact O-N 2.78Å
371	R	74.6	Confident	92	Very high	169 Å²	169	63.1 Å²	63.1	64%	0.638	31%	0.311	S	S	*	.	S	Bend	trans	-146.1	-179.2	-173.1	-68.6	173.7	-177.9	-156.2	-7.5	110.6	H369 N373	H369-R371 PolarHBondContact CE1-O 2.68Å; H369-R371 PolarHBondContact ND1-N 2.88Å; H369-R371 WeakPolarHBondContact O-CG 3.16Å; H369-R371 PolarHBondContact O-N 3.47Å; R371-N373 PolarHBondContact O-N 2.91Å
372	E	84.2	Confident	92.1	Very high	109 Å²	109	60.2 Å²	60.2	51%	0.509	30%	0.3	S	S	.	.			trans	-57.6	119.8	167.5	177.3	-176.4	-124.4	0	0	111.9	R375 F376	E372-R375 HydrophobicContact CB-CB 4.25Å; E372-R375 HydrophobicContact CG-CB 4.24Å; E372-R375 WeakPolarHBondContact O-CB 3.35Å; E372-R375 PolarHBondContact O-N 3.46Å; E372-R375 IonicContact OE1-NH2 3.95Å; E372-R375 WeakPolarHBondContact OE2-CB 3.45Å; E372-R375 IonicContact OE2-CZ 3.11Å; E372-R375 IonicContact OE2-NE 2.69Å; E372-R375 PolarHBondContact OE2-NE 3.46Å; E372-R375 IonicContact OE2-NH2 2.69Å; E372-R375 PolarHBondContact OE2-NH2 3.1Å; E372-F376 PolarHBondContact O-N 3.1Å
373	N	87.4	Confident	92.2	Very high	53 Å²	53	56.2 Å²	56.2	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-43.5	-173.6	-169	2.3	0	0	0	113.3	R371 R375 F376 I377 V407	R371-N373 PolarHBondContact O-N 2.91Å; N373-R375 PolarHBondContact O-N 3.27Å; N373-F376 WeakPolarHBondContact O-CA 3.33Å; N373-F376 WeakPolarHBondContact O-CB 3.33Å; N373-F376 PolarHBondContact O-N 2.91Å; N373-I377 PolarHBondContact O-N 3.32Å; N373-V407 PolarHBondContact ND2-O 2.88Å
374	A	90.3	Very high	92.2	Very high	63 Å²	63	56.2 Å²	56.2	52%	0.521	28%	0.276	S	S	.	.	H	α-helix	trans	-57.2	-26.9	176.7	0	0	0	0	0	113.4	K378	A374-K378 PolarHBondContact O-N 3.41Å
375	R	91.9	Very high	92.2	Very high	144 Å²	144	56.3 Å²	56.3	54%	0.543	28%	0.276	S	S	.	.	H	α-helix	trans	-84.1	-23.5	175.3	-164.5	-172.4	-54.6	-154.1	1.7	113	E372 N373 K379	E372-R375 HydrophobicContact CB-CB 4.25Å; E372-R375 HydrophobicContact CG-CB 4.24Å; E372-R375 WeakPolarHBondContact O-CB 3.35Å; E372-R375 PolarHBondContact O-N 3.46Å; E372-R375 IonicContact OE1-NH2 3.95Å; E372-R375 WeakPolarHBondContact OE2-CB 3.45Å; E372-R375 IonicContact OE2-CZ 3.11Å; E372-R375 IonicContact OE2-NE 2.69Å; E372-R375 PolarHBondContact OE2-NE 3.46Å; E372-R375 IonicContact OE2-NH2 2.69Å; E372-R375 PolarHBondContact OE2-NH2 3.1Å; N373-R375 PolarHBondContact O-N 3.27Å; R375-K379 HydrophobicContact CG-CD 4.41Å; R375-K379 WeakPolarHBondContact O-CB 3.38Å; R375-K379 VanDerWaalsContact O-CG 3.25Å; R375-K379 WeakPolarHBondContact O-CG 3.45Å
376	F	93.1	Very high	92.2	Very high	16 Å²	16	56.3 Å²	56.3	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-72.2	-55.4	170.2	171.7	-107.6	0	0	0	110.1	H369 E372 N373 K378 K379 Q380 L382	H369-F376 HydrophobicContact CB-CD2 3.79Å; H369-F376 HydrophobicContact CB-CE2 4.1Å; H369-F376 HydrophobicContact CB-CG 4.4Å; H369-F376 AromaticContact CD2-CD1 3.42Å; H369-F376 VanDerWaalsContact CD2-CD1 3.42Å; H369-F376 WeakPolarHBondContact CD2-CD1 3.16Å; H369-F376 AromaticContact CD2-CD2 3.38Å; H369-F376 WeakPolarHBondContact CD2-CD2 3.4Å; H369-F376 AromaticContact CD2-CE1 3.9Å; H369-F376 AromaticContact CD2-CE2 3.86Å; H369-F376 AromaticContact CD2-CG 3.13Å; H369-F376 WeakPolarHBondContact CD2-CG 3.47Å; H369-F376 AromaticContact CG-CD2 3.64Å; H369-F376 AromaticContact CG-CG 3.74Å; H369-F376 VanDerWaalsContact NE2-CB 3.32Å; H369-F376 WeakPolarHBondContact NE2-CB 3.43Å; H369-F376 AromaticContact NE2-CD1 3.6Å; H369-F376 AromaticContact NE2-CG 3.43Å; H369-F376 WeakPolarHBondContact NE2-CG 3.33Å; E372-F376 PolarHBondContact O-N 3.1Å; N373-F376 WeakPolarHBondContact O-CA 3.33Å; N373-F376 WeakPolarHBondContact O-CB 3.33Å; N373-F376 PolarHBondContact O-N 2.91Å; F376-K378 VanDerWaalsContact C-N 3.32Å; F376-K378 PolarHBondContact O-N 2.88Å; F376-K379 PolarHBondContact O-N 3.25Å; F376-Q380 HydrophobicContact CD1-CG 4.32Å; F376-Q380 HydrophobicContact CD2-CG 3.63Å; F376-Q380 HydrophobicContact CE1-CG 4.04Å; F376-Q380 HydrophobicContact CE2-CG 3.31Å; F376-Q380 HydrophobicContact CG-CG 4.13Å; F376-Q380 HydrophobicContact CZ-CG 3.53Å; F376-Q380 WeakPolarHBondContact O-CG 3.17Å; F376-Q380 PolarHBondContact O-N 2.78Å; F376-L382 HydrophobicContact CE1-CD1 4.09Å
377	I	94.4	Very high	92.3	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.138	28%	0.282	C	S	.	.	H	α-helix	trans	-45.8	-54.6	177.9	-66.1	167.7	0	0	0	111.2	N373 K379 Q380 G381 L382 D383 I401 V407	N373-I377 PolarHBondContact O-N 3.32Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 2.95Å; I377-Q380 PolarHBondContact O-N 2.86Å; I377-G381 PolarHBondContact O-N 3.02Å; I377-L382 HydrophobicContact CG2-CB 4.08Å; I377-L382 PolarHBondContact O-N 2.86Å; I377-D383 HydrophobicContact CG2-CB 4.35Å; I377-I401 HydrophobicContact CG2-CD1 4.08Å; I377-I401 HydrophobicContact CG2-CG1 4.22Å; I377-V407 HydrophobicContact CD1-CB 4.39Å; I377-V407 HydrophobicContact CD1-CG1 4.47Å; I377-V407 HydrophobicContact CG1-CG1 4.14Å
378	K	94.8	Very high	92.4	Very high	147 Å²	147	56.2 Å²	56.2	64%	0.639	28%	0.277	S	S	*	.	H	α-helix	trans	-67.9	-17.4	179.8	-70.9	-172.8	175.3	-171.6	0	115.5	A374 F376	A374-K378 PolarHBondContact O-N 3.41Å; F376-K378 VanDerWaalsContact C-N 3.32Å; F376-K378 PolarHBondContact O-N 2.88Å
379	K	94.1	Very high	92.6	Very high	141 Å²	141	55.7 Å²	55.7	61%	0.613	27%	0.273	S	S	*	.	H	α-helix	trans	-95.7	-29.8	178.6	-76.9	-174.3	178.7	-122.9	0	113.2	R375 F376 I377 G381 W489	R375-K379 HydrophobicContact CG-CD 4.41Å; R375-K379 WeakPolarHBondContact O-CB 3.38Å; R375-K379 VanDerWaalsContact O-CG 3.25Å; R375-K379 WeakPolarHBondContact O-CG 3.45Å; F376-K379 PolarHBondContact O-N 3.25Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 2.95Å; K379-G381 VanDerWaalsContact C-N 3.27Å; K379-W489 PolarHBondContact O-NE1 3.16Å
380	Q	95.3	Very high	93	Very high	29 Å²	29	56.8 Å²	56.8	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-76.8	-17.1	168	-58.9	-53.1	108.3	0	0	112.3	F376 I377 L382 E447	F376-Q380 HydrophobicContact CD1-CG 4.32Å; F376-Q380 HydrophobicContact CD2-CG 3.63Å; F376-Q380 HydrophobicContact CE1-CG 4.04Å; F376-Q380 HydrophobicContact CE2-CG 3.31Å; F376-Q380 HydrophobicContact CG-CG 4.13Å; F376-Q380 HydrophobicContact CZ-CG 3.53Å; F376-Q380 WeakPolarHBondContact O-CG 3.17Å; F376-Q380 PolarHBondContact O-N 2.78Å; I377-Q380 PolarHBondContact O-N 2.86Å; Q380-L382 HydrophobicContact CB-CD1 4.25Å; Q380-L382 HydrophobicContact CB-CG 3.89Å; Q380-E447 PolarHBondContact NE2-OE2 2.88Å
381	G	96.8	Very high	93.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	29.8	-173.7	0	0	0	0	0	112.5	I377 K379 D383 R384	I377-G381 PolarHBondContact O-N 3.02Å; K379-G381 VanDerWaalsContact C-N 3.27Å; G381-D383 PolarHBondContact O-N 2.84Å; G381-R384 WeakPolarHBondContact O-CA 3.24Å; G381-R384 VanDerWaalsContact O-CB 3.31Å; G381-R384 WeakPolarHBondContact O-CB 3.32Å; G381-R384 PolarHBondContact O-N 2.93Å
382	L	97.1	Very high	94.9	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.5	178.6	-70	172.6	0	0	0	112.1	F376 I377 Q380 R384 R399 I401 V407 Y439 A442	F376-L382 HydrophobicContact CE1-CD1 4.09Å; I377-L382 HydrophobicContact CG2-CB 4.08Å; I377-L382 PolarHBondContact O-N 2.86Å; Q380-L382 HydrophobicContact CB-CD1 4.25Å; Q380-L382 HydrophobicContact CB-CG 3.89Å; L382-R384 PolarHBondContact O-N 2.84Å; L382-R399 PolarHBondContact O-NE 2.73Å; L382-R399 PolarHBondContact O-NH2 3.38Å; L382-I401 HydrophobicContact CB-CD1 4.26Å; L382-V407 HydrophobicContact CD1-CG1 3.86Å; L382-Y439 HydrophobicContact CD2-CE1 3.83Å; L382-A442 HydrophobicContact CD2-CB 4.48Å
383	D	96.8	Very high	95.5	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.123	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	5.4	168.8	68.1	-49.7	0	0	0	113.9	I377 G381 E398 R399	I377-D383 HydrophobicContact CG2-CB 4.35Å; G381-D383 PolarHBondContact O-N 2.84Å; D383-E398 WeakPolarHBondContact O-CA 3.3Å; D383-R399 CarbonylContact C-O 3.5Å; D383-R399 PolarHBondContact O-N 2.85Å
384	R	98	Very high	96.1	Very high	56 Å²	56	44.1 Å²	44.1	21%	0.211	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.2	178.9	-49	-68.3	149.9	175.7	-25.9	110.4	G381 L382 F386 R395 G397 E398 R399 W489	G381-R384 WeakPolarHBondContact O-CA 3.24Å; G381-R384 VanDerWaalsContact O-CB 3.31Å; G381-R384 WeakPolarHBondContact O-CB 3.32Å; G381-R384 PolarHBondContact O-N 2.93Å; L382-R384 PolarHBondContact O-N 2.84Å; R384-F386 HydrophobicContact CB-CD2 4.12Å; R384-F386 HydrophobicContact CB-CE2 3.61Å; R384-F386 HydrophobicContact CB-CZ 4.25Å; R384-F386 HydrophobicContact CG-CE2 4.43Å; R384-R395 HydrophobicContact CB-CG 4.32Å; R384-G397 CarbonylContact C-O 3.59Å; R384-G397 VanDerWaalsContact CA-O 3.29Å; R384-G397 WeakPolarHBondContact CA-O 3.41Å; R384-E398 IonicContact CZ-OE1 3.08Å; R384-E398 VanDerWaalsContact NH1-CG 3.31Å; R384-E398 IonicContact NH1-OE1 2.91Å; R384-E398 PolarHBondContact NH1-OE1 3.36Å; R384-E398 IonicContact NH2-OE1 2.76Å; R384-E398 PolarHBondContact NH2-OE1 3.17Å; R384-R399 PolarHBondContact O-NE 3.01Å; R384-W489 HydrophobicContact CG-CH2 4.19Å; R384-W489 HydrophobicContact CG-CZ3 4.11Å
385	L	98.3	Very high	96.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.8	171.5	-171.5	72.8	0	0	0	109.3	I200 H204 L209 M210 L396 G397 Y441	I200-L385 HydrophobicContact CG2-CD2 4.17Å; H204-L385 HydrophobicContact CB-CD2 3.89Å; L209-L385 HydrophobicContact CD2-CD1 3.86Å; L209-L385 HydrophobicContact CD2-CD2 3.96Å; M210-L385 HydrophobicContact CE-CD1 4.21Å; M210-L385 HydrophobicContact CG-CD1 4.47Å; M210-L385 HydrophobicContact SD-CD1 4.15Å; L385-L396 HydrophobicContact CB-CB 4.45Å; L385-L396 HydrophobicContact CD2-CB 4.19Å; L385-L396 HydrophobicContact CD2-CD1 4.45Å; L385-L396 HydrophobicContact CG-CB 4.41Å; L385-L396 PolarHBondContact O-N 3.15Å; L385-G397 PolarHBondContact N-O 2.87Å; L385-Y441 HydrophobicContact CD1-CG 4.28Å
386	F	98.6	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153	177.1	-72.1	-88	0	0	0	111.8	R384 M393 W394 R395 Y441 L443 W489	R384-F386 HydrophobicContact CB-CD2 4.12Å; R384-F386 HydrophobicContact CB-CE2 3.61Å; R384-F386 HydrophobicContact CB-CZ 4.25Å; R384-F386 HydrophobicContact CG-CE2 4.43Å; F386-M393 HydrophobicContact CB-CE 3.96Å; F386-M393 HydrophobicContact CB-CG 4.21Å; F386-M393 HydrophobicContact CB-SD 4.07Å; F386-M393 HydrophobicContact CD1-CG 3.74Å; F386-M393 HydrophobicContact CE1-CG 4.43Å; F386-M393 HydrophobicContact CG-CG 4.25Å; F386-W394 CarbonylContact C-O 3.59Å; F386-W394 WeakPolarHBondContact CA-O 3.46Å; F386-W394 WeakPolarHBondContact CD1-O 3.36Å; F386-R395 HydrophobicContact CD1-CB 3.96Å; F386-R395 HydrophobicContact CD1-CG 4.27Å; F386-R395 HydrophobicContact CE1-CB 3.64Å; F386-R395 HydrophobicContact CE1-CG 3.82Å; F386-R395 HydrophobicContact CZ-CB 4.34Å; F386-R395 HydrophobicContact CZ-CG 4.03Å; F386-Y441 PolarHBondContact N-O 3.02Å; F386-Y441 CarbonylContact O-C 3.59Å; F386-Y441 WeakPolarHBondContact O-CA 3.28Å; F386-Y441 WeakPolarHBondContact O-CB 3.28Å; F386-L443 HydrophobicContact CD1-CB 4.38Å; F386-L443 HydrophobicContact CD2-CB 3.59Å; F386-L443 HydrophobicContact CE1-CB 4.3Å; F386-L443 HydrophobicContact CE1-CD2 4.39Å; F386-L443 HydrophobicContact CE2-CB 3.47Å; F386-L443 VanDerWaalsContact CE2-CB 3.47Å; F386-L443 HydrophobicContact CE2-CD2 4.14Å; F386-L443 HydrophobicContact CE2-CG 4.42Å; F386-L443 HydrophobicContact CG-CB 4.04Å; F386-L443 HydrophobicContact CZ-CB 3.86Å; F386-L443 HydrophobicContact CZ-CD2 3.81Å; F386-L443 HydrophobicContact CZ-CG 4.38Å; F386-W489 HydrophobicContact CZ-CD2 4.32Å; F386-W489 AromaticContact CZ-CE3 3.97Å; F386-W489 HydrophobicContact CZ-CE3 3.97Å
387	H	98.1	Very high	96.9	Very high	25 Å²	25	37.9 Å²	37.9	12%	0.116	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.8	170.3	-178.5	47.4	0	0	0	111.9	E196 I200 C389 M393 W394 L396	E196-H387 IonicContact OE2-CD2 2.66Å; E196-H387 IonicContact OE2-CE1 3.36Å; E196-H387 IonicContact OE2-NE2 3.58Å; E196-H387 PolarHBondContact OE2-NE2 3.44Å; I200-H387 HydrophobicContact CD1-CB 4.01Å; I200-H387 VanDerWaalsContact CD1-CD2 3.5Å; I200-H387 WeakPolarHBondContact CD1-CD2 3.49Å; I200-H387 WeakPolarHBondContact CD1-ND1 3.37Å; H387-C389 PolarHBondContact CD2-SG 2.81Å; H387-M393 VanDerWaalsContact O-CE 3.27Å; H387-M393 WeakPolarHBondContact O-CE 3.49Å; H387-W394 PolarHBondContact N-O 3.14Å; H387-W394 PolarHBondContact O-N 3.03Å; H387-L396 HydrophobicContact CB-CD1 3.73Å; H387-L396 HydrophobicContact CB-CG 4.42Å
388	E	98.3	Very high	97	Very high	41 Å²	41	42.6 Å²	42.6	19%	0.192	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	105.3	-179.7	-165.9	175	151.4	0	0	110.8	I309 G312 A313 S314 H392 M393	I309-E388 HydrophobicContact CD1-CG 3.98Å; G312-E388 VanDerWaalsContact C-OE2 3.28Å; G312-E388 VanDerWaalsContact CA-OE2 3.25Å; G312-E388 WeakPolarHBondContact CA-OE2 3.46Å; A313-E388 PolarHBondContact N-OE2 3.35Å; S314-E388 WeakPolarHBondContact CB-OE1 3.45Å; S314-E388 PolarHBondContact N-OE2 3.04Å; S314-E388 VanDerWaalsContact OG-CD 3.3Å; S314-E388 PolarHBondContact OG-OE1 2.77Å; S314-E388 PolarHBondContact OG-OE2 3.2Å; E388-H392 WeakPolarHBondContact CA-O 3.37Å; E388-M393 HydrophobicContact CB-CE 3.63Å; E388-M393 HydrophobicContact CG-CE 4.42Å
389	C	97.1	Very high	97.1	Very high	12 Å²	12	36.3 Å²	36.3	8%	0.081	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.8	170.1	58.5	0	0	0	0	111	C193 E196 H387 N391 H392 W394	C193-C389 WeakPolarHBondContact CA-SG 3.33Å; C193-C389 HydrophobicContact CB-CB 3.64Å; C193-C389 WeakPolarHBondContact CB-SG 3.4Å; C193-C389 VanDerWaalsContact SG-C 3.56Å; C193-C389 WeakPolarHBondContact SG-CB 3.19Å; C193-C389 CovalentContact SG-SG 2.04Å; C193-C389 PolarHBondContact SG-SG 3.48Å; E196-C389 WeakPolarHBondContact OE2-CB 3.4Å; H387-C389 PolarHBondContact CD2-SG 2.81Å; C389-N391 PolarHBondContact O-N 2.67Å; C389-N391 VanDerWaalsContact O-N 3.11Å; C389-H392 PolarHBondContact N-O 2.72Å; C389-H392 PolarHBondContact O-N 2.77Å; C389-H392 VanDerWaalsContact O-O 3.13Å; C389-W394 PolarHBondContact O-NE1 2.85Å
390	D	94.9	Very high	97.1	Very high	66 Å²	66	34.8 Å²	34.8	35%	0.353	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	22.8	-171.7	-65	-5.6	0	0	0	115.1	G189 S190 C193 H392	G189-D390 PolarHBondContact N-OD2 2.97Å; S190-D390 VanDerWaalsContact CB-OD1 3.26Å; S190-D390 WeakPolarHBondContact CB-OD1 3.32Å; S190-D390 WeakPolarHBondContact CB-OD2 3.42Å; S190-D390 PolarHBondContact N-OD2 2.88Å; S190-D390 VanDerWaalsContact OG-CG 3.29Å; S190-D390 PolarHBondContact OG-OD1 3.03Å; S190-D390 PolarHBondContact OG-OD2 3.37Å; C193-D390 HydrophobicContact CB-CB 4.38Å; C193-D390 VanDerWaalsContact CB-CG 3.42Å; C193-D390 WeakPolarHBondContact CB-OD1 3.41Å; C193-D390 WeakPolarHBondContact CB-OD2 3.33Å; D390-H392 VanDerWaalsContact C-N 3.31Å
391	N	95.2	Very high	97.2	Very high	92 Å²	92	35.7 Å²	35.7	49%	0.492	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	28.9	-172	-36.3	-79	0	0	0	114	V307 I309 C389	V307-N391 HydrophobicContact CG1-CB 4.25Å; V307-N391 WeakPolarHBondContact CG1-OD1 3.16Å; I309-N391 HydrophobicContact CG2-CB 4.17Å; C389-N391 PolarHBondContact O-N 2.67Å; C389-N391 VanDerWaalsContact O-N 3.11Å
392	H	97.8	Very high	97.1	Very high	31 Å²	31	36 Å²	36	14%	0.144	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.5	175.3	-169.9	96.6	0	0	0	110.8	E388 C389 D390 W394 K484 H485 I486 V487	E388-H392 WeakPolarHBondContact CA-O 3.37Å; C389-H392 PolarHBondContact N-O 2.72Å; C389-H392 PolarHBondContact O-N 2.77Å; C389-H392 VanDerWaalsContact O-O 3.13Å; D390-H392 VanDerWaalsContact C-N 3.31Å; H392-W394 HydrophobicContact CB-CH2 4.45Å; H392-W394 HydrophobicContact CB-CZ2 3.78Å; H392-W394 AromaticContact CD2-CD2 3.54Å; H392-W394 AromaticContact CD2-CE2 3.69Å; H392-W394 AromaticContact CD2-CE3 3.61Å; H392-W394 AromaticContact CD2-CZ2 3.95Å; H392-W394 AromaticContact CD2-CZ3 3.83Å; H392-W394 AromaticContact CG-CZ2 3.98Å; H392-K484 PolarHBondContact NE2-O 2.87Å; H392-H485 PolarHBondContact CE1-O 2.81Å; H392-H485 PolarHBondContact ND1-O 3.03Å; H392-H485 VanDerWaalsContact ND1-O 3.17Å; H392-H485 PolarHBondContact NE2-O 3.25Å; H392-I486 WeakPolarHBondContact CA-O 3.32Å; H392-I486 WeakPolarHBondContact CE1-CA 3.41Å; H392-I486 PolarHBondContact CE1-N 3.27Å; H392-I486 PolarHBondContact CE1-O 3.04Å; H392-I486 VanDerWaalsContact ND1-C 3.33Å; H392-I486 PolarHBondContact ND1-O 3.18Å; H392-V487 PolarHBondContact NE2-N 2.96Å
393	M	98.1	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	93.3	176.8	-178.5	99	-73.5	0	0	110.2	I309 F386 H387 E388 L443 I486 V487 D488	I309-M393 HydrophobicContact CD1-CB 4.28Å; F386-M393 HydrophobicContact CB-CE 3.96Å; F386-M393 HydrophobicContact CB-CG 4.21Å; F386-M393 HydrophobicContact CB-SD 4.07Å; F386-M393 HydrophobicContact CD1-CG 3.74Å; F386-M393 HydrophobicContact CE1-CG 4.43Å; F386-M393 HydrophobicContact CG-CG 4.25Å; H387-M393 VanDerWaalsContact O-CE 3.27Å; H387-M393 WeakPolarHBondContact O-CE 3.49Å; E388-M393 HydrophobicContact CB-CE 3.63Å; E388-M393 HydrophobicContact CG-CE 4.42Å; M393-L443 HydrophobicContact CG-CD1 3.9Å; M393-L443 HydrophobicContact SD-CD1 4.25Å; M393-I486 PolarHBondContact N-O 2.72Å; M393-V487 HydrophobicContact CB-CB 3.86Å; M393-V487 HydrophobicContact CB-CG1 3.62Å; M393-V487 HydrophobicContact CG-CB 4.44Å; M393-V487 HydrophobicContact CG-CG1 4.38Å; M393-D488 PolarHBondContact O-N 3.37Å
394	W	98.3	Very high	96.6	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.045	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.1	-176.2	-56.1	97.5	0	0	0	111.5	A184 R187 A188 C193 I197 F386 H387 C389 H392 L396 D488	A184-W394 HydrophobicContact CB-CB 4.13Å; A184-W394 HydrophobicContact CB-CD2 4.33Å; A184-W394 HydrophobicContact CB-CE3 3.85Å; A184-W394 HydrophobicContact CB-CG 4.49Å; R187-W394 HydrophobicContact CB-CH2 3.91Å; R187-W394 HydrophobicContact CB-CZ3 3.56Å; A188-W394 HydrophobicContact CB-CH2 4.09Å; A188-W394 HydrophobicContact CB-CZ2 3.83Å; C193-W394 PolarHBondContact SG-NE1 2.89Å; I197-W394 HydrophobicContact CD1-CB 4.46Å; I197-W394 HydrophobicContact CD1-CD2 4.25Å; I197-W394 HydrophobicContact CD1-CG 4Å; F386-W394 CarbonylContact C-O 3.59Å; F386-W394 WeakPolarHBondContact CA-O 3.46Å; F386-W394 WeakPolarHBondContact CD1-O 3.36Å; H387-W394 PolarHBondContact N-O 3.14Å; H387-W394 PolarHBondContact O-N 3.03Å; C389-W394 PolarHBondContact O-NE1 2.85Å; H392-W394 HydrophobicContact CB-CH2 4.45Å; H392-W394 HydrophobicContact CB-CZ2 3.78Å; H392-W394 AromaticContact CD2-CD2 3.54Å; H392-W394 AromaticContact CD2-CE2 3.69Å; H392-W394 AromaticContact CD2-CE3 3.61Å; H392-W394 AromaticContact CD2-CZ2 3.95Å; H392-W394 AromaticContact CD2-CZ3 3.83Å; H392-W394 AromaticContact CG-CZ2 3.98Å; W394-L396 HydrophobicContact CB-CD2 3.91Å; W394-D488 WeakPolarHBondContact CA-OD2 3.12Å
395	R	98.5	Very high	96.2	Very high	68 Å²	68	42.6 Å²	42.6	26%	0.257	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.5	169.6	-165.1	177.7	76.6	-130.5	2.1	109.2	D180 R384 F386 D488	D180-R395 IonicContact OD1-CZ 3.14Å; D180-R395 IonicContact OD1-NE 2.78Å; D180-R395 IonicContact OD1-NH2 3.75Å; D180-R395 PolarHBondContact OD1-NH2 2.86Å; D180-R395 IonicContact OD2-CZ 3.53Å; D180-R395 IonicContact OD2-NE 2.68Å; D180-R395 PolarHBondContact OD2-NE 2.72Å; D180-R395 IonicContact OD2-NH2 3.27Å; D180-R395 PolarHBondContact OD2-NH2 3.15Å; R384-R395 HydrophobicContact CB-CG 4.32Å; F386-R395 HydrophobicContact CD1-CB 3.96Å; F386-R395 HydrophobicContact CD1-CG 4.27Å; F386-R395 HydrophobicContact CE1-CB 3.64Å; F386-R395 HydrophobicContact CE1-CG 3.82Å; F386-R395 HydrophobicContact CZ-CB 4.34Å; F386-R395 HydrophobicContact CZ-CG 4.03Å; R395-D488 HydrophobicContact CB-CB 3.58Å; R395-D488 PolarHBondContact N-OD2 3.25Å; R395-D488 PolarHBondContact NH1-O 2.88Å
396	L	98.2	Very high	95.8	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-24.3	-171.6	-56.8	-169.5	0	0	0	113.6	A181 A184 I197 I200 V201 L385 H387 W394	A181-L396 PolarHBondContact N-O 2.82Å; A184-L396 HydrophobicContact CB-CD2 3.92Å; I197-L396 HydrophobicContact CB-CD2 4.49Å; I197-L396 HydrophobicContact CG1-CD2 4.19Å; I197-L396 HydrophobicContact CG2-CD2 3.71Å; I200-L396 HydrophobicContact CB-CD1 4.37Å; I200-L396 HydrophobicContact CG2-CD1 3.81Å; V201-L396 HydrophobicContact CG2-CB 4.11Å; V201-L396 HydrophobicContact CG2-CD1 4.14Å; L385-L396 HydrophobicContact CB-CB 4.45Å; L385-L396 HydrophobicContact CD2-CB 4.19Å; L385-L396 HydrophobicContact CD2-CD1 4.45Å; L385-L396 HydrophobicContact CG-CB 4.41Å; L385-L396 PolarHBondContact O-N 3.15Å; H387-L396 HydrophobicContact CB-CD1 3.73Å; H387-L396 HydrophobicContact CB-CG 4.42Å; W394-L396 HydrophobicContact CB-CD2 3.91Å
397	G	97.1	Very high	95.5	Very high	16 Å²	16	45.7 Å²	45.7	17%	0.165	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-157.6	176.4	0	0	0	0	0	113.2	R384 L385	R384-G397 CarbonylContact C-O 3.59Å; R384-G397 VanDerWaalsContact CA-O 3.29Å; R384-G397 WeakPolarHBondContact CA-O 3.41Å; L385-G397 PolarHBondContact N-O 2.87Å
398	E	96.6	Very high	95.2	Very high	125 Å²	125	44.9 Å²	44.9	58%	0.584	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	153	177.9	-60.1	-165.5	148.9	0	0	112.2	H204 D383 R384	H204-E398 PolarHBondContact NE2-O 2.89Å; D383-E398 WeakPolarHBondContact O-CA 3.3Å; R384-E398 IonicContact CZ-OE1 3.08Å; R384-E398 VanDerWaalsContact NH1-CG 3.31Å; R384-E398 IonicContact NH1-OE1 2.91Å; R384-E398 PolarHBondContact NH1-OE1 3.36Å; R384-E398 IonicContact NH2-OE1 2.76Å; R384-E398 PolarHBondContact NH2-OE1 3.17Å
399	R	95.9	Very high	95	Very high	16 Å²	16	42.9 Å²	42.9	6%	0.06	23%	0.231	C	C	.	.			trans	-144.5	152.7	169.9	66.4	179	-176.3	172.4	0.6	110.8	M210 L382 D383 R384 F438 Y441	M210-R399 PolarHBondContact SD-NH1 2.98Å; M210-R399 VanDerWaalsContact SD-NH1 3.35Å; L382-R399 PolarHBondContact O-NE 2.73Å; L382-R399 PolarHBondContact O-NH2 3.38Å; D383-R399 CarbonylContact C-O 3.5Å; D383-R399 PolarHBondContact O-N 2.85Å; R384-R399 PolarHBondContact O-NE 3.01Å; R399-F438 VanDerWaalsContact CZ-CE2 3.45Å; R399-F438 VanDerWaalsContact CZ-CZ 3.44Å; R399-F438 PolarHBondContact NH1-O 3.03Å; R399-Y441 PolarHBondContact NH1-O 2.98Å
400	T	95.1	Very high	95	Very high	108 Å²	108	43.1 Å²	43.1	66%	0.663	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-77.2	152.9	171.4	48.4	0	0	0	0	111.2
401	I	95.9	Very high	95.1	Very high	49 Å²	49	40.8 Å²	40.8	25%	0.251	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-76.6	138.8	161.4	-56.6	-54.8	0	0	0	107.4	I377 L382 L405 V407 F438	I377-I401 HydrophobicContact CG2-CD1 4.08Å; I377-I401 HydrophobicContact CG2-CG1 4.22Å; L382-I401 HydrophobicContact CB-CD1 4.26Å; I401-L405 HydrophobicContact CG2-CD2 4.46Å; I401-V407 HydrophobicContact CG2-CG2 3.51Å; I401-F438 HydrophobicContact CD1-CZ 3.91Å
402	P	95.8	Very high	95.2	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.032	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-61.1	141.9	178.6	-23	33.9	0	0	0	112.5	P211 R212 L214 L405 F438	P211-P402 HydrophobicContact CG-CG 4.04Å; R212-P402 CarbonylContact O-C 3.52Å; R212-P402 WeakPolarHBondContact O-CA 3.28Å; L214-P402 HydrophobicContact CD1-CB 4.11Å; L214-P402 HydrophobicContact CD1-CG 4.01Å; L214-P402 HydrophobicContact CG-CB 3.96Å; L214-P402 HydrophobicContact CG-CG 4.33Å; P402-L405 HydrophobicContact CB-CB 4.36Å; P402-L405 HydrophobicContact CG-CD2 4.29Å; P402-L405 WeakPolarHBondContact O-CB 3.25Å; P402-L405 PolarHBondContact O-N 2.86Å; P402-F438 HydrophobicContact CG-CD2 4.18Å; P402-F438 HydrophobicContact CG-CE2 4.38Å
403	E	94.6	Very high	95.3	Very high	152 Å²	152	36.7 Å²	36.7	71%	0.71	20%	0.203	S	C	*	.	B	Isolated β-bridge	trans	-62.3	146.9	172	-64.3	-178.8	178.2	0	0	111	R212 A213 L214 L405	R212-E403 PolarHBondContact O-N 2.86Å; A213-E403 CarbonylContact C-O 3.57Å; A213-E403 WeakPolarHBondContact CA-O 3.38Å; A213-E403 HydrophobicContact CB-CB 4Å; L214-E403 PolarHBondContact N-O 2.85Å; E403-L405 PolarHBondContact O-N 2.86Å
404	G	88.5	Confident	95.3	Very high	51 Å²	51	36.7 Å²	36.7	53%	0.526	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-13.3	-176	0	0	0	0	0	115.7
405	L	90.2	Very high	95.3	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.089	20%	0.201	C	C	.	.			trans	-88.4	116.7	-175.9	-173	72.7	0	0	0	113.4	L214 I401 P402 E403 V407 L431 L435 T452	L214-L405 HydrophobicContact CB-CD1 4.44Å; L214-L405 HydrophobicContact CD1-CD1 4.16Å; L214-L405 HydrophobicContact CD1-CD2 4.25Å; I401-L405 HydrophobicContact CG2-CD2 4.46Å; P402-L405 HydrophobicContact CB-CB 4.36Å; P402-L405 HydrophobicContact CG-CD2 4.29Å; P402-L405 WeakPolarHBondContact O-CB 3.25Å; P402-L405 PolarHBondContact O-N 2.86Å; E403-L405 PolarHBondContact O-N 2.86Å; L405-V407 HydrophobicContact CD2-CG2 3.7Å; L405-V407 HydrophobicContact CG-CG2 4.12Å; L405-V407 PolarHBondContact O-N 2.97Å; L405-L431 HydrophobicContact CD1-CD1 3.82Å; L405-L435 HydrophobicContact CD1-CD1 4.26Å; L405-L435 HydrophobicContact CD1-CD2 3.93Å; L405-L435 HydrophobicContact CD1-CG 4.46Å; L405-L435 HydrophobicContact CD2-CD2 3.76Å; L405-T452 HydrophobicContact CD1-CG2 3.75Å; L405-T452 HydrophobicContact CD2-CG2 4.04Å; L405-T452 HydrophobicContact CG-CG2 4.01Å
406	E	89.8	Confident	95.3	Very high	62 Å²	62	33 Å²	33	29%	0.29	19%	0.189	S	C	.	.			trans	-84.4	88	169.4	-161.4	175	173.6	0	0	110.9	Q216 F223 S408 N456	Q216-E406 PolarHBondContact NE2-OE2 2.85Å; F223-E406 WeakPolarHBondContact CD2-OE1 3.39Å; F223-E406 HydrophobicContact CE2-CG 3.8Å; F223-E406 VanDerWaalsContact CE2-OE1 3.23Å; F223-E406 WeakPolarHBondContact CE2-OE1 3.39Å; F223-E406 HydrophobicContact CZ-CG 4.37Å; E406-S408 PolarHBondContact O-N 2.99Å; E406-N456 PolarHBondContact N-OD1 2.82Å; E406-N456 PolarHBondContact O-ND2 3.41Å
407	V	91.9	Very high	95.4	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	19%	0.188	C	C	.	.			trans	-61.4	133.4	178.5	175.4	0	0	0	0	111.1	N373 I377 L382 I401 L405	N373-V407 PolarHBondContact ND2-O 2.88Å; I377-V407 HydrophobicContact CD1-CB 4.39Å; I377-V407 HydrophobicContact CD1-CG1 4.47Å; I377-V407 HydrophobicContact CG1-CG1 4.14Å; L382-V407 HydrophobicContact CD1-CG1 3.86Å; I401-V407 HydrophobicContact CG2-CG2 3.51Å; L405-V407 HydrophobicContact CD2-CG2 3.7Å; L405-V407 HydrophobicContact CG-CG2 4.12Å; L405-V407 PolarHBondContact O-N 2.97Å
408	S	90.6	Very high	95.4	Very high	8 Å²	8	34.9 Å²	34.9	6%	0.056	19%	0.191	C	C	.	.			trans	-139.1	168	174.5	-170.5	0	0	0	0	110.9	E406 S448 T452	E406-S408 PolarHBondContact O-N 2.99Å; S408-S448 WeakPolarHBondContact O-CA 3.3Å; S408-S448 WeakPolarHBondContact O-CB 3.41Å; S408-T452 PolarHBondContact N-OG1 2.97Å; S408-T452 PolarHBondContact O-OG1 3.01Å
409	G	95.3	Very high	95.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.			trans	170	176.5	-178.7	0	0	0	0	0	114.6	S368 H369 E447	S368-G409 CarbonylContact C-O 3.46Å; S368-G409 VanDerWaalsContact CA-O 3.24Å; S368-G409 WeakPolarHBondContact CA-O 3.47Å; H369-G409 PolarHBondContact CD2-O 3.12Å; H369-G409 PolarHBondContact N-O 3.29Å; G409-E447 CarbonylContact C-O 3.59Å; G409-E447 WeakPolarHBondContact CA-O 3.5Å
410	G	95.9	Very high	95.7	Very high	16 Å²	16	35.6 Å²	35.6	17%	0.165	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	171.6	-97.1	179.5	0	0	0	0	0	111.8	K367 E447	K367-G410 CarbonylContact O-C 3.57Å; K367-G410 VanDerWaalsContact O-CA 3.3Å; K367-G410 WeakPolarHBondContact O-CA 3.45Å; G410-E447 PolarHBondContact N-O 3.15Å
411	S	97.8	Very high	95.8	Very high	18 Å²	18	30.4 Å²	30.4	13%	0.126	16%	0.157	C	C	.	.			trans	-98.1	135.3	179.7	-167.6	0	0	0	0	112.5	K367 W413 H451 N467	K367-S411 PolarHBondContact O-N 2.7Å; S411-W413 PolarHBondContact O-N 3.24Å; S411-W413 PolarHBondContact OG-N 3.14Å; S411-H451 PolarHBondContact O-CE1 3.23Å; S411-N467 WeakPolarHBondContact CB-ND2 3.49Å; S411-N467 PolarHBondContact OG-ND2 3Å
412	D	98.3	Very high	96	Very high	23 Å²	23	31.3 Å²	31.3	12%	0.123	16%	0.16	C	C	.	.	S	Bend	trans	-70.3	-0.4	168.6	61.3	-39	0	0	0	114.5	N339 F414 A446 E447	N339-D412 PolarHBondContact ND2-O 3.31Å; D412-F414 VanDerWaalsContact O-CD1 3.32Å; D412-F414 WeakPolarHBondContact O-CD1 3.43Å; D412-F414 WeakPolarHBondContact O-CE1 3.48Å; D412-A446 HydrophobicContact CB-CB 4.01Å; D412-E447 HydrophobicContact CB-CG 3.76Å
413	W	98.7	Very high	96.1	Very high	14 Å²	14	33 Å²	33	5%	0.053	17%	0.166	C	C	.	.			trans	-105.2	128.2	176.5	-57.2	90.9	0	0	0	109.3	N339 L340 S411 N467 R469 R516	N339-W413 HydrophobicContact CB-CE3 4.34Å; N339-W413 HydrophobicContact CB-CZ3 4.18Å; L340-W413 VanDerWaalsContact C-CZ3 3.47Å; S411-W413 PolarHBondContact O-N 3.24Å; S411-W413 PolarHBondContact OG-N 3.14Å; W413-N467 WeakPolarHBondContact O-CB 3.42Å; W413-N467 PolarHBondContact O-ND2 2.82Å; W413-R469 HydrophobicContact CB-CG 3.86Å; W413-R516 VanDerWaalsContact CE2-NH1 3.33Å; W413-R516 VanDerWaalsContact CZ2-CZ 3.41Å
414	F	98.6	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.			trans	-155.7	171.2	-168.7	45.4	-107.9	0	0	0	112.8	Y319 M323 F337 N339 F365 L366 D412 L416 F450 R469	Y319-F414 HydrophobicContact CD2-CZ 4.4Å; M323-F414 HydrophobicContact CE-CE2 4.3Å; F337-F414 HydrophobicContact CD1-CD2 4.46Å; F337-F414 AromaticContact CD1-CE2 3.92Å; F337-F414 HydrophobicContact CD1-CE2 3.92Å; F337-F414 AromaticContact CE1-CE2 3.71Å; F337-F414 HydrophobicContact CE1-CE2 3.71Å; F337-F414 HydrophobicContact CE1-CZ 4.48Å; N339-F414 PolarHBondContact OD1-N 2.86Å; N339-F414 PolarHBondContact OD1-O 3.49Å; F365-F414 WeakPolarHBondContact O-CA 3.28Å; F365-F414 WeakPolarHBondContact O-CB 3.35Å; L366-F414 HydrophobicContact CD2-CB 3.63Å; L366-F414 HydrophobicContact CD2-CD1 3.94Å; L366-F414 HydrophobicContact CD2-CG 4.03Å; L366-F414 HydrophobicContact CG-CB 4.17Å; D412-F414 VanDerWaalsContact O-CD1 3.32Å; D412-F414 WeakPolarHBondContact O-CD1 3.43Å; D412-F414 WeakPolarHBondContact O-CE1 3.48Å; F414-L416 HydrophobicContact CD2-CD1 3.61Å; F414-L416 HydrophobicContact CD2-CD2 4.4Å; F414-L416 HydrophobicContact CD2-CG 3.63Å; F414-L416 HydrophobicContact CE2-CD1 3.58Å; F414-L416 HydrophobicContact CE2-CG 4.12Å; F414-L416 HydrophobicContact CG-CD1 4.36Å; F414-L416 HydrophobicContact CG-CG 4.3Å; F414-L416 HydrophobicContact CZ-CD1 4.35Å; F414-F450 HydrophobicContact CD1-CD2 4.29Å; F414-F450 AromaticContact CE1-CD2 3.47Å; F414-F450 HydrophobicContact CE1-CD2 3.47Å; F414-F450 VanDerWaalsContact CE1-CD2 3.47Å; F414-F450 AromaticContact CE1-CE2 3.72Å; F414-F450 HydrophobicContact CE1-CE2 3.72Å; F414-F450 HydrophobicContact CE1-CG 4.27Å; F414-F450 HydrophobicContact CE2-CE2 4.49Å; F414-F450 AromaticContact CZ-CD2 3.63Å; F414-F450 HydrophobicContact CZ-CD2 3.63Å; F414-F450 AromaticContact CZ-CE2 3.48Å; F414-F450 HydrophobicContact CZ-CE2 3.48Å; F414-F450 VanDerWaalsContact CZ-CE2 3.48Å; F414-F450 HydrophobicContact CZ-CG 4.33Å; F414-F450 HydrophobicContact CZ-CZ 4.06Å; F414-R469 PolarHBondContact O-NH2 3.11Å
415	S	98.6	Very high	96.8	Very high	1 Å²	1	24 Å²	24	1%	0.007	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.9	164.6	-50.3	0	0	0	0	108.2	F337 F365	F337-S415 WeakPolarHBondContact O-CA 3.37Å; F365-S415 PolarHBondContact N-O 3.3Å; F365-S415 PolarHBondContact O-N 2.95Å; F365-S415 VanDerWaalsContact O-N 3.08Å
416	L	98.8	Very high	97.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.2	-173.4	-58.2	173	0	0	0	111	M323 F336 F337 N364 L366 F414 F420 V421 F450	M323-L416 HydrophobicContact CE-CD1 3.97Å; F336-L416 CarbonylContact C-O 3.58Å; F336-L416 WeakPolarHBondContact CA-O 3.34Å; F337-L416 PolarHBondContact N-O 3.39Å; F337-L416 PolarHBondContact O-N 3.12Å; N364-L416 HydrophobicContact CB-CD2 4.26Å; L366-L416 HydrophobicContact CD1-CD2 3.86Å; L366-L416 HydrophobicContact CD2-CD2 4.44Å; L366-L416 HydrophobicContact CG-CD2 4.01Å; F414-L416 HydrophobicContact CD2-CD1 3.61Å; F414-L416 HydrophobicContact CD2-CD2 4.4Å; F414-L416 HydrophobicContact CD2-CG 3.63Å; F414-L416 HydrophobicContact CE2-CD1 3.58Å; F414-L416 HydrophobicContact CE2-CG 4.12Å; F414-L416 HydrophobicContact CG-CD1 4.36Å; F414-L416 HydrophobicContact CG-CG 4.3Å; F414-L416 HydrophobicContact CZ-CD1 4.35Å; L416-F420 HydrophobicContact CB-CD1 4.31Å; L416-F420 HydrophobicContact CD1-CD1 4.18Å; L416-F420 HydrophobicContact CD1-CE1 4.2Å; L416-F420 HydrophobicContact CD2-CD1 3.89Å; L416-F420 HydrophobicContact CD2-CE1 4.04Å; L416-F420 HydrophobicContact CG-CD1 4.33Å; L416-V421 HydrophobicContact CB-CG2 4.09Å; L416-F450 HydrophobicContact CD1-CD1 3.79Å; L416-F450 HydrophobicContact CD1-CE1 4.19Å; L416-F450 HydrophobicContact CD1-CG 4.2Å
417	T	98.8	Very high	97.5	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	146.8	173.6	60.4	0	0	0	0	111.2	F336 R361 Q363 N364 R419 F420 V421	F336-T417 HydrophobicContact CE1-CG2 3.89Å; F336-T417 HydrophobicContact CZ-CG2 4.17Å; R361-T417 VanDerWaalsContact O-CG2 3.24Å; R361-T417 WeakPolarHBondContact O-CG2 3.5Å; Q363-T417 VanDerWaalsContact O-CG2 3.31Å; Q363-T417 WeakPolarHBondContact O-CG2 3.4Å; N364-T417 PolarHBondContact ND2-OG1 3.32Å; N364-T417 PolarHBondContact OD1-N 3.31Å; N364-T417 PolarHBondContact OD1-OG1 2.7Å; T417-R419 PolarHBondContact O-N 2.79Å; T417-F420 PolarHBondContact O-N 3.14Å; T417-F420 WeakPolarHBondContact OG1-CB 3.41Å; T417-F420 PolarHBondContact OG1-N 3.35Å; T417-V421 WeakPolarHBondContact O-CG2 3.4Å; T417-V421 PolarHBondContact O-N 2.93Å; T417-V421 VanDerWaalsContact O-N 3.08Å
418	R	98.7	Very high	97.6	Very high	58 Å²	58	33.7 Å²	33.7	22%	0.219	16%	0.161	C	C	.	.	H	α-helix	trans	-53.9	-42.7	172.3	178.1	166.4	174.5	126.5	10.5	112.2	L327 W334 D335 F420 V421 E422	L327-R418 HydrophobicContact CD2-CG 4.15Å; W334-R418 HydrophobicContact CE3-CB 3.9Å; W334-R418 HydrophobicContact CE3-CG 4.3Å; W334-R418 HydrophobicContact CH2-CB 4.02Å; W334-R418 HydrophobicContact CH2-CG 3.89Å; W334-R418 HydrophobicContact CZ2-CG 4.27Å; W334-R418 HydrophobicContact CZ3-CB 3.54Å; W334-R418 HydrophobicContact CZ3-CG 3.92Å; W334-R418 WeakPolarHBondContact O-CD 3.2Å; D335-R418 WeakPolarHBondContact O-CB 3.44Å; D335-R418 PolarHBondContact O-N 2.97Å; R418-F420 VanDerWaalsContact C-N 3.35Å; R418-F420 PolarHBondContact O-N 3.39Å; R418-V421 CarbonylContact O-C 3.57Å; R418-V421 PolarHBondContact O-N 2.73Å; R418-V421 VanDerWaalsContact O-N 3.11Å; R418-E422 HydrophobicContact CG-CG 4.23Å; R418-E422 IonicContact CZ-OE1 3.61Å; R418-E422 VanDerWaalsContact CZ-OE1 3.3Å; R418-E422 IonicContact NE-OE1 2.69Å; R418-E422 PolarHBondContact NE-OE1 2.9Å; R418-E422 IonicContact NH2-OE1 2.8Å; R418-E422 PolarHBondContact NH2-OE1 3.22Å; R418-E422 WeakPolarHBondContact O-CG 3.32Å; R418-E422 PolarHBondContact O-N 2.93Å
419	R	98.5	Very high	97.8	Very high	156 Å²	156	34.9 Å²	34.9	59%	0.589	17%	0.167	S	C	*	.	H	α-helix	trans	-56.5	-43.2	177.5	-176.6	-179.2	169.6	-166.6	-4.4	112.9	D362 T417 Y423 M459	D362-R419 IonicContact OD1-NH1 3.25Å; T417-R419 PolarHBondContact O-N 2.79Å; R419-Y423 PolarHBondContact O-N 3.37Å; R419-Y423 VanDerWaalsContact O-N 3.12Å; R419-M459 HydrophobicContact CB-CE 4.3Å; R419-M459 HydrophobicContact CG-CE 3.83Å; R419-M459 HydrophobicContact CG-SD 4.34Å
420	F	98.7	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.2	-36.8	176.2	179.4	-117.7	0	0	0	112.1	N364 L416 T417 R418 Y423 V424 F450 V453 L454 M459	N364-F420 WeakPolarHBondContact OD1-CB 3.21Å; L416-F420 HydrophobicContact CB-CD1 4.31Å; L416-F420 HydrophobicContact CD1-CD1 4.18Å; L416-F420 HydrophobicContact CD1-CE1 4.2Å; L416-F420 HydrophobicContact CD2-CD1 3.89Å; L416-F420 HydrophobicContact CD2-CE1 4.04Å; L416-F420 HydrophobicContact CG-CD1 4.33Å; T417-F420 PolarHBondContact O-N 3.14Å; T417-F420 WeakPolarHBondContact OG1-CB 3.41Å; T417-F420 PolarHBondContact OG1-N 3.35Å; R418-F420 VanDerWaalsContact C-N 3.35Å; R418-F420 PolarHBondContact O-N 3.39Å; F420-Y423 HydrophobicContact CD2-CD1 4.13Å; F420-Y423 HydrophobicContact CE2-CD1 4.06Å; F420-Y423 PolarHBondContact O-N 3.15Å; F420-V424 HydrophobicContact CD1-CG2 4.2Å; F420-V424 HydrophobicContact CD2-CG2 4.18Å; F420-V424 HydrophobicContact CE1-CG2 3.75Å; F420-V424 HydrophobicContact CE2-CG2 3.72Å; F420-V424 HydrophobicContact CG-CG2 4.41Å; F420-V424 HydrophobicContact CZ-CG2 3.48Å; F420-V424 VanDerWaalsContact CZ-CG2 3.48Å; F420-V424 VanDerWaalsContact O-CG2 3.3Å; F420-V424 WeakPolarHBondContact O-CG2 3.47Å; F420-V424 PolarHBondContact O-N 3.45Å; F420-F450 HydrophobicContact CE1-CD1 4.29Å; F420-V453 HydrophobicContact CE2-CG1 4.04Å; F420-V453 HydrophobicContact CZ-CB 4.3Å; F420-V453 HydrophobicContact CZ-CG1 4.04Å; F420-L454 HydrophobicContact CD2-CD1 3.66Å; F420-L454 HydrophobicContact CE1-CB 4.33Å; F420-L454 HydrophobicContact CE2-CB 3.83Å; F420-L454 HydrophobicContact CE2-CD1 3.59Å; F420-L454 HydrophobicContact CE2-CG 4.3Å; F420-L454 HydrophobicContact CG-CD1 4.23Å; F420-L454 HydrophobicContact CZ-CB 3.62Å; F420-L454 HydrophobicContact CZ-CD1 4.11Å; F420-L454 HydrophobicContact CZ-CG 4.39Å; F420-M459 HydrophobicContact CB-CE 3.89Å; F420-M459 HydrophobicContact CB-SD 4.49Å; F420-M459 HydrophobicContact CD2-SD 4.31Å
421	V	98.8	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-40.9	174.2	175.7	0	0	0	0	111.4	M323 L327 W334 F337 L416 T417 R418 Y423 V424 I425	M323-V421 HydrophobicContact CB-CG1 3.58Å; M323-V421 HydrophobicContact CE-CG2 4.18Å; M323-V421 HydrophobicContact CG-CG1 3.56Å; M323-V421 HydrophobicContact CG-CG2 4.46Å; M323-V421 HydrophobicContact SD-CG1 3.92Å; M323-V421 HydrophobicContact SD-CG2 4.27Å; L327-V421 HydrophobicContact CD1-CG1 4.22Å; L327-V421 HydrophobicContact CG-CG1 4.41Å; W334-V421 HydrophobicContact CH2-CB 3.98Å; W334-V421 HydrophobicContact CH2-CG1 3.89Å; W334-V421 HydrophobicContact CH2-CG2 4.28Å; F337-V421 HydrophobicContact CB-CG2 4.14Å; L416-V421 HydrophobicContact CB-CG2 4.09Å; T417-V421 WeakPolarHBondContact O-CG2 3.4Å; T417-V421 PolarHBondContact O-N 2.93Å; T417-V421 VanDerWaalsContact O-N 3.08Å; R418-V421 CarbonylContact O-C 3.57Å; R418-V421 PolarHBondContact O-N 2.73Å; R418-V421 VanDerWaalsContact O-N 3.11Å; V421-Y423 VanDerWaalsContact C-N 3.35Å; V421-Y423 PolarHBondContact O-N 2.71Å; V421-V424 PolarHBondContact O-N 3.3Å; V421-I425 HydrophobicContact CG1-CG1 4.28Å; V421-I425 WeakPolarHBondContact O-CB 3.16Å; V421-I425 WeakPolarHBondContact O-CG1 3.39Å; V421-I425 PolarHBondContact O-N 2.9Å
422	E	98.6	Very high	97.9	Very high	68 Å²	68	40 Å²	40	32%	0.318	18%	0.184	S	C	.	.	H	α-helix	trans	-61.1	-41.3	174.2	-74.9	173.3	163.8	0	0	111.8	L327 R418 N426	L327-E422 HydrophobicContact CD1-CB 4.49Å; L327-E422 HydrophobicContact CD1-CG 3.85Å; L327-E422 HydrophobicContact CD2-CG 3.37Å; L327-E422 HydrophobicContact CG-CG 4.25Å; R418-E422 HydrophobicContact CG-CG 4.23Å; R418-E422 IonicContact CZ-OE1 3.61Å; R418-E422 VanDerWaalsContact CZ-OE1 3.3Å; R418-E422 IonicContact NE-OE1 2.69Å; R418-E422 PolarHBondContact NE-OE1 2.9Å; R418-E422 IonicContact NH2-OE1 2.8Å; R418-E422 PolarHBondContact NH2-OE1 3.22Å; R418-E422 WeakPolarHBondContact O-CG 3.32Å; R418-E422 PolarHBondContact O-N 2.93Å; E422-N426 VanDerWaalsContact O-CB 3.26Å; E422-N426 WeakPolarHBondContact O-CB 3.16Å; E422-N426 PolarHBondContact O-N 3.48Å; E422-N426 PolarHBondContact O-ND2 3.21Å
423	Y	98.6	Very high	97.8	Very high	39 Å²	39	41.3 Å²	41.3	15%	0.153	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-51.6	172.1	173.6	-107.3	0	0	0	112.3	R419 F420 V421 I425 S427 D429 V432 V453	R419-Y423 PolarHBondContact O-N 3.37Å; R419-Y423 VanDerWaalsContact O-N 3.12Å; F420-Y423 HydrophobicContact CD2-CD1 4.13Å; F420-Y423 HydrophobicContact CE2-CD1 4.06Å; F420-Y423 PolarHBondContact O-N 3.15Å; V421-Y423 VanDerWaalsContact C-N 3.35Å; V421-Y423 PolarHBondContact O-N 2.71Å; Y423-I425 VanDerWaalsContact C-N 3.28Å; Y423-I425 PolarHBondContact O-N 2.61Å; Y423-S427 WeakPolarHBondContact O-CB 3.25Å; Y423-S427 PolarHBondContact O-N 2.85Å; Y423-D429 WeakPolarHBondContact CE2-OD2 3.09Å; Y423-D429 VanDerWaalsContact CZ-OD2 3.26Å; Y423-D429 PolarHBondContact OH-OD2 2.98Å; Y423-V432 HydrophobicContact CD1-CG2 4.39Å; Y423-V432 HydrophobicContact CE1-CG2 3.67Å; Y423-V432 HydrophobicContact CE2-CG2 4.29Å; Y423-V453 HydrophobicContact CD1-CG1 4.45Å; Y423-V453 HydrophobicContact CE1-CG1 3.95Å
424	V	98.6	Very high	97.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-38.9	179.7	167.1	0	0	0	0	112.2	L320 F420 V421 V432 K436 F449 F450 V453	L320-V424 HydrophobicContact CD2-CG1 3.61Å; F420-V424 HydrophobicContact CD1-CG2 4.2Å; F420-V424 HydrophobicContact CD2-CG2 4.18Å; F420-V424 HydrophobicContact CE1-CG2 3.75Å; F420-V424 HydrophobicContact CE2-CG2 3.72Å; F420-V424 HydrophobicContact CG-CG2 4.41Å; F420-V424 HydrophobicContact CZ-CG2 3.48Å; F420-V424 VanDerWaalsContact CZ-CG2 3.48Å; F420-V424 VanDerWaalsContact O-CG2 3.3Å; F420-V424 WeakPolarHBondContact O-CG2 3.47Å; F420-V424 PolarHBondContact O-N 3.45Å; V421-V424 PolarHBondContact O-N 3.3Å; V424-V432 WeakPolarHBondContact O-CG1 3.43Å; V424-K436 WeakPolarHBondContact O-CE 3.34Å; V424-K436 PolarHBondContact O-NZ 3.21Å; V424-F449 HydrophobicContact CG1-CE1 3.85Å; V424-F449 HydrophobicContact CG1-CZ 4.16Å; V424-F450 HydrophobicContact CG1-CE1 4.31Å; V424-V453 HydrophobicContact CG2-CG1 4.03Å
425	I	98.5	Very high	97.7	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.077	20%	0.201	C	C	.	.	H	α-helix	trans	-82	-57.5	-178.5	-64	-58.4	0	0	0	111.2	L320 M323 Q324 L327 V421 Y423 K436	L320-I425 HydrophobicContact CB-CD1 4.28Å; L320-I425 HydrophobicContact CD2-CD1 3.94Å; L320-I425 VanDerWaalsContact O-CD1 3.31Å; L320-I425 WeakPolarHBondContact O-CD1 3.49Å; M323-I425 HydrophobicContact CB-CD1 3.77Å; M323-I425 HydrophobicContact CB-CG1 3.8Å; Q324-I425 HydrophobicContact CB-CG2 4.32Å; L327-I425 HydrophobicContact CD1-CB 3.96Å; L327-I425 HydrophobicContact CD1-CG1 4.13Å; L327-I425 HydrophobicContact CD1-CG2 4.18Å; V421-I425 HydrophobicContact CG1-CG1 4.28Å; V421-I425 WeakPolarHBondContact O-CB 3.16Å; V421-I425 WeakPolarHBondContact O-CG1 3.39Å; V421-I425 PolarHBondContact O-N 2.9Å; Y423-I425 VanDerWaalsContact C-N 3.28Å; Y423-I425 PolarHBondContact O-N 2.61Å; I425-K436 PolarHBondContact O-NZ 3.25Å
426	N	98	Very high	97.7	Very high	90 Å²	90	43.9 Å²	43.9	48%	0.481	21%	0.213	S	C	.	.	H	α-helix	trans	-85.6	-20.9	-166.7	-59.9	-37.6	0	0	0	114.4	E422 Q428	E422-N426 VanDerWaalsContact O-CB 3.26Å; E422-N426 WeakPolarHBondContact O-CB 3.16Å; E422-N426 PolarHBondContact O-N 3.48Å; E422-N426 PolarHBondContact O-ND2 3.21Å; N426-Q428 PolarHBondContact O-N 3.45Å; N426-Q428 PolarHBondContact O-NE2 2.71Å
427	S	96.8	Very high	97.6	Very high	27 Å²	27	47.3 Å²	47.3	19%	0.189	23%	0.229	C	C	.	.			trans	-64.6	139.2	-176.5	-167.9	0	0	0	0	112.3	Y423 D429	Y423-S427 WeakPolarHBondContact O-CB 3.25Å; Y423-S427 PolarHBondContact O-N 2.85Å; S427-D429 WeakPolarHBondContact CB-OD2 3.5Å; S427-D429 VanDerWaalsContact OG-CG 3.28Å; S427-D429 PolarHBondContact OG-N 3.03Å; S427-D429 PolarHBondContact OG-OD2 3.3Å
428	Q	93.9	Very high	97.6	Very high	168 Å²	168	47 Å²	47	79%	0.785	23%	0.227	S	C	*	.			trans	-106.9	11.6	175.6	-52.5	-55.3	-57.2	0	0	111.9	N426	N426-Q428 PolarHBondContact O-N 3.45Å; N426-Q428 PolarHBondContact O-NE2 2.71Å
429	D	95.4	Very high	97.6	Very high	32 Å²	32	44.3 Å²	44.3	17%	0.171	22%	0.217	C	C	.	.	S	Bend	trans	-67.6	156.2	175.8	72.7	61.2	0	0	0	112.6	F217 Y423 S427 L431 V432 A433	F217-D429 HydrophobicContact CE2-CB 3.96Å; F217-D429 HydrophobicContact CZ-CB 4.3Å; Y423-D429 WeakPolarHBondContact CE2-OD2 3.09Å; Y423-D429 VanDerWaalsContact CZ-OD2 3.26Å; Y423-D429 PolarHBondContact OH-OD2 2.98Å; S427-D429 WeakPolarHBondContact CB-OD2 3.5Å; S427-D429 VanDerWaalsContact OG-CG 3.28Å; S427-D429 PolarHBondContact OG-N 3.03Å; S427-D429 PolarHBondContact OG-OD2 3.3Å; D429-L431 VanDerWaalsContact C-N 3.26Å; D429-L431 PolarHBondContact O-N 3.4Å; D429-L431 WeakPolarHBondContact OD1-CA 3.27Å; D429-L431 VanDerWaalsContact OD1-CB 3.31Å; D429-L431 WeakPolarHBondContact OD1-CB 3.48Å; D429-L431 PolarHBondContact OD1-N 3.04Å; D429-V432 PolarHBondContact O-N 3.09Å; D429-V432 PolarHBondContact OD1-N 3.23Å; D429-A433 WeakPolarHBondContact O-CB 3.41Å; D429-A433 PolarHBondContact O-N 3.03Å
430	E	96.1	Very high	97.5	Very high	142 Å²	142	40.3 Å²	40.3	66%	0.664	21%	0.21	S	C	*	.	H	α-helix	trans	-64.2	-29	-175.1	-60.4	-176	160.4	0	0	113.1	L214 P215 G434	L214-E430 WeakPolarHBondContact CD2-O 3.46Å; P215-E430 HydrophobicContact CG-CB 4.03Å; E430-G434 WeakPolarHBondContact O-CA 3.44Å; E430-G434 PolarHBondContact O-N 3.26Å
431	L	96.8	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-53.2	177.6	173.7	68.8	0	0	0	110.1	P215 F217 L405 D429 L435 N456	P215-L431 HydrophobicContact CG-CB 4.24Å; F217-L431 HydrophobicContact CD2-CB 4.02Å; F217-L431 HydrophobicContact CD2-CD2 3.92Å; F217-L431 HydrophobicContact CE2-CB 3.74Å; L405-L431 HydrophobicContact CD1-CD1 3.82Å; D429-L431 VanDerWaalsContact C-N 3.26Å; D429-L431 PolarHBondContact O-N 3.4Å; D429-L431 WeakPolarHBondContact OD1-CA 3.27Å; D429-L431 VanDerWaalsContact OD1-CB 3.31Å; D429-L431 WeakPolarHBondContact OD1-CB 3.48Å; D429-L431 PolarHBondContact OD1-N 3.04Å; L431-L435 HydrophobicContact CD1-CD1 3.52Å; L431-L435 HydrophobicContact CD1-CG 4.02Å; L431-L435 HydrophobicContact CG-CD1 4.02Å; L431-L435 WeakPolarHBondContact O-CB 3.07Å; L431-L435 WeakPolarHBondContact O-CG 3.45Å; L431-L435 PolarHBondContact O-N 3.1Å; L431-N456 HydrophobicContact CD1-CB 3.84Å; L431-N456 HydrophobicContact CD2-CB 3.68Å; L431-N456 WeakPolarHBondContact CD2-O 3.39Å; L431-N456 HydrophobicContact CG-CB 4.42Å
432	V	97.8	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-43.2	-178.8	172.7	0	0	0	0	110.9	Y423 V424 D429 K436 V453	Y423-V432 HydrophobicContact CD1-CG2 4.39Å; Y423-V432 HydrophobicContact CE1-CG2 3.67Å; Y423-V432 HydrophobicContact CE2-CG2 4.29Å; V424-V432 WeakPolarHBondContact O-CG1 3.43Å; D429-V432 PolarHBondContact O-N 3.09Å; D429-V432 PolarHBondContact OD1-N 3.23Å; V432-K436 HydrophobicContact CG1-CD 4.06Å; V432-K436 VanDerWaalsContact CG1-CE 3.5Å; V432-K436 WeakPolarHBondContact O-CB 3.33Å; V432-K436 WeakPolarHBondContact O-CD 3.24Å; V432-K436 VanDerWaalsContact O-CG 3.22Å; V432-K436 WeakPolarHBondContact O-CG 3.41Å; V432-K436 PolarHBondContact O-N 3.19Å; V432-V453 HydrophobicContact CG2-CG1 4.14Å
433	A	97.1	Very high	97.4	Very high	51 Å²	51	38.8 Å²	38.8	42%	0.421	20%	0.201	S	C	.	.	H	α-helix	trans	-64.9	-47.5	176.5	0	0	0	0	0	112	D429 K436 Q437	D429-A433 WeakPolarHBondContact O-CB 3.41Å; D429-A433 PolarHBondContact O-N 3.03Å; A433-K436 PolarHBondContact O-N 3.44Å; A433-Q437 PolarHBondContact O-N 3.19Å; A433-Q437 VanDerWaalsContact O-N 3.12Å
434	G	97.4	Very high	97.4	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-36.5	179.4	0	0	0	0	0	113.5	E430 Q437 F438	E430-G434 WeakPolarHBondContact O-CA 3.44Å; E430-G434 PolarHBondContact O-N 3.26Å; G434-Q437 PolarHBondContact O-N 3.27Å; G434-F438 WeakPolarHBondContact O-CB 3.44Å; G434-F438 PolarHBondContact O-N 3.4Å
435	L	97.9	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.8	-35.7	174.6	-70.2	-179.6	0	0	0	112.7	L214 L405 L431 Q437 F438 Y439 F449 T452 V453	L214-L435 HydrophobicContact CD1-CD2 3.69Å; L214-L435 HydrophobicContact CD1-CG 4.02Å; L405-L435 HydrophobicContact CD1-CD1 4.26Å; L405-L435 HydrophobicContact CD1-CD2 3.93Å; L405-L435 HydrophobicContact CD1-CG 4.46Å; L405-L435 HydrophobicContact CD2-CD2 3.76Å; L431-L435 HydrophobicContact CD1-CD1 3.52Å; L431-L435 HydrophobicContact CD1-CG 4.02Å; L431-L435 HydrophobicContact CG-CD1 4.02Å; L431-L435 WeakPolarHBondContact O-CB 3.07Å; L431-L435 WeakPolarHBondContact O-CG 3.45Å; L431-L435 PolarHBondContact O-N 3.1Å; L435-Q437 VanDerWaalsContact C-N 3.28Å; L435-Q437 PolarHBondContact O-N 3.36Å; L435-F438 PolarHBondContact O-N 2.72Å; L435-Y439 HydrophobicContact CB-CD2 4.34Å; L435-Y439 HydrophobicContact CD2-CD2 4.25Å; L435-Y439 HydrophobicContact CD2-CE2 4.03Å; L435-Y439 WeakPolarHBondContact O-CB 3.49Å; L435-Y439 WeakPolarHBondContact O-CD2 3.3Å; L435-Y439 PolarHBondContact O-N 3Å; L435-F449 HydrophobicContact CB-CE2 4.24Å; L435-T452 HydrophobicContact CD1-CG2 3.93Å; L435-T452 HydrophobicContact CD2-CG2 4.12Å; L435-V453 HydrophobicContact CB-CG2 4.18Å; L435-V453 HydrophobicContact CD1-CB 4.29Å; L435-V453 HydrophobicContact CD1-CG2 3.54Å
436	K	98	Very high	97.4	Very high	58 Å²	58	37.5 Å²	37.5	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-57	-43	169.5	-76.7	165.4	-179.9	167.8	0	110.7	V424 I425 V432 A433 T440 F449	V424-K436 WeakPolarHBondContact O-CE 3.34Å; V424-K436 PolarHBondContact O-NZ 3.21Å; I425-K436 PolarHBondContact O-NZ 3.25Å; V432-K436 HydrophobicContact CG1-CD 4.06Å; V432-K436 VanDerWaalsContact CG1-CE 3.5Å; V432-K436 WeakPolarHBondContact O-CB 3.33Å; V432-K436 WeakPolarHBondContact O-CD 3.24Å; V432-K436 VanDerWaalsContact O-CG 3.22Å; V432-K436 WeakPolarHBondContact O-CG 3.41Å; V432-K436 PolarHBondContact O-N 3.19Å; A433-K436 PolarHBondContact O-N 3.44Å; K436-T440 PolarHBondContact O-N 3.28Å; K436-T440 PolarHBondContact O-OG1 3.12Å; K436-F449 HydrophobicContact CG-CE2 4.29Å; K436-F449 HydrophobicContact CG-CZ 4.34Å
437	Q	97.1	Very high	97.4	Very high	73 Å²	73	34.6 Å²	34.6	34%	0.341	18%	0.181	S	C	.	.	H	α-helix	trans	-67.1	-49.3	174.5	179.8	63.6	5.5	0	0	112.8	L209 A433 G434 L435 Y439 T440	L209-Q437 WeakPolarHBondContact O-CG 3.49Å; L209-Q437 PolarHBondContact O-NE2 2.58Å; A433-Q437 PolarHBondContact O-N 3.19Å; A433-Q437 VanDerWaalsContact O-N 3.12Å; G434-Q437 PolarHBondContact O-N 3.27Å; L435-Q437 VanDerWaalsContact C-N 3.28Å; L435-Q437 PolarHBondContact O-N 3.36Å; Q437-Y439 PolarHBondContact O-N 3.03Å; Q437-T440 WeakPolarHBondContact O-CB 3.36Å; Q437-T440 PolarHBondContact O-N 3.41Å
438	F	97.8	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-41.6	-178.8	178.8	-94.2	0	0	0	112.7	M210 P211 R399 I401 P402 G434 L435	M210-F438 HydrophobicContact SD-CD2 3.95Å; P211-F438 HydrophobicContact CG-CB 4.34Å; R399-F438 VanDerWaalsContact CZ-CE2 3.45Å; R399-F438 VanDerWaalsContact CZ-CZ 3.44Å; R399-F438 PolarHBondContact NH1-O 3.03Å; I401-F438 HydrophobicContact CD1-CZ 3.91Å; P402-F438 HydrophobicContact CG-CD2 4.18Å; P402-F438 HydrophobicContact CG-CE2 4.38Å; G434-F438 WeakPolarHBondContact O-CB 3.44Å; G434-F438 PolarHBondContact O-N 3.4Å; L435-F438 PolarHBondContact O-N 2.72Å
439	Y	98.3	Very high	97.7	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-84.3	-8.5	-178.2	-79.8	-73.9	0	0	0	114.8	L382 L435 Q437 Y441 A442 P445 S448 F449 T452	L382-Y439 HydrophobicContact CD2-CE1 3.83Å; L435-Y439 HydrophobicContact CB-CD2 4.34Å; L435-Y439 HydrophobicContact CD2-CD2 4.25Å; L435-Y439 HydrophobicContact CD2-CE2 4.03Å; L435-Y439 WeakPolarHBondContact O-CB 3.49Å; L435-Y439 WeakPolarHBondContact O-CD2 3.3Å; L435-Y439 PolarHBondContact O-N 3Å; Q437-Y439 PolarHBondContact O-N 3.03Å; Y439-Y441 PolarHBondContact O-N 2.72Å; Y439-A442 HydrophobicContact CD1-CB 3.82Å; Y439-A442 HydrophobicContact CE1-CB 4.46Å; Y439-P445 HydrophobicContact CD1-CB 3.61Å; Y439-P445 HydrophobicContact CE1-CB 4.49Å; Y439-P445 HydrophobicContact CG-CB 4.3Å; Y439-S448 WeakPolarHBondContact CE1-OG 3.4Å; Y439-S448 VanDerWaalsContact OH-CB 3.29Å; Y439-S448 WeakPolarHBondContact OH-CB 3.45Å; Y439-S448 PolarHBondContact OH-O 2.89Å; Y439-S448 PolarHBondContact OH-OG 3.42Å; Y439-S448 VanDerWaalsContact OH-OG 3.07Å; Y439-F449 HydrophobicContact CD1-CB 4.26Å; Y439-F449 HydrophobicContact CD2-CB 4.03Å; Y439-F449 AromaticContact CD2-CD2 3.58Å; Y439-F449 HydrophobicContact CD2-CD2 3.58Å; Y439-F449 HydrophobicContact CD2-CG 4.28Å; Y439-F449 HydrophobicContact CE1-CB 4.48Å; Y439-F449 HydrophobicContact CE2-CB 4.24Å; Y439-F449 HydrophobicContact CE2-CD2 4.35Å; Y439-F449 HydrophobicContact CG-CB 4.01Å; Y439-F449 AromaticContact CG-CD2 3.88Å; Y439-F449 HydrophobicContact CG-CD2 3.88Å; Y439-F449 HydrophobicContact CG-CG 4.45Å; Y439-T452 PolarHBondContact OH-OG1 2.8Å
440	T	97.9	Very high	97.8	Very high	71 Å²	71	23.9 Å²	23.9	44%	0.436	13%	0.127	S	C	.	.	H	α-helix	trans	-63.3	-29.7	167	-67.3	0	0	0	0	111.7	K436 Q437	K436-T440 PolarHBondContact O-N 3.28Å; K436-T440 PolarHBondContact O-OG1 3.12Å; Q437-T440 WeakPolarHBondContact O-CB 3.36Å; Q437-T440 PolarHBondContact O-N 3.41Å
441	Y	98.1	Very high	97.9	Very high	36 Å²	36	17.1 Å²	17.1	14%	0.141	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	35.8	-176	-58.9	-80	0	0	0	113.2	I200 L209 M210 L385 F386 R399 Y439	I200-Y441 HydrophobicContact CD1-CE1 3.82Å; I200-Y441 HydrophobicContact CG1-CE1 3.98Å; I200-Y441 HydrophobicContact CG2-CD1 4.11Å; I200-Y441 HydrophobicContact CG2-CE1 3.98Å; L209-Y441 HydrophobicContact CD1-CD2 4.47Å; L209-Y441 HydrophobicContact CD1-CE2 3.85Å; L209-Y441 HydrophobicContact CD2-CD2 4.48Å; L209-Y441 HydrophobicContact CD2-CG 4.49Å; L209-Y441 HydrophobicContact CG-CD2 4.46Å; L209-Y441 HydrophobicContact CG-CE2 4.31Å; M210-Y441 HydrophobicContact CE-CD2 3.58Å; M210-Y441 HydrophobicContact CE-CE2 4.47Å; M210-Y441 HydrophobicContact CE-CG 4.13Å; L385-Y441 HydrophobicContact CD1-CG 4.28Å; F386-Y441 PolarHBondContact N-O 3.02Å; F386-Y441 CarbonylContact O-C 3.59Å; F386-Y441 WeakPolarHBondContact O-CA 3.28Å; F386-Y441 WeakPolarHBondContact O-CB 3.28Å; R399-Y441 PolarHBondContact NH1-O 2.98Å; Y439-Y441 PolarHBondContact O-N 2.72Å
442	A	98	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.			trans	-123.9	144.3	-176	0	0	0	0	0	112	L382 Y439 P445	L382-A442 HydrophobicContact CD2-CB 4.48Å; Y439-A442 HydrophobicContact CD1-CB 3.82Å; Y439-A442 HydrophobicContact CE1-CB 4.46Å; A442-P445 HydrophobicContact CB-CB 4.32Å; A442-P445 WeakPolarHBondContact O-CD 3.4Å
443	L	98.3	Very high	97.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.095	C	C	.	.	S	Bend	trans	-74	143.9	167	175.4	71.2	0	0	0	110.3	F386 M393 P445 V487 W489	F386-L443 HydrophobicContact CD1-CB 4.38Å; F386-L443 HydrophobicContact CD2-CB 3.59Å; F386-L443 HydrophobicContact CE1-CB 4.3Å; F386-L443 HydrophobicContact CE1-CD2 4.39Å; F386-L443 HydrophobicContact CE2-CB 3.47Å; F386-L443 VanDerWaalsContact CE2-CB 3.47Å; F386-L443 HydrophobicContact CE2-CD2 4.14Å; F386-L443 HydrophobicContact CE2-CG 4.42Å; F386-L443 HydrophobicContact CG-CB 4.04Å; F386-L443 HydrophobicContact CZ-CB 3.86Å; F386-L443 HydrophobicContact CZ-CD2 3.81Å; F386-L443 HydrophobicContact CZ-CG 4.38Å; M393-L443 HydrophobicContact CG-CD1 3.9Å; M393-L443 HydrophobicContact SD-CD1 4.25Å; L443-P445 VanDerWaalsContact C-CD 3.48Å; L443-P445 VanDerWaalsContact C-N 3.34Å; L443-V487 HydrophobicContact CD1-CB 4.44Å; L443-V487 HydrophobicContact CD1-CG1 4.41Å; L443-W489 HydrophobicContact CD2-CB 3.54Å; L443-W489 HydrophobicContact CD2-CD2 4.08Å; L443-W489 HydrophobicContact CD2-CG 3.4Å
444	L	97.8	Very high	97.9	Very high	24 Å²	24	14.7 Å²	14.7	13%	0.126	8%	0.075	C	C	.	.	S	Bend	trans	48.6	44.9	178	-67.8	158.5	0	0	0	113.8	W310 G311 A446 E447	W310-L444 HydrophobicContact CH2-CD1 3.86Å; W310-L444 HydrophobicContact CH2-CD2 4.05Å; W310-L444 HydrophobicContact CH2-CG 4.29Å; W310-L444 HydrophobicContact CZ2-CD1 4.44Å; W310-L444 HydrophobicContact CZ2-CD2 4.04Å; G311-L444 PolarHBondContact O-N 2.85Å; L444-A446 VanDerWaalsContact C-N 3.27Å; L444-A446 PolarHBondContact O-N 3.03Å; L444-A446 VanDerWaalsContact O-N 3.17Å; L444-E447 HydrophobicContact CB-CB 4.44Å; L444-E447 HydrophobicContact CB-CG 4.35Å; L444-E447 WeakPolarHBondContact O-CB 3.41Å; L444-E447 PolarHBondContact O-N 3.33Å
445	P	98.3	Very high	97.8	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-65.4	-29.9	-166.4	24.5	-31.3	0	0	0	113.2	A313 L316 Y439 A442 L443 E447 S448 F449	A313-P445 HydrophobicContact CB-CG 4.31Å; L316-P445 HydrophobicContact CB-CB 4.16Å; L316-P445 HydrophobicContact CB-CG 3.82Å; L316-P445 HydrophobicContact CD2-CB 3.91Å; L316-P445 HydrophobicContact CD2-CG 4.41Å; Y439-P445 HydrophobicContact CD1-CB 3.61Å; Y439-P445 HydrophobicContact CE1-CB 4.49Å; Y439-P445 HydrophobicContact CG-CB 4.3Å; A442-P445 HydrophobicContact CB-CB 4.32Å; A442-P445 WeakPolarHBondContact O-CD 3.4Å; L443-P445 VanDerWaalsContact C-CD 3.48Å; L443-P445 VanDerWaalsContact C-N 3.34Å; P445-E447 PolarHBondContact O-N 2.97Å; P445-S448 PolarHBondContact O-N 3.33Å; P445-S448 VanDerWaalsContact O-N 3.15Å; P445-F449 VanDerWaalsContact O-CB 3.25Å; P445-F449 WeakPolarHBondContact O-CB 3.38Å; P445-F449 PolarHBondContact O-N 2.88Å
446	A	98.1	Very high	97.7	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.017	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-64	-21.2	174.8	0	0	0	0	0	113.9	L315 Y319 D412 L444 S448	L315-A446 HydrophobicContact CD2-CB 4.31Å; L315-A446 HydrophobicContact CG-CB 4.43Å; Y319-A446 HydrophobicContact CD2-CB 4.12Å; Y319-A446 HydrophobicContact CE2-CB 3.92Å; D412-A446 HydrophobicContact CB-CB 4.01Å; L444-A446 VanDerWaalsContact C-N 3.27Å; L444-A446 PolarHBondContact O-N 3.03Å; L444-A446 VanDerWaalsContact O-N 3.17Å; A446-S448 PolarHBondContact O-N 3.38Å
447	E	98.4	Very high	97.6	Very high	30 Å²	30	11.6 Å²	11.6	14%	0.14	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-77.1	-3.7	175.3	-68.8	-170.6	165.9	0	0	113.2	Q380 G409 G410 D412 L444 P445 H451	Q380-E447 PolarHBondContact NE2-OE2 2.88Å; G409-E447 CarbonylContact C-O 3.59Å; G409-E447 WeakPolarHBondContact CA-O 3.5Å; G410-E447 PolarHBondContact N-O 3.15Å; D412-E447 HydrophobicContact CB-CG 3.76Å; L444-E447 HydrophobicContact CB-CB 4.44Å; L444-E447 HydrophobicContact CB-CG 4.35Å; L444-E447 WeakPolarHBondContact O-CB 3.41Å; L444-E447 PolarHBondContact O-N 3.33Å; P445-E447 PolarHBondContact O-N 2.97Å; E447-H451 PolarHBondContact O-CE1 3.05Å
448	S	98.1	Very high	97.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150	-18.7	179.9	49.9	0	0	0	0	117.1	S408 Y439 P445 A446 T452	S408-S448 WeakPolarHBondContact O-CA 3.3Å; S408-S448 WeakPolarHBondContact O-CB 3.41Å; Y439-S448 WeakPolarHBondContact CE1-OG 3.4Å; Y439-S448 VanDerWaalsContact OH-CB 3.29Å; Y439-S448 WeakPolarHBondContact OH-CB 3.45Å; Y439-S448 PolarHBondContact OH-O 2.89Å; Y439-S448 PolarHBondContact OH-OG 3.42Å; Y439-S448 VanDerWaalsContact OH-OG 3.07Å; P445-S448 PolarHBondContact O-N 3.33Å; P445-S448 VanDerWaalsContact O-N 3.15Å; A446-S448 PolarHBondContact O-N 3.38Å; S448-T452 VanDerWaalsContact O-CB 3.23Å; S448-T452 WeakPolarHBondContact O-CB 3.28Å; S448-T452 PolarHBondContact O-N 2.72Å; S448-T452 PolarHBondContact O-OG1 2.83Å
449	F	98.7	Very high	97.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-55.8	-55.4	178.1	172.4	-92	0	0	0	112	L316 L320 V424 L435 K436 Y439 P445 H451 T452 V453	L316-F449 HydrophobicContact CD1-CB 4.17Å; L316-F449 HydrophobicContact CD1-CD1 3.59Å; L316-F449 HydrophobicContact CD1-CE1 4.1Å; L316-F449 HydrophobicContact CD1-CG 3.86Å; L316-F449 HydrophobicContact CD2-CB 3.83Å; L316-F449 HydrophobicContact CD2-CD1 4.19Å; L316-F449 HydrophobicContact CD2-CD2 3.69Å; L316-F449 HydrophobicContact CD2-CE2 4.3Å; L316-F449 HydrophobicContact CD2-CG 3.63Å; L316-F449 HydrophobicContact CG-CG 4.43Å; L320-F449 HydrophobicContact CD1-CZ 4.42Å; L320-F449 HydrophobicContact CD2-CE1 3.94Å; L320-F449 HydrophobicContact CD2-CZ 4.19Å; V424-F449 HydrophobicContact CG1-CE1 3.85Å; V424-F449 HydrophobicContact CG1-CZ 4.16Å; L435-F449 HydrophobicContact CB-CE2 4.24Å; K436-F449 HydrophobicContact CG-CE2 4.29Å; K436-F449 HydrophobicContact CG-CZ 4.34Å; Y439-F449 HydrophobicContact CD1-CB 4.26Å; Y439-F449 HydrophobicContact CD2-CB 4.03Å; Y439-F449 AromaticContact CD2-CD2 3.58Å; Y439-F449 HydrophobicContact CD2-CD2 3.58Å; Y439-F449 HydrophobicContact CD2-CG 4.28Å; Y439-F449 HydrophobicContact CE1-CB 4.48Å; Y439-F449 HydrophobicContact CE2-CB 4.24Å; Y439-F449 HydrophobicContact CE2-CD2 4.35Å; Y439-F449 HydrophobicContact CG-CB 4.01Å; Y439-F449 AromaticContact CG-CD2 3.88Å; Y439-F449 HydrophobicContact CG-CD2 3.88Å; Y439-F449 HydrophobicContact CG-CG 4.45Å; P445-F449 VanDerWaalsContact O-CB 3.25Å; P445-F449 WeakPolarHBondContact O-CB 3.38Å; P445-F449 PolarHBondContact O-N 2.88Å; F449-H451 PolarHBondContact O-N 3Å; F449-T452 PolarHBondContact O-N 3.23Å; F449-V453 HydrophobicContact CD1-CG2 4.32Å; F449-V453 HydrophobicContact CD2-CG2 4.18Å; F449-V453 HydrophobicContact CE1-CG2 4.02Å; F449-V453 HydrophobicContact CE2-CG2 3.88Å; F449-V453 HydrophobicContact CG-CG2 4.4Å; F449-V453 HydrophobicContact CZ-CG2 3.79Å; F449-V453 VanDerWaalsContact O-CG2 3.31Å; F449-V453 WeakPolarHBondContact O-CG2 3.28Å; F449-V453 PolarHBondContact O-N 3.46Å
450	F	98.6	Very high	97.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.6	-38.3	-175.1	-63.3	-75.7	0	0	0	112.5	L316 Y319 L320 M323 L366 F414 L416 F420 V424 L454	L316-F450 HydrophobicContact CD1-CE2 3.65Å; L316-F450 HydrophobicContact CD1-CZ 3.68Å; Y319-F450 HydrophobicContact CD2-CE2 4.41Å; L320-F450 HydrophobicContact CD2-CE1 4.47Å; M323-F450 HydrophobicContact CE-CE1 3.68Å; M323-F450 HydrophobicContact CE-CZ 3.8Å; M323-F450 HydrophobicContact SD-CE1 3.94Å; M323-F450 HydrophobicContact SD-CZ 4.22Å; L366-F450 HydrophobicContact CD1-CB 4.29Å; L366-F450 HydrophobicContact CD2-CB 3.96Å; F414-F450 HydrophobicContact CD1-CD2 4.29Å; F414-F450 AromaticContact CE1-CD2 3.47Å; F414-F450 HydrophobicContact CE1-CD2 3.47Å; F414-F450 VanDerWaalsContact CE1-CD2 3.47Å; F414-F450 AromaticContact CE1-CE2 3.72Å; F414-F450 HydrophobicContact CE1-CE2 3.72Å; F414-F450 HydrophobicContact CE1-CG 4.27Å; F414-F450 HydrophobicContact CE2-CE2 4.49Å; F414-F450 AromaticContact CZ-CD2 3.63Å; F414-F450 HydrophobicContact CZ-CD2 3.63Å; F414-F450 AromaticContact CZ-CE2 3.48Å; F414-F450 HydrophobicContact CZ-CE2 3.48Å; F414-F450 VanDerWaalsContact CZ-CE2 3.48Å; F414-F450 HydrophobicContact CZ-CG 4.33Å; F414-F450 HydrophobicContact CZ-CZ 4.06Å; L416-F450 HydrophobicContact CD1-CD1 3.79Å; L416-F450 HydrophobicContact CD1-CE1 4.19Å; L416-F450 HydrophobicContact CD1-CG 4.2Å; F420-F450 HydrophobicContact CE1-CD1 4.29Å; V424-F450 HydrophobicContact CG1-CE1 4.31Å; F450-L454 VanDerWaalsContact O-CB 3.24Å; F450-L454 WeakPolarHBondContact O-CB 3.29Å; F450-L454 PolarHBondContact O-N 2.84Å
451	H	97.8	Very high	96.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-62.8	-43.7	174.3	-46.7	70.2	0	0	0	111.9	K367 S411 E447 F449 G455	K367-H451 PolarHBondContact O-NE2 3.39Å; K367-H451 VanDerWaalsContact O-NE2 3.08Å; S411-H451 PolarHBondContact O-CE1 3.23Å; E447-H451 PolarHBondContact O-CE1 3.05Å; F449-H451 PolarHBondContact O-N 3Å; H451-G455 PolarHBondContact O-N 2.89Å
452	T	96.9	Very high	96.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-72.9	-41.8	-178.2	-60.3	0	0	0	0	111.4	L405 S408 L435 Y439 S448 F449 N456	L405-T452 HydrophobicContact CD1-CG2 3.75Å; L405-T452 HydrophobicContact CD2-CG2 4.04Å; L405-T452 HydrophobicContact CG-CG2 4.01Å; S408-T452 PolarHBondContact N-OG1 2.97Å; S408-T452 PolarHBondContact O-OG1 3.01Å; L435-T452 HydrophobicContact CD1-CG2 3.93Å; L435-T452 HydrophobicContact CD2-CG2 4.12Å; Y439-T452 PolarHBondContact OH-OG1 2.8Å; S448-T452 VanDerWaalsContact O-CB 3.23Å; S448-T452 WeakPolarHBondContact O-CB 3.28Å; S448-T452 PolarHBondContact O-N 2.72Å; S448-T452 PolarHBondContact O-OG1 2.83Å; F449-T452 PolarHBondContact O-N 3.23Å; T452-N456 WeakPolarHBondContact O-CB 3.25Å; T452-N456 PolarHBondContact O-N 3.14Å; T452-N456 PolarHBondContact O-ND2 2.94Å
453	V	97.9	Very high	96.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.9	-51.9	172.7	175.8	0	0	0	0	110.1	F420 Y423 V424 V432 L435 F449 N456 S457	F420-V453 HydrophobicContact CE2-CG1 4.04Å; F420-V453 HydrophobicContact CZ-CB 4.3Å; F420-V453 HydrophobicContact CZ-CG1 4.04Å; Y423-V453 HydrophobicContact CD1-CG1 4.45Å; Y423-V453 HydrophobicContact CE1-CG1 3.95Å; V424-V453 HydrophobicContact CG2-CG1 4.03Å; V432-V453 HydrophobicContact CG2-CG1 4.14Å; L435-V453 HydrophobicContact CB-CG2 4.18Å; L435-V453 HydrophobicContact CD1-CB 4.29Å; L435-V453 HydrophobicContact CD1-CG2 3.54Å; F449-V453 HydrophobicContact CD1-CG2 4.32Å; F449-V453 HydrophobicContact CD2-CG2 4.18Å; F449-V453 HydrophobicContact CE1-CG2 4.02Å; F449-V453 HydrophobicContact CE2-CG2 3.88Å; F449-V453 HydrophobicContact CG-CG2 4.4Å; F449-V453 HydrophobicContact CZ-CG2 3.79Å; F449-V453 VanDerWaalsContact O-CG2 3.31Å; F449-V453 WeakPolarHBondContact O-CG2 3.28Å; F449-V453 PolarHBondContact O-N 3.46Å; V453-N456 PolarHBondContact O-N 3.43Å; V453-S457 VanDerWaalsContact O-CB 3.23Å; V453-S457 WeakPolarHBondContact O-CB 3.09Å; V453-S457 PolarHBondContact O-N 2.95Å
454	L	96.9	Very high	96.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-50.4	-177.3	-175.3	61.5	0	0	0	111.7	N364 L366 F420 F450 N456 S457 M459 C460 L463	N364-L454 HydrophobicContact CB-CD2 3.63Å; L366-L454 HydrophobicContact CD1-CB 4.47Å; L366-L454 HydrophobicContact CD1-CD2 3.78Å; F420-L454 HydrophobicContact CD2-CD1 3.66Å; F420-L454 HydrophobicContact CE1-CB 4.33Å; F420-L454 HydrophobicContact CE2-CB 3.83Å; F420-L454 HydrophobicContact CE2-CD1 3.59Å; F420-L454 HydrophobicContact CE2-CG 4.3Å; F420-L454 HydrophobicContact CG-CD1 4.23Å; F420-L454 HydrophobicContact CZ-CB 3.62Å; F420-L454 HydrophobicContact CZ-CD1 4.11Å; F420-L454 HydrophobicContact CZ-CG 4.39Å; F450-L454 VanDerWaalsContact O-CB 3.24Å; F450-L454 WeakPolarHBondContact O-CB 3.29Å; F450-L454 PolarHBondContact O-N 2.84Å; L454-N456 VanDerWaalsContact C-N 3.26Å; L454-N456 PolarHBondContact O-N 3.32Å; L454-S457 PolarHBondContact O-N 2.85Å; L454-S457 VanDerWaalsContact O-N 3.09Å; L454-S457 PolarHBondContact O-OG 3Å; L454-M459 HydrophobicContact CD1-CB 3.95Å; L454-M459 VanDerWaalsContact CD1-O 3.32Å; L454-M459 WeakPolarHBondContact CD1-O 3.49Å; L454-C460 WeakPolarHBondContact O-CA 3.39Å; L454-C460 WeakPolarHBondContact O-CB 3.4Å; L454-L463 HydrophobicContact CD2-CB 3.81Å; L454-L463 HydrophobicContact CD2-CD1 4Å; L454-L463 HydrophobicContact CD2-CG 4.41Å; L454-L463 HydrophobicContact CG-CB 4.38Å
455	G	94.6	Very high	96.3	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-25.6	-176.7	0	0	0	0	0	114.9	C218 H451	C218-G455 VanDerWaalsContact CB-O 3.28Å; C218-G455 WeakPolarHBondContact CB-O 3.34Å; H451-G455 PolarHBondContact O-N 2.89Å
456	N	95.6	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-99.3	-6.7	176.1	-66.1	-92.9	0	0	0	112.9	Q216 F217 C218 E406 L431 T452 V453 L454	Q216-N456 HydrophobicContact CG-CB 4.48Å; F217-N456 CarbonylContact C-O 3.55Å; F217-N456 WeakPolarHBondContact CA-O 3.44Å; F217-N456 WeakPolarHBondContact CB-O 3.37Å; F217-N456 PolarHBondContact N-O 2.79Å; C218-N456 PolarHBondContact N-O 2.98Å; C218-N456 VanDerWaalsContact N-O 3.15Å; E406-N456 PolarHBondContact N-OD1 2.82Å; E406-N456 PolarHBondContact O-ND2 3.41Å; L431-N456 HydrophobicContact CD1-CB 3.84Å; L431-N456 HydrophobicContact CD2-CB 3.68Å; L431-N456 WeakPolarHBondContact CD2-O 3.39Å; L431-N456 HydrophobicContact CG-CB 4.42Å; T452-N456 WeakPolarHBondContact O-CB 3.25Å; T452-N456 PolarHBondContact O-N 3.14Å; T452-N456 PolarHBondContact O-ND2 2.94Å; V453-N456 PolarHBondContact O-N 3.43Å; L454-N456 VanDerWaalsContact C-N 3.26Å; L454-N456 PolarHBondContact O-N 3.32Å
457	S	95.9	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-83.2	169.2	-179.5	73.6	0	0	0	0	113.7	C218 V453 L454 M459 C460	C218-S457 VanDerWaalsContact CA-O 3.31Å; C218-S457 WeakPolarHBondContact CA-O 3.41Å; C218-S457 WeakPolarHBondContact CB-O 3.48Å; C218-S457 PolarHBondContact N-O 2.65Å; V453-S457 VanDerWaalsContact O-CB 3.23Å; V453-S457 WeakPolarHBondContact O-CB 3.09Å; V453-S457 PolarHBondContact O-N 2.95Å; L454-S457 PolarHBondContact O-N 2.85Å; L454-S457 VanDerWaalsContact O-N 3.09Å; L454-S457 PolarHBondContact O-OG 3Å; S457-M459 PolarHBondContact O-N 3.01Å; S457-M459 VanDerWaalsContact O-N 3.09Å; S457-M459 PolarHBondContact OG-N 3Å; S457-M459 VanDerWaalsContact OG-N 3.08Å; S457-C460 PolarHBondContact O-N 3.05Å
458	H	94.6	Very high	96	Very high	128 Å²	128	18.8 Å²	18.8	59%	0.593	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-7.8	166.9	-62.3	-57.7	0	0	0	114.7	F217	F217-H458 AromaticContact CD1-CE1 3.94Å; F217-H458 AromaticContact CD1-NE2 3.99Å; F217-H458 AromaticContact CG-CE1 3.99Å; F217-H458 AromaticContact CG-NE2 3.95Å; F217-H458 PolarHBondContact O-ND1 3.03Å
459	M	94.9	Very high	95.9	Very high	20 Å²	20	18.8 Å²	18.8	10%	0.099	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	15.2	-179.6	-62.1	-179.2	61	0	0	113.1	R419 F420 L454 S457 D461 S462	R419-M459 HydrophobicContact CB-CE 4.3Å; R419-M459 HydrophobicContact CG-CE 3.83Å; R419-M459 HydrophobicContact CG-SD 4.34Å; F420-M459 HydrophobicContact CB-CE 3.89Å; F420-M459 HydrophobicContact CB-SD 4.49Å; F420-M459 HydrophobicContact CD2-SD 4.31Å; L454-M459 HydrophobicContact CD1-CB 3.95Å; L454-M459 VanDerWaalsContact CD1-O 3.32Å; L454-M459 WeakPolarHBondContact CD1-O 3.49Å; S457-M459 PolarHBondContact O-N 3.01Å; S457-M459 VanDerWaalsContact O-N 3.09Å; S457-M459 PolarHBondContact OG-N 3Å; S457-M459 VanDerWaalsContact OG-N 3.08Å; M459-D461 PolarHBondContact O-N 3.41Å; M459-D461 VanDerWaalsContact O-N 3.16Å; M459-S462 WeakPolarHBondContact O-CB 3.42Å; M459-S462 PolarHBondContact O-N 2.77Å; M459-S462 PolarHBondContact O-OG 2.97Å
460	C	93.6	Very high	95.8	Very high	11 Å²	11	19.3 Å²	19.3	7%	0.074	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-62	-21.6	-174.9	63	0	0	0	0	114.6	C218 L454 S457 S462 L463	C218-C460 VanDerWaalsContact CA-SG 3.53Å; C218-C460 HydrophobicContact CB-CB 3.67Å; C218-C460 WeakPolarHBondContact CB-SG 3.48Å; C218-C460 WeakPolarHBondContact SG-CB 3.25Å; C218-C460 CovalentContact SG-SG 2.03Å; C218-C460 PolarHBondContact SG-SG 2.55Å; L454-C460 WeakPolarHBondContact O-CA 3.39Å; L454-C460 WeakPolarHBondContact O-CB 3.4Å; S457-C460 PolarHBondContact O-N 3.05Å; C460-S462 VanDerWaalsContact C-N 3.31Å; C460-L463 WeakPolarHBondContact O-CB 3.35Å; C460-L463 PolarHBondContact O-N 2.81Å
461	D	93.1	Very high	95.8	Very high	116 Å²	116	20.6 Å²	20.6	62%	0.62	11%	0.109	S	C	*	.	G	3₁₀ helix	trans	-65.6	-28.9	173.1	62.8	-28.3	0	0	0	113.3	L220 M459 L463	L220-D461 HydrophobicContact CD1-CB 4.23Å; M459-D461 PolarHBondContact O-N 3.41Å; M459-D461 VanDerWaalsContact O-N 3.16Å; D461-L463 PolarHBondContact O-N 3.15Å
462	S	95.5	Very high	95.7	Very high	14 Å²	14	20.8 Å²	20.8	10%	0.098	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-75.1	-4	177.8	70.9	0	0	0	0	114.8	D362 N364 M459 C460 V464	D362-S462 WeakPolarHBondContact O-CB 3.39Å; N364-S462 PolarHBondContact N-O 2.86Å; N364-S462 PolarHBondContact ND2-OG 3.06Å; M459-S462 WeakPolarHBondContact O-CB 3.42Å; M459-S462 PolarHBondContact O-N 2.77Å; M459-S462 PolarHBondContact O-OG 2.97Å; C460-S462 VanDerWaalsContact C-N 3.31Å; S462-V464 PolarHBondContact O-N 3.44Å
463	L	94.6	Very high	95.6	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.052	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.7	-178.4	172.1	58.8	0	0	0	111.9	F223 S225 L366 L454 C460 D461	F223-L463 HydrophobicContact CD1-CD2 4.03Å; F223-L463 HydrophobicContact CE1-CD2 4.15Å; S225-L463 VanDerWaalsContact CB-O 3.3Å; S225-L463 WeakPolarHBondContact CB-O 3.16Å; S225-L463 PolarHBondContact OG-O 2.96Å; L366-L463 HydrophobicContact CB-CD1 3.86Å; L366-L463 HydrophobicContact CD1-CD1 4.4Å; L454-L463 HydrophobicContact CD2-CB 3.81Å; L454-L463 HydrophobicContact CD2-CD1 4Å; L454-L463 HydrophobicContact CD2-CG 4.41Å; L454-L463 HydrophobicContact CG-CB 4.38Å; C460-L463 WeakPolarHBondContact O-CB 3.35Å; C460-L463 PolarHBondContact O-N 2.81Å; D461-L463 PolarHBondContact O-N 3.15Å
464	V	94.9	Very high	95.4	Very high	14 Å²	14	28.8 Å²	28.8	9%	0.085	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122	165.8	179.9	0	0	0	0	109	Q363 N364 F365 L366 S462 N466	Q363-V464 HydrophobicContact CB-CG2 3.9Å; Q363-V464 HydrophobicContact CG-CG2 4.11Å; N364-V464 PolarHBondContact O-N 2.83Å; F365-V464 HydrophobicContact CD1-CB 3.94Å; F365-V464 HydrophobicContact CD1-CG1 4Å; F365-V464 HydrophobicContact CD1-CG2 4.46Å; F365-V464 HydrophobicContact CE1-CB 4.09Å; F365-V464 HydrophobicContact CE1-CG1 4.03Å; F365-V464 HydrophobicContact CE1-CG2 4.16Å; L366-V464 PolarHBondContact N-O 2.77Å; S462-V464 PolarHBondContact O-N 3.44Å; V464-N466 HydrophobicContact CG1-CB 4.14Å; V464-N466 PolarHBondContact O-N 2.59Å
465	D	94.3	Very high	95.2	Very high	59 Å²	59	35.6 Å²	35.6	32%	0.316	17%	0.171	S	C	.	.	S	Bend	trans	-75.4	51.9	177.7	-175.2	27.2	0	0	0	112.7	L366 K367 S368	L366-D465 CarbonylContact O-C 3.57Å; L366-D465 WeakPolarHBondContact O-CA 3.28Å; K367-D465 WeakPolarHBondContact CD-O 3.38Å; K367-D465 WeakPolarHBondContact CD-OD1 3.49Å; K367-D465 WeakPolarHBondContact CE-OD1 3.2Å; K367-D465 PolarHBondContact NZ-O 2.88Å; K367-D465 IonicContact NZ-OD1 2.93Å; K367-D465 PolarHBondContact NZ-OD1 2.93Å; K367-D465 IonicContact NZ-OD2 2.7Å; K367-D465 PolarHBondContact NZ-OD2 2.95Å; S368-D465 WeakPolarHBondContact CB-OD1 3.25Å; S368-D465 PolarHBondContact N-OD1 2.89Å
466	N	94.8	Very high	95.1	Very high	13 Å²	13	44 Å²	44	7%	0.07	21%	0.207	C	C	.	.			trans	-150.7	119.2	172.3	-177.5	17.3	0	0	0	108	F365 L366 V464 L468 R510 P511	F365-N466 CarbonylContact C-O 3.58Å; F365-N466 WeakPolarHBondContact CA-O 3.47Å; F365-N466 VanDerWaalsContact CB-O 3.27Å; F365-N466 WeakPolarHBondContact CB-O 3.4Å; F365-N466 WeakPolarHBondContact CD1-O 3.22Å; L366-N466 PolarHBondContact O-N 2.74Å; V464-N466 HydrophobicContact CG1-CB 4.14Å; V464-N466 PolarHBondContact O-N 2.59Å; N466-L468 VanDerWaalsContact C-N 3.26Å; N466-L468 PolarHBondContact O-N 2.69Å; N466-L468 PolarHBondContact OD1-N 3.3Å; N466-R510 PolarHBondContact OD1-NH1 2.8Å; N466-P511 PolarHBondContact ND2-O 3.38Å
467	N	97.1	Very high	95	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	21%	0.213	C	C	.	.			trans	-87.6	10	177	66.5	-13.4	0	0	0	114.3	K367 S411 W413 R469	K367-N467 HydrophobicContact CB-CB 3.74Å; K367-N467 VanDerWaalsContact CB-CG 3.49Å; S411-N467 WeakPolarHBondContact CB-ND2 3.49Å; S411-N467 PolarHBondContact OG-ND2 3Å; W413-N467 WeakPolarHBondContact O-CB 3.42Å; W413-N467 PolarHBondContact O-ND2 2.82Å; N467-R469 HydrophobicContact CB-CG 4.33Å; N467-R469 WeakPolarHBondContact ND2-CG 3.49Å; N467-R469 WeakPolarHBondContact O-CG 3.44Å; N467-R469 PolarHBondContact O-N 2.99Å; N467-R469 VanDerWaalsContact O-N 3.13Å; N467-R469 PolarHBondContact O-NE 2.98Å; N467-R469 PolarHBondContact OD1-N 2.88Å
468	L	97.1	Very high	94.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	21%	0.213	C	C	.	.	S	Bend	trans	62.6	15.4	-177.8	-50	177.3	0	0	0	114.4	F356 L357 F365 N466 P511 T512 F513 F514	F356-L468 HydrophobicContact CD1-CD1 4.29Å; F356-L468 HydrophobicContact CE1-CD1 3.88Å; F356-L468 HydrophobicContact CE1-CD2 3.66Å; F356-L468 HydrophobicContact CE1-CG 4.43Å; F356-L468 HydrophobicContact CZ-CD2 3.99Å; L357-L468 HydrophobicContact CD2-CD1 4.09Å; F365-L468 HydrophobicContact CB-CD1 4.36Å; F365-L468 HydrophobicContact CB-CG 4.24Å; F365-L468 HydrophobicContact CD1-CD1 4.1Å; F365-L468 HydrophobicContact CD1-CD2 3.93Å; F365-L468 HydrophobicContact CD1-CG 3.94Å; F365-L468 HydrophobicContact CD2-CD1 4.25Å; F365-L468 HydrophobicContact CE1-CD1 4.5Å; F365-L468 HydrophobicContact CE1-CD2 4.21Å; F365-L468 HydrophobicContact CG-CD1 3.97Å; F365-L468 HydrophobicContact CG-CG 4.1Å; N466-L468 VanDerWaalsContact C-N 3.26Å; N466-L468 PolarHBondContact O-N 2.69Å; N466-L468 PolarHBondContact OD1-N 3.3Å; L468-P511 HydrophobicContact CD2-CB 4.25Å; L468-P511 HydrophobicContact CD2-CG 4.36Å; L468-T512 CarbonylContact O-C 3.59Å; L468-T512 VanDerWaalsContact O-CA 3.25Å; L468-T512 WeakPolarHBondContact O-CA 3.5Å; L468-F513 HydrophobicContact CB-CD2 4.11Å; L468-F513 HydrophobicContact CD1-CD2 4.09Å; L468-F513 HydrophobicContact CD2-CD2 4.25Å; L468-F513 HydrophobicContact CD2-CE2 4.32Å; L468-F513 HydrophobicContact CG-CD2 4.37Å; L468-F513 PolarHBondContact O-N 3.12Å; L468-F514 PolarHBondContact O-N 2.8Å
469	R	97	Very high	94.9	Very high	2 Å²	2	41 Å²	41	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	151.2	-178.9	-46.8	-53.1	173.6	100.2	4.3	114	N339 D344 W413 F414 N467 R510 F514	N339-R469 VanDerWaalsContact O-CZ 3.28Å; N339-R469 PolarHBondContact O-NH1 3.34Å; N339-R469 PolarHBondContact O-NH2 2.92Å; N339-R469 PolarHBondContact OD1-NH2 3.29Å; D344-R469 IonicContact OD1-NH1 2.7Å; W413-R469 HydrophobicContact CB-CG 3.86Å; F414-R469 PolarHBondContact O-NH2 3.11Å; N467-R469 HydrophobicContact CB-CG 4.33Å; N467-R469 WeakPolarHBondContact ND2-CG 3.49Å; N467-R469 WeakPolarHBondContact O-CG 3.44Å; N467-R469 PolarHBondContact O-N 2.99Å; N467-R469 VanDerWaalsContact O-N 3.13Å; N467-R469 PolarHBondContact O-NE 2.98Å; N467-R469 PolarHBondContact OD1-N 2.88Å; R469-R510 PolarHBondContact O-NH1 2.83Å; R469-R510 PolarHBondContact O-NH2 3.45Å; R469-F514 CarbonylContact C-O 3.59Å; R469-F514 VanDerWaalsContact CA-O 3.27Å; R469-F514 WeakPolarHBondContact CA-O 3.35Å
470	V	96.9	Very high	94.8	Very high	11 Å²	11	45 Å²	45	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.1	160.3	-162.5	0	0	0	0	109.3	F497 I505 L508 T512 F514 A515 R516	V470-F497 HydrophobicContact CB-CZ 4.48Å; V470-F497 HydrophobicContact CG1-CZ 4.05Å; V470-I505 HydrophobicContact CG1-CG1 4.42Å; V470-I505 HydrophobicContact CG2-CG2 4.46Å; V470-L508 HydrophobicContact CB-CD1 4.34Å; V470-L508 HydrophobicContact CG1-CD1 3.99Å; V470-L508 HydrophobicContact CG2-CD1 3.42Å; V470-L508 VanDerWaalsContact CG2-CD1 3.42Å; V470-T512 HydrophobicContact CG2-CG2 4.05Å; V470-F514 PolarHBondContact N-O 2.9Å; V470-A515 HydrophobicContact CB-CB 3.94Å; V470-A515 HydrophobicContact CG2-CB 4.43Å; V470-A515 CarbonylContact O-C 3.56Å; V470-A515 VanDerWaalsContact O-CA 3.23Å; V470-A515 WeakPolarHBondContact O-CA 3.4Å; V470-R516 PolarHBondContact O-N 3.31Å
471	T	96.8	Very high	94.7	Very high	27 Å²	27	45.8 Å²	45.8	17%	0.166	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120	-178.4	-49.3	0	0	0	0	110.6	W473 P494 R516	T471-W473 VanDerWaalsContact C-N 3.3Å; T471-W473 HydrophobicContact CG2-CD2 4.41Å; T471-W473 HydrophobicContact CG2-CG 4.33Å; T471-W473 HydrophobicContact CG2-CZ2 4.47Å; T471-W473 VanDerWaalsContact CG2-NE1 3.35Å; T471-W473 PolarHBondContact O-N 3.47Å; T471-P494 HydrophobicContact CG2-CB 3.8Å; T471-P494 HydrophobicContact CG2-CG 3.38Å; T471-R516 WeakPolarHBondContact CA-O 3.38Å; T471-R516 HydrophobicContact CG2-CG 4.18Å
472	N	96.6	Very high	94.5	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.027	20%	0.202	C	C	.	.			trans	-78.4	70.8	-171.5	-163.9	14.4	0	0	0	113.5	N474 N495 D496 F497 R504 R516	N472-N474 PolarHBondContact O-N 3.36Å; N472-N495 PolarHBondContact O-N 3.32Å; N472-D496 PolarHBondContact ND2-O 2.81Å; N472-F497 HydrophobicContact CB-CD2 4.15Å; N472-F497 HydrophobicContact CB-CE1 4.37Å; N472-F497 HydrophobicContact CB-CE2 3.81Å; N472-F497 HydrophobicContact CB-CZ 3.93Å; N472-R504 PolarHBondContact OD1-NH1 3.34Å; N472-R504 PolarHBondContact OD1-NH2 3.26Å; N472-R516 PolarHBondContact N-O 2.88Å
473	W	94.8	Very high	94.3	Very high	105 Å²	105	44.1 Å²	44.1	40%	0.398	21%	0.205	S	C	.	.			trans	-79.7	91.9	-178.6	-75.4	115.4	0	0	0	113.9	T471 C492 P494	T471-W473 VanDerWaalsContact C-N 3.3Å; T471-W473 HydrophobicContact CG2-CD2 4.41Å; T471-W473 HydrophobicContact CG2-CG 4.33Å; T471-W473 HydrophobicContact CG2-CZ2 4.47Å; T471-W473 VanDerWaalsContact CG2-NE1 3.35Å; T471-W473 PolarHBondContact O-N 3.47Å; W473-C492 HydrophobicContact CH2-CB 4.4Å; W473-C492 HydrophobicContact CZ3-CB 3.74Å; W473-P494 HydrophobicContact CD2-CG 4.27Å; W473-P494 HydrophobicContact CE3-CG 4.28Å; W473-P494 HydrophobicContact CH2-CG 4.05Å; W473-P494 HydrophobicContact CZ2-CG 4.01Å; W473-P494 HydrophobicContact CZ3-CG 4.18Å
474	N	94.7	Very high	94.2	Very high	63 Å²	63	47.9 Å²	47.9	34%	0.337	22%	0.221	S	C	.	.			trans	-100.2	92.6	164.1	-177.8	-3.6	0	0	0	111.4	N472 K476 L477 G478 N495	N472-N474 PolarHBondContact O-N 3.36Å; N474-K476 PolarHBondContact O-N 2.62Å; N474-K476 VanDerWaalsContact O-N 3.1Å; N474-K476 WeakPolarHBondContact OD1-CB 3.47Å; N474-K476 PolarHBondContact OD1-N 2.89Å; N474-L477 PolarHBondContact O-N 2.92Å; N474-G478 PolarHBondContact O-N 3.41Å; N474-N495 WeakPolarHBondContact CB-OD1 3.36Å; N474-N495 PolarHBondContact O-OD1 2.97Å
475	R	92.8	Very high	94	Very high	143 Å²	143	53.5 Å²	53.5	54%	0.54	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-18.2	-176.5	-64.9	-175.5	-178.2	-112.1	-3.1	114.7	L477 C479	R475-L477 VanDerWaalsContact C-N 3.26Å; R475-L477 PolarHBondContact O-N 2.92Å; R475-C479 WeakPolarHBondContact O-CB 3.24Å
476	K	92.1	Very high	94	Very high	177 Å²	177	52.4 Å²	52.4	77%	0.77	24%	0.24	S	C	*	.	H	α-helix	trans	-69.2	-26.5	174.2	-67.2	-174.6	177.9	-178	0	112.3	N474 K480	N474-K476 PolarHBondContact O-N 2.62Å; N474-K476 VanDerWaalsContact O-N 3.1Å; N474-K476 WeakPolarHBondContact OD1-CB 3.47Å; N474-K476 PolarHBondContact OD1-N 2.89Å; K476-K480 VanDerWaalsContact O-CE 3.24Å; K476-K480 WeakPolarHBondContact O-CE 3.4Å; K476-K480 PolarHBondContact O-NZ 3.22Å
477	L	92.9	Very high	94.1	Very high	26 Å²	26	51.8 Å²	51.8	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-110.6	-48.7	-176.6	-60	-177.6	0	0	0	111.9	N474 R475 C479 K480	N474-L477 PolarHBondContact O-N 2.92Å; R475-L477 VanDerWaalsContact C-N 3.26Å; R475-L477 PolarHBondContact O-N 2.92Å; L477-C479 PolarHBondContact O-N 3Å; L477-K480 VanDerWaalsContact O-CE 3.29Å; L477-K480 WeakPolarHBondContact O-CE 3.31Å; L477-K480 VanDerWaalsContact O-CG 3.24Å; L477-K480 WeakPolarHBondContact O-CG 3.29Å
478	G	93.2	Very high	94.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-75.5	-12.9	-173.5	0	0	0	0	0	117.3	N474 Q482 C492 S493	N474-G478 PolarHBondContact O-N 3.41Å; G478-Q482 PolarHBondContact O-NE2 3.3Å; G478-C492 CarbonylContact O-C 3.6Å; G478-C492 VanDerWaalsContact O-CA 3.31Å; G478-C492 WeakPolarHBondContact O-CA 3.38Å; G478-S493 VanDerWaalsContact CA-O 3.31Å; G478-S493 WeakPolarHBondContact CA-O 3.35Å; G478-S493 PolarHBondContact O-N 3.47Å
479	C	95.4	Very high	94.2	Very high	39 Å²	39	55.4 Å²	55.4	26%	0.264	25%	0.252	S	S	.	.			trans	-105.4	87.5	178.1	-63.2	0	0	0	0	110.8	R475 L477 C492	R475-C479 WeakPolarHBondContact O-CB 3.24Å; L477-C479 PolarHBondContact O-N 3Å; C479-C492 HydrophobicContact CB-CB 4.06Å; C479-C492 WeakPolarHBondContact CB-SG 3.37Å; C479-C492 WeakPolarHBondContact SG-CB 3.41Å; C479-C492 CovalentContact SG-SG 2.04Å; C479-C492 PolarHBondContact SG-SG 3.06Å
480	K	92.4	Very high	94.1	Very high	105 Å²	105	59.1 Å²	59.1	46%	0.457	28%	0.277	S	S	.	.	S	Bend	trans	-123.7	8.9	-179.7	-58.5	-67.8	173.7	-172.8	0	113.7	K476 L477 Q482 P664	K476-K480 VanDerWaalsContact O-CE 3.24Å; K476-K480 WeakPolarHBondContact O-CE 3.4Å; K476-K480 PolarHBondContact O-NZ 3.22Å; L477-K480 VanDerWaalsContact O-CE 3.29Å; L477-K480 WeakPolarHBondContact O-CE 3.31Å; L477-K480 VanDerWaalsContact O-CG 3.24Å; L477-K480 WeakPolarHBondContact O-CG 3.29Å; K480-Q482 PolarHBondContact O-N 3.48Å; K480-P664 HydrophobicContact CB-CG 4.28Å; K480-P664 HydrophobicContact CG-CB 4.27Å; K480-P664 HydrophobicContact CG-CG 4Å
481	C	92.7	Very high	93.9	Very high	28 Å²	28	58.9 Å²	58.9	19%	0.189	28%	0.277	C	S	.	.			trans	56.3	28.3	-171.1	-161.1	0	0	0	0	112.8	Y483 K484 C490	C481-Y483 PolarHBondContact O-N 3.38Å; C481-K484 WeakPolarHBondContact O-CB 3.25Å; C481-K484 PolarHBondContact O-N 2.95Å; C481-K484 VanDerWaalsContact O-N 3.13Å; C481-C490 HydrophobicContact CB-CB 3.69Å; C481-C490 WeakPolarHBondContact CB-SG 3.42Å; C481-C490 WeakPolarHBondContact SG-CA 3.39Å; C481-C490 WeakPolarHBondContact SG-CB 3.49Å; C481-C490 CovalentContact SG-SG 2.04Å; C481-C490 PolarHBondContact SG-SG 2.97Å
482	Q	88.4	Confident	93.9	Very high	49 Å²	49	59.2 Å²	59.2	23%	0.229	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.3	-173.7	60.9	-86.9	21.9	0	0	114.4	G478 K480 H485	G478-Q482 PolarHBondContact O-NE2 3.3Å; K480-Q482 PolarHBondContact O-N 3.48Å; Q482-H485 PolarHBondContact O-CE1 2.78Å; Q482-H485 PolarHBondContact O-ND1 2.8Å
483	Y	91.3	Very high	93.8	Very high	46 Å²	46	59.5 Å²	59.5	18%	0.18	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	8	-178.6	-51.9	-60.2	0	0	0	114.6	W310 C481 H485 I486 V487 S493	W310-Y483 HydrophobicContact CB-CD1 4.1Å; W310-Y483 HydrophobicContact CB-CE1 4.36Å; W310-Y483 HydrophobicContact CB-CG 4.28Å; W310-Y483 AromaticContact CD1-CE2 3.65Å; W310-Y483 AromaticContact CD1-CZ 3.65Å; W310-Y483 HydrophobicContact CD2-CD1 4.32Å; W310-Y483 AromaticContact CD2-CD2 3.37Å; W310-Y483 HydrophobicContact CD2-CD2 3.37Å; W310-Y483 AromaticContact CD2-CE2 3.77Å; W310-Y483 HydrophobicContact CD2-CE2 3.77Å; W310-Y483 AromaticContact CD2-CG 3.69Å; W310-Y483 HydrophobicContact CD2-CG 3.69Å; W310-Y483 AromaticContact CE2-CD2 3.47Å; W310-Y483 VanDerWaalsContact CE2-CD2 3.47Å; W310-Y483 AromaticContact CE2-CE2 3.5Å; W310-Y483 VanDerWaalsContact CE2-CE2 3.5Å; W310-Y483 AromaticContact CE3-CD2 3.74Å; W310-Y483 HydrophobicContact CE3-CD2 3.74Å; W310-Y483 AromaticContact CE3-CG 3.89Å; W310-Y483 HydrophobicContact CE3-CG 3.89Å; W310-Y483 AromaticContact CG-CD1 3.97Å; W310-Y483 HydrophobicContact CG-CD1 3.97Å; W310-Y483 AromaticContact CG-CD2 3.8Å; W310-Y483 HydrophobicContact CG-CD2 3.8Å; W310-Y483 HydrophobicContact CG-CE1 4.06Å; W310-Y483 AromaticContact CG-CE2 3.9Å; W310-Y483 HydrophobicContact CG-CE2 3.9Å; W310-Y483 AromaticContact CG-CG 3.84Å; W310-Y483 HydrophobicContact CG-CG 3.84Å; W310-Y483 HydrophobicContact CH2-CD2 4.31Å; W310-Y483 AromaticContact CZ2-CD2 3.95Å; W310-Y483 HydrophobicContact CZ2-CD2 3.95Å; W310-Y483 HydrophobicContact CZ2-CE2 4.11Å; W310-Y483 HydrophobicContact CZ3-CD2 4.2Å; W310-Y483 AromaticContact NE1-CD2 3.83Å; W310-Y483 AromaticContact NE1-CE2 3.38Å; W310-Y483 AromaticContact NE1-CZ 3.81Å; C481-Y483 PolarHBondContact O-N 3.38Å; Y483-H485 PolarHBondContact O-N 2.83Å; Y483-I486 HydrophobicContact CD1-CD1 4.41Å; Y483-I486 PolarHBondContact O-N 3.3Å; Y483-V487 PolarHBondContact O-N 3.01Å; Y483-S493 WeakPolarHBondContact OH-CB 3.47Å
484	K	91.8	Very high	93.9	Very high	88 Å²	88	54.9 Å²	54.9	38%	0.383	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.8	-177.9	-150.8	-171.3	-164.5	-162.2	0	115.2	P156 H392 C481	P156-K484 WeakPolarHBondContact O-CD 3.32Å; P156-K484 WeakPolarHBondContact O-CE 3.46Å; P156-K484 PolarHBondContact O-NZ 2.85Å; H392-K484 PolarHBondContact NE2-O 2.87Å; C481-K484 WeakPolarHBondContact O-CB 3.25Å; C481-K484 PolarHBondContact O-N 2.95Å; C481-K484 VanDerWaalsContact O-N 3.13Å
485	H	90.6	Very high	94	Very high	132 Å²	132	52.3 Å²	52.3	61%	0.611	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-10.6	176.6	63.2	-83.6	0	0	0	113.6	H392 Q482 Y483	H392-H485 PolarHBondContact CE1-O 2.81Å; H392-H485 PolarHBondContact ND1-O 3.03Å; H392-H485 VanDerWaalsContact ND1-O 3.17Å; H392-H485 PolarHBondContact NE2-O 3.25Å; Q482-H485 PolarHBondContact O-CE1 2.78Å; Q482-H485 PolarHBondContact O-ND1 2.8Å; Y483-H485 PolarHBondContact O-N 2.83Å
486	I	95.1	Very high	94.3	Very high	37 Å²	37	45.7 Å²	45.7	19%	0.19	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-30.7	179.2	-56.9	177.8	0	0	0	110.8	I309 H392 M393 Y483	I309-I486 HydrophobicContact CB-CG2 3.78Å; I309-I486 HydrophobicContact CD1-CG2 4.12Å; I309-I486 HydrophobicContact CG1-CG2 4.33Å; I309-I486 HydrophobicContact CG2-CG2 4.38Å; H392-I486 WeakPolarHBondContact CA-O 3.32Å; H392-I486 WeakPolarHBondContact CE1-CA 3.41Å; H392-I486 PolarHBondContact CE1-N 3.27Å; H392-I486 PolarHBondContact CE1-O 3.04Å; H392-I486 VanDerWaalsContact ND1-C 3.33Å; H392-I486 PolarHBondContact ND1-O 3.18Å; M393-I486 PolarHBondContact N-O 2.72Å; Y483-I486 HydrophobicContact CD1-CD1 4.41Å; Y483-I486 PolarHBondContact O-N 3.3Å
487	V	97	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-140.7	148.2	-177.1	-48.8	0	0	0	0	111.9	W310 H392 M393 L443 Y483 W489	W310-V487 HydrophobicContact CE3-CG1 4.1Å; W310-V487 HydrophobicContact CE3-CG2 4.04Å; W310-V487 HydrophobicContact CZ3-CG2 3.94Å; W310-V487 WeakPolarHBondContact O-CG1 3.33Å; H392-V487 PolarHBondContact NE2-N 2.96Å; M393-V487 HydrophobicContact CB-CB 3.86Å; M393-V487 HydrophobicContact CB-CG1 3.62Å; M393-V487 HydrophobicContact CG-CB 4.44Å; M393-V487 HydrophobicContact CG-CG1 4.38Å; L443-V487 HydrophobicContact CD1-CB 4.44Å; L443-V487 HydrophobicContact CD1-CG1 4.41Å; Y483-V487 PolarHBondContact O-N 3.01Å; V487-W489 HydrophobicContact CG2-CB 4.14Å; V487-W489 WeakPolarHBondContact CG2-O 3.09Å; V487-W489 PolarHBondContact O-N 3.25Å
488	D	97.6	Very high	94.7	Very high	26 Å²	26	38.4 Å²	38.4	14%	0.139	20%	0.195	C	C	.	.	S	Bend	trans	-76	38.6	174.5	-78.9	-28.2	0	0	0	113.8	R187 M393 W394 R395	R187-D488 IonicContact CZ-OD1 3.69Å; R187-D488 IonicContact CZ-OD2 2.71Å; R187-D488 IonicContact NH1-OD1 2.69Å; R187-D488 PolarHBondContact NH1-OD1 2.89Å; R187-D488 IonicContact NH1-OD2 2.73Å; R187-D488 VanDerWaalsContact NH2-CG 3.32Å; R187-D488 IonicContact NH2-OD1 2.74Å; R187-D488 PolarHBondContact NH2-OD1 3Å; R187-D488 VanDerWaalsContact NH2-OD1 3.12Å; R187-D488 IonicContact NH2-OD2 3.77Å; R187-D488 PolarHBondContact NH2-OD2 2.81Å; M393-D488 PolarHBondContact O-N 3.37Å; W394-D488 WeakPolarHBondContact CA-OD2 3.12Å; R395-D488 HydrophobicContact CB-CB 3.58Å; R395-D488 PolarHBondContact N-OD2 3.25Å; R395-D488 PolarHBondContact NH1-O 2.88Å
489	W	97.3	Very high	94.8	Very high	54 Å²	54	40 Å²	40	21%	0.205	21%	0.205	C	C	.	.	S	Bend	trans	-152.3	163.9	-175	-153.2	-109.4	0	0	0	112.9	K379 R384 F386 L443 V487	K379-W489 PolarHBondContact O-NE1 3.16Å; R384-W489 HydrophobicContact CG-CH2 4.19Å; R384-W489 HydrophobicContact CG-CZ3 4.11Å; F386-W489 HydrophobicContact CZ-CD2 4.32Å; F386-W489 AromaticContact CZ-CE3 3.97Å; F386-W489 HydrophobicContact CZ-CE3 3.97Å; L443-W489 HydrophobicContact CD2-CB 3.54Å; L443-W489 HydrophobicContact CD2-CD2 4.08Å; L443-W489 HydrophobicContact CD2-CG 3.4Å; V487-W489 HydrophobicContact CG2-CB 4.14Å; V487-W489 WeakPolarHBondContact CG2-O 3.09Å; V487-W489 PolarHBondContact O-N 3.25Å
490	C	95.9	Very high	94.7	Very high	80 Å²	80	44.5 Å²	44.5	54%	0.541	22%	0.223	S	C	.	.			trans	-102	109.5	175.7	-74.1	0	0	0	0	112.4	C481	C481-C490 HydrophobicContact CB-CB 3.69Å; C481-C490 WeakPolarHBondContact CB-SG 3.42Å; C481-C490 WeakPolarHBondContact SG-CA 3.39Å; C481-C490 WeakPolarHBondContact SG-CB 3.49Å; C481-C490 CovalentContact SG-SG 2.04Å; C481-C490 PolarHBondContact SG-SG 2.97Å
491	G	93.4	Very high	94.7	Very high	6 Å²	6	40.9 Å²	40.9	6%	0.062	21%	0.208	C	C	.	.			trans	-87.6	172.1	176.6	0	0	0	0	0	116
492	C	95.4	Very high	94.7	Very high	35 Å²	35	40.2 Å²	40.2	24%	0.236	20%	0.203	C	C	.	.			trans	-127.4	158.9	164	-60.3	0	0	0	0	109.5	W473 G478 C479	W473-C492 HydrophobicContact CH2-CB 4.4Å; W473-C492 HydrophobicContact CZ3-CB 3.74Å; G478-C492 CarbonylContact O-C 3.6Å; G478-C492 VanDerWaalsContact O-CA 3.31Å; G478-C492 WeakPolarHBondContact O-CA 3.38Å; C479-C492 HydrophobicContact CB-CB 4.06Å; C479-C492 WeakPolarHBondContact CB-SG 3.37Å; C479-C492 WeakPolarHBondContact SG-CB 3.41Å; C479-C492 CovalentContact SG-SG 2.04Å; C479-C492 PolarHBondContact SG-SG 3.06Å
493	S	95.1	Very high	94.7	Very high	10 Å²	10	41 Å²	41	7%	0.07	21%	0.211	C	C	.	.			trans	-131.9	149.4	170.7	-173.9	0	0	0	0	110.7	G478 Y483	G478-S493 VanDerWaalsContact CA-O 3.31Å; G478-S493 WeakPolarHBondContact CA-O 3.35Å; G478-S493 PolarHBondContact O-N 3.47Å; Y483-S493 WeakPolarHBondContact OH-CB 3.47Å
494	P	97	Very high	94.4	Very high	8 Å²	8	44 Å²	44	5%	0.052	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-61.6	146.8	166.4	-20.3	33.4	0	0	0	111.7	T471 W473 K517 K665	T471-P494 HydrophobicContact CG2-CB 3.8Å; T471-P494 HydrophobicContact CG2-CG 3.38Å; W473-P494 HydrophobicContact CD2-CG 4.27Å; W473-P494 HydrophobicContact CE3-CG 4.28Å; W473-P494 HydrophobicContact CH2-CG 4.05Å; W473-P494 HydrophobicContact CZ2-CG 4.01Å; W473-P494 HydrophobicContact CZ3-CG 4.18Å; P494-K517 HydrophobicContact CB-CG 4.36Å; P494-K665 WeakPolarHBondContact O-CD 3.35Å; P494-K665 PolarHBondContact O-NZ 2.89Å
495	N	97.8	Very high	94.2	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-72.5	161.9	167.1	-85.9	89.3	0	0	0	111	N472 N474 K517 K665 E666	N472-N495 PolarHBondContact O-N 3.32Å; N474-N495 WeakPolarHBondContact CB-OD1 3.36Å; N474-N495 PolarHBondContact O-OD1 2.97Å; N495-K517 PolarHBondContact O-N 2.91Å; N495-K665 WeakPolarHBondContact ND2-CG 3.32Å; N495-K665 PolarHBondContact ND2-O 3.19Å; N495-E666 VanDerWaalsContact CA-OE1 3.28Å; N495-E666 WeakPolarHBondContact CA-OE1 3.39Å; N495-E666 PolarHBondContact ND2-OE1 3.48Å
496	D	98.1	Very high	93.5	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-84	145.7	173.4	-55	-59.8	0	0	0	109.7	N472 K517 V522 K665 E666	N472-D496 PolarHBondContact ND2-O 2.81Å; D496-K517 CarbonylContact C-O 3.59Å; D496-K517 VanDerWaalsContact CA-O 3.27Å; D496-K517 WeakPolarHBondContact CA-O 3.27Å; D496-K517 WeakPolarHBondContact OD1-CB 3.43Å; D496-K517 IonicContact OD1-NZ 3.34Å; D496-K517 PolarHBondContact OD1-NZ 3.39Å; D496-K517 IonicContact OD2-NZ 3.98Å; D496-V522 HydrophobicContact CB-CG1 3.97Å; D496-K665 IonicContact OD1-NZ 2.66Å; D496-K665 IonicContact OD2-NZ 2.58Å; D496-K665 PolarHBondContact OD2-NZ 3.03Å; D496-E666 PolarHBondContact N-OE1 3.45Å; D496-E666 WeakPolarHBondContact OD2-CG 3.28Å
497	F	97.6	Very high	92.9	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-71.4	146.8	-179.2	-86.8	-86.5	0	0	0	111.6	V470 N472 D501 L502 I505 A515 R516 K517 F518	V470-F497 HydrophobicContact CB-CZ 4.48Å; V470-F497 HydrophobicContact CG1-CZ 4.05Å; N472-F497 HydrophobicContact CB-CD2 4.15Å; N472-F497 HydrophobicContact CB-CE1 4.37Å; N472-F497 HydrophobicContact CB-CE2 3.81Å; N472-F497 HydrophobicContact CB-CZ 3.93Å; F497-D501 HydrophobicContact CD1-CB 3.54Å; F497-D501 HydrophobicContact CE1-CB 4.02Å; F497-L502 HydrophobicContact CD1-CD2 4.37Å; F497-I505 HydrophobicContact CD1-CD1 4.19Å; F497-I505 HydrophobicContact CE1-CD1 3.76Å; F497-I505 HydrophobicContact CE1-CG1 3.86Å; F497-I505 HydrophobicContact CZ-CD1 4.01Å; F497-I505 HydrophobicContact CZ-CG1 4.14Å; F497-A515 HydrophobicContact CE2-CB 3.82Å; F497-A515 HydrophobicContact CZ-CB 4.15Å; F497-R516 WeakPolarHBondContact CE2-O 3.32Å; F497-K517 WeakPolarHBondContact CD2-O 2.97Å; F497-K517 PolarHBondContact N-O 3.41Å; F497-F518 HydrophobicContact CB-CD1 3.84Å; F497-F518 HydrophobicContact CB-CE1 3.49Å; F497-F518 VanDerWaalsContact CB-CE1 3.49Å; F497-F518 HydrophobicContact CB-CZ 4.03Å; F497-F518 HydrophobicContact CD2-CD2 4.47Å; F497-F518 HydrophobicContact CD2-CE1 4.1Å; F497-F518 AromaticContact CD2-CE2 3.96Å; F497-F518 HydrophobicContact CD2-CE2 3.96Å; F497-F518 AromaticContact CD2-CZ 3.74Å; F497-F518 HydrophobicContact CD2-CZ 3.74Å; F497-F518 HydrophobicContact CE2-CE2 4.48Å; F497-F518 HydrophobicContact CE2-CZ 4.41Å; F497-F518 AromaticContact CG-CE1 3.94Å; F497-F518 HydrophobicContact CG-CE1 3.94Å; F497-F518 AromaticContact CG-CZ 3.95Å; F497-F518 HydrophobicContact CG-CZ 3.95Å
498	K	96.3	Very high	92.1	Very high	47 Å²	47	48.2 Å²	48.2	20%	0.204	24%	0.244	C	C	.	.			trans	-126.4	165.5	172.9	-54.8	-66	175.3	160.3	0	109	Q500 D501 V522 N523	K498-Q500 VanDerWaalsContact C-N 3.27Å; K498-Q500 VanDerWaalsContact CB-NE2 3.33Å; K498-Q500 PolarHBondContact O-N 3.39Å; K498-D501 WeakPolarHBondContact O-CB 3.3Å; K498-D501 PolarHBondContact O-N 2.68Å; K498-V522 VanDerWaalsContact NZ-CG1 3.28Å; K498-V522 PolarHBondContact NZ-O 2.87Å; K498-N523 HydrophobicContact CD-CB 3.71Å
499	P	95.8	Very high	91.3	Very high	34 Å²	34	53 Å²	53	22%	0.221	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-39.2	-173.7	-25.9	35.7	0	0	0	113.4	D501 L502 N523 E525 I529	P499-D501 PolarHBondContact O-N 2.67Å; P499-L502 WeakPolarHBondContact O-CB 3.28Å; P499-L502 PolarHBondContact O-N 2.96Å; P499-N523 WeakPolarHBondContact CD-OD1 3.42Å; P499-E525 HydrophobicContact CG-CB 4.23Å; P499-E525 HydrophobicContact CG-CG 3.92Å; P499-E525 VanDerWaalsContact CG-OE2 3.3Å; P499-E525 WeakPolarHBondContact CG-OE2 3.31Å; P499-I529 HydrophobicContact CB-CD1 3.89Å; P499-I529 HydrophobicContact CG-CD1 4.33Å
500	Q	93.4	Very high	90.8	Very high	134 Å²	134	54 Å²	54	63%	0.626	28%	0.278	S	S	*	.	H	α-helix	trans	-65.6	-20.9	176.8	68.8	-82.5	9.2	0	0	114.5	K498	K498-Q500 VanDerWaalsContact C-N 3.27Å; K498-Q500 VanDerWaalsContact CB-NE2 3.33Å; K498-Q500 PolarHBondContact O-N 3.39Å
501	D	92.3	Very high	90.6	Very high	29 Å²	29	51 Å²	51	16%	0.155	26%	0.257	C	S	.	.	H	α-helix	trans	-82.5	-20.1	176.7	-76.5	-60.7	0	0	0	112.7	F497 K498 P499 V503 R504	F497-D501 HydrophobicContact CD1-CB 3.54Å; F497-D501 HydrophobicContact CE1-CB 4.02Å; K498-D501 WeakPolarHBondContact O-CB 3.3Å; K498-D501 PolarHBondContact O-N 2.68Å; P499-D501 PolarHBondContact O-N 2.67Å; D501-V503 PolarHBondContact O-N 2.92Å; D501-R504 VanDerWaalsContact O-CB 3.24Å; D501-R504 WeakPolarHBondContact O-CB 3.45Å; D501-R504 PolarHBondContact O-N 3.18Å; D501-R504 IonicContact OD1-CZ 2.76Å; D501-R504 IonicContact OD1-NH1 2.3Å; D501-R504 PolarHBondContact OD1-NH1 3.27Å
502	L	91.1	Very high	90.7	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-28.5	-176.4	-62.2	-179.3	0	0	0	113.1	F497 P499 R504 I505 Q506 F518 A526 I529	F497-L502 HydrophobicContact CD1-CD2 4.37Å; P499-L502 WeakPolarHBondContact O-CB 3.28Å; P499-L502 PolarHBondContact O-N 2.96Å; L502-R504 PolarHBondContact O-N 2.82Å; L502-I505 HydrophobicContact CD2-CD1 3.84Å; L502-I505 WeakPolarHBondContact O-CB 3.46Å; L502-I505 PolarHBondContact O-N 2.69Å; L502-Q506 PolarHBondContact O-N 3.26Å; L502-F518 HydrophobicContact CD2-CE1 4.33Å; L502-A526 HydrophobicContact CD1-CB 4.24Å; L502-A526 HydrophobicContact CD2-CB 4.32Å; L502-A526 HydrophobicContact CG-CB 4.41Å; L502-I529 HydrophobicContact CD1-CB 3.71Å; L502-I529 HydrophobicContact CD1-CD1 4.05Å; L502-I529 HydrophobicContact CD1-CG1 4.5Å; L502-I529 HydrophobicContact CD1-CG2 3.55Å
503	V	88.6	Confident	90.7	Very high	67 Å²	67	49.9 Å²	49.9	41%	0.406	25%	0.248	S	C	.	.	H	α-helix	trans	-55.3	-33.9	172.1	-179.5	0	0	0	0	111.2	D501 I505 Q506 Q507	D501-V503 PolarHBondContact O-N 2.92Å; V503-I505 VanDerWaalsContact C-N 3.25Å; V503-I505 PolarHBondContact O-N 3.21Å; V503-Q506 PolarHBondContact O-N 2.91Å; V503-Q507 HydrophobicContact CG1-CG 4.24Å; V503-Q507 WeakPolarHBondContact O-CB 3.36Å; V503-Q507 VanDerWaalsContact O-CG 3.31Å; V503-Q507 WeakPolarHBondContact O-CG 3.46Å; V503-Q507 PolarHBondContact O-N 3.18Å
504	R	85.7	Confident	90.9	Very high	109 Å²	109	49.7 Å²	49.7	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-74.7	-11.2	178	-56.5	163.5	52.8	-149.2	-9.2	113.5	N472 D501 L502 L508	N472-R504 PolarHBondContact OD1-NH1 3.34Å; N472-R504 PolarHBondContact OD1-NH2 3.26Å; D501-R504 VanDerWaalsContact O-CB 3.24Å; D501-R504 WeakPolarHBondContact O-CB 3.45Å; D501-R504 PolarHBondContact O-N 3.18Å; D501-R504 IonicContact OD1-CZ 2.76Å; D501-R504 IonicContact OD1-NH1 2.3Å; D501-R504 PolarHBondContact OD1-NH1 3.27Å; L502-R504 PolarHBondContact O-N 2.82Å; R504-L508 WeakPolarHBondContact O-CG 3.43Å
505	I	86.5	Confident	90.9	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.082	24%	0.243	C	C	.	.	H	α-helix	trans	-84.8	-47.7	169.7	-57.7	178.1	0	0	0	108.7	T347 V470 F497 L502 V503 Q507 L508 A515	T347-I505 HydrophobicContact CG2-CD1 4.13Å; T347-I505 HydrophobicContact CG2-CG2 3.55Å; V470-I505 HydrophobicContact CG1-CG1 4.42Å; V470-I505 HydrophobicContact CG2-CG2 4.46Å; F497-I505 HydrophobicContact CD1-CD1 4.19Å; F497-I505 HydrophobicContact CE1-CD1 3.76Å; F497-I505 HydrophobicContact CE1-CG1 3.86Å; F497-I505 HydrophobicContact CZ-CD1 4.01Å; F497-I505 HydrophobicContact CZ-CG1 4.14Å; L502-I505 HydrophobicContact CD2-CD1 3.84Å; L502-I505 WeakPolarHBondContact O-CB 3.46Å; L502-I505 PolarHBondContact O-N 2.69Å; V503-I505 VanDerWaalsContact C-N 3.25Å; V503-I505 PolarHBondContact O-N 3.21Å; I505-Q507 VanDerWaalsContact C-N 3.3Å; I505-Q507 PolarHBondContact O-N 3.27Å; I505-L508 PolarHBondContact O-N 2.84Å; I505-A515 HydrophobicContact CD1-CB 3.94Å
506	Q	77.6	Confident	91	Very high	126 Å²	126	50 Å²	50	59%	0.589	25%	0.245	S	C	*	.	H	α-helix	trans	-65.1	-29	-178.3	-67	177.3	-36.6	0	0	113.6	L502 V503 L508 H533	L502-Q506 PolarHBondContact O-N 3.26Å; V503-Q506 PolarHBondContact O-N 2.91Å; Q506-L508 VanDerWaalsContact C-N 3.35Å; Q506-L508 PolarHBondContact O-N 2.85Å; Q506-H533 PolarHBondContact NE2-NE2 2.9Å
507	Q	80.8	Confident	91	Very high	146 Å²	146	50.8 Å²	50.8	68%	0.682	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	7.6	-178.9	-70.6	177	-14.6	0	0	115	V503 I505	V503-Q507 HydrophobicContact CG1-CG 4.24Å; V503-Q507 WeakPolarHBondContact O-CB 3.36Å; V503-Q507 VanDerWaalsContact O-CG 3.31Å; V503-Q507 WeakPolarHBondContact O-CG 3.46Å; V503-Q507 PolarHBondContact O-N 3.18Å; I505-Q507 VanDerWaalsContact C-N 3.3Å; I505-Q507 PolarHBondContact O-N 3.27Å
508	L	81.7	Confident	91	Very high	57 Å²	57	50.7 Å²	50.7	30%	0.298	25%	0.248	S	C	.	.			trans	-83.6	123.9	-179.3	-72.2	169.5	0	0	0	112.4	V470 R504 I505 Q506 T512	V470-L508 HydrophobicContact CB-CD1 4.34Å; V470-L508 HydrophobicContact CG1-CD1 3.99Å; V470-L508 HydrophobicContact CG2-CD1 3.42Å; V470-L508 VanDerWaalsContact CG2-CD1 3.42Å; R504-L508 WeakPolarHBondContact O-CG 3.43Å; I505-L508 PolarHBondContact O-N 2.84Å; Q506-L508 VanDerWaalsContact C-N 3.35Å; Q506-L508 PolarHBondContact O-N 2.85Å; L508-T512 HydrophobicContact CD1-CG2 4.36Å
509	T	79.5	Confident	91.1	Very high	125 Å²	125	50.5 Å²	50.5	77%	0.767	25%	0.248	S	C	*	.			trans	-84.4	-13.7	175.4	52.7	0	0	0	0	114.2	A230	A230-T509 VanDerWaalsContact CB-O 3.22Å; A230-T509 WeakPolarHBondContact CB-O 3.46Å
510	R	88	Confident	91.2	Very high	77 Å²	77	49.2 Å²	49.2	29%	0.291	24%	0.239	S	C	.	.	S	Bend	trans	-89.3	146.9	172.5	65.8	169.3	176.9	111	11.5	110.4	N466 R469 T512	N466-R510 PolarHBondContact OD1-NH1 2.8Å; R469-R510 PolarHBondContact O-NH1 2.83Å; R469-R510 PolarHBondContact O-NH2 3.45Å; R510-T512 HydrophobicContact CG-CG2 4.26Å; R510-T512 PolarHBondContact O-N 2.91Å
511	P	91.1	Very high	91.4	Very high	15 Å²	15	43.7 Å²	43.7	10%	0.097	22%	0.215	C	C	.	.			trans	-61.1	127.8	175.9	22.3	-31.1	0	0	0	111.4	F356 N466 L468 F513	F356-P511 HydrophobicContact CD2-CB 4.3Å; F356-P511 HydrophobicContact CE2-CB 3.77Å; F356-P511 HydrophobicContact CE2-CG 3.8Å; F356-P511 HydrophobicContact CZ-CB 3.99Å; F356-P511 HydrophobicContact CZ-CG 3.86Å; N466-P511 PolarHBondContact ND2-O 3.38Å; L468-P511 HydrophobicContact CD2-CB 4.25Å; L468-P511 HydrophobicContact CD2-CG 4.36Å; P511-F513 HydrophobicContact CB-CE2 4.07Å
512	T	94.6	Very high	91.6	Very high	10 Å²	10	43 Å²	43	6%	0.061	21%	0.212	C	C	.	.			trans	-147.1	132.3	174.4	53.4	0	0	0	0	111.1	T347 R348 L468 V470 L508 R510	T347-T512 PolarHBondContact OG1-O 3.46Å; T347-T512 VanDerWaalsContact OG1-O 3.06Å; R348-T512 WeakPolarHBondContact CG-O 3.23Å; L468-T512 CarbonylContact O-C 3.59Å; L468-T512 VanDerWaalsContact O-CA 3.25Å; L468-T512 WeakPolarHBondContact O-CA 3.5Å; V470-T512 HydrophobicContact CG2-CG2 4.05Å; L508-T512 HydrophobicContact CD1-CG2 4.36Å; R510-T512 HydrophobicContact CG-CG2 4.26Å; R510-T512 PolarHBondContact O-N 2.91Å
513	F	97.2	Very high	91.9	Very high	9 Å²	9	43 Å²	43	4%	0.039	21%	0.212	C	C	.	.			trans	-118	-13	-172	-65.7	-89.2	0	0	0	113.8	P346 T347 R348 E352 L353 F356 L468 P511	P346-F513 CarbonylContact C-O 3.46Å; P346-F513 WeakPolarHBondContact CA-O 3.41Å; T347-F513 PolarHBondContact N-O 2.91Å; T347-F513 WeakPolarHBondContact OG1-CA 3.24Å; T347-F513 PolarHBondContact OG1-O 3.26Å; R348-F513 HydrophobicContact CB-CD1 3.59Å; R348-F513 HydrophobicContact CB-CE1 4.03Å; R348-F513 HydrophobicContact CB-CG 4.45Å; R348-F513 HydrophobicContact CG-CD1 4.01Å; R348-F513 HydrophobicContact CG-CE1 4.22Å; E352-F513 HydrophobicContact CB-CE1 3.98Å; E352-F513 WeakPolarHBondContact O-CE1 3.48Å; L353-F513 HydrophobicContact CB-CD1 3.74Å; L353-F513 HydrophobicContact CB-CE1 4.22Å; L353-F513 HydrophobicContact CB-CG 4.4Å; L353-F513 HydrophobicContact CD1-CB 3.83Å; L353-F513 HydrophobicContact CD1-CD1 3.87Å; L353-F513 HydrophobicContact CD1-CD2 4.14Å; L353-F513 HydrophobicContact CD1-CG 3.67Å; L353-F513 HydrophobicContact CG-CD1 4.42Å; F356-F513 HydrophobicContact CB-CE1 4.25Å; F356-F513 HydrophobicContact CB-CE2 3.98Å; F356-F513 HydrophobicContact CB-CZ 3.44Å; F356-F513 VanDerWaalsContact CB-CZ 3.44Å; F356-F513 HydrophobicContact CD1-CD2 4.45Å; F356-F513 AromaticContact CD1-CE2 3.53Å; F356-F513 HydrophobicContact CD1-CE2 3.53Å; F356-F513 AromaticContact CD1-CZ 3.94Å; F356-F513 HydrophobicContact CD1-CZ 3.94Å; F356-F513 HydrophobicContact CD2-CE2 4.24Å; F356-F513 HydrophobicContact CD2-CZ 4.2Å; F356-F513 HydrophobicContact CE1-CE2 4.1Å; F356-F513 AromaticContact CG-CE2 3.63Å; F356-F513 HydrophobicContact CG-CE2 3.63Å; F356-F513 AromaticContact CG-CZ 3.58Å; F356-F513 HydrophobicContact CG-CZ 3.58Å; L468-F513 HydrophobicContact CB-CD2 4.11Å; L468-F513 HydrophobicContact CD1-CD2 4.09Å; L468-F513 HydrophobicContact CD2-CD2 4.25Å; L468-F513 HydrophobicContact CD2-CE2 4.32Å; L468-F513 HydrophobicContact CG-CD2 4.37Å; L468-F513 PolarHBondContact O-N 3.12Å; P511-F513 HydrophobicContact CB-CE2 4.07Å
514	F	98.5	Very high	92.4	Very high	5 Å²	5	40 Å²	40	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.5	176.7	-58.6	-84.6	0	0	0	111.9	F248 I267 I338 L340 F345 P346 T347 L353 L468 R469 V470	F248-F514 HydrophobicContact CE1-CE1 4.45Å; F248-F514 HydrophobicContact CE1-CE2 4.48Å; F248-F514 AromaticContact CE1-CZ 3.75Å; F248-F514 HydrophobicContact CE1-CZ 3.75Å; F248-F514 HydrophobicContact CZ-CZ 4.34Å; I267-F514 HydrophobicContact CG2-CE1 4Å; I338-F514 HydrophobicContact CG2-CE2 4.34Å; L340-F514 HydrophobicContact CD1-CD1 4.32Å; L340-F514 HydrophobicContact CD1-CE1 3.98Å; L340-F514 HydrophobicContact CD2-CB 4.3Å; L340-F514 HydrophobicContact CD2-CD1 3.65Å; L340-F514 HydrophobicContact CD2-CD2 4.33Å; L340-F514 HydrophobicContact CD2-CE1 4.06Å; L340-F514 HydrophobicContact CD2-CG 3.82Å; F345-F514 CarbonylContact O-C 3.1Å; F345-F514 WeakPolarHBondContact O-CA 3.36Å; P346-F514 HydrophobicContact CB-CD1 4.18Å; P346-F514 HydrophobicContact CB-CE1 4.1Å; T347-F514 PolarHBondContact OG1-N 3.12Å; L353-F514 HydrophobicContact CD1-CE2 4.37Å; L353-F514 HydrophobicContact CD2-CE2 4Å; L353-F514 HydrophobicContact CD2-CZ 3.82Å; L468-F514 PolarHBondContact O-N 2.8Å; R469-F514 CarbonylContact C-O 3.59Å; R469-F514 VanDerWaalsContact CA-O 3.27Å; R469-F514 WeakPolarHBondContact CA-O 3.35Å; V470-F514 PolarHBondContact N-O 2.9Å
515	A	98.1	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.9	173.9	0	0	0	0	0	112.1	D344 F345 T347 V470 F497 I505 F518	D344-A515 CarbonylContact C-O 3.47Å; D344-A515 WeakPolarHBondContact CA-O 3.28Å; F345-A515 PolarHBondContact N-O 3.36Å; F345-A515 PolarHBondContact O-N 2.9Å; T347-A515 HydrophobicContact CG2-CB 3.39Å; V470-A515 HydrophobicContact CB-CB 3.94Å; V470-A515 HydrophobicContact CG2-CB 4.43Å; V470-A515 CarbonylContact O-C 3.56Å; V470-A515 VanDerWaalsContact O-CA 3.23Å; V470-A515 WeakPolarHBondContact O-CA 3.4Å; F497-A515 HydrophobicContact CE2-CB 3.82Å; F497-A515 HydrophobicContact CZ-CB 4.15Å; I505-A515 HydrophobicContact CD1-CB 3.94Å; A515-F518 HydrophobicContact CB-CE2 3.8Å; A515-F518 HydrophobicContact CB-CZ 4.14Å; A515-F518 WeakPolarHBondContact O-CE2 3.21Å
516	R	98.2	Very high	93.4	Very high	25 Å²	25	38.6 Å²	38.6	9%	0.094	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	146.8	172.9	73.6	-166.6	-50.1	-94.6	-9	113.2	S341 D344 W413 V470 T471 N472 F497	S341-R516 PolarHBondContact OG-NH2 3.02Å; D344-R516 HydrophobicContact CB-CB 4.49Å; D344-R516 VanDerWaalsContact OD1-CD 3.32Å; D344-R516 WeakPolarHBondContact OD1-CD 3.39Å; D344-R516 IonicContact OD1-NE 3.27Å; D344-R516 PolarHBondContact OD1-NE 3.13Å; D344-R516 IonicContact OD2-CZ 3.16Å; D344-R516 IonicContact OD2-NE 3.76Å; D344-R516 PolarHBondContact OD2-NE 2.83Å; D344-R516 IonicContact OD2-NH2 2.71Å; W413-R516 VanDerWaalsContact CE2-NH1 3.33Å; W413-R516 VanDerWaalsContact CZ2-CZ 3.41Å; V470-R516 PolarHBondContact O-N 3.31Å; T471-R516 WeakPolarHBondContact CA-O 3.38Å; T471-R516 HydrophobicContact CG2-CG 4.18Å; N472-R516 PolarHBondContact N-O 2.88Å; F497-R516 WeakPolarHBondContact CE2-O 3.32Å
517	K	98.2	Very high	94.4	Very high	19 Å²	19	32.6 Å²	32.6	8%	0.083	16%	0.163	C	C	.	.			cis	-107.5	158	8.1	-70.2	-179.1	62.4	-94.3	0	113.6	T343 P494 N495 D496 F497 E519	T343-K517 CarbonylContact O-C 3.6Å; T343-K517 VanDerWaalsContact O-CA 3.3Å; T343-K517 WeakPolarHBondContact O-CA 3.47Å; T343-K517 VanDerWaalsContact OG1-CE 3.28Å; T343-K517 WeakPolarHBondContact OG1-CE 3.22Å; P494-K517 HydrophobicContact CB-CG 4.36Å; N495-K517 PolarHBondContact O-N 2.91Å; D496-K517 CarbonylContact C-O 3.59Å; D496-K517 VanDerWaalsContact CA-O 3.27Å; D496-K517 WeakPolarHBondContact CA-O 3.27Å; D496-K517 WeakPolarHBondContact OD1-CB 3.43Å; D496-K517 IonicContact OD1-NZ 3.34Å; D496-K517 PolarHBondContact OD1-NZ 3.39Å; D496-K517 IonicContact OD2-NZ 3.98Å; F497-K517 WeakPolarHBondContact CD2-O 2.97Å; F497-K517 PolarHBondContact N-O 3.41Å; K517-E519 IonicContact NZ-OE1 3.93Å; K517-E519 PolarHBondContact NZ-OE1 3.08Å
518	F	98.4	Very high	95.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	14%	0.137	C	C	.	.			trans	-128.8	132.2	170.1	-62.7	-89.5	0	0	0	109.1	T343 F345 F497 L502 A515 A526 I527 L530	T343-F518 WeakPolarHBondContact CA-O 3.2Å; T343-F518 VanDerWaalsContact CB-O 3.24Å; T343-F518 WeakPolarHBondContact CB-O 3.47Å; T343-F518 WeakPolarHBondContact CG2-O 3.34Å; T343-F518 PolarHBondContact O-N 2.93Å; F345-F518 HydrophobicContact CB-CD2 3.55Å; F345-F518 HydrophobicContact CB-CE2 3.58Å; F345-F518 HydrophobicContact CB-CG 4.26Å; F345-F518 HydrophobicContact CB-CZ 4.31Å; F497-F518 HydrophobicContact CB-CD1 3.84Å; F497-F518 HydrophobicContact CB-CE1 3.49Å; F497-F518 VanDerWaalsContact CB-CE1 3.49Å; F497-F518 HydrophobicContact CB-CZ 4.03Å; F497-F518 HydrophobicContact CD2-CD2 4.47Å; F497-F518 HydrophobicContact CD2-CE1 4.1Å; F497-F518 AromaticContact CD2-CE2 3.96Å; F497-F518 HydrophobicContact CD2-CE2 3.96Å; F497-F518 AromaticContact CD2-CZ 3.74Å; F497-F518 HydrophobicContact CD2-CZ 3.74Å; F497-F518 HydrophobicContact CE2-CE2 4.48Å; F497-F518 HydrophobicContact CE2-CZ 4.41Å; F497-F518 AromaticContact CG-CE1 3.94Å; F497-F518 HydrophobicContact CG-CE1 3.94Å; F497-F518 AromaticContact CG-CZ 3.95Å; F497-F518 HydrophobicContact CG-CZ 3.95Å; L502-F518 HydrophobicContact CD2-CE1 4.33Å; A515-F518 HydrophobicContact CB-CE2 3.8Å; A515-F518 HydrophobicContact CB-CZ 4.14Å; A515-F518 WeakPolarHBondContact O-CE2 3.21Å; F518-A526 HydrophobicContact CE1-CB 4.39Å; F518-I527 HydrophobicContact CB-CD1 4.04Å; F518-I527 HydrophobicContact CB-CG1 3.96Å; F518-I527 HydrophobicContact CD1-CG1 3.76Å; F518-I527 HydrophobicContact CG-CG1 4.19Å; F518-L530 HydrophobicContact CE1-CD2 4.21Å; F518-L530 HydrophobicContact CE2-CD2 4.36Å; F518-L530 HydrophobicContact CZ-CD2 3.64Å
519	E	98.4	Very high	95.9	Very high	42 Å²	42	27.6 Å²	27.6	20%	0.196	14%	0.14	C	C	.	.			trans	-137.8	115.9	176	-76.8	-177	-162.1	0	0	108.2	T343 K517 T521 V522 N523 R670	T343-E519 HydrophobicContact CG2-CG 3.96Å; K517-E519 IonicContact NZ-OE1 3.93Å; K517-E519 PolarHBondContact NZ-OE1 3.08Å; E519-T521 PolarHBondContact O-N 3.38Å; E519-V522 HydrophobicContact CB-CB 3.87Å; E519-V522 HydrophobicContact CB-CG2 3.7Å; E519-V522 CarbonylContact O-C 3.59Å; E519-V522 WeakPolarHBondContact O-CA 3.44Å; E519-V522 WeakPolarHBondContact O-CB 3.37Å; E519-V522 PolarHBondContact O-N 2.99Å; E519-V522 VanDerWaalsContact OE2-CG2 3.28Å; E519-V522 WeakPolarHBondContact OE2-CG2 3.41Å; E519-N523 PolarHBondContact O-N 3.21Å; E519-R670 IonicContact OE1-NH2 3.6Å; E519-R670 IonicContact OE2-CZ 2.7Å; E519-R670 VanDerWaalsContact OE2-CZ 3.26Å; E519-R670 IonicContact OE2-NH1 2.68Å; E519-R670 PolarHBondContact OE2-NH1 2.79Å; E519-R670 IonicContact OE2-NH2 2.82Å; E519-R670 PolarHBondContact OE2-NH2 3.37Å
520	S	97.5	Very high	96.6	Very high	7 Å²	7	22 Å²	22	5%	0.049	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.6	-172.9	-42.3	0	0	0	0	114.1	Q259 V522 I527	Q259-S520 PolarHBondContact OE1-OG 2.93Å; S520-V522 VanDerWaalsContact C-N 3.29Å; S520-I527 WeakPolarHBondContact OG-CD1 3.41Å
521	T	97	Very high	97.1	Very high	18 Å²	18	18.4 Å²	18.4	11%	0.11	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.9	169.2	57.3	0	0	0	0	113.4	E519 Y548 F606 F672	E519-T521 PolarHBondContact O-N 3.38Å; T521-Y548 HydrophobicContact CG2-CD1 4.13Å; T521-Y548 HydrophobicContact CG2-CE1 3.64Å; T521-F606 HydrophobicContact CG2-CD2 4.48Å; T521-F606 HydrophobicContact CG2-CE2 3.68Å; T521-F606 HydrophobicContact CG2-CZ 3.95Å; T521-F672 HydrophobicContact CG2-CZ 4.5Å
522	V	97.5	Very high	97.4	Very high	15 Å²	15	19.4 Å²	19.4	9%	0.091	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-41.6	-177.4	178	0	0	0	0	111.1	D496 K498 E519 S520 E666 I668	D496-V522 HydrophobicContact CB-CG1 3.97Å; K498-V522 VanDerWaalsContact NZ-CG1 3.28Å; K498-V522 PolarHBondContact NZ-O 2.87Å; E519-V522 HydrophobicContact CB-CB 3.87Å; E519-V522 HydrophobicContact CB-CG2 3.7Å; E519-V522 CarbonylContact O-C 3.59Å; E519-V522 WeakPolarHBondContact O-CA 3.44Å; E519-V522 WeakPolarHBondContact O-CB 3.37Å; E519-V522 PolarHBondContact O-N 2.99Å; E519-V522 VanDerWaalsContact OE2-CG2 3.28Å; E519-V522 WeakPolarHBondContact OE2-CG2 3.41Å; S520-V522 VanDerWaalsContact C-N 3.29Å; V522-E666 HydrophobicContact CG1-CB 4.11Å; V522-E666 HydrophobicContact CG1-CG 3.89Å; V522-I668 HydrophobicContact CG2-CD1 3.89Å
523	N	97.8	Very high	97.4	Very high	12 Å²	12	24.5 Å²	24.5	6%	0.064	12%	0.121	C	C	.	.			trans	-161.1	122.9	159.4	-176.9	-122.2	0	0	0	110.8	K498 P499 E519 A526 E609	K498-N523 HydrophobicContact CD-CB 3.71Å; P499-N523 WeakPolarHBondContact CD-OD1 3.42Å; E519-N523 PolarHBondContact O-N 3.21Å; N523-A526 WeakPolarHBondContact OD1-CB 3.48Å; N523-A526 PolarHBondContact OD1-N 3.18Å; N523-E609 WeakPolarHBondContact CA-OE2 3.18Å; N523-E609 VanDerWaalsContact ND2-CD 3.35Å; N523-E609 PolarHBondContact ND2-OE2 2.81Å
524	Q	97.3	Very high	97.3	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.028	13%	0.125	C	C	.	.	S	Bend	trans	-91.6	-33	173.2	-177.8	170.8	-116	0	0	111.8	A526 I527 D528 A547 E609	Q524-A526 VanDerWaalsContact C-N 3.29Å; Q524-A526 PolarHBondContact O-N 3.13Å; Q524-I527 WeakPolarHBondContact O-CA 3.18Å; Q524-I527 VanDerWaalsContact O-CB 3.28Å; Q524-I527 WeakPolarHBondContact O-CB 3.42Å; Q524-I527 PolarHBondContact O-N 3.48Å; Q524-D528 PolarHBondContact O-N 3.49Å; Q524-A547 PolarHBondContact NE2-O 2.76Å; Q524-E609 WeakPolarHBondContact CA-OE1 3.36Å; Q524-E609 WeakPolarHBondContact CB-OE1 3.49Å; Q524-E609 PolarHBondContact N-OE1 2.61Å; Q524-E609 VanDerWaalsContact N-OE1 3.14Å; Q524-E609 PolarHBondContact N-OE2 2.77Å
525	E	97.6	Very high	97.2	Very high	94 Å²	94	27.1 Å²	27.1	44%	0.439	13%	0.133	S	C	.	.	H	α-helix	trans	-49.3	-43.1	178.7	-172.2	-176.1	-172.1	0	0	113.7	P499 I527 D528 I529 E609	P499-E525 HydrophobicContact CG-CB 4.23Å; P499-E525 HydrophobicContact CG-CG 3.92Å; P499-E525 VanDerWaalsContact CG-OE2 3.3Å; P499-E525 WeakPolarHBondContact CG-OE2 3.31Å; E525-I527 PolarHBondContact O-N 2.68Å; E525-D528 PolarHBondContact O-N 3.11Å; E525-D528 VanDerWaalsContact O-N 3.16Å; E525-I529 HydrophobicContact CG-CD1 4Å; E525-I529 VanDerWaalsContact O-CG1 3.32Å; E525-I529 WeakPolarHBondContact O-CG1 3.35Å; E525-I529 PolarHBondContact O-N 3.43Å; E525-E609 HydrophobicContact CB-CG 4.26Å; E525-E609 PolarHBondContact N-OE1 3.1Å
526	A	97	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-27.1	177.1	0	0	0	0	0	113.7	L502 F518 N523 Q524 L530	L502-A526 HydrophobicContact CD1-CB 4.24Å; L502-A526 HydrophobicContact CD2-CB 4.32Å; L502-A526 HydrophobicContact CG-CB 4.41Å; F518-A526 HydrophobicContact CE1-CB 4.39Å; N523-A526 WeakPolarHBondContact OD1-CB 3.48Å; N523-A526 PolarHBondContact OD1-N 3.18Å; Q524-A526 VanDerWaalsContact C-N 3.29Å; Q524-A526 PolarHBondContact O-N 3.13Å; A526-L530 WeakPolarHBondContact O-CB 3.29Å; A526-L530 PolarHBondContact O-N 2.99Å
527	I	97.9	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-79.8	-38.8	174.8	-49.2	166.9	0	0	0	109.5	F345 F518 S520 Q524 E525 L530 D531	F345-I527 HydrophobicContact CD2-CG2 4.11Å; F345-I527 HydrophobicContact CE1-CG2 4.31Å; F345-I527 HydrophobicContact CE2-CG2 3.83Å; F345-I527 HydrophobicContact CG-CG2 4.48Å; F345-I527 HydrophobicContact CZ-CG2 3.93Å; F518-I527 HydrophobicContact CB-CD1 4.04Å; F518-I527 HydrophobicContact CB-CG1 3.96Å; F518-I527 HydrophobicContact CD1-CG1 3.76Å; F518-I527 HydrophobicContact CG-CG1 4.19Å; S520-I527 WeakPolarHBondContact OG-CD1 3.41Å; Q524-I527 WeakPolarHBondContact O-CA 3.18Å; Q524-I527 VanDerWaalsContact O-CB 3.28Å; Q524-I527 WeakPolarHBondContact O-CB 3.42Å; Q524-I527 PolarHBondContact O-N 3.48Å; E525-I527 PolarHBondContact O-N 2.68Å; I527-L530 PolarHBondContact O-N 2.96Å; I527-D531 WeakPolarHBondContact O-CB 3.31Å; I527-D531 PolarHBondContact O-N 3.42Å
528	D	97.1	Very high	97	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.134	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-45.3	175.6	-71	-29.1	0	0	0	112.2	R262 Q524 E525 L530 T532	R262-D528 IonicContact CZ-OD1 3.22Å; R262-D528 IonicContact NH1-OD1 3.54Å; R262-D528 PolarHBondContact NH1-OD1 3.37Å; R262-D528 IonicContact NH2-OD1 3.58Å; R262-D528 PolarHBondContact NH2-OD1 3.03Å; Q524-D528 PolarHBondContact O-N 3.49Å; E525-D528 PolarHBondContact O-N 3.11Å; E525-D528 VanDerWaalsContact O-N 3.16Å; D528-L530 VanDerWaalsContact C-N 3.33Å; D528-L530 PolarHBondContact O-N 2.96Å; D528-T532 WeakPolarHBondContact O-CB 3.38Å; D528-T532 PolarHBondContact O-N 3.41Å; D528-T532 PolarHBondContact O-OG1 2.75Å
529	I	96.7	Very high	96.8	Very high	73 Å²	73	39.9 Å²	39.9	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-60.4	-44.1	175.6	-66.5	163.8	0	0	0	110.3	P499 L502 E525 H533	P499-I529 HydrophobicContact CB-CD1 3.89Å; P499-I529 HydrophobicContact CG-CD1 4.33Å; L502-I529 HydrophobicContact CD1-CB 3.71Å; L502-I529 HydrophobicContact CD1-CD1 4.05Å; L502-I529 HydrophobicContact CD1-CG1 4.5Å; L502-I529 HydrophobicContact CD1-CG2 3.55Å; E525-I529 HydrophobicContact CG-CD1 4Å; E525-I529 VanDerWaalsContact O-CG1 3.32Å; E525-I529 WeakPolarHBondContact O-CG1 3.35Å; E525-I529 PolarHBondContact O-N 3.43Å; I529-H533 VanDerWaalsContact O-CB 3.25Å; I529-H533 WeakPolarHBondContact O-CB 3.14Å; I529-H533 PolarHBondContact O-N 3.3Å
530	L	95.6	Very high	96.7	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-74.2	-42	-175	-169.5	53.1	0	0	0	112.8	F345 P346 T347 F518 A526 I527 D528 T532 H533 L534	F345-L530 HydrophobicContact CD1-CB 4.4Å; F345-L530 HydrophobicContact CD1-CD2 3.89Å; F345-L530 HydrophobicContact CD1-CG 4.01Å; F345-L530 HydrophobicContact CE1-CG 4.45Å; P346-L530 WeakPolarHBondContact O-CD2 3.35Å; T347-L530 HydrophobicContact CG2-CD2 4.42Å; F518-L530 HydrophobicContact CE1-CD2 4.21Å; F518-L530 HydrophobicContact CE2-CD2 4.36Å; F518-L530 HydrophobicContact CZ-CD2 3.64Å; A526-L530 WeakPolarHBondContact O-CB 3.29Å; A526-L530 PolarHBondContact O-N 2.99Å; I527-L530 PolarHBondContact O-N 2.96Å; D528-L530 VanDerWaalsContact C-N 3.33Å; D528-L530 PolarHBondContact O-N 2.96Å; L530-T532 VanDerWaalsContact C-N 3.34Å; L530-H533 PolarHBondContact O-N 3.3Å; L530-L534 HydrophobicContact CD1-CD1 4.48Å; L530-L534 WeakPolarHBondContact O-CG 3.45Å; L530-L534 PolarHBondContact O-N 3Å; L530-L534 VanDerWaalsContact O-N 3.14Å
531	D	97.4	Very high	96.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-39.4	172.6	-179.6	79.6	0	0	0	111.9	R262 F345 I527 Y535 Y538 R877	R262-D531 IonicContact NH2-OD2 2.69Å; F345-D531 HydrophobicContact CE1-CB 4.1Å; F345-D531 HydrophobicContact CZ-CB 4.07Å; I527-D531 WeakPolarHBondContact O-CB 3.31Å; I527-D531 PolarHBondContact O-N 3.42Å; D531-Y535 PolarHBondContact O-N 3.43Å; D531-Y538 WeakPolarHBondContact OD2-CE2 3.47Å; D531-R877 IonicContact OD1-CZ 3.25Å; D531-R877 IonicContact OD1-NE 3.82Å; D531-R877 PolarHBondContact OD1-NE 2.95Å; D531-R877 VanDerWaalsContact OD1-NE 3.12Å; D531-R877 IonicContact OD1-NH2 3.91Å; D531-R877 IonicContact OD2-CZ 2.66Å; D531-R877 IonicContact OD2-NE 2.87Å; D531-R877 PolarHBondContact OD2-NE 3.4Å; D531-R877 IonicContact OD2-NH2 3.17Å; D531-R877 PolarHBondContact OD2-NH2 3.3Å
532	T	96.8	Very high	96.5	Very high	37 Å²	37	48.8 Å²	48.8	23%	0.227	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-40.1	175.4	-60.1	0	0	0	0	112	D528 L530 L534 G536 H537	D528-T532 WeakPolarHBondContact O-CB 3.38Å; D528-T532 PolarHBondContact O-N 3.41Å; D528-T532 PolarHBondContact O-OG1 2.75Å; L530-T532 VanDerWaalsContact C-N 3.34Å; T532-L534 VanDerWaalsContact C-N 3.33Å; T532-L534 PolarHBondContact O-N 2.89Å; T532-G536 VanDerWaalsContact O-CA 3.24Å; T532-G536 WeakPolarHBondContact O-CA 3.36Å; T532-G536 PolarHBondContact O-N 3.16Å; T532-H537 VanDerWaalsContact CG2-CE1 3.41Å; T532-H537 WeakPolarHBondContact CG2-CE1 3.38Å; T532-H537 WeakPolarHBondContact CG2-ND1 3.33Å
533	H	95.1	Very high	96.5	Very high	116 Å²	116	51.8 Å²	51.8	54%	0.537	31%	0.306	S	S	.	.	H	α-helix	trans	-64.5	-36.8	178.9	-179.6	28.5	0	0	0	112.4	Q506 I529 L530	Q506-H533 PolarHBondContact NE2-NE2 2.9Å; I529-H533 VanDerWaalsContact O-CB 3.25Å; I529-H533 WeakPolarHBondContact O-CB 3.14Å; I529-H533 PolarHBondContact O-N 3.3Å; L530-H533 PolarHBondContact O-N 3.3Å
534	L	95.4	Very high	96.4	Very high	24 Å²	24	52.1 Å²	52.1	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-86	-35.2	-178.5	-65	178.2	0	0	0	113.8	P346 T349 L530 T532	P346-L534 HydrophobicContact CB-CD1 4.16Å; P346-L534 HydrophobicContact CG-CD1 4.22Å; P346-L534 WeakPolarHBondContact O-CD1 3.5Å; T349-L534 HydrophobicContact CG2-CD2 4.44Å; L530-L534 HydrophobicContact CD1-CD1 4.48Å; L530-L534 WeakPolarHBondContact O-CG 3.45Å; L530-L534 PolarHBondContact O-N 3Å; L530-L534 VanDerWaalsContact O-N 3.14Å; T532-L534 VanDerWaalsContact C-N 3.33Å; T532-L534 PolarHBondContact O-N 2.89Å
535	Y	96.7	Very high	96.3	Very high	45 Å²	45	54.2 Å²	54.2	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-132.4	17.6	-167.1	-51.5	-57.1	0	0	0	114.2	A266 T349 D531 R875 R877	A266-Y535 HydrophobicContact CB-CE2 3.9Å; A266-Y535 PolarHBondContact O-OH 3.48Å; T349-Y535 HydrophobicContact CG2-CE1 4.3Å; D531-Y535 PolarHBondContact O-N 3.43Å; Y535-R875 PolarHBondContact OH-NH2 3.35Å; Y535-R877 VanDerWaalsContact CB-CZ 3.47Å; Y535-R877 HydrophobicContact CD2-CG 3.82Å; Y535-R877 HydrophobicContact CG-CG 3.74Å; Y535-R877 PolarHBondContact O-NH1 3.41Å; Y535-R877 PolarHBondContact O-NH2 3.03Å
536	G	97	Very high	96.2	Very high	36 Å²	36	54.3 Å²	54.3	37%	0.371	32%	0.32	S	S	.	.			trans	68.9	172.5	178.7	0	0	0	0	0	114.2	T532 R877	T532-G536 VanDerWaalsContact O-CA 3.24Å; T532-G536 WeakPolarHBondContact O-CA 3.36Å; T532-G536 PolarHBondContact O-N 3.16Å; G536-R877 PolarHBondContact O-NH2 3.38Å
537	H	96.4	Very high	96.3	Very high	161 Å²	161	54.3 Å²	54.3	75%	0.745	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-67.8	148.3	175.5	-66.3	-78.2	0	0	0	112	T532	T532-H537 VanDerWaalsContact CG2-CE1 3.41Å; T532-H537 WeakPolarHBondContact CG2-CE1 3.38Å; T532-H537 WeakPolarHBondContact CG2-ND1 3.33Å
538	Y	95.6	Very high	96.3	Very high	50 Å²	50	54.5 Å²	54.5	20%	0.196	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-63.8	157.1	162	-74.1	-98.3	0	0	0	110.6	D531 T542 I545 K864 R877	D531-Y538 WeakPolarHBondContact OD2-CE2 3.47Å; Y538-T542 HydrophobicContact CD1-CG2 4.17Å; Y538-T542 HydrophobicContact CG-CG2 4.45Å; Y538-I545 HydrophobicContact CD1-CD1 4.36Å; Y538-I545 HydrophobicContact CD2-CD1 3.94Å; Y538-I545 HydrophobicContact CG-CD1 3.85Å; Y538-K864 HydrophobicContact CE1-CB 4.39Å; Y538-K864 HydrophobicContact CE2-CB 4.31Å; Y538-R877 WeakPolarHBondContact OH-CD 3.47Å; Y538-R877 PolarHBondContact OH-NE 3.08Å
539	A	95.9	Very high	96.4	Very high	68 Å²	68	53.4 Å²	53.4	56%	0.562	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-59	144.5	-178.2	0	0	0	0	0	112.1	G541 T542	A539-G541 PolarHBondContact O-N 2.88Å; A539-T542 PolarHBondContact N-OG1 3.36Å; A539-T542 WeakPolarHBondContact O-CB 3.44Å; A539-T542 PolarHBondContact O-N 3.34Å; A539-T542 PolarHBondContact O-OG1 3.12Å
540	P	95.3	Very high	96.5	Very high	138 Å²	138	51.2 Å²	51.2	90%	0.896	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	134	174.6	-26.6	35	0	0	0	111.9
541	G	94.3	Very high	96.6	Very high	76 Å²	76	50.9 Å²	50.9	78%	0.784	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-0.5	-175.3	0	0	0	0	0	115.4	A539 V543	A539-G541 PolarHBondContact O-N 2.88Å; G541-V543 PolarHBondContact O-N 3.19Å
542	T	96.3	Very high	96.6	Very high	40 Å²	40	53.7 Å²	53.7	25%	0.245	32%	0.316	C	S	.	.			trans	-59.3	121.4	170.9	-55.7	0	0	0	0	110.1	Y538 A539 I545 P863	Y538-T542 HydrophobicContact CD1-CG2 4.17Å; Y538-T542 HydrophobicContact CG-CG2 4.45Å; A539-T542 PolarHBondContact N-OG1 3.36Å; A539-T542 WeakPolarHBondContact O-CB 3.44Å; A539-T542 PolarHBondContact O-N 3.34Å; A539-T542 PolarHBondContact O-OG1 3.12Å; T542-I545 HydrophobicContact CG2-CD1 3.75Å; T542-I545 HydrophobicContact CG2-CG1 4.24Å; T542-P863 HydrophobicContact CG2-CB 3.96Å; T542-P863 HydrophobicContact CG2-CG 3.96Å
543	V	96.5	Very high	96.6	Very high	78 Å²	78	52 Å²	52	47%	0.473	31%	0.306	S	S	.	.	S	Bend	trans	-74.2	170.3	-178.3	-62.1	0	0	0	0	112.3	G541 I545 P861	G541-V543 PolarHBondContact O-N 3.19Å; V543-I545 PolarHBondContact O-N 3.18Å; V543-P861 HydrophobicContact CG2-CB 4.07Å
544	A	95.7	Very high	96.7	Very high	19 Å²	19	47.9 Å²	47.9	16%	0.157	29%	0.287	C	S	.	.	S	Bend	trans	59.1	5.9	168.5	0	0	0	0	0	117.7	K546 A547 W549 P861 K864	A544-K546 PolarHBondContact O-N 3.08Å; A544-A547 HydrophobicContact CB-CB 4.33Å; A544-A547 WeakPolarHBondContact O-CB 3.27Å; A544-A547 PolarHBondContact O-N 3.14Å; A544-W549 HydrophobicContact CB-CH2 3.71Å; A544-W549 HydrophobicContact CB-CZ3 3.94Å; A544-P861 WeakPolarHBondContact CB-O 3.48Å; A544-K864 PolarHBondContact O-NZ 3.26Å
545	I	95.9	Very high	96.7	Very high	50 Å²	50	51.7 Å²	51.7	26%	0.256	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-52.9	-178.1	-61.1	-61.4	0	0	0	112	Y538 T542 V543 A547 K864	Y538-I545 HydrophobicContact CD1-CD1 4.36Å; Y538-I545 HydrophobicContact CD2-CD1 3.94Å; Y538-I545 HydrophobicContact CG-CD1 3.85Å; T542-I545 HydrophobicContact CG2-CD1 3.75Å; T542-I545 HydrophobicContact CG2-CG1 4.24Å; V543-I545 PolarHBondContact O-N 3.18Å; I545-A547 VanDerWaalsContact C-N 3.27Å; I545-A547 PolarHBondContact O-N 3.21Å; I545-K864 VanDerWaalsContact O-CE 3.22Å; I545-K864 WeakPolarHBondContact O-CE 3.35Å; I545-K864 PolarHBondContact O-NZ 2.88Å
546	K	96.4	Very high	96.6	Very high	96 Å²	96	53.1 Å²	53.1	42%	0.417	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.2	177.7	-78.2	175.9	171.6	-97.7	0	115.2	A544 Y607 D608	A544-K546 PolarHBondContact O-N 3.08Å; K546-Y607 HydrophobicContact CB-CD2 4.4Å; K546-Y607 HydrophobicContact CB-CE1 4.49Å; K546-Y607 HydrophobicContact CB-CE2 4.01Å; K546-Y607 WeakPolarHBondContact O-CA 3.43Å; K546-D608 HydrophobicContact CD-CB 4.27Å; K546-D608 IonicContact NZ-OD1 2.8Å; K546-D608 PolarHBondContact NZ-OD1 3.2Å; K546-D608 IonicContact NZ-OD2 2.72Å; K546-D608 PolarHBondContact NZ-OD2 2.71Å; K546-D608 PolarHBondContact O-N 2.64Å
547	A	97.9	Very high	96.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	152.6	-177.8	0	0	0	0	0	111.7	Q524 A544 I545 W549 Y605 F606 Y607 K864	Q524-A547 PolarHBondContact NE2-O 2.76Å; A544-A547 HydrophobicContact CB-CB 4.33Å; A544-A547 WeakPolarHBondContact O-CB 3.27Å; A544-A547 PolarHBondContact O-N 3.14Å; I545-A547 VanDerWaalsContact C-N 3.27Å; I545-A547 PolarHBondContact O-N 3.21Å; A547-W549 HydrophobicContact CB-CE3 4.23Å; A547-W549 HydrophobicContact CB-CH2 3.39Å; A547-W549 HydrophobicContact CB-CZ2 3.89Å; A547-W549 HydrophobicContact CB-CZ3 3.58Å; A547-Y605 HydrophobicContact CB-CE2 4.14Å; A547-F606 CarbonylContact C-O 3.54Å; A547-F606 WeakPolarHBondContact CA-O 3.44Å; A547-Y607 HydrophobicContact CB-CD2 4.12Å; A547-K864 VanDerWaalsContact O-CE 3.28Å; A547-K864 WeakPolarHBondContact O-CE 3.42Å; A547-K864 PolarHBondContact O-NZ 3.27Å
548	Y	98.6	Very high	96.2	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.1	167.5	-178.5	-103	0	0	0	110.4	R258 Q259 T521 E550 F606	R258-Y548 HydrophobicContact CB-CE2 3.91Å; Q259-Y548 HydrophobicContact CB-CE2 4.37Å; T521-Y548 HydrophobicContact CG2-CD1 4.13Å; T521-Y548 HydrophobicContact CG2-CE1 3.64Å; Y548-E550 HydrophobicContact CE1-CB 3.82Å; Y548-E550 WeakPolarHBondContact CE1-OE2 3.14Å; Y548-E550 PolarHBondContact OH-OE2 2.92Å; Y548-F606 HydrophobicContact CD1-CD2 4.1Å; Y548-F606 PolarHBondContact N-O 3.31Å; Y548-F606 PolarHBondContact O-N 2.8Å
549	W	98.7	Very high	96	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	136	-179.8	-60.7	-94.2	0	0	0	110.9	R258 A544 A547 L604 Y605 W856 S857 A860 D862	R258-W549 WeakPolarHBondContact CD-O 3.27Å; R258-W549 VanDerWaalsContact NH1-CE3 3.25Å; A544-W549 HydrophobicContact CB-CH2 3.71Å; A544-W549 HydrophobicContact CB-CZ3 3.94Å; A547-W549 HydrophobicContact CB-CE3 4.23Å; A547-W549 HydrophobicContact CB-CH2 3.39Å; A547-W549 HydrophobicContact CB-CZ2 3.89Å; A547-W549 HydrophobicContact CB-CZ3 3.58Å; W549-L604 WeakPolarHBondContact CA-O 3.48Å; W549-Y605 AromaticContact CD1-CD2 3.64Å; W549-Y605 HydrophobicContact CD2-CD2 4.36Å; W549-Y605 AromaticContact CE2-CD2 3.75Å; W549-Y605 AromaticContact CE2-CE2 3.83Å; W549-Y605 HydrophobicContact CG-CD2 4.33Å; W549-Y605 HydrophobicContact CZ2-CD2 4.35Å; W549-Y605 AromaticContact CZ2-CE2 3.95Å; W549-Y605 HydrophobicContact CZ2-CE2 3.95Å; W549-Y605 AromaticContact NE1-CD2 3.23Å; W549-Y605 AromaticContact NE1-CE2 3.69Å; W549-Y605 AromaticContact NE1-CG 3.91Å; W549-W856 PolarHBondContact NE1-O 2.81Å; W549-S857 PolarHBondContact NE1-O 3.08Å; W549-A860 HydrophobicContact CZ2-CB 4.37Å; W549-D862 HydrophobicContact CZ3-CB 4.05Å
550	E	98.6	Very high	95.7	Very high	28 Å²	28	45.9 Å²	45.9	13%	0.131	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	117.8	178	-169.2	158.8	132.6	0	0	110.5	R255 A256 Y548 L552 H603 L604	R255-E550 HydrophobicContact CB-CG 3.75Å; A256-E550 WeakPolarHBondContact CA-OE2 3.4Å; A256-E550 WeakPolarHBondContact CB-OE2 3.41Å; Y548-E550 HydrophobicContact CE1-CB 3.82Å; Y548-E550 WeakPolarHBondContact CE1-OE2 3.14Å; Y548-E550 PolarHBondContact OH-OE2 2.92Å; E550-L552 PolarHBondContact O-N 2.76Å; E550-H603 CarbonylContact O-C 3.37Å; E550-H603 VanDerWaalsContact O-CA 3.28Å; E550-H603 WeakPolarHBondContact O-CA 3.47Å; E550-L604 PolarHBondContact N-O 2.82Å; E550-L604 VanDerWaalsContact N-O 3.14Å; E550-L604 PolarHBondContact O-N 3.05Å
551	S	97.8	Very high	95.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	119.4	176.1	171.8	0	0	0	0	109.6	R255 Y284 F553 E554 V602 H603	R255-S551 VanDerWaalsContact CB-O 3.28Å; R255-S551 WeakPolarHBondContact CB-O 3.42Å; R255-S551 WeakPolarHBondContact CG-O 3.48Å; R255-S551 PolarHBondContact NE-O 3.02Å; R255-S551 PolarHBondContact NH2-O 3.34Å; R255-S551 PolarHBondContact NH2-OG 3.06Å; Y284-S551 VanDerWaalsContact CZ-CB 3.45Å; Y284-S551 WeakPolarHBondContact OH-CB 3.39Å; S551-F553 PolarHBondContact OG-O 3.22Å; S551-E554 WeakPolarHBondContact CB-OE1 3.49Å; S551-E554 PolarHBondContact OG-OE1 2.8Å; S551-V602 CarbonylContact C-O 3.59Å; S551-V602 WeakPolarHBondContact CA-O 3.5Å; S551-H603 PolarHBondContact N-CD2 2.83Å
552	L	96.8	Very high	95.6	Very high	60 Å²	60	39.7 Å²	39.7	31%	0.314	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-33.3	167.3	-64.6	-179.9	0	0	0	111.4	E550 Y570 V602 L604 Y614	E550-L552 PolarHBondContact O-N 2.76Å; L552-Y570 WeakPolarHBondContact CD1-OH 3.41Å; L552-V602 PolarHBondContact N-O 2.77Å; L552-L604 HydrophobicContact CD1-CD2 3.92Å; L552-L604 HydrophobicContact CD1-CG 3.9Å; L552-L604 HydrophobicContact CD2-CD1 3.95Å; L552-L604 HydrophobicContact CD2-CG 4Å; L552-L604 HydrophobicContact CG-CD1 4.44Å; L552-L604 HydrophobicContact CG-CG 3.93Å; L552-Y614 HydrophobicContact CD1-CD1 4.17Å; L552-Y614 HydrophobicContact CD1-CE1 3.67Å
553	F	97.6	Very high	95.6	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.8	-173	175.5	-105.2	0	0	0	111.5	S551 S561 L562 S601 V602	S551-F553 PolarHBondContact OG-O 3.22Å; F553-S561 WeakPolarHBondContact CD2-OG 3.25Å; F553-L562 HydrophobicContact CB-CD2 3.96Å; F553-L562 HydrophobicContact CD1-CD1 4.19Å; F553-L562 HydrophobicContact CD2-CD1 4.08Å; F553-L562 HydrophobicContact CD2-CD2 3.76Å; F553-L562 HydrophobicContact CD2-CG 3.71Å; F553-L562 HydrophobicContact CE1-CD1 4.13Å; F553-L562 HydrophobicContact CE2-CD1 4.02Å; F553-L562 HydrophobicContact CE2-CD2 4.42Å; F553-L562 HydrophobicContact CE2-CG 3.86Å; F553-L562 HydrophobicContact CG-CD1 4.16Å; F553-L562 HydrophobicContact CG-CD2 3.84Å; F553-L562 HydrophobicContact CG-CG 4.11Å; F553-L562 HydrophobicContact CZ-CD1 4.03Å; F553-L562 HydrophobicContact CZ-CG 4.39Å; F553-S601 CarbonylContact O-C 3.51Å; F553-S601 WeakPolarHBondContact O-CA 3.23Å; F553-S601 WeakPolarHBondContact O-CB 3.41Å; F553-V602 HydrophobicContact CB-CB 4.35Å; F553-V602 PolarHBondContact N-O 2.95Å; F553-V602 PolarHBondContact O-N 3.49Å
554	E	96.7	Very high	95.6	Very high	30 Å²	30	38.2 Å²	38.2	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.8	163.8	-62.9	-57.7	137.2	0	0	108.6	Y284 S551 A556 D557 S601 H603 R617	Y284-E554 HydrophobicContact CD2-CB 4.48Å; Y284-E554 HydrophobicContact CD2-CG 3.48Å; Y284-E554 VanDerWaalsContact CD2-CG 3.48Å; Y284-E554 HydrophobicContact CE2-CG 3.59Å; Y284-E554 HydrophobicContact CG-CG 4.44Å; S551-E554 WeakPolarHBondContact CB-OE1 3.49Å; S551-E554 PolarHBondContact OG-OE1 2.8Å; E554-A556 PolarHBondContact O-N 3.32Å; E554-D557 WeakPolarHBondContact O-CB 3.44Å; E554-D557 PolarHBondContact O-N 3.39Å; E554-S601 WeakPolarHBondContact OE1-CB 3.42Å; E554-S601 WeakPolarHBondContact OE2-CB 3.45Å; E554-H603 IonicContact OE1-CE1 2.69Å; E554-H603 PolarHBondContact OE1-CE1 2.82Å; E554-R617 IonicContact OE2-NH2 2.79Å
555	R	95.1	Very high	95.7	Very high	104 Å²	104	38.3 Å²	38.3	39%	0.392	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-53.7	-28.7	178.5	-174.8	-172.9	-73.6	172.1	-11.1	113.3	D557 G558 V600 E619	R555-D557 PolarHBondContact O-N 3.4Å; R555-G558 WeakPolarHBondContact O-CA 3.47Å; R555-G558 PolarHBondContact O-N 2.98Å; R555-V600 WeakPolarHBondContact CB-O 3.25Å; R555-V600 PolarHBondContact N-O 2.78Å; R555-V600 VanDerWaalsContact NH2-CG2 3.34Å; R555-E619 IonicContact CZ-OE1 3.87Å; R555-E619 IonicContact NH1-OE1 3.21Å; R555-E619 PolarHBondContact NH1-OE1 2.86Å; R555-E619 IonicContact NH2-OE1 2.72Å; R555-E619 PolarHBondContact NH2-OE1 2.94Å
556	A	95.6	Very high	95.8	Very high	74 Å²	74	36.4 Å²	36.4	61%	0.612	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-69.1	-7.3	175.2	0	0	0	0	0	114.9	R287 E554	R287-A556 PolarHBondContact NH1-O 2.8Å; E554-A556 PolarHBondContact O-N 3.32Å
557	D	92.8	Very high	95.8	Very high	42 Å²	42	31.9 Å²	31.9	23%	0.225	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-89.4	-12.7	166.4	-60.9	-32.8	0	0	0	112.3	R255 R287 E554 R555	R255-D557 IonicContact CZ-OD2 2.88Å; R255-D557 IonicContact NH1-OD2 2.59Å; R255-D557 PolarHBondContact NH1-OD2 3.17Å; R255-D557 IonicContact NH2-OD2 3.98Å; R255-D557 PolarHBondContact NH2-OD2 2.67Å; R287-D557 IonicContact CZ-OD1 3.84Å; R287-D557 IonicContact NH1-OD1 3.24Å; R287-D557 PolarHBondContact NH1-OD1 2.95Å; R287-D557 IonicContact NH2-OD1 3.65Å; R287-D557 PolarHBondContact NH2-OD1 2.81Å; R287-D557 IonicContact NH2-OD2 3.26Å; E554-D557 WeakPolarHBondContact O-CB 3.44Å; E554-D557 PolarHBondContact O-N 3.39Å; R555-D557 PolarHBondContact O-N 3.4Å
558	G	93.1	Very high	95.9	Very high	30 Å²	30	31.9 Å²	31.9	31%	0.309	20%	0.204	S	C	.	.			trans	82.3	139.9	-179.8	0	0	0	0	0	113.6	R555 G560 S561	R555-G558 WeakPolarHBondContact O-CA 3.47Å; R555-G558 PolarHBondContact O-N 2.98Å; G558-G560 PolarHBondContact O-N 2.85Å; G558-S561 WeakPolarHBondContact O-CB 3.35Å; G558-S561 PolarHBondContact O-N 3.44Å; G558-S561 PolarHBondContact O-OG 3.13Å
559	V	90.7	Very high	95.8	Very high	36 Å²	36	31.7 Å²	31.7	22%	0.218	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.5	-27.5	-176	-178.8	0	0	0	0	112.9	S561 L562 L567 Y598	V559-S561 PolarHBondContact O-N 3.42Å; V559-S561 VanDerWaalsContact O-N 3.13Å; V559-L562 WeakPolarHBondContact O-CB 3.31Å; V559-L562 PolarHBondContact O-N 3.5Å; V559-L567 HydrophobicContact CG1-CD1 3.86Å; V559-L567 HydrophobicContact CG1-CD2 4.02Å; V559-Y598 HydrophobicContact CG1-CD2 4.37Å; V559-Y598 HydrophobicContact CG1-CG 4.37Å; V559-Y598 HydrophobicContact CG2-CD2 4.04Å; V559-Y598 HydrophobicContact CG2-CG 4.31Å
560	G	89.8	Confident	95.8	Very high	55 Å²	55	32.3 Å²	32.3	57%	0.567	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-60.3	-16.9	172.8	0	0	0	0	0	115.1	G558 L562 R763	G558-G560 PolarHBondContact O-N 2.85Å; G560-L562 PolarHBondContact O-N 3.3Å; G560-R763 PolarHBondContact O-NH2 2.97Å
561	S	92.5	Very high	95.8	Very high	71 Å²	71	31.4 Å²	31.4	50%	0.497	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-74.9	-11.9	173.2	88.4	0	0	0	0	113.5	F553 G558 V559	F553-S561 WeakPolarHBondContact CD2-OG 3.25Å; G558-S561 WeakPolarHBondContact O-CB 3.35Å; G558-S561 PolarHBondContact O-N 3.44Å; G558-S561 PolarHBondContact O-OG 3.13Å; V559-S561 PolarHBondContact O-N 3.42Å; V559-S561 VanDerWaalsContact O-N 3.13Å
562	L	94.9	Very high	95.8	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.068	20%	0.202	C	C	.	.	S	Bend	trans	-87.3	153.1	174	-66.7	172.7	0	0	0	111.1	F553 V559 G560 A566 L567 Y570 R763	F553-L562 HydrophobicContact CB-CD2 3.96Å; F553-L562 HydrophobicContact CD1-CD1 4.19Å; F553-L562 HydrophobicContact CD2-CD1 4.08Å; F553-L562 HydrophobicContact CD2-CD2 3.76Å; F553-L562 HydrophobicContact CD2-CG 3.71Å; F553-L562 HydrophobicContact CE1-CD1 4.13Å; F553-L562 HydrophobicContact CE2-CD1 4.02Å; F553-L562 HydrophobicContact CE2-CD2 4.42Å; F553-L562 HydrophobicContact CE2-CG 3.86Å; F553-L562 HydrophobicContact CG-CD1 4.16Å; F553-L562 HydrophobicContact CG-CD2 3.84Å; F553-L562 HydrophobicContact CG-CG 4.11Å; F553-L562 HydrophobicContact CZ-CD1 4.03Å; F553-L562 HydrophobicContact CZ-CG 4.39Å; V559-L562 WeakPolarHBondContact O-CB 3.31Å; V559-L562 PolarHBondContact O-N 3.5Å; G560-L562 PolarHBondContact O-N 3.3Å; L562-A566 HydrophobicContact CD2-CB 4.22Å; L562-L567 HydrophobicContact CB-CB 4.47Å; L562-L567 HydrophobicContact CD1-CD1 3.95Å; L562-Y570 HydrophobicContact CD2-CD2 4.3Å; L562-Y570 HydrophobicContact CD2-CE2 3.94Å; L562-R763 VanDerWaalsContact O-CZ 3.3Å; L562-R763 PolarHBondContact O-NE 2.84Å; L562-R763 PolarHBondContact O-NH2 3.28Å
563	S	96.3	Very high	95.9	Very high	59 Å²	59	28.6 Å²	28.6	41%	0.413	19%	0.188	S	C	.	.			trans	-79.9	157.2	161.9	67.1	0	0	0	0	110.4	V565 A566 L567	S563-V565 PolarHBondContact O-N 3.47Å; S563-A566 PolarHBondContact O-N 3.32Å; S563-A566 WeakPolarHBondContact OG-CB 3.41Å; S563-A566 PolarHBondContact OG-N 2.8Å; S563-A566 VanDerWaalsContact OG-N 3.15Å; S563-L567 WeakPolarHBondContact O-CB 3.42Å; S563-L567 PolarHBondContact O-N 2.87Å
564	D	97.3	Very high	95.9	Very high	29 Å²	29	28.6 Å²	28.6	16%	0.155	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-31	175.9	-65.3	-46.7	0	0	0	112.3	T568 L758 G762 R763	D564-T568 VanDerWaalsContact O-CB 3.31Å; D564-T568 WeakPolarHBondContact O-CB 3.42Å; D564-T568 PolarHBondContact O-N 3.26Å; D564-T568 PolarHBondContact O-OG1 3.42Å; D564-L758 HydrophobicContact CB-CD1 4.32Å; D564-G762 VanDerWaalsContact CG-N 3.33Å; D564-G762 PolarHBondContact OD1-N 3.31Å; D564-G762 PolarHBondContact OD2-N 3.49Å; D564-R763 WeakPolarHBondContact OD1-CA 3.05Å; D564-R763 PolarHBondContact OD1-N 3.18Å
565	V	97.6	Very high	95.9	Very high	20 Å²	20	28.5 Å²	28.5	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-51.4	173.8	-160.3	0	0	0	0	111	S563 T568 A569 V675 L758	S563-V565 PolarHBondContact O-N 3.47Å; V565-T568 PolarHBondContact O-N 2.87Å; V565-A569 WeakPolarHBondContact O-CB 3.33Å; V565-A569 PolarHBondContact O-N 2.96Å; V565-V675 HydrophobicContact CG1-CG1 3.77Å; V565-L758 HydrophobicContact CB-CD2 4.2Å; V565-L758 HydrophobicContact CG1-CD2 4.24Å; V565-L758 HydrophobicContact CG2-CD2 4Å
566	A	97.3	Very high	96	Very high	11 Å²	11	25.2 Å²	25.2	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-42.9	179.7	0	0	0	0	0	111.6	L562 S563 T568 A569 Y570	L562-A566 HydrophobicContact CD2-CB 4.22Å; S563-A566 PolarHBondContact O-N 3.32Å; S563-A566 WeakPolarHBondContact OG-CB 3.41Å; S563-A566 PolarHBondContact OG-N 2.8Å; S563-A566 VanDerWaalsContact OG-N 3.15Å; A566-T568 VanDerWaalsContact C-N 3.34Å; A566-T568 PolarHBondContact O-N 2.89Å; A566-A569 PolarHBondContact O-N 2.88Å; A566-Y570 HydrophobicContact CB-CD2 4.27Å; A566-Y570 HydrophobicContact CB-CE2 3.77Å; A566-Y570 WeakPolarHBondContact O-CB 3.19Å; A566-Y570 WeakPolarHBondContact O-CD2 3.31Å; A566-Y570 PolarHBondContact O-N 2.78Å
567	L	97.4	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-42.3	176.4	-173.3	61	0	0	0	111.8	V559 L562 S563 S571 Y598 F760 R763	V559-L567 HydrophobicContact CG1-CD1 3.86Å; V559-L567 HydrophobicContact CG1-CD2 4.02Å; L562-L567 HydrophobicContact CB-CB 4.47Å; L562-L567 HydrophobicContact CD1-CD1 3.95Å; S563-L567 WeakPolarHBondContact O-CB 3.42Å; S563-L567 PolarHBondContact O-N 2.87Å; L567-S571 VanDerWaalsContact O-CB 3.28Å; L567-S571 WeakPolarHBondContact O-CB 3.22Å; L567-S571 PolarHBondContact O-N 3.44Å; L567-S571 PolarHBondContact O-OG 2.9Å; L567-Y598 HydrophobicContact CD1-CD1 3.66Å; L567-Y598 HydrophobicContact CD1-CE1 4.16Å; L567-Y598 HydrophobicContact CD1-CG 4.3Å; L567-Y598 HydrophobicContact CD2-CD1 4.5Å; L567-Y598 HydrophobicContact CD2-CE1 4.18Å; L567-Y598 HydrophobicContact CG-CD1 4.39Å; L567-Y598 HydrophobicContact CG-CE1 4.44Å; L567-F760 HydrophobicContact CB-CD2 4.25Å; L567-F760 HydrophobicContact CD2-CB 4.34Å; L567-F760 HydrophobicContact CD2-CD1 4.28Å; L567-F760 HydrophobicContact CD2-CD2 3.87Å; L567-F760 HydrophobicContact CD2-CE2 4.25Å; L567-F760 HydrophobicContact CD2-CG 3.9Å; L567-F760 HydrophobicContact CG-CD2 3.76Å; L567-F760 HydrophobicContact CG-CE2 3.88Å; L567-F760 HydrophobicContact CG-CG 4.32Å; L567-R763 HydrophobicContact CD2-CB 4.16Å; L567-R763 HydrophobicContact CD2-CG 4.19Å
568	T	98.1	Very high	96.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-49.6	174.5	-58.3	0	0	0	0	111.4	D564 V565 A566 S571 S572 M756 P757 A759 V822	D564-T568 VanDerWaalsContact O-CB 3.31Å; D564-T568 WeakPolarHBondContact O-CB 3.42Å; D564-T568 PolarHBondContact O-N 3.26Å; D564-T568 PolarHBondContact O-OG1 3.42Å; V565-T568 PolarHBondContact O-N 2.87Å; A566-T568 VanDerWaalsContact C-N 3.34Å; A566-T568 PolarHBondContact O-N 2.89Å; T568-S571 PolarHBondContact O-N 3.46Å; T568-S572 WeakPolarHBondContact O-CB 3.15Å; T568-S572 PolarHBondContact O-N 2.8Å; T568-M756 HydrophobicContact CG2-CG 4.49Å; T568-M756 HydrophobicContact CG2-SD 4.01Å; T568-P757 WeakPolarHBondContact CG2-O 3.26Å; T568-A759 HydrophobicContact CG2-CB 3.87Å; T568-A759 PolarHBondContact OG1-N 2.98Å; T568-V822 HydrophobicContact CG2-CG1 3.68Å; T568-V822 HydrophobicContact CG2-CG2 4.26Å
569	A	98.1	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60	-53.2	-177.7	0	0	0	0	0	112.1	V565 A566 S571 S572 F573 V675 M756	V565-A569 WeakPolarHBondContact O-CB 3.33Å; V565-A569 PolarHBondContact O-N 2.96Å; A566-A569 PolarHBondContact O-N 2.88Å; A569-S571 VanDerWaalsContact C-N 3.35Å; A569-S571 PolarHBondContact O-N 3.28Å; A569-S572 WeakPolarHBondContact O-CB 3.33Å; A569-S572 PolarHBondContact O-N 3.31Å; A569-S572 VanDerWaalsContact O-N 3.1Å; A569-F573 HydrophobicContact CB-CE2 4.12Å; A569-F573 HydrophobicContact CB-CZ 4.11Å; A569-F573 WeakPolarHBondContact O-CD2 3.43Å; A569-F573 WeakPolarHBondContact O-CG 3.34Å; A569-F573 PolarHBondContact O-N 2.86Å; A569-V675 HydrophobicContact CB-CG1 3.65Å; A569-V675 HydrophobicContact CB-CG2 4.32Å; A569-M756 VanDerWaalsContact CA-SD 3.56Å; A569-M756 HydrophobicContact CB-CE 3.56Å; A569-M756 HydrophobicContact CB-SD 3.74Å
570	Y	98.2	Very high	96	Very high	14 Å²	14	24 Å²	24	6%	0.055	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-37.5	-177.3	-55.8	-28.8	0	0	0	112.1	L552 L562 A566 S572 F573 F574 V602 Y614 V616	L552-Y570 WeakPolarHBondContact CD1-OH 3.41Å; L562-Y570 HydrophobicContact CD2-CD2 4.3Å; L562-Y570 HydrophobicContact CD2-CE2 3.94Å; A566-Y570 HydrophobicContact CB-CD2 4.27Å; A566-Y570 HydrophobicContact CB-CE2 3.77Å; A566-Y570 WeakPolarHBondContact O-CB 3.19Å; A566-Y570 WeakPolarHBondContact O-CD2 3.31Å; A566-Y570 PolarHBondContact O-N 2.78Å; Y570-S572 VanDerWaalsContact C-N 3.33Å; Y570-S572 PolarHBondContact O-N 3.49Å; Y570-F573 AromaticContact CD1-CD2 3.85Å; Y570-F573 HydrophobicContact CD1-CD2 3.85Å; Y570-F573 AromaticContact CD1-CE2 3.82Å; Y570-F573 HydrophobicContact CD1-CE2 3.82Å; Y570-F573 HydrophobicContact CE1-CE2 4.21Å; Y570-F574 PolarHBondContact O-N 2.84Å; Y570-F574 VanDerWaalsContact O-N 3.1Å; Y570-V602 HydrophobicContact CD1-CG1 4.01Å; Y570-V602 HydrophobicContact CD1-CG2 4.45Å; Y570-V602 HydrophobicContact CD2-CB 4.26Å; Y570-V602 HydrophobicContact CD2-CG1 4.24Å; Y570-V602 HydrophobicContact CD2-CG2 3.63Å; Y570-V602 HydrophobicContact CE1-CG1 3.83Å; Y570-V602 HydrophobicContact CE2-CB 4.17Å; Y570-V602 HydrophobicContact CE2-CG1 4.03Å; Y570-V602 HydrophobicContact CE2-CG2 4.06Å; Y570-V602 HydrophobicContact CG-CG1 4.23Å; Y570-V602 HydrophobicContact CG-CG2 3.85Å; Y570-Y614 HydrophobicContact CE1-CD1 4.12Å; Y570-Y614 HydrophobicContact CE1-CD2 4.39Å; Y570-Y614 HydrophobicContact CE1-CE1 4.2Å; Y570-Y614 HydrophobicContact CE1-CE2 4.45Å; Y570-Y614 HydrophobicContact CE1-CG 4.21Å; Y570-V616 HydrophobicContact CD1-CG2 4.32Å
571	S	97.7	Very high	95.9	Very high	10 Å²	10	21.9 Å²	21.9	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-38.8	172.8	-55.7	0	0	0	0	111.9	L567 T568 A569 R575	L567-S571 VanDerWaalsContact O-CB 3.28Å; L567-S571 WeakPolarHBondContact O-CB 3.22Å; L567-S571 PolarHBondContact O-N 3.44Å; L567-S571 PolarHBondContact O-OG 2.9Å; T568-S571 PolarHBondContact O-N 3.46Å; A569-S571 VanDerWaalsContact C-N 3.35Å; A569-S571 PolarHBondContact O-N 3.28Å; S571-R575 WeakPolarHBondContact O-CG 3.36Å; S571-R575 PolarHBondContact O-N 2.84Å; S571-R575 VanDerWaalsContact O-N 3.1Å
572	S	98.3	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.4	-45	178	-169.6	0	0	0	0	112.7	T568 A569 Y570 F574 R575 L576 D823	T568-S572 WeakPolarHBondContact O-CB 3.15Å; T568-S572 PolarHBondContact O-N 2.8Å; A569-S572 WeakPolarHBondContact O-CB 3.33Å; A569-S572 PolarHBondContact O-N 3.31Å; A569-S572 VanDerWaalsContact O-N 3.1Å; Y570-S572 VanDerWaalsContact C-N 3.33Å; Y570-S572 PolarHBondContact O-N 3.49Å; S572-F574 VanDerWaalsContact C-N 3.27Å; S572-F574 PolarHBondContact O-N 2.69Å; S572-R575 PolarHBondContact O-N 2.68Å; S572-L576 WeakPolarHBondContact O-CB 3.42Å; S572-L576 WeakPolarHBondContact O-CG 3.38Å; S572-L576 PolarHBondContact O-N 2.6Å; S572-D823 WeakPolarHBondContact CA-OD1 3.46Å; S572-D823 WeakPolarHBondContact CB-OD1 3.42Å; S572-D823 WeakPolarHBondContact OG-CA 3.43Å; S572-D823 PolarHBondContact OG-OD1 2.91Å
573	F	98.4	Very high	94.6	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-53	-45.7	172.9	-63.7	-22.8	0	0	0	111.5	A569 Y570 L576 G577 Y614 V616 A635 V675 V826 W830	A569-F573 HydrophobicContact CB-CE2 4.12Å; A569-F573 HydrophobicContact CB-CZ 4.11Å; A569-F573 WeakPolarHBondContact O-CD2 3.43Å; A569-F573 WeakPolarHBondContact O-CG 3.34Å; A569-F573 PolarHBondContact O-N 2.86Å; Y570-F573 AromaticContact CD1-CD2 3.85Å; Y570-F573 HydrophobicContact CD1-CD2 3.85Å; Y570-F573 AromaticContact CD1-CE2 3.82Å; Y570-F573 HydrophobicContact CD1-CE2 3.82Å; Y570-F573 HydrophobicContact CE1-CE2 4.21Å; F573-L576 PolarHBondContact O-N 2.77Å; F573-G577 PolarHBondContact O-N 2.8Å; F573-Y614 HydrophobicContact CD2-CD2 4.17Å; F573-Y614 AromaticContact CE2-CD2 3.38Å; F573-Y614 HydrophobicContact CE2-CD2 3.38Å; F573-Y614 AromaticContact CE2-CE2 3.91Å; F573-Y614 HydrophobicContact CE2-CE2 3.91Å; F573-Y614 HydrophobicContact CE2-CG 4.17Å; F573-Y614 AromaticContact CZ-CD2 4Å; F573-Y614 HydrophobicContact CZ-CD2 4Å; F573-Y614 HydrophobicContact CZ-CE2 4.26Å; F573-V616 HydrophobicContact CB-CG2 4.17Å; F573-V616 HydrophobicContact CD2-CG2 4.09Å; F573-A635 HydrophobicContact CB-CB 3.75Å; F573-A635 HydrophobicContact CD1-CB 4.12Å; F573-A635 HydrophobicContact CD2-CB 4.12Å; F573-A635 HydrophobicContact CG-CB 3.74Å; F573-V675 HydrophobicContact CZ-CG2 4.33Å; F573-V826 HydrophobicContact CD1-CG1 3.67Å; F573-V826 HydrophobicContact CE1-CG1 3.6Å; F573-W830 HydrophobicContact CD1-CB 4.41Å; F573-W830 HydrophobicContact CD1-CD2 4.26Å; F573-W830 HydrophobicContact CD1-CE3 4.46Å; F573-W830 HydrophobicContact CD1-CG 4.22Å; F573-W830 HydrophobicContact CE1-CB 4.15Å; F573-W830 AromaticContact CE1-CD1 3.76Å; F573-W830 AromaticContact CE1-CD2 3.41Å; F573-W830 HydrophobicContact CE1-CD2 3.41Å; F573-W830 VanDerWaalsContact CE1-CD2 3.41Å; F573-W830 AromaticContact CE1-CE2 3.67Å; F573-W830 AromaticContact CE1-CE3 3.88Å; F573-W830 HydrophobicContact CE1-CE3 3.88Å; F573-W830 AromaticContact CE1-CG 3.51Å; F573-W830 HydrophobicContact CE1-CG 3.51Å; F573-W830 HydrophobicContact CE1-CZ2 4.33Å; F573-W830 AromaticContact CE1-NE1 3.84Å; F573-W830 AromaticContact CZ-CD2 3.71Å; F573-W830 HydrophobicContact CZ-CD2 3.71Å; F573-W830 AromaticContact CZ-CE2 3.59Å; F573-W830 AromaticContact CZ-CE3 3.98Å; F573-W830 HydrophobicContact CZ-CE3 3.98Å; F573-W830 HydrophobicContact CZ-CG 4.26Å; F573-W830 HydrophobicContact CZ-CH2 4.1Å; F573-W830 AromaticContact CZ-CZ2 3.79Å; F573-W830 HydrophobicContact CZ-CZ2 3.79Å; F573-W830 HydrophobicContact CZ-CZ3 4.17Å
574	F	98.1	Very high	93.2	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-43.4	179.2	-163.6	-102.2	0	0	0	112.5	Y570 S572 L576 G577 L578 P595 V616 Q618 V620 V631 V633	Y570-F574 PolarHBondContact O-N 2.84Å; Y570-F574 VanDerWaalsContact O-N 3.1Å; S572-F574 VanDerWaalsContact C-N 3.27Å; S572-F574 PolarHBondContact O-N 2.69Å; F574-L576 VanDerWaalsContact C-N 3.34Å; F574-L576 PolarHBondContact O-N 2.7Å; F574-G577 WeakPolarHBondContact O-CA 3.4Å; F574-G577 PolarHBondContact O-N 2.7Å; F574-L578 HydrophobicContact CD1-CD1 4.17Å; F574-L578 HydrophobicContact CD1-CG 4.36Å; F574-L578 HydrophobicContact CE1-CD1 3.81Å; F574-L578 HydrophobicContact CE1-CD2 4.23Å; F574-L578 HydrophobicContact CE1-CG 4.09Å; F574-L578 HydrophobicContact CZ-CD2 4.28Å; F574-L578 PolarHBondContact O-N 3.33Å; F574-P595 HydrophobicContact CD1-CB 3.97Å; F574-P595 HydrophobicContact CE1-CB 3.98Å; F574-V616 HydrophobicContact CB-CG1 4.07Å; F574-V616 HydrophobicContact CD2-CG1 4.17Å; F574-V616 HydrophobicContact CG-CG1 4.48Å; F574-Q618 HydrophobicContact CD1-CB 3.92Å; F574-Q618 HydrophobicContact CD1-CG 4.29Å; F574-Q618 HydrophobicContact CD2-CB 3.94Å; F574-Q618 HydrophobicContact CE1-CB 3.71Å; F574-Q618 HydrophobicContact CE1-CG 4.11Å; F574-Q618 HydrophobicContact CE2-CB 3.74Å; F574-Q618 HydrophobicContact CG-CB 4.04Å; F574-Q618 HydrophobicContact CZ-CB 3.63Å; F574-Q618 HydrophobicContact CZ-CG 4.46Å; F574-V620 HydrophobicContact CE1-CG1 3.57Å; F574-V620 HydrophobicContact CZ-CG1 3.67Å; F574-V631 HydrophobicContact CE2-CB 4.32Å; F574-V631 HydrophobicContact CE2-CG1 4.34Å; F574-V631 WeakPolarHBondContact CE2-O 3.28Å; F574-V631 HydrophobicContact CZ-CB 4.12Å; F574-V631 HydrophobicContact CZ-CG1 4.43Å; F574-V633 HydrophobicContact CD2-CB 4.02Å; F574-V633 HydrophobicContact CD2-CG2 3.47Å; F574-V633 VanDerWaalsContact CD2-CG2 3.47Å; F574-V633 HydrophobicContact CE2-CB 4.41Å; F574-V633 HydrophobicContact CE2-CG2 3.55Å; F574-V633 HydrophobicContact CG-CG2 4.37Å
575	R	97.1	Very high	91.6	Very high	27 Å²	27	28.1 Å²	28.1	10%	0.102	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-38.6	174.4	-73.2	-171.2	-56.3	-108.3	-7.7	112.8	S571 S572 L578 R579 P595 E819 D823	S571-R575 WeakPolarHBondContact O-CG 3.36Å; S571-R575 PolarHBondContact O-N 2.84Å; S571-R575 VanDerWaalsContact O-N 3.1Å; S572-R575 PolarHBondContact O-N 2.68Å; R575-L578 PolarHBondContact O-N 3.36Å; R575-R579 WeakPolarHBondContact O-CG 3.15Å; R575-R579 PolarHBondContact O-N 3.21Å; R575-P595 HydrophobicContact CG-CG 4.5Å; R575-E819 IonicContact CZ-OE1 3.71Å; R575-E819 IonicContact NH1-OE1 3.42Å; R575-E819 PolarHBondContact NH1-OE1 3.19Å; R575-D823 IonicContact CZ-OD1 3.32Å; R575-D823 IonicContact CZ-OD2 2.88Å; R575-D823 IonicContact NE-OD1 3.66Å; R575-D823 PolarHBondContact NE-OD1 3.39Å; R575-D823 IonicContact NE-OD2 3.14Å; R575-D823 PolarHBondContact NE-OD2 2.94Å; R575-D823 IonicContact NH2-OD1 2.86Å; R575-D823 PolarHBondContact NH2-OD1 2.89Å; R575-D823 IonicContact NH2-OD2 2.8Å
576	L	96.5	Very high	89.4	Confident	36 Å²	36	34.2 Å²	34.2	19%	0.188	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-38.5	174.7	-72.1	169.3	0	0	0	111.6	S572 F573 F574 R579 S580 D823 V826 T832	S572-L576 WeakPolarHBondContact O-CB 3.42Å; S572-L576 WeakPolarHBondContact O-CG 3.38Å; S572-L576 PolarHBondContact O-N 2.6Å; F573-L576 PolarHBondContact O-N 2.77Å; F574-L576 VanDerWaalsContact C-N 3.34Å; F574-L576 PolarHBondContact O-N 2.7Å; L576-R579 PolarHBondContact O-N 3.45Å; L576-S580 WeakPolarHBondContact O-CB 3.42Å; L576-S580 PolarHBondContact O-N 2.92Å; L576-S580 PolarHBondContact O-OG 2.84Å; L576-D823 HydrophobicContact CD2-CB 4.23Å; L576-D823 HydrophobicContact CG-CB 4.47Å; L576-V826 HydrophobicContact CD1-CB 4.05Å; L576-V826 HydrophobicContact CD1-CG1 3.67Å; L576-T832 PolarHBondContact O-OG1 3.02Å
577	G	95.9	Very high	87	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-52.6	-58.4	168.5	0	0	0	0	0	112.3	F573 F574 R579 S580 L581 T832	F573-G577 PolarHBondContact O-N 2.8Å; F574-G577 WeakPolarHBondContact O-CA 3.4Å; F574-G577 PolarHBondContact O-N 2.7Å; G577-R579 VanDerWaalsContact C-N 3.35Å; G577-R579 PolarHBondContact O-N 3.07Å; G577-S580 PolarHBondContact O-N 3.37Å; G577-S580 VanDerWaalsContact O-N 3.08Å; G577-S580 PolarHBondContact O-OG 3.48Å; G577-L581 PolarHBondContact O-N 3.34Å; G577-L581 VanDerWaalsContact O-N 3.13Å; G577-T832 WeakPolarHBondContact CA-OG1 3.33Å
578	L	94.3	Very high	85.1	Confident	12 Å²	12	43.8 Å²	43.8	6%	0.063	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-41.7	-178.6	-59.6	-175.9	0	0	0	112.6	F574 R575 S580 L581 E582 P595 V620 L835	F574-L578 HydrophobicContact CD1-CD1 4.17Å; F574-L578 HydrophobicContact CD1-CG 4.36Å; F574-L578 HydrophobicContact CE1-CD1 3.81Å; F574-L578 HydrophobicContact CE1-CD2 4.23Å; F574-L578 HydrophobicContact CE1-CG 4.09Å; F574-L578 HydrophobicContact CZ-CD2 4.28Å; F574-L578 PolarHBondContact O-N 3.33Å; R575-L578 PolarHBondContact O-N 3.36Å; L578-S580 VanDerWaalsContact C-N 3.33Å; L578-S580 PolarHBondContact O-N 2.98Å; L578-L581 WeakPolarHBondContact O-CB 3.32Å; L578-L581 PolarHBondContact O-N 2.7Å; L578-E582 PolarHBondContact O-N 3.01Å; L578-E582 VanDerWaalsContact O-N 3.11Å; L578-P595 HydrophobicContact CD1-CB 4.22Å; L578-P595 HydrophobicContact CD1-CG 4.4Å; L578-V620 HydrophobicContact CD1-CG1 3.98Å; L578-V620 HydrophobicContact CD2-CG1 4.11Å; L578-L835 HydrophobicContact CD2-CD2 4.49Å
579	R	92.1	Very high	83.5	Confident	109 Å²	109	50.3 Å²	50.3	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-64.6	-34.9	175	-71.1	-171.8	-165.1	122.7	12.2	113.1	R575 L576 G577 L581 E582 S583 D823	R575-R579 WeakPolarHBondContact O-CG 3.15Å; R575-R579 PolarHBondContact O-N 3.21Å; L576-R579 PolarHBondContact O-N 3.45Å; G577-R579 VanDerWaalsContact C-N 3.35Å; G577-R579 PolarHBondContact O-N 3.07Å; R579-L581 VanDerWaalsContact C-N 3.32Å; R579-E582 PolarHBondContact O-N 3.45Å; R579-S583 PolarHBondContact O-N 3.24Å; R579-S583 PolarHBondContact O-OG 3.25Å; R579-D823 IonicContact CZ-OD2 2.68Å; R579-D823 IonicContact NH1-OD2 3.67Å; R579-D823 PolarHBondContact NH1-OD2 2.92Å; R579-D823 IonicContact NH2-OD2 2.67Å; R579-D823 PolarHBondContact NH2-OD2 2.81Å
580	S	91.3	Very high	82.2	Confident	36 Å²	36	52.4 Å²	52.4	25%	0.252	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-37.1	176.1	64.1	0	0	0	0	112	L576 G577 L578 S583 S584 T832	L576-S580 WeakPolarHBondContact O-CB 3.42Å; L576-S580 PolarHBondContact O-N 2.92Å; L576-S580 PolarHBondContact O-OG 2.84Å; G577-S580 PolarHBondContact O-N 3.37Å; G577-S580 VanDerWaalsContact O-N 3.08Å; G577-S580 PolarHBondContact O-OG 3.48Å; L578-S580 VanDerWaalsContact C-N 3.33Å; L578-S580 PolarHBondContact O-N 2.98Å; S580-S583 WeakPolarHBondContact CA-OG 3.45Å; S580-S583 PolarHBondContact O-N 3.43Å; S580-S583 PolarHBondContact O-OG 2.76Å; S580-S584 WeakPolarHBondContact O-CB 3.22Å; S580-S584 PolarHBondContact O-N 2.71Å; S580-S584 VanDerWaalsContact O-N 3.1Å; S580-T832 WeakPolarHBondContact OG-CB 3.26Å; S580-T832 WeakPolarHBondContact OG-CG2 3.5Å; S580-T832 PolarHBondContact OG-OG1 2.7Å
581	L	87	Confident	81.4	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.052	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-45.9	172	-174.1	68.5	0	0	0	111.3	G577 L578 R579 S584 C591 Y593 L835 L848	G577-L581 PolarHBondContact O-N 3.34Å; G577-L581 VanDerWaalsContact O-N 3.13Å; L578-L581 WeakPolarHBondContact O-CB 3.32Å; L578-L581 PolarHBondContact O-N 2.7Å; R579-L581 VanDerWaalsContact C-N 3.32Å; L581-S584 PolarHBondContact O-N 3.45Å; L581-S584 PolarHBondContact O-OG 3.44Å; L581-C591 HydrophobicContact CD2-CB 4.1Å; L581-C591 HydrophobicContact CG-CB 4.1Å; L581-Y593 HydrophobicContact CD2-CD2 4.04Å; L581-Y593 HydrophobicContact CD2-CE2 4.08Å; L581-L835 HydrophobicContact CB-CD2 4.35Å; L581-L848 HydrophobicContact CD1-CD2 4.31Å; L581-L848 HydrophobicContact CD2-CD1 4.17Å; L581-L848 HydrophobicContact CD2-CD2 4.15Å; L581-L848 HydrophobicContact CD2-CG 4.16Å
582	E	82.8	Confident	81	Confident	79 Å²	79	56.6 Å²	56.6	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-43	175.8	-66.3	-175.2	146.6	0	0	112.7	L578 R579 S584 R592	L578-E582 PolarHBondContact O-N 3.01Å; L578-E582 VanDerWaalsContact O-N 3.11Å; R579-E582 PolarHBondContact O-N 3.45Å; E582-S584 PolarHBondContact O-N 3.28Å; E582-R592 HydrophobicContact CG-CG 4.26Å; E582-R592 WeakPolarHBondContact OE1-CD 3.22Å; E582-R592 VanDerWaalsContact OE1-CG 3.28Å; E582-R592 WeakPolarHBondContact OE1-CG 3.36Å
583	S	76.3	Confident	80.6	Confident	101 Å²	101	57.1 Å²	57.1	71%	0.706	31%	0.31	S	S	*	.	H	α-helix	trans	-71.4	-17.3	179.9	69.1	0	0	0	0	114.3	R579 S580	R579-S583 PolarHBondContact O-N 3.24Å; R579-S583 PolarHBondContact O-OG 3.25Å; S580-S583 WeakPolarHBondContact CA-OG 3.45Å; S580-S583 PolarHBondContact O-N 3.43Å; S580-S583 PolarHBondContact O-OG 2.76Å
584	S	68	Low	80.3	Confident	77 Å²	77	62.8 Å²	62.8	54%	0.538	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.1	-178.7	74.7	0	0	0	0	114.2	S580 L581 E582	S580-S584 WeakPolarHBondContact O-CB 3.22Å; S580-S584 PolarHBondContact O-N 2.71Å; S580-S584 VanDerWaalsContact O-N 3.1Å; L581-S584 PolarHBondContact O-N 3.45Å; L581-S584 PolarHBondContact O-OG 3.44Å; E582-S584 PolarHBondContact O-N 3.28Å
585	Q	62.8	Low	80.1	Confident	46 Å²	46	65.4 Å²	65.4	22%	0.215	35%	0.353	C	S	.	.			trans	-116.1	128.3	-177.7	-67.9	-161.9	0.3	0	0	112.6	C591 S847	Q585-C591 PolarHBondContact NE2-SG 2.94Å; Q585-C591 VanDerWaalsContact NE2-SG 3.45Å; Q585-S847 PolarHBondContact NE2-OG 3.17Å
586	T	51.3	Low	80	Confident	148 Å²	148	66 Å²	66	91%	0.908	36%	0.358	S	S	*	.	S	Bend	trans	-85.1	-6.3	-172.8	-15.5	0	0	0	0	115.4
587	S	47.9	Very low	79.8	Confident	109 Å²	109	67.1 Å²	67.1	76%	0.762	38%	0.379	S	S	*	.	S	Bend	trans	-158.4	0.1	-167.7	59.6	0	0	0	0	118.9
588	L	56.7	Low	79.7	Confident	103 Å²	103	70.9 Å²	70.9	54%	0.539	39%	0.393	S	S	.	.			trans	-127	119.5	-172.1	-78.5	165.9	0	0	0	113.4	T590	L588-T590 HydrophobicContact CB-CG2 4.43Å; L588-T590 HydrophobicContact CD2-CG2 4.25Å; L588-T590 PolarHBondContact O-N 3.31Å
589	E	64.9	Low	79.8	Confident	136 Å²	136	70.3 Å²	70.3	64%	0.636	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-69.3	0.9	174.6	-53.7	-163.1	122.3	0	0	113.5	C591 R592	E589-C591 PolarHBondContact O-N 2.95Å; E589-C591 VanDerWaalsContact O-N 3.1Å; E589-R592 PolarHBondContact O-N 3.48Å; E589-R592 IonicContact OE1-CZ 2.77Å; E589-R592 IonicContact OE1-NH1 3.49Å; E589-R592 PolarHBondContact OE1-NH1 2.89Å; E589-R592 IonicContact OE1-NH2 2.72Å
590	T	71.1	Confident	80	Confident	44 Å²	44	66.4 Å²	66.4	27%	0.27	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17	-172.6	53.9	0	0	0	0	114.6	L588 K622	L588-T590 HydrophobicContact CB-CG2 4.43Å; L588-T590 HydrophobicContact CD2-CG2 4.25Å; L588-T590 PolarHBondContact O-N 3.31Å; T590-K622 WeakPolarHBondContact O-CE 3.31Å; T590-K622 PolarHBondContact O-NZ 3.11Å
591	C	80.9	Confident	80.4	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.027	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-117.5	17.6	-174.2	-65.5	0	0	0	0	114	L581 Q585 E589 Y593 C845	L581-C591 HydrophobicContact CD2-CB 4.1Å; L581-C591 HydrophobicContact CG-CB 4.1Å; Q585-C591 PolarHBondContact NE2-SG 2.94Å; Q585-C591 VanDerWaalsContact NE2-SG 3.45Å; E589-C591 PolarHBondContact O-N 2.95Å; E589-C591 VanDerWaalsContact O-N 3.1Å; C591-Y593 WeakPolarHBondContact O-CD2 3.39Å; C591-C845 HydrophobicContact CB-CB 3.88Å; C591-C845 WeakPolarHBondContact CB-SG 3.44Å; C591-C845 VanDerWaalsContact SG-CA 3.59Å; C591-C845 WeakPolarHBondContact SG-CB 3.5Å; C591-C845 CovalentContact SG-SG 2.03Å; C591-C845 PolarHBondContact SG-SG 3.28Å
592	R	88.3	Confident	80.9	Confident	108 Å²	108	64.2 Å²	64.2	41%	0.408	36%	0.364	S	S	.	.			trans	-80.2	130.3	171.2	-65.9	-154.2	-179.3	119.5	3.3	111.4	E582 E589 V623	E582-R592 HydrophobicContact CG-CG 4.26Å; E582-R592 WeakPolarHBondContact OE1-CD 3.22Å; E582-R592 VanDerWaalsContact OE1-CG 3.28Å; E582-R592 WeakPolarHBondContact OE1-CG 3.36Å; E589-R592 PolarHBondContact O-N 3.48Å; E589-R592 IonicContact OE1-CZ 2.77Å; E589-R592 IonicContact OE1-NH1 3.49Å; E589-R592 PolarHBondContact OE1-NH1 2.89Å; E589-R592 IonicContact OE1-NH2 2.72Å; R592-V623 HydrophobicContact CB-CB 3.94Å; R592-V623 HydrophobicContact CB-CG2 3.86Å; R592-V623 PolarHBondContact O-N 3.14Å
593	Y	90.6	Very high	81.7	Confident	12 Å²	12	60.9 Å²	60.9	5%	0.047	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.5	-174.3	-73	-81.5	0	0	0	112.3	L581 C591 V620 Q621 K622 E629 C845 L848	L581-Y593 HydrophobicContact CD2-CD2 4.04Å; L581-Y593 HydrophobicContact CD2-CE2 4.08Å; C591-Y593 WeakPolarHBondContact O-CD2 3.39Å; Y593-V620 HydrophobicContact CD1-CB 3.81Å; Y593-V620 HydrophobicContact CD1-CG2 3.51Å; Y593-V620 HydrophobicContact CE1-CG2 3.89Å; Y593-V620 HydrophobicContact CG-CB 4.27Å; Y593-V620 HydrophobicContact CG-CG2 4.18Å; Y593-Q621 WeakPolarHBondContact CA-O 3.46Å; Y593-K622 HydrophobicContact CD1-CB 4.08Å; Y593-K622 HydrophobicContact CE1-CB 3.84Å; Y593-E629 HydrophobicContact CE1-CG 4.2Å; Y593-E629 WeakPolarHBondContact CE1-OE1 3.3Å; Y593-E629 VanDerWaalsContact CZ-OE1 3.24Å; Y593-E629 PolarHBondContact OH-OE1 2.92Å; Y593-C845 HydrophobicContact CE2-CB 3.69Å; Y593-C845 WeakPolarHBondContact OH-CB 3.38Å; Y593-C845 PolarHBondContact OH-N 3.02Å; Y593-L848 HydrophobicContact CE2-CD1 3.94Å
594	E	92.3	Very high	82.7	Confident	121 Å²	121	56.3 Å²	56.3	57%	0.565	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.2	169.8	-73.3	174.2	-173.7	0	0	110.2	V620 Q621 V623	E594-V620 CarbonylContact O-C 3.48Å; E594-V620 VanDerWaalsContact O-CA 3.29Å; E594-V620 WeakPolarHBondContact O-CA 3.31Å; E594-Q621 PolarHBondContact N-O 3.47Å; E594-Q621 PolarHBondContact O-N 3.32Å; E594-V623 HydrophobicContact CG-CG2 3.99Å
595	P	95.1	Very high	84.2	Confident	56 Å²	56	53.1 Å²	53.1	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.3	178.2	30.6	-34.1	0	0	0	111.3	F574 R575 L578	F574-P595 HydrophobicContact CD1-CB 3.97Å; F574-P595 HydrophobicContact CE1-CB 3.98Å; R575-P595 HydrophobicContact CG-CG 4.5Å; L578-P595 HydrophobicContact CD1-CB 4.22Å; L578-P595 HydrophobicContact CD1-CG 4.4Å
596	I	94.4	Very high	85.9	Confident	39 Å²	39	51.5 Å²	51.5	20%	0.2	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-96	120.8	179.1	-53.9	176.2	0	0	0	109.3	Y598 Q618 E619 Q621 R628	I596-Y598 PolarHBondContact O-N 2.75Å; I596-Q618 PolarHBondContact O-NE2 3.18Å; I596-E619 HydrophobicContact CB-CB 4Å; I596-E619 HydrophobicContact CD1-CB 4.23Å; I596-E619 HydrophobicContact CG1-CB 4.47Å; I596-E619 PolarHBondContact N-O 3.45Å; I596-Q621 HydrophobicContact CD1-CB 4.03Å; I596-Q621 HydrophobicContact CG1-CB 4.26Å; I596-R628 HydrophobicContact CD1-CB 4.38Å; I596-R628 VanDerWaalsContact CD1-CD 3.49Å; I596-R628 HydrophobicContact CD1-CG 3.75Å
597	G	92.8	Very high	88.1	Confident	60 Å²	60	49.4 Å²	49.4	62%	0.619	26%	0.261	S	S	*	.	S	Bend	trans	58.7	-123.3	173	0	0	0	0	0	113.7	Q618	G597-Q618 VanDerWaalsContact C-NE2 3.27Å; G597-Q618 PolarHBondContact O-NE2 3.48Å
598	Y	93.4	Very high	90.5	Very high	78 Å²	78	47.5 Å²	47.5	31%	0.306	24%	0.242	S	C	.	.	S	Bend	trans	-122.7	163.4	-176.5	-57.6	-71.7	0	0	0	111.3	V559 L567 I596 F760	V559-Y598 HydrophobicContact CG1-CD2 4.37Å; V559-Y598 HydrophobicContact CG1-CG 4.37Å; V559-Y598 HydrophobicContact CG2-CD2 4.04Å; V559-Y598 HydrophobicContact CG2-CG 4.31Å; L567-Y598 HydrophobicContact CD1-CD1 3.66Å; L567-Y598 HydrophobicContact CD1-CE1 4.16Å; L567-Y598 HydrophobicContact CD1-CG 4.3Å; L567-Y598 HydrophobicContact CD2-CD1 4.5Å; L567-Y598 HydrophobicContact CD2-CE1 4.18Å; L567-Y598 HydrophobicContact CG-CD1 4.39Å; L567-Y598 HydrophobicContact CG-CE1 4.44Å; I596-Y598 PolarHBondContact O-N 2.75Å; Y598-F760 AromaticContact CE1-CE1 3.87Å; Y598-F760 HydrophobicContact CE1-CE1 3.87Å; Y598-F760 AromaticContact CE1-CZ 3.86Å; Y598-F760 HydrophobicContact CE1-CZ 3.86Å
599	P	96.5	Very high	92.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.232	C	C	.	.			trans	-45.8	141.6	176.5	-32.4	37.2	0	0	0	114.6	V602 V616	P599-V602 HydrophobicContact CB-CG2 4.19Å; P599-V616 HydrophobicContact CB-CG1 4.14Å; P599-V616 HydrophobicContact CG-CG1 3.97Å
600	V	96.7	Very high	93.7	Very high	26 Å²	26	48.3 Å²	48.3	16%	0.158	24%	0.235	C	C	.	.	S	Bend	trans	-76.2	-43.8	171	176.6	0	0	0	0	109.8	R555 R617 E619 T630	R555-V600 WeakPolarHBondContact CB-O 3.25Å; R555-V600 PolarHBondContact N-O 2.78Å; R555-V600 VanDerWaalsContact NH2-CG2 3.34Å; V600-R617 WeakPolarHBondContact CA-O 3.27Å; V600-R617 WeakPolarHBondContact CB-O 3.36Å; V600-R617 PolarHBondContact N-O 2.78Å; V600-E619 HydrophobicContact CG2-CG 4.38Å; V600-T630 HydrophobicContact CG2-CG2 4.39Å
601	S	98	Very high	95	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	154	-178.8	61	0	0	0	0	111.6	F553 E554 R617	F553-S601 CarbonylContact O-C 3.51Å; F553-S601 WeakPolarHBondContact O-CA 3.23Å; F553-S601 WeakPolarHBondContact O-CB 3.41Å; E554-S601 WeakPolarHBondContact OE1-CB 3.42Å; E554-S601 WeakPolarHBondContact OE2-CB 3.45Å; S601-R617 PolarHBondContact N-O 3.26Å; S601-R617 PolarHBondContact O-N 2.63Å; S601-R617 WeakPolarHBondContact OG-CB 3.38Å; S601-R617 VanDerWaalsContact OG-CZ 3.25Å; S601-R617 PolarHBondContact OG-NE 2.95Å; S601-R617 PolarHBondContact OG-NH2 2.99Å
602	V	98.6	Very high	95.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.4	174.9	-176	0	0	0	0	110.5	S551 L552 F553 Y570 P599 Y614 L615 V616	S551-V602 CarbonylContact C-O 3.59Å; S551-V602 WeakPolarHBondContact CA-O 3.5Å; L552-V602 PolarHBondContact N-O 2.77Å; F553-V602 HydrophobicContact CB-CB 4.35Å; F553-V602 PolarHBondContact N-O 2.95Å; F553-V602 PolarHBondContact O-N 3.49Å; Y570-V602 HydrophobicContact CD1-CG1 4.01Å; Y570-V602 HydrophobicContact CD1-CG2 4.45Å; Y570-V602 HydrophobicContact CD2-CB 4.26Å; Y570-V602 HydrophobicContact CD2-CG1 4.24Å; Y570-V602 HydrophobicContact CD2-CG2 3.63Å; Y570-V602 HydrophobicContact CE1-CG1 3.83Å; Y570-V602 HydrophobicContact CE2-CB 4.17Å; Y570-V602 HydrophobicContact CE2-CG1 4.03Å; Y570-V602 HydrophobicContact CE2-CG2 4.06Å; Y570-V602 HydrophobicContact CG-CG1 4.23Å; Y570-V602 HydrophobicContact CG-CG2 3.85Å; P599-V602 HydrophobicContact CB-CG2 4.19Å; V602-Y614 HydrophobicContact CG1-CD1 4.25Å; V602-L615 VanDerWaalsContact CA-O 3.3Å; V602-L615 WeakPolarHBondContact CA-O 3.28Å; V602-V616 HydrophobicContact CG1-CG2 4.18Å; V602-V616 HydrophobicContact CG2-CG1 4.25Å; V602-V616 HydrophobicContact CG2-CG2 4.24Å
603	H	98.8	Very high	96.3	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.046	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.2	176.8	-69.1	67.5	0	0	0	111.6	E550 S551 E554 Y614 L615	E550-H603 CarbonylContact O-C 3.37Å; E550-H603 VanDerWaalsContact O-CA 3.28Å; E550-H603 WeakPolarHBondContact O-CA 3.47Å; S551-H603 PolarHBondContact N-CD2 2.83Å; E554-H603 IonicContact OE1-CE1 2.69Å; E554-H603 PolarHBondContact OE1-CE1 2.82Å; H603-Y614 CarbonylContact O-C 3.52Å; H603-Y614 WeakPolarHBondContact O-CA 3.5Å; H603-L615 HydrophobicContact CB-CB 4.28Å; H603-L615 PolarHBondContact N-O 3.36Å; H603-L615 PolarHBondContact O-N 3.28Å
604	L	98.6	Very high	96.7	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	138.1	152.2	-63.8	170	0	0	0	108.5	W549 E550 L552 F606 F611 Y614 F672	W549-L604 WeakPolarHBondContact CA-O 3.48Å; E550-L604 PolarHBondContact N-O 2.82Å; E550-L604 VanDerWaalsContact N-O 3.14Å; E550-L604 PolarHBondContact O-N 3.05Å; L552-L604 HydrophobicContact CD1-CD2 3.92Å; L552-L604 HydrophobicContact CD1-CG 3.9Å; L552-L604 HydrophobicContact CD2-CD1 3.95Å; L552-L604 HydrophobicContact CD2-CG 4Å; L552-L604 HydrophobicContact CG-CD1 4.44Å; L552-L604 HydrophobicContact CG-CG 3.93Å; L604-F606 HydrophobicContact CB-CD2 4.25Å; L604-F606 HydrophobicContact CB-CE2 3.67Å; L604-F606 HydrophobicContact CD1-CE2 3.92Å; L604-F606 HydrophobicContact CD1-CZ 4.29Å; L604-F606 HydrophobicContact CG-CE2 4.32Å; L604-F611 HydrophobicContact CB-CE2 4.33Å; L604-F611 HydrophobicContact CD2-CD2 4.24Å; L604-F611 HydrophobicContact CD2-CE2 3.45Å; L604-F611 VanDerWaalsContact CD2-CE2 3.45Å; L604-F611 HydrophobicContact CD2-CZ 4.06Å; L604-F611 HydrophobicContact CG-CE2 4.5Å; L604-Y614 HydrophobicContact CD2-CD1 4.06Å; L604-Y614 HydrophobicContact CD2-CE1 3.6Å; L604-F672 HydrophobicContact CD1-CD2 3.63Å; L604-F672 HydrophobicContact CD1-CE2 3.92Å; L604-F672 HydrophobicContact CD1-CG 4.48Å; L604-F672 HydrophobicContact CD2-CB 4.04Å; L604-F672 HydrophobicContact CD2-CD2 4.1Å; L604-F672 HydrophobicContact CD2-CG 4.39Å
605	Y	98.7	Very high	97	Very high	10 Å²	10	39 Å²	39	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.9	167.5	175	-140.9	0	0	0	109.9	A547 W549 F611 Q612 G613 L615 W634 W856	A547-Y605 HydrophobicContact CB-CE2 4.14Å; W549-Y605 AromaticContact CD1-CD2 3.64Å; W549-Y605 HydrophobicContact CD2-CD2 4.36Å; W549-Y605 AromaticContact CE2-CD2 3.75Å; W549-Y605 AromaticContact CE2-CE2 3.83Å; W549-Y605 HydrophobicContact CG-CD2 4.33Å; W549-Y605 HydrophobicContact CZ2-CD2 4.35Å; W549-Y605 AromaticContact CZ2-CE2 3.95Å; W549-Y605 HydrophobicContact CZ2-CE2 3.95Å; W549-Y605 AromaticContact NE1-CD2 3.23Å; W549-Y605 AromaticContact NE1-CE2 3.69Å; W549-Y605 AromaticContact NE1-CG 3.91Å; Y605-F611 WeakPolarHBondContact O-CD2 3.35Å; Y605-Q612 HydrophobicContact CD1-CB 3.43Å; Y605-Q612 VanDerWaalsContact CD1-CB 3.43Å; Y605-Q612 HydrophobicContact CD1-CG 4.03Å; Y605-Q612 HydrophobicContact CE1-CB 3.78Å; Y605-Q612 HydrophobicContact CE1-CG 3.97Å; Y605-Q612 HydrophobicContact CG-CB 4.02Å; Y605-Q612 HydrophobicContact CG-CG 4.49Å; Y605-Q612 PolarHBondContact O-N 2.99Å; Y605-G613 PolarHBondContact N-O 3.39Å; Y605-L615 HydrophobicContact CD1-CD2 4.23Å; Y605-L615 HydrophobicContact CG-CD1 4.49Å; Y605-L615 HydrophobicContact CG-CD2 4.39Å; Y605-W634 AromaticContact CD1-CE2 3.96Å; Y605-W634 HydrophobicContact CD1-CZ2 4.29Å; Y605-W634 AromaticContact CD1-NE1 3.82Å; Y605-W634 HydrophobicContact CE1-CH2 4.46Å; Y605-W634 AromaticContact CE1-CZ2 3.99Å; Y605-W634 HydrophobicContact CE1-CZ2 3.99Å; Y605-W856 HydrophobicContact CD1-CB 4.33Å; Y605-W856 HydrophobicContact CE1-CB 3.58Å
606	F	98.6	Very high	97.2	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.057	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.7	171.9	-62.8	-103	0	0	0	109.5	T521 A547 Y548 L604 R610 F611 F672	T521-F606 HydrophobicContact CG2-CD2 4.48Å; T521-F606 HydrophobicContact CG2-CE2 3.68Å; T521-F606 HydrophobicContact CG2-CZ 3.95Å; A547-F606 CarbonylContact C-O 3.54Å; A547-F606 WeakPolarHBondContact CA-O 3.44Å; Y548-F606 HydrophobicContact CD1-CD2 4.1Å; Y548-F606 PolarHBondContact N-O 3.31Å; Y548-F606 PolarHBondContact O-N 2.8Å; L604-F606 HydrophobicContact CB-CD2 4.25Å; L604-F606 HydrophobicContact CB-CE2 3.67Å; L604-F606 HydrophobicContact CD1-CE2 3.92Å; L604-F606 HydrophobicContact CD1-CZ 4.29Å; L604-F606 HydrophobicContact CG-CE2 4.32Å; F606-R610 CarbonylContact C-O 3.5Å; F606-R610 VanDerWaalsContact CA-O 3.23Å; F606-R610 WeakPolarHBondContact CA-O 3.3Å; F606-F611 HydrophobicContact CD1-CB 4.04Å; F606-F611 HydrophobicContact CE1-CB 3.85Å; F606-F611 HydrophobicContact CE1-CD2 4.2Å; F606-F611 HydrophobicContact CE1-CG 4.48Å; F606-F611 HydrophobicContact CE2-CD2 4.38Å; F606-F611 HydrophobicContact CZ-CD2 4.12Å; F606-F672 AromaticContact CE1-CD1 3.96Å; F606-F672 HydrophobicContact CE1-CD1 3.96Å; F606-F672 AromaticContact CE1-CE1 3.96Å; F606-F672 HydrophobicContact CE1-CE1 3.96Å; F606-F672 AromaticContact CZ-CD1 3.73Å; F606-F672 HydrophobicContact CZ-CD1 3.73Å; F606-F672 HydrophobicContact CZ-CD2 4.28Å; F606-F672 AromaticContact CZ-CE1 3.72Å; F606-F672 HydrophobicContact CZ-CE1 3.72Å; F606-F672 HydrophobicContact CZ-CE2 4.27Å; F606-F672 HydrophobicContact CZ-CG 4.03Å; F606-F672 HydrophobicContact CZ-CZ 4.01Å
607	Y	97.8	Very high	97.3	Very high	103 Å²	103	36.4 Å²	36.4	40%	0.404	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	128.8	170.9	-174.9	-86.3	0	0	0	108.9	K546 A547 R610 Q612	K546-Y607 HydrophobicContact CB-CD2 4.4Å; K546-Y607 HydrophobicContact CB-CE1 4.49Å; K546-Y607 HydrophobicContact CB-CE2 4.01Å; K546-Y607 WeakPolarHBondContact O-CA 3.43Å; A547-Y607 HydrophobicContact CB-CD2 4.12Å; Y607-R610 PolarHBondContact N-O 3.48Å; Y607-R610 PolarHBondContact O-N 3.32Å; Y607-Q612 PolarHBondContact O-NE2 2.78Å; Y607-Q612 VanDerWaalsContact O-NE2 3.08Å
608	D	96.8	Very high	97.6	Very high	69 Å²	69	33.8 Å²	33.8	37%	0.369	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	58.4	179	-148.4	9.9	0	0	0	113	K546 R610	K546-D608 HydrophobicContact CD-CB 4.27Å; K546-D608 IonicContact NZ-OD1 2.8Å; K546-D608 PolarHBondContact NZ-OD1 3.2Å; K546-D608 IonicContact NZ-OD2 2.72Å; K546-D608 PolarHBondContact NZ-OD2 2.71Å; K546-D608 PolarHBondContact O-N 2.64Å; D608-R610 PolarHBondContact O-N 3.01Å
609	E	94.8	Very high	97.7	Very high	70 Å²	70	32.1 Å²	32.1	33%	0.327	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	7.3	-178.9	-52.5	-56.2	122.4	0	0	116	N523 Q524 E525	N523-E609 WeakPolarHBondContact CA-OE2 3.18Å; N523-E609 VanDerWaalsContact ND2-CD 3.35Å; N523-E609 PolarHBondContact ND2-OE2 2.81Å; Q524-E609 WeakPolarHBondContact CA-OE1 3.36Å; Q524-E609 WeakPolarHBondContact CB-OE1 3.49Å; Q524-E609 PolarHBondContact N-OE1 2.61Å; Q524-E609 VanDerWaalsContact N-OE1 3.14Å; Q524-E609 PolarHBondContact N-OE2 2.77Å; E525-E609 HydrophobicContact CB-CG 4.26Å; E525-E609 PolarHBondContact N-OE1 3.1Å
610	R	95.9	Very high	97.6	Very high	186 Å²	186	32.1 Å²	32.1	70%	0.702	14%	0.139	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.1	-178	-62.4	174.7	-167.4	-158.3	2.4	111.7	F606 Y607 D608 Q612	F606-R610 CarbonylContact C-O 3.5Å; F606-R610 VanDerWaalsContact CA-O 3.23Å; F606-R610 WeakPolarHBondContact CA-O 3.3Å; Y607-R610 PolarHBondContact N-O 3.48Å; Y607-R610 PolarHBondContact O-N 3.32Å; D608-R610 PolarHBondContact O-N 3.01Å; R610-Q612 PolarHBondContact O-N 2.04Å; R610-Q612 PolarHBondContact O-NE2 2.82Å
611	F	97.4	Very high	97.4	Very high	43 Å²	43	33.5 Å²	33.5	19%	0.189	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	127.2	167.7	178.8	-120	0	0	0	109.8	L604 Y605 F606 G613 Y614 P637 F672 W830	L604-F611 HydrophobicContact CB-CE2 4.33Å; L604-F611 HydrophobicContact CD2-CD2 4.24Å; L604-F611 HydrophobicContact CD2-CE2 3.45Å; L604-F611 VanDerWaalsContact CD2-CE2 3.45Å; L604-F611 HydrophobicContact CD2-CZ 4.06Å; L604-F611 HydrophobicContact CG-CE2 4.5Å; Y605-F611 WeakPolarHBondContact O-CD2 3.35Å; F606-F611 HydrophobicContact CD1-CB 4.04Å; F606-F611 HydrophobicContact CE1-CB 3.85Å; F606-F611 HydrophobicContact CE1-CD2 4.2Å; F606-F611 HydrophobicContact CE1-CG 4.48Å; F606-F611 HydrophobicContact CE2-CD2 4.38Å; F606-F611 HydrophobicContact CZ-CD2 4.12Å; F611-G613 WeakPolarHBondContact CE2-O 3.32Å; F611-G613 VanDerWaalsContact CZ-C 3.43Å; F611-G613 WeakPolarHBondContact CZ-O 3.4Å; F611-Y614 HydrophobicContact CZ-CD1 4.42Å; F611-Y614 HydrophobicContact CZ-CD2 4.41Å; F611-Y614 HydrophobicContact CZ-CE1 4.27Å; F611-Y614 HydrophobicContact CZ-CE2 4.27Å; F611-Y614 HydrophobicContact CZ-CG 4.5Å; F611-P637 HydrophobicContact CD1-CG 4.23Å; F611-P637 HydrophobicContact CE1-CG 4.06Å; F611-F672 HydrophobicContact CD1-CB 4.25Å; F611-F672 WeakPolarHBondContact CD1-O 3.48Å; F611-F672 HydrophobicContact CD2-CB 4.11Å; F611-F672 HydrophobicContact CE1-CB 4.3Å; F611-F672 WeakPolarHBondContact CE1-O 3.46Å; F611-F672 HydrophobicContact CE2-CB 4.15Å; F611-F672 HydrophobicContact CG-CB 4.16Å; F611-F672 HydrophobicContact CZ-CB 4.23Å; F611-W830 HydrophobicContact CE1-CH2 4.41Å
612	Q	98.1	Very high	97	Very high	47 Å²	47	35.4 Å²	35.4	22%	0.22	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-7.2	-177.2	-58.8	-60.6	-30.8	0	0	112.4	Y605 Y607 R610 W634	Y605-Q612 HydrophobicContact CD1-CB 3.43Å; Y605-Q612 VanDerWaalsContact CD1-CB 3.43Å; Y605-Q612 HydrophobicContact CD1-CG 4.03Å; Y605-Q612 HydrophobicContact CE1-CB 3.78Å; Y605-Q612 HydrophobicContact CE1-CG 3.97Å; Y605-Q612 HydrophobicContact CG-CB 4.02Å; Y605-Q612 HydrophobicContact CG-CG 4.49Å; Y605-Q612 PolarHBondContact O-N 2.99Å; Y607-Q612 PolarHBondContact O-NE2 2.78Å; Y607-Q612 VanDerWaalsContact O-NE2 3.08Å; R610-Q612 PolarHBondContact O-N 2.04Å; R610-Q612 PolarHBondContact O-NE2 2.82Å; Q612-W634 HydrophobicContact CB-CZ2 4.1Å; Q612-W634 PolarHBondContact O-NE1 3.17Å
613	G	98.2	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.2	-164.1	-178.3	0	0	0	0	0	114.3	Y605 F611 A635	Y605-G613 PolarHBondContact N-O 3.39Å; F611-G613 WeakPolarHBondContact CE2-O 3.32Å; F611-G613 VanDerWaalsContact CZ-C 3.43Å; F611-G613 WeakPolarHBondContact CZ-O 3.4Å; G613-A635 CarbonylContact C-O 3.59Å; G613-A635 VanDerWaalsContact CA-O 3.24Å; G613-A635 WeakPolarHBondContact CA-O 3.34Å
614	Y	98.8	Very high	95.6	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.6	-178.6	-62.7	-72.5	0	0	0	111.1	L552 Y570 F573 V602 H603 L604 F611 A635 G673 V675 W830	L552-Y614 HydrophobicContact CD1-CD1 4.17Å; L552-Y614 HydrophobicContact CD1-CE1 3.67Å; Y570-Y614 HydrophobicContact CE1-CD1 4.12Å; Y570-Y614 HydrophobicContact CE1-CD2 4.39Å; Y570-Y614 HydrophobicContact CE1-CE1 4.2Å; Y570-Y614 HydrophobicContact CE1-CE2 4.45Å; Y570-Y614 HydrophobicContact CE1-CG 4.21Å; F573-Y614 HydrophobicContact CD2-CD2 4.17Å; F573-Y614 AromaticContact CE2-CD2 3.38Å; F573-Y614 HydrophobicContact CE2-CD2 3.38Å; F573-Y614 AromaticContact CE2-CE2 3.91Å; F573-Y614 HydrophobicContact CE2-CE2 3.91Å; F573-Y614 HydrophobicContact CE2-CG 4.17Å; F573-Y614 AromaticContact CZ-CD2 4Å; F573-Y614 HydrophobicContact CZ-CD2 4Å; F573-Y614 HydrophobicContact CZ-CE2 4.26Å; V602-Y614 HydrophobicContact CG1-CD1 4.25Å; H603-Y614 CarbonylContact O-C 3.52Å; H603-Y614 WeakPolarHBondContact O-CA 3.5Å; L604-Y614 HydrophobicContact CD2-CD1 4.06Å; L604-Y614 HydrophobicContact CD2-CE1 3.6Å; F611-Y614 HydrophobicContact CZ-CD1 4.42Å; F611-Y614 HydrophobicContact CZ-CD2 4.41Å; F611-Y614 HydrophobicContact CZ-CE1 4.27Å; F611-Y614 HydrophobicContact CZ-CE2 4.27Å; F611-Y614 HydrophobicContact CZ-CG 4.5Å; Y614-A635 PolarHBondContact N-O 2.84Å; Y614-A635 PolarHBondContact O-N 3.27Å; Y614-G673 WeakPolarHBondContact OH-CA 3.24Å; Y614-G673 PolarHBondContact OH-N 3.22Å; Y614-V675 HydrophobicContact CE2-CG2 3.7Å; Y614-W830 AromaticContact CD2-CH2 3.39Å; Y614-W830 HydrophobicContact CD2-CH2 3.39Å; Y614-W830 HydrophobicContact CD2-CZ2 4.24Å; Y614-W830 AromaticContact CD2-CZ3 3.65Å; Y614-W830 HydrophobicContact CD2-CZ3 3.65Å; Y614-W830 AromaticContact CE2-CH2 3.36Å; Y614-W830 HydrophobicContact CE2-CH2 3.36Å; Y614-W830 AromaticContact CE2-CZ2 3.93Å; Y614-W830 HydrophobicContact CE2-CZ2 3.93Å; Y614-W830 HydrophobicContact CE2-CZ3 4.12Å
615	L	98.8	Very high	94.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.2	166.4	-46.5	-177.2	0	0	0	107.9	V602 H603 Y605 E632 V633 W634 W856	V602-L615 VanDerWaalsContact CA-O 3.3Å; V602-L615 WeakPolarHBondContact CA-O 3.28Å; H603-L615 HydrophobicContact CB-CB 4.28Å; H603-L615 PolarHBondContact N-O 3.36Å; H603-L615 PolarHBondContact O-N 3.28Å; Y605-L615 HydrophobicContact CD1-CD2 4.23Å; Y605-L615 HydrophobicContact CG-CD1 4.49Å; Y605-L615 HydrophobicContact CG-CD2 4.39Å; L615-E632 HydrophobicContact CB-CG 4.08Å; L615-V633 WeakPolarHBondContact CA-O 3.09Å; L615-W634 HydrophobicContact CD2-CB 3.75Å; L615-W634 HydrophobicContact CD2-CG 3.74Å; L615-W856 HydrophobicContact CD1-CE3 4.37Å; L615-W856 WeakPolarHBondContact CD1-O 3.36Å; L615-W856 HydrophobicContact CD2-CE3 3.72Å; L615-W856 HydrophobicContact CD2-CZ3 4.03Å
616	V	98.7	Very high	94.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.1	-179.8	-177.8	0	0	0	0	108.7	Y570 F573 F574 P599 V602 E632 V633	Y570-V616 HydrophobicContact CD1-CG2 4.32Å; F573-V616 HydrophobicContact CB-CG2 4.17Å; F573-V616 HydrophobicContact CD2-CG2 4.09Å; F574-V616 HydrophobicContact CB-CG1 4.07Å; F574-V616 HydrophobicContact CD2-CG1 4.17Å; F574-V616 HydrophobicContact CG-CG1 4.48Å; P599-V616 HydrophobicContact CB-CG1 4.14Å; P599-V616 HydrophobicContact CG-CG1 3.97Å; V602-V616 HydrophobicContact CG1-CG2 4.18Å; V602-V616 HydrophobicContact CG2-CG1 4.25Å; V602-V616 HydrophobicContact CG2-CG2 4.24Å; V616-E632 WeakPolarHBondContact O-CA 3.33Å; V616-V633 PolarHBondContact N-O 3.37Å; V616-V633 PolarHBondContact O-N 3.08Å
617	R	98.1	Very high	93.4	Very high	39 Å²	39	57.6 Å²	57.6	15%	0.147	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.8	179	-173.9	171.7	58.5	176.3	-4.3	110.1	E554 V600 S601 T630 V631 E632	E554-R617 IonicContact OE2-NH2 2.79Å; V600-R617 WeakPolarHBondContact CA-O 3.27Å; V600-R617 WeakPolarHBondContact CB-O 3.36Å; V600-R617 PolarHBondContact N-O 2.78Å; S601-R617 PolarHBondContact N-O 3.26Å; S601-R617 PolarHBondContact O-N 2.63Å; S601-R617 WeakPolarHBondContact OG-CB 3.38Å; S601-R617 VanDerWaalsContact OG-CZ 3.25Å; S601-R617 PolarHBondContact OG-NE 2.95Å; S601-R617 PolarHBondContact OG-NH2 2.99Å; R617-T630 HydrophobicContact CG-CG2 3.44Å; R617-T630 VanDerWaalsContact CG-CG2 3.44Å; R617-V631 CarbonylContact C-O 3.56Å; R617-V631 VanDerWaalsContact CA-O 3.29Å; R617-V631 WeakPolarHBondContact CA-O 3.45Å; R617-E632 HydrophobicContact CB-CB 4.1Å; R617-E632 HydrophobicContact CB-CG 4.03Å; R617-E632 HydrophobicContact CG-CB 4.17Å
618	Q	97.4	Very high	93.1	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.023	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.6	-179.1	-174.6	169	-11.3	0	0	111.8	F574 I596 G597 V631	F574-Q618 HydrophobicContact CD1-CB 3.92Å; F574-Q618 HydrophobicContact CD1-CG 4.29Å; F574-Q618 HydrophobicContact CD2-CB 3.94Å; F574-Q618 HydrophobicContact CE1-CB 3.71Å; F574-Q618 HydrophobicContact CE1-CG 4.11Å; F574-Q618 HydrophobicContact CE2-CB 3.74Å; F574-Q618 HydrophobicContact CG-CB 4.04Å; F574-Q618 HydrophobicContact CZ-CB 3.63Å; F574-Q618 HydrophobicContact CZ-CG 4.46Å; I596-Q618 PolarHBondContact O-NE2 3.18Å; G597-Q618 VanDerWaalsContact C-NE2 3.27Å; G597-Q618 PolarHBondContact O-NE2 3.48Å; Q618-V631 PolarHBondContact N-O 3.5Å; Q618-V631 PolarHBondContact O-N 3.19Å
619	E	96.5	Very high	92.9	Very high	44 Å²	44	56.8 Å²	56.8	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	143.5	171.5	-79.6	168.3	-109.2	0	0	111.8	R555 I596 V600 E629	R555-E619 IonicContact CZ-OE1 3.87Å; R555-E619 IonicContact NH1-OE1 3.21Å; R555-E619 PolarHBondContact NH1-OE1 2.86Å; R555-E619 IonicContact NH2-OE1 2.72Å; R555-E619 PolarHBondContact NH2-OE1 2.94Å; I596-E619 HydrophobicContact CB-CB 4Å; I596-E619 HydrophobicContact CD1-CB 4.23Å; I596-E619 HydrophobicContact CG1-CB 4.47Å; I596-E619 PolarHBondContact N-O 3.45Å; V600-E619 HydrophobicContact CG2-CG 4.38Å; E619-E629 WeakPolarHBondContact CA-O 3.24Å
620	V	95	Very high	92.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152	175	-69.3	0	0	0	0	111.1	F574 L578 Y593 E594 R628 E629 V631	F574-V620 HydrophobicContact CE1-CG1 3.57Å; F574-V620 HydrophobicContact CZ-CG1 3.67Å; L578-V620 HydrophobicContact CD1-CG1 3.98Å; L578-V620 HydrophobicContact CD2-CG1 4.11Å; Y593-V620 HydrophobicContact CD1-CB 3.81Å; Y593-V620 HydrophobicContact CD1-CG2 3.51Å; Y593-V620 HydrophobicContact CE1-CG2 3.89Å; Y593-V620 HydrophobicContact CG-CB 4.27Å; Y593-V620 HydrophobicContact CG-CG2 4.18Å; E594-V620 CarbonylContact O-C 3.48Å; E594-V620 VanDerWaalsContact O-CA 3.29Å; E594-V620 WeakPolarHBondContact O-CA 3.31Å; V620-R628 VanDerWaalsContact O-CA 3.24Å; V620-R628 WeakPolarHBondContact O-CA 3.47Å; V620-E629 HydrophobicContact CG2-CG 3.65Å; V620-E629 WeakPolarHBondContact CG2-O 3.47Å; V620-E629 PolarHBondContact N-O 3.38Å; V620-E629 PolarHBondContact O-N 3.05Å; V620-E629 VanDerWaalsContact O-N 3.08Å; V620-V631 HydrophobicContact CG2-CG2 3.77Å
621	Q	93	Very high	92.9	Very high	56 Å²	56	46.1 Å²	46.1	26%	0.262	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.8	164.9	-166.6	165	-43.9	0	0	109	Y593 E594 I596 S625 R628	Y593-Q621 WeakPolarHBondContact CA-O 3.46Å; E594-Q621 PolarHBondContact N-O 3.47Å; E594-Q621 PolarHBondContact O-N 3.32Å; I596-Q621 HydrophobicContact CD1-CB 4.03Å; I596-Q621 HydrophobicContact CG1-CB 4.26Å; Q621-S625 PolarHBondContact NE2-O 2.73Å; Q621-R628 HydrophobicContact CB-CG 4.49Å; Q621-R628 HydrophobicContact CG-CG 4.4Å
622	K	87.8	Confident	92.9	Very high	40 Å²	40	44.1 Å²	44.1	17%	0.174	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.6	174	173.7	164.1	174	168.8	0	110.1	T590 Y593 G624 S625 V627 P844	T590-K622 WeakPolarHBondContact O-CE 3.31Å; T590-K622 PolarHBondContact O-NZ 3.11Å; Y593-K622 HydrophobicContact CD1-CB 4.08Å; Y593-K622 HydrophobicContact CE1-CB 3.84Å; K622-G624 PolarHBondContact O-N 2.92Å; K622-S625 WeakPolarHBondContact O-CA 3.38Å; K622-S625 WeakPolarHBondContact O-CB 3.5Å; K622-S625 PolarHBondContact O-N 3.36Å; K622-V627 PolarHBondContact N-O 3.48Å; K622-V627 VanDerWaalsContact N-O 3.17Å; K622-P844 HydrophobicContact CD-CB 3.58Å; K622-P844 PolarHBondContact NZ-O 3.17Å
623	V	86.4	Confident	92.9	Very high	64 Å²	64	41.9 Å²	41.9	39%	0.388	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	138.1	179.1	177.2	0	0	0	0	110	R592 E594 S625	R592-V623 HydrophobicContact CB-CB 3.94Å; R592-V623 HydrophobicContact CB-CG2 3.86Å; R592-V623 PolarHBondContact O-N 3.14Å; E594-V623 HydrophobicContact CG-CG2 3.99Å; V623-S625 PolarHBondContact O-N 2.85Å
624	G	82.3	Confident	93	Very high	93 Å²	93	44.1 Å²	44.1	96%	0.959	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	3.8	-174.4	0	0	0	0	0	115.1	K622	K622-G624 PolarHBondContact O-N 2.92Å
625	S	82.3	Confident	92.9	Very high	42 Å²	42	44 Å²	44	29%	0.294	23%	0.227	S	C	.	.	S	Bend	trans	-129.7	164.9	-178.9	-172	0	0	0	0	112.3	Q621 K622 V623 V627	Q621-S625 PolarHBondContact NE2-O 2.73Å; K622-S625 WeakPolarHBondContact O-CA 3.38Å; K622-S625 WeakPolarHBondContact O-CB 3.5Å; K622-S625 PolarHBondContact O-N 3.36Å; V623-S625 PolarHBondContact O-N 2.85Å; S625-V627 WeakPolarHBondContact OG-CG2 3.4Å; S625-V627 PolarHBondContact OG-N 2.94Å; S625-V627 VanDerWaalsContact OG-N 3.11Å
626	R	82.6	Confident	92.9	Very high	232 Å²	232	45.6 Å²	45.6	88%	0.875	24%	0.236	S	C	*	.			trans	-100.4	-0.6	167	-66	-173.2	179.4	-172	0.3	112.8	R628	R626-R628 PolarHBondContact O-N 3.47Å
627	V	85.1	Confident	92.8	Very high	71 Å²	71	47.7 Å²	47.7	43%	0.43	25%	0.25	S	C	.	.			trans	-67.2	127.1	175.1	177.8	0	0	0	0	109.4	K622 S625 P844	K622-V627 PolarHBondContact N-O 3.48Å; K622-V627 VanDerWaalsContact N-O 3.17Å; S625-V627 WeakPolarHBondContact OG-CG2 3.4Å; S625-V627 PolarHBondContact OG-N 2.94Å; S625-V627 VanDerWaalsContact OG-N 3.11Å; V627-P844 HydrophobicContact CG1-CG 3.69Å
628	R	91	Very high	92.5	Very high	148 Å²	148	50.2 Å²	50.2	56%	0.558	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	146.1	171.6	-61.1	-176.6	174.8	-175.2	-0.4	109.8	I596 V620 Q621 R626	I596-R628 HydrophobicContact CD1-CB 4.38Å; I596-R628 VanDerWaalsContact CD1-CD 3.49Å; I596-R628 HydrophobicContact CD1-CG 3.75Å; V620-R628 VanDerWaalsContact O-CA 3.24Å; V620-R628 WeakPolarHBondContact O-CA 3.47Å; Q621-R628 HydrophobicContact CB-CG 4.49Å; Q621-R628 HydrophobicContact CG-CG 4.4Å; R626-R628 PolarHBondContact O-N 3.47Å
629	E	91.9	Very high	91.8	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	171.4	169.2	65.5	-172.1	115.3	0	0	110	Y593 E619 V620 V631 S837 L839 P844	Y593-E629 HydrophobicContact CE1-CG 4.2Å; Y593-E629 WeakPolarHBondContact CE1-OE1 3.3Å; Y593-E629 VanDerWaalsContact CZ-OE1 3.24Å; Y593-E629 PolarHBondContact OH-OE1 2.92Å; E619-E629 WeakPolarHBondContact CA-O 3.24Å; V620-E629 HydrophobicContact CG2-CG 3.65Å; V620-E629 WeakPolarHBondContact CG2-O 3.47Å; V620-E629 PolarHBondContact N-O 3.38Å; V620-E629 PolarHBondContact O-N 3.05Å; V620-E629 VanDerWaalsContact O-N 3.08Å; E629-V631 HydrophobicContact CG-CG2 4.29Å; E629-S837 WeakPolarHBondContact OE2-CB 3.42Å; E629-S837 PolarHBondContact OE2-OG 3.19Å; E629-L839 HydrophobicContact CB-CD1 3.94Å; E629-L839 HydrophobicContact CB-CG 4.22Å; E629-L839 WeakPolarHBondContact OE2-CD1 3.32Å; E629-P844 VanDerWaalsContact OE1-CD 3.28Å; E629-P844 WeakPolarHBondContact OE1-CD 3.47Å
630	T	95.4	Very high	91.2	Very high	32 Å²	32	55.2 Å²	55.2	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.3	173.1	-60	0	0	0	0	108.7	V600 R617 T838	V600-T630 HydrophobicContact CG2-CG2 4.39Å; R617-T630 HydrophobicContact CG-CG2 3.44Å; R617-T630 VanDerWaalsContact CG-CG2 3.44Å; T630-T838 WeakPolarHBondContact CB-OG1 3.33Å; T630-T838 HydrophobicContact CG2-CG2 3.84Å; T630-T838 WeakPolarHBondContact O-CG2 3.29Å; T630-T838 PolarHBondContact O-N 3.36Å; T630-T838 PolarHBondContact O-OG1 3.29Å
631	V	96.2	Very high	90.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.5	179.6	171.6	0	0	0	0	108.7	F574 R617 Q618 V620 E629 V633 L835 C836 L848	F574-V631 HydrophobicContact CE2-CB 4.32Å; F574-V631 HydrophobicContact CE2-CG1 4.34Å; F574-V631 WeakPolarHBondContact CE2-O 3.28Å; F574-V631 HydrophobicContact CZ-CB 4.12Å; F574-V631 HydrophobicContact CZ-CG1 4.43Å; R617-V631 CarbonylContact C-O 3.56Å; R617-V631 VanDerWaalsContact CA-O 3.29Å; R617-V631 WeakPolarHBondContact CA-O 3.45Å; Q618-V631 PolarHBondContact N-O 3.5Å; Q618-V631 PolarHBondContact O-N 3.19Å; V620-V631 HydrophobicContact CG2-CG2 3.77Å; E629-V631 HydrophobicContact CG-CG2 4.29Å; V631-V633 HydrophobicContact CG1-CG2 4.31Å; V631-L835 HydrophobicContact CG1-CB 4.47Å; V631-L835 HydrophobicContact CG1-CD2 4.19Å; V631-C836 CarbonylContact C-O 3.58Å; V631-C836 VanDerWaalsContact CA-O 3.3Å; V631-C836 WeakPolarHBondContact CA-O 3.37Å; V631-C836 WeakPolarHBondContact CG1-O 3.24Å; V631-L848 HydrophobicContact CG2-CD1 3.88Å
632	E	98.3	Very high	90.5	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.2	167.3	-169.6	170.9	-99.2	0	0	109.7	L615 V616 R617 L835 C836 W856 S857 S858	L615-E632 HydrophobicContact CB-CG 4.08Å; V616-E632 WeakPolarHBondContact O-CA 3.33Å; R617-E632 HydrophobicContact CB-CB 4.1Å; R617-E632 HydrophobicContact CB-CG 4.03Å; R617-E632 HydrophobicContact CG-CB 4.17Å; E632-L835 WeakPolarHBondContact O-CA 3.26Å; E632-C836 PolarHBondContact N-O 2.76Å; E632-C836 PolarHBondContact O-N 2.36Å; E632-W856 HydrophobicContact CG-CZ3 4.16Å; E632-S857 VanDerWaalsContact OE2-CA 3.28Å; E632-S857 WeakPolarHBondContact OE2-CA 3.39Å; E632-S857 WeakPolarHBondContact OE2-CB 3.42Å; E632-S857 PolarHBondContact OE2-OG 3.31Å; E632-S858 WeakPolarHBondContact OE1-CB 3.08Å; E632-S858 PolarHBondContact OE1-OG 3.17Å; E632-S858 PolarHBondContact OE2-N 2.81Å; E632-S858 PolarHBondContact OE2-OG 3.11Å
633	V	98.2	Very high	90.3	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.1	-179.7	173.8	0	0	0	0	108.4	F574 L615 V616 V631 T832 L835	F574-V633 HydrophobicContact CD2-CB 4.02Å; F574-V633 HydrophobicContact CD2-CG2 3.47Å; F574-V633 VanDerWaalsContact CD2-CG2 3.47Å; F574-V633 HydrophobicContact CE2-CB 4.41Å; F574-V633 HydrophobicContact CE2-CG2 3.55Å; F574-V633 HydrophobicContact CG-CG2 4.37Å; L615-V633 WeakPolarHBondContact CA-O 3.09Å; V616-V633 PolarHBondContact N-O 3.37Å; V616-V633 PolarHBondContact O-N 3.08Å; V631-V633 HydrophobicContact CG1-CG2 4.31Å; V633-T832 HydrophobicContact CG1-CG2 4.09Å; V633-L835 HydrophobicContact CG2-CD2 3.83Å; V633-L835 HydrophobicContact CG2-CG 4.1Å
634	W	98.6	Very high	90.1	Very high	48 Å²	48	62.1 Å²	62.1	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.6	169	178.5	18.9	0	0	0	109.7	Y605 Q612 L615 V636 T832 G833 D834 W856	Y605-W634 AromaticContact CD1-CE2 3.96Å; Y605-W634 HydrophobicContact CD1-CZ2 4.29Å; Y605-W634 AromaticContact CD1-NE1 3.82Å; Y605-W634 HydrophobicContact CE1-CH2 4.46Å; Y605-W634 AromaticContact CE1-CZ2 3.99Å; Y605-W634 HydrophobicContact CE1-CZ2 3.99Å; Q612-W634 HydrophobicContact CB-CZ2 4.1Å; Q612-W634 PolarHBondContact O-NE1 3.17Å; L615-W634 HydrophobicContact CD2-CB 3.75Å; L615-W634 HydrophobicContact CD2-CG 3.74Å; W634-V636 HydrophobicContact CD2-CG2 4.02Å; W634-V636 VanDerWaalsContact CE2-CG2 3.5Å; W634-V636 HydrophobicContact CG-CG2 4.25Å; W634-V636 HydrophobicContact CZ2-CG2 3.81Å; W634-T832 WeakPolarHBondContact O-CA 3.38Å; W634-G833 PolarHBondContact O-N 3.2Å; W634-D834 HydrophobicContact CE3-CB 4.19Å; W634-D834 PolarHBondContact N-O 2.03Å; W634-W856 HydrophobicContact CB-CD2 4.23Å; W634-W856 HydrophobicContact CB-CE3 3.78Å; W634-W856 HydrophobicContact CB-CH2 4.23Å; W634-W856 HydrophobicContact CB-CZ3 3.8Å; W634-W856 HydrophobicContact CD2-CG 4.48Å; W634-W856 HydrophobicContact CE3-CB 4.18Å; W634-W856 HydrophobicContact CE3-CD2 4.1Å; W634-W856 AromaticContact CE3-CG 3.86Å; W634-W856 HydrophobicContact CE3-CG 3.86Å; W634-W856 HydrophobicContact CG-CE3 4.33Å; W634-W856 HydrophobicContact CZ3-CB 4.39Å; W634-W856 HydrophobicContact CZ3-CG 4.31Å
635	A	98.4	Very high	89.4	Confident	3 Å²	3	65.1 Å²	65.1	3%	0.025	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.1	174.3	0	0	0	0	0	110.2	F573 G613 Y614 W830	F573-A635 HydrophobicContact CB-CB 3.75Å; F573-A635 HydrophobicContact CD1-CB 4.12Å; F573-A635 HydrophobicContact CD2-CB 4.12Å; F573-A635 HydrophobicContact CG-CB 3.74Å; G613-A635 CarbonylContact C-O 3.59Å; G613-A635 VanDerWaalsContact CA-O 3.24Å; G613-A635 WeakPolarHBondContact CA-O 3.34Å; Y614-A635 PolarHBondContact N-O 2.84Å; Y614-A635 PolarHBondContact O-N 3.27Å; A635-W830 HydrophobicContact CB-CE3 4.12Å; A635-W830 WeakPolarHBondContact O-CZ3 3.26Å
636	V	98	Very high	88.4	Confident	33 Å²	33	70 Å²	70	20%	0.2	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.3	-173.8	-177.2	0	0	0	0	110	W634 W830 V831	W634-V636 HydrophobicContact CD2-CG2 4.02Å; W634-V636 VanDerWaalsContact CE2-CG2 3.5Å; W634-V636 HydrophobicContact CG-CG2 4.25Å; W634-V636 HydrophobicContact CZ2-CG2 3.81Å; V636-W830 VanDerWaalsContact C-CE3 3.41Å; V636-W830 WeakPolarHBondContact O-CA 3.3Å; V636-V831 HydrophobicContact CB-CG2 4.07Å; V636-V831 PolarHBondContact N-O 2.84Å; V636-V831 PolarHBondContact O-N 2.95Å
637	P	95.9	Very high	87.5	Confident	44 Å²	44	60.9 Å²	60.9	29%	0.286	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138.7	173.6	31	-33	0	0	0	110.6	F611 W830	F611-P637 HydrophobicContact CD1-CG 4.23Å; F611-P637 HydrophobicContact CE1-CG 4.06Å; P637-W830 HydrophobicContact CB-CD2 4.34Å; P637-W830 HydrophobicContact CB-CE3 4.12Å; P637-W830 HydrophobicContact CB-CH2 3.77Å; P637-W830 HydrophobicContact CB-CZ2 4.03Å; P637-W830 HydrophobicContact CB-CZ3 3.84Å; P637-W830 HydrophobicContact CG-CH2 4.18Å; P637-W830 HydrophobicContact CG-CZ3 4.11Å
638	Q	93.2	Very high	86.4	Confident	92 Å²	92	67.4 Å²	67.4	43%	0.43	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-87.7	140.6	173.8	-61.5	-167.8	-58.2	0	0	111.1	T640 F829 V831	Q638-T640 PolarHBondContact O-N 2.94Å; Q638-F829 WeakPolarHBondContact CB-O 3.13Å; Q638-F829 PolarHBondContact N-O 2.76Å; Q638-V831 HydrophobicContact CG-CG1 4.11Å; Q638-V831 HydrophobicContact CG-CG2 4.31Å
639	A	82.4	Confident	84.8	Confident	107 Å²	107	66.7 Å²	66.7	88%	0.884	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-70.6	121.9	174.8	0	0	0	0	0	110.7
640	T	82.9	Confident	83.5	Confident	47 Å²	47	66.5 Å²	66.5	29%	0.288	34%	0.343	S	S	.	.			trans	-107.9	-4.9	-174.8	59	0	0	0	0	114.7	Q638 R752 F829	Q638-T640 PolarHBondContact O-N 2.94Å; T640-R752 WeakPolarHBondContact CB-O 3.17Å; T640-R752 WeakPolarHBondContact CG2-O 3.48Å; T640-R752 PolarHBondContact OG1-O 3.13Å; T640-F829 HydrophobicContact CG2-CD1 3.72Å; T640-F829 HydrophobicContact CG2-CE1 3.91Å
641	M	86.1	Confident	82.4	Confident	53 Å²	53	70.6 Å²	70.6	26%	0.261	36%	0.361	S	S	.	.			trans	-75.2	133.4	177	-171.5	-167.4	175.5	0	0	110.9	L643 L656 A749 E750	M641-L643 HydrophobicContact CE-CB 4.39Å; M641-L643 HydrophobicContact CE-CD1 4.21Å; M641-L656 HydrophobicContact CE-CB 3.93Å; M641-L656 HydrophobicContact CG-CB 4.3Å; M641-L656 HydrophobicContact SD-CB 4.15Å; M641-L656 PolarHBondContact SD-N 3.38Å; M641-A749 HydrophobicContact CE-CB 3.99Å; M641-E750 CarbonylContact C-O 3.53Å; M641-E750 WeakPolarHBondContact CA-O 3.07Å
642	Q	87.1	Confident	82	Confident	104 Å²	104	71.3 Å²	71.3	49%	0.486	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.1	169.2	-59.6	-178.1	0.1	0	0	108.5	A749 E750	Q642-A749 CarbonylContact O-C 3.57Å; Q642-A749 VanDerWaalsContact O-CA 3.25Å; Q642-A749 WeakPolarHBondContact O-CA 3.34Å; Q642-E750 PolarHBondContact N-O 2.95Å; Q642-E750 PolarHBondContact O-N 3.4Å
643	L	83.8	Confident	81.6	Confident	80 Å²	80	71.3 Å²	71.3	42%	0.419	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.8	176.9	-175	68.5	0	0	0	108.9	M641 N645 L653 V748 A749	M641-L643 HydrophobicContact CE-CB 4.39Å; M641-L643 HydrophobicContact CE-CD1 4.21Å; L643-N645 PolarHBondContact O-N 2.85Å; L643-L653 HydrophobicContact CD1-CD2 4.24Å; L643-V748 HydrophobicContact CD1-CG1 4.49Å; L643-A749 HydrophobicContact CD1-CB 4.05Å
644	E	82.5	Confident	81.3	Confident	68 Å²	68	76.8 Å²	76.8	32%	0.318	39%	0.387	S	S	.	.			trans	-81.5	115.8	-178.6	-64.3	-76.1	-166.3	0	0	110.7	N646 R747 V748	E644-N646 PolarHBondContact O-N 2.85Å; E644-R747 HydrophobicContact CG-CG 4.44Å; E644-R747 IonicContact OE1-CZ 2.77Å; E644-R747 IonicContact OE1-NE 2.76Å; E644-R747 PolarHBondContact OE1-NE 2.9Å; E644-R747 IonicContact OE1-NH2 3.44Å; E644-R747 PolarHBondContact OE1-NH2 3.04Å; E644-V748 WeakPolarHBondContact CB-O 3.06Å; E644-V748 WeakPolarHBondContact CG-O 3.42Å; E644-V748 PolarHBondContact N-O 3.28Å
645	N	66.8	Low	81	Confident	156 Å²	156	76.7 Å²	76.7	83%	0.834	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.4	-169.1	-68.3	-41.1	0	0	0	115.5	L643	L643-N645 PolarHBondContact O-N 2.85Å
646	N	62.8	Low	80.8	Confident	144 Å²	144	76.7 Å²	76.7	77%	0.77	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.4	-166.4	-66.6	-20.2	0	0	0	114.5	E644 R648	E644-N646 PolarHBondContact O-N 2.85Å; N646-R648 PolarHBondContact O-N 3.3Å
647	L	62.5	Low	80.7	Confident	41 Å²	41	79.1 Å²	79.1	22%	0.215	40%	0.399	C	S	.	.			trans	-100.9	76.8	-169.2	-64.4	177.1	0	0	0	113.1	E649 F650 R747 V748	L647-E649 PolarHBondContact O-N 3.37Å; L647-E649 VanDerWaalsContact O-N 3.13Å; L647-F650 HydrophobicContact CB-CB 4.18Å; L647-F650 PolarHBondContact O-N 2.99Å; L647-R747 WeakPolarHBondContact CD1-O 3.24Å; L647-V748 HydrophobicContact CD1-CB 4.1Å; L647-V748 HydrophobicContact CD1-CG1 4.08Å; L647-V748 HydrophobicContact CD1-CG2 3.84Å
648	R	62.9	Low	80.7	Confident	208 Å²	208	78.1 Å²	78.1	79%	0.785	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-50.1	-38.1	178.8	-66.3	-175.9	-179.5	-178.6	-0.2	114.1	N646 F650 E651	N646-R648 PolarHBondContact O-N 3.3Å; R648-F650 PolarHBondContact O-N 3.24Å; R648-E651 WeakPolarHBondContact CA-OE1 3.43Å; R648-E651 WeakPolarHBondContact O-CB 3.45Å; R648-E651 VanDerWaalsContact O-CG 3.22Å; R648-E651 WeakPolarHBondContact O-CG 3.34Å; R648-E651 PolarHBondContact O-N 2.98Å
649	E	56.7	Low	80.8	Confident	132 Å²	132	73.8 Å²	73.8	62%	0.617	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-73.4	-13.2	179.7	-62.6	-171.8	160.7	0	0	113.8	L647 R743	L647-E649 PolarHBondContact O-N 3.37Å; L647-E649 VanDerWaalsContact O-N 3.13Å; E649-R743 IonicContact OE2-CZ 3.49Å; E649-R743 IonicContact OE2-NH1 2.69Å; E649-R743 PolarHBondContact OE2-NH1 2.74Å; E649-R743 IonicContact OE2-NH2 3.15Å; E649-R743 PolarHBondContact OE2-NH2 2.66Å
650	F	65.5	Low	81.5	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.018	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-105.2	11.3	176	-111.6	-96.3	0	0	0	114.1	L647 R648 R652 L653 W688 L694 A696 V741 R743 V748	L647-F650 HydrophobicContact CB-CB 4.18Å; L647-F650 PolarHBondContact O-N 2.99Å; R648-F650 PolarHBondContact O-N 3.24Å; F650-R652 PolarHBondContact O-N 3.09Å; F650-L653 HydrophobicContact CD1-CB 4.23Å; F650-L653 PolarHBondContact O-N 3.08Å; F650-W688 HydrophobicContact CD1-CZ3 4.03Å; F650-W688 AromaticContact CE1-CH2 3.81Å; F650-W688 HydrophobicContact CE1-CH2 3.81Å; F650-W688 AromaticContact CE1-CZ3 3.67Å; F650-W688 HydrophobicContact CE1-CZ3 3.67Å; F650-L694 HydrophobicContact CD2-CD2 4.18Å; F650-L694 HydrophobicContact CE1-CD1 4.13Å; F650-L694 HydrophobicContact CE1-CD2 4.31Å; F650-L694 HydrophobicContact CE2-CD1 4.09Å; F650-L694 HydrophobicContact CE2-CD2 3.83Å; F650-L694 HydrophobicContact CE2-CG 4.45Å; F650-L694 HydrophobicContact CZ-CD1 3.58Å; F650-L694 HydrophobicContact CZ-CD2 3.96Å; F650-L694 HydrophobicContact CZ-CG 4.37Å; F650-A696 HydrophobicContact CE1-CB 4.16Å; F650-A696 HydrophobicContact CZ-CB 3.85Å; F650-V741 HydrophobicContact CE1-CG1 4.15Å; F650-R743 HydrophobicContact CD2-CB 4.22Å; F650-R743 HydrophobicContact CD2-CG 4.23Å; F650-R743 HydrophobicContact CE2-CB 3.62Å; F650-R743 HydrophobicContact CE2-CG 3.55Å; F650-R743 HydrophobicContact CZ-CB 4.05Å; F650-R743 HydrophobicContact CZ-CG 4.31Å; F650-V748 HydrophobicContact CB-CG1 3.65Å; F650-V748 HydrophobicContact CD1-CB 4.25Å; F650-V748 HydrophobicContact CD1-CG1 3.46Å; F650-V748 VanDerWaalsContact CD1-CG1 3.46Å; F650-V748 HydrophobicContact CD1-CG2 4.05Å; F650-V748 HydrophobicContact CD2-CG2 4.41Å; F650-V748 HydrophobicContact CE1-CG1 4.2Å; F650-V748 HydrophobicContact CE1-CG2 4.13Å; F650-V748 HydrophobicContact CG-CG1 3.7Å; F650-V748 HydrophobicContact CG-CG2 4.12Å; F650-V748 HydrophobicContact CZ-CG2 4.36Å
651	E	71.5	Confident	82.1	Confident	119 Å²	119	73.4 Å²	73.4	56%	0.556	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-14.6	168.9	-74.4	174.2	-148.6	0	0	113.6	R648 L653 K654	R648-E651 WeakPolarHBondContact CA-OE1 3.43Å; R648-E651 WeakPolarHBondContact O-CB 3.45Å; R648-E651 VanDerWaalsContact O-CG 3.22Å; R648-E651 WeakPolarHBondContact O-CG 3.34Å; R648-E651 PolarHBondContact O-N 2.98Å; E651-L653 VanDerWaalsContact C-N 3.33Å; E651-K654 WeakPolarHBondContact O-CE 3.36Å; E651-K654 PolarHBondContact O-NZ 3.33Å
652	R	87.8	Confident	82.6	Confident	14 Å²	14	72.9 Å²	72.9	5%	0.053	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-41.7	167.6	-67.2	-165.5	69.3	-167.6	-8.5	112.5	F650 K654 W688 V689 P692 V715 D716 V717 A719	F650-R652 PolarHBondContact O-N 3.09Å; R652-K654 PolarHBondContact O-N 2.83Å; R652-W688 HydrophobicContact CB-CE3 4.03Å; R652-W688 CarbonylContact O-C 3.36Å; R652-W688 VanDerWaalsContact O-CA 3.27Å; R652-W688 WeakPolarHBondContact O-CA 3.32Å; R652-V689 PolarHBondContact NE-O 3.36Å; R652-V689 PolarHBondContact NH2-O 3.07Å; R652-V689 PolarHBondContact O-N 3.29Å; R652-P692 PolarHBondContact NH1-O 3.16Å; R652-V715 PolarHBondContact NH1-O 3.32Å; R652-D716 PolarHBondContact NH1-O 2.9Å; R652-D716 PolarHBondContact NH2-O 3.05Å; R652-V717 PolarHBondContact NH2-O 2.85Å; R652-A719 PolarHBondContact NH2-O 3.15Å
653	L	91.1	Very high	83	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	120.9	-177.9	-176.6	64.2	0	0	0	109.8	L643 F650 E651 N655 Q686 W688 V741 V748 A749	L643-L653 HydrophobicContact CD1-CD2 4.24Å; F650-L653 HydrophobicContact CD1-CB 4.23Å; F650-L653 PolarHBondContact O-N 3.08Å; E651-L653 VanDerWaalsContact C-N 3.33Å; L653-N655 WeakPolarHBondContact CD1-O 3.25Å; L653-Q686 HydrophobicContact CD1-CB 4.03Å; L653-W688 HydrophobicContact CB-CE3 3.96Å; L653-W688 HydrophobicContact CB-CH2 4.44Å; L653-W688 HydrophobicContact CB-CZ3 3.72Å; L653-W688 HydrophobicContact CD1-CD2 4.3Å; L653-W688 HydrophobicContact CD1-CE3 4.1Å; L653-W688 HydrophobicContact CD1-CH2 3.96Å; L653-W688 HydrophobicContact CD1-CZ2 4.14Å; L653-W688 HydrophobicContact CD1-CZ3 3.95Å; L653-W688 HydrophobicContact CG-CZ3 4.34Å; L653-V741 HydrophobicContact CD2-CB 4.25Å; L653-V741 HydrophobicContact CD2-CG1 4.13Å; L653-V741 HydrophobicContact CD2-CG2 4.23Å; L653-V748 HydrophobicContact CD2-CG1 4.25Å; L653-A749 HydrophobicContact CD2-CB 3.63Å
654	K	90.8	Very high	83.4	Confident	116 Å²	116	67.6 Å²	67.6	50%	0.504	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-19.8	180	-63.5	-51.5	-171.7	-158.9	0	114.6	E651 R652 K687 V689	E651-K654 WeakPolarHBondContact O-CE 3.36Å; E651-K654 PolarHBondContact O-NZ 3.33Å; R652-K654 PolarHBondContact O-N 2.83Å; K654-K687 PolarHBondContact N-O 2.95Å; K654-V689 HydrophobicContact CD-CG2 4.34Å; K654-V689 HydrophobicContact CG-CG2 3.57Å
655	N	92.7	Very high	84	Confident	45 Å²	45	65 Å²	65	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	151.2	175.2	-157	6	0	0	0	111.4	L653 E657 Q686 K687	L653-N655 WeakPolarHBondContact CD1-O 3.25Å; N655-E657 PolarHBondContact ND2-OE1 2.79Å; N655-Q686 WeakPolarHBondContact O-CA 3.27Å; N655-K687 HydrophobicContact CB-CB 3.74Å; N655-K687 HydrophobicContact CB-CD 4.35Å; N655-K687 PolarHBondContact N-O 2.9Å; N655-K687 PolarHBondContact O-N 3.05Å
656	L	94.1	Very high	85.4	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	111.3	172.1	172.2	65.9	0	0	0	107.6	M641 V685 Q686 V739 V741 A749 A751	M641-L656 HydrophobicContact CE-CB 3.93Å; M641-L656 HydrophobicContact CG-CB 4.3Å; M641-L656 HydrophobicContact SD-CB 4.15Å; M641-L656 PolarHBondContact SD-N 3.38Å; L656-V685 WeakPolarHBondContact CA-O 3.49Å; L656-Q686 HydrophobicContact CD1-CG 3.91Å; L656-V739 HydrophobicContact CD1-CG1 4.45Å; L656-V741 HydrophobicContact CD1-CG2 3.96Å; L656-V741 HydrophobicContact CD2-CG2 3.77Å; L656-V741 HydrophobicContact CG-CG2 4.39Å; L656-A749 HydrophobicContact CD2-CB 4.29Å; L656-A751 HydrophobicContact CB-CB 4.33Å; L656-A751 HydrophobicContact CD2-CB 3.66Å; L656-A751 HydrophobicContact CG-CB 3.69Å
657	E	94.8	Very high	86.9	Confident	84 Å²	84	55 Å²	55	39%	0.393	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.5	-178.4	-70.2	175.1	172.1	0	0	110.3	N655 F669 A684 V685	N655-E657 PolarHBondContact ND2-OE1 2.79Å; E657-F669 HydrophobicContact CB-CD2 4.45Å; E657-F669 HydrophobicContact CB-CE2 3.84Å; E657-A684 WeakPolarHBondContact O-CA 3.08Å; E657-V685 PolarHBondContact N-O 3.21Å; E657-V685 PolarHBondContact O-N 3.43Å
658	V	96.7	Very high	88.5	Confident	22 Å²	22	55 Å²	55	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.1	173.2	-173.5	0	0	0	0	108.3	P682 V683 A684 W700 V739 F753	V658-P682 HydrophobicContact CG1-CB 3.89Å; V658-V683 WeakPolarHBondContact CA-O 3.29Å; V658-A684 HydrophobicContact CG2-CB 4.26Å; V658-W700 HydrophobicContact CG1-CH2 3.85Å; V658-W700 HydrophobicContact CG1-CZ3 3.91Å; V658-V739 HydrophobicContact CG2-CB 4.14Å; V658-V739 HydrophobicContact CG2-CG2 3.73Å; V658-F753 HydrophobicContact CB-CB 4.18Å; V658-F753 HydrophobicContact CB-CD1 3.84Å; V658-F753 HydrophobicContact CB-CE1 4.42Å; V658-F753 HydrophobicContact CB-CG 4.02Å; V658-F753 HydrophobicContact CG1-CB 4.45Å; V658-F753 HydrophobicContact CG1-CD1 3.63Å; V658-F753 HydrophobicContact CG1-CD2 4.12Å; V658-F753 HydrophobicContact CG1-CE1 3.77Å; V658-F753 HydrophobicContact CG1-CE2 4.24Å; V658-F753 HydrophobicContact CG1-CG 3.82Å; V658-F753 HydrophobicContact CG1-CZ 4.09Å; V658-F753 HydrophobicContact CG2-CD1 4Å; V658-F753 HydrophobicContact CG2-CE1 4.45Å
659	G	96.4	Very high	90.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	-178.7	-173.3	0	0	0	0	0	112.7	F669 V683	G659-F669 VanDerWaalsContact C-CE1 3.41Å; G659-F669 WeakPolarHBondContact O-CE1 3.47Å; G659-V683 PolarHBondContact N-O 3.05Å; G659-V683 VanDerWaalsContact N-O 3.15Å; G659-V683 PolarHBondContact O-N 3.2Å
660	T	96.6	Very high	92	Very high	13 Å²	13	42.6 Å²	42.6	8%	0.08	20%	0.199	C	C	.	.	S	Bend	trans	-120	164.9	170.1	58.1	0	0	0	0	110.2	F669 N671 I676 D680	T660-F669 VanDerWaalsContact O-CD1 3.3Å; T660-F669 WeakPolarHBondContact O-CD1 3.47Å; T660-N671 WeakPolarHBondContact O-CB 3.42Å; T660-N671 PolarHBondContact OG1-ND2 3.24Å; T660-I676 HydrophobicContact CG2-CG1 4.1Å; T660-D680 HydrophobicContact CG2-CB 4.15Å
661	E	95.1	Very high	93.5	Very high	133 Å²	133	43.5 Å²	43.5	62%	0.621	20%	0.204	S	C	*	.	S	Bend	trans	58.7	50.8	-177.7	-52.9	177.3	-162.8	0	0	113.1	D663 R670	E661-D663 PolarHBondContact O-N 3.13Å; E661-R670 HydrophobicContact CB-CB 3.97Å; E661-R670 PolarHBondContact O-N 2.98Å
662	W	95.5	Very high	94.7	Very high	42 Å²	42	40.1 Å²	40.1	16%	0.159	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	121.8	171.6	175.2	-111.3	0	0	0	111	P664 R667 F669 V685 Y721	W662-P664 VanDerWaalsContact O-CD 3.22Å; W662-P664 WeakPolarHBondContact O-CD 3.2Å; W662-R667 HydrophobicContact CH2-CB 3.73Å; W662-R667 WeakPolarHBondContact CH2-O 3.5Å; W662-R667 HydrophobicContact CZ2-CB 3.94Å; W662-R667 HydrophobicContact CZ2-CG 4.25Å; W662-R667 WeakPolarHBondContact CZ3-O 3.38Å; W662-F669 HydrophobicContact CB-CD1 3.99Å; W662-F669 HydrophobicContact CB-CE1 3.85Å; W662-F669 HydrophobicContact CE3-CD1 4.14Å; W662-F669 HydrophobicContact CE3-CD2 4.33Å; W662-F669 HydrophobicContact CE3-CE1 4.12Å; W662-F669 HydrophobicContact CE3-CE2 4.29Å; W662-F669 HydrophobicContact CE3-CG 4.28Å; W662-F669 HydrophobicContact CE3-CZ 4.21Å; W662-V685 HydrophobicContact CD2-CG2 3.86Å; W662-V685 HydrophobicContact CE3-CG1 4.49Å; W662-V685 HydrophobicContact CE3-CG2 3.67Å; W662-V685 HydrophobicContact CG-CG2 4.48Å; W662-V685 HydrophobicContact CH2-CG1 3.62Å; W662-V685 HydrophobicContact CH2-CG2 4.17Å; W662-V685 HydrophobicContact CZ2-CG1 4.19Å; W662-V685 HydrophobicContact CZ2-CG2 4.36Å; W662-V685 HydrophobicContact CZ3-CB 4.32Å; W662-V685 HydrophobicContact CZ3-CG1 3.8Å; W662-V685 HydrophobicContact CZ3-CG2 3.83Å; W662-Y721 AromaticContact CH2-CD1 3.95Å; W662-Y721 HydrophobicContact CH2-CD1 3.95Å; W662-Y721 HydrophobicContact CH2-CE1 4.17Å; W662-Y721 HydrophobicContact CZ2-CD1 4.46Å
663	D	95.7	Very high	95	Very high	23 Å²	23	40.2 Å²	40.2	12%	0.123	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	104	172.7	-176.7	-27.4	0	0	0	109.3	E661 K665 E666 R667 I668 R670	E661-D663 PolarHBondContact O-N 3.13Å; D663-K665 PolarHBondContact O-N 3.17Å; D663-K665 WeakPolarHBondContact OD1-CA 3.31Å; D663-K665 WeakPolarHBondContact OD1-CB 3.24Å; D663-K665 PolarHBondContact OD1-N 2.76Å; D663-E666 PolarHBondContact OD1-N 2.87Å; D663-R667 WeakPolarHBondContact O-CA 3.42Å; D663-R667 PolarHBondContact O-N 3.1Å; D663-I668 HydrophobicContact CB-CG1 4.27Å; D663-I668 WeakPolarHBondContact CB-O 3.45Å; D663-I668 PolarHBondContact N-O 3.18Å; D663-R670 HydrophobicContact CB-CG 4.19Å; D663-R670 IonicContact OD2-CZ 3.95Å; D663-R670 VanDerWaalsContact OD2-CZ 3.31Å; D663-R670 IonicContact OD2-NE 3.12Å; D663-R670 PolarHBondContact OD2-NE 3.1Å; D663-R670 IonicContact OD2-NH2 2.79Å; D663-R670 PolarHBondContact OD2-NH2 3.21Å
664	P	92.5	Very high	95.1	Very high	50 Å²	50	41.3 Å²	41.3	33%	0.325	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.2	-179.9	33	-38.2	0	0	0	113.9	K480 W662	K480-P664 HydrophobicContact CB-CG 4.28Å; K480-P664 HydrophobicContact CG-CB 4.27Å; K480-P664 HydrophobicContact CG-CG 4Å; W662-P664 VanDerWaalsContact O-CD 3.22Å; W662-P664 WeakPolarHBondContact O-CD 3.2Å
665	K	94.8	Very high	95.4	Very high	14 Å²	14	36.4 Å²	36.4	6%	0.061	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-49.1	175.1	173.5	-171.2	82.7	79.1	0	109.8	P494 N495 D496 D663	P494-K665 WeakPolarHBondContact O-CD 3.35Å; P494-K665 PolarHBondContact O-NZ 2.89Å; N495-K665 WeakPolarHBondContact ND2-CG 3.32Å; N495-K665 PolarHBondContact ND2-O 3.19Å; D496-K665 IonicContact OD1-NZ 2.66Å; D496-K665 IonicContact OD2-NZ 2.58Å; D496-K665 PolarHBondContact OD2-NZ 3.03Å; D663-K665 PolarHBondContact O-N 3.17Å; D663-K665 WeakPolarHBondContact OD1-CA 3.31Å; D663-K665 WeakPolarHBondContact OD1-CB 3.24Å; D663-K665 PolarHBondContact OD1-N 2.76Å
666	E	96.3	Very high	95.6	Very high	18 Å²	18	34.3 Å²	34.3	8%	0.084	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-10.9	-178.5	-63.9	-53	134	0	0	114.7	N495 D496 V522 D663 I668	N495-E666 VanDerWaalsContact CA-OE1 3.28Å; N495-E666 WeakPolarHBondContact CA-OE1 3.39Å; N495-E666 PolarHBondContact ND2-OE1 3.48Å; D496-E666 PolarHBondContact N-OE1 3.45Å; D496-E666 WeakPolarHBondContact OD2-CG 3.28Å; V522-E666 HydrophobicContact CG1-CB 4.11Å; V522-E666 HydrophobicContact CG1-CG 3.89Å; D663-E666 PolarHBondContact OD1-N 2.87Å; E666-I668 HydrophobicContact CB-CG1 4.18Å
667	R	95.4	Very high	95.8	Very high	71 Å²	71	34.1 Å²	34.1	27%	0.268	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	48.4	177.7	-58.9	150.1	156.5	-163	-13.3	113.1	W662 D663 E720 Y721	W662-R667 HydrophobicContact CH2-CB 3.73Å; W662-R667 WeakPolarHBondContact CH2-O 3.5Å; W662-R667 HydrophobicContact CZ2-CB 3.94Å; W662-R667 HydrophobicContact CZ2-CG 4.25Å; W662-R667 WeakPolarHBondContact CZ3-O 3.38Å; D663-R667 WeakPolarHBondContact O-CA 3.42Å; D663-R667 PolarHBondContact O-N 3.1Å; R667-E720 IonicContact CZ-OE2 3.65Å; R667-E720 IonicContact NH1-OE2 3.88Å; R667-E720 PolarHBondContact NH1-OE2 2.78Å; R667-E720 IonicContact NH2-OE2 3.66Å; R667-E720 PolarHBondContact NH2-OE2 2.89Å; R667-Y721 HydrophobicContact CB-CD2 4.36Å; R667-Y721 HydrophobicContact CB-CE1 4.36Å; R667-Y721 HydrophobicContact CB-CE2 4.13Å; R667-Y721 HydrophobicContact CG-CD2 4.29Å; R667-Y721 HydrophobicContact CG-CE2 4.41Å
668	I	95.9	Very high	96	Very high	42 Å²	42	30.2 Å²	30.2	22%	0.215	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	161.9	175.8	60.8	170.5	0	0	0	110.2	V522 D663 E666 F672	V522-I668 HydrophobicContact CG2-CD1 3.89Å; D663-I668 HydrophobicContact CB-CG1 4.27Å; D663-I668 WeakPolarHBondContact CB-O 3.45Å; D663-I668 PolarHBondContact N-O 3.18Å; E666-I668 HydrophobicContact CB-CG1 4.18Å; I668-F672 HydrophobicContact CD1-CE1 4.08Å; I668-F672 HydrophobicContact CD1-CZ 4.24Å
669	F	97.2	Very high	96	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.075	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134.7	163.5	-68.5	-72.3	0	0	0	110.3	E657 G659 T660 W662 V683 V685	E657-F669 HydrophobicContact CB-CD2 4.45Å; E657-F669 HydrophobicContact CB-CE2 3.84Å; G659-F669 VanDerWaalsContact C-CE1 3.41Å; G659-F669 WeakPolarHBondContact O-CE1 3.47Å; T660-F669 VanDerWaalsContact O-CD1 3.3Å; T660-F669 WeakPolarHBondContact O-CD1 3.47Å; W662-F669 HydrophobicContact CB-CD1 3.99Å; W662-F669 HydrophobicContact CB-CE1 3.85Å; W662-F669 HydrophobicContact CE3-CD1 4.14Å; W662-F669 HydrophobicContact CE3-CD2 4.33Å; W662-F669 HydrophobicContact CE3-CE1 4.12Å; W662-F669 HydrophobicContact CE3-CE2 4.29Å; W662-F669 HydrophobicContact CE3-CG 4.28Å; W662-F669 HydrophobicContact CE3-CZ 4.21Å; F669-V683 HydrophobicContact CE1-CB 4.1Å; F669-V683 HydrophobicContact CZ-CB 4.43Å; F669-V683 WeakPolarHBondContact CZ-O 3.32Å; F669-V685 HydrophobicContact CE1-CG2 4.21Å; F669-V685 HydrophobicContact CE2-CB 4.18Å; F669-V685 HydrophobicContact CE2-CG2 3.94Å; F669-V685 HydrophobicContact CZ-CB 4.1Å; F669-V685 HydrophobicContact CZ-CG2 3.44Å; F669-V685 VanDerWaalsContact CZ-CG2 3.44Å
670	R	96.4	Very high	96.1	Very high	63 Å²	63	35.5 Å²	35.5	24%	0.238	18%	0.18	C	C	.	.	S	Bend	trans	-82.5	-23.1	174.3	-62.7	-61.5	-170.8	151.2	0.8	112.5	E519 E661 D663 F672	E519-R670 IonicContact OE1-NH2 3.6Å; E519-R670 IonicContact OE2-CZ 2.7Å; E519-R670 VanDerWaalsContact OE2-CZ 3.26Å; E519-R670 IonicContact OE2-NH1 2.68Å; E519-R670 PolarHBondContact OE2-NH1 2.79Å; E519-R670 IonicContact OE2-NH2 2.82Å; E519-R670 PolarHBondContact OE2-NH2 3.37Å; E661-R670 HydrophobicContact CB-CB 3.97Å; E661-R670 PolarHBondContact O-N 2.98Å; D663-R670 HydrophobicContact CB-CG 4.19Å; D663-R670 IonicContact OD2-CZ 3.95Å; D663-R670 VanDerWaalsContact OD2-CZ 3.31Å; D663-R670 IonicContact OD2-NE 3.12Å; D663-R670 PolarHBondContact OD2-NE 3.1Å; D663-R670 IonicContact OD2-NH2 2.79Å; D663-R670 PolarHBondContact OD2-NH2 3.21Å; R670-F672 WeakPolarHBondContact O-CD2 3.27Å; R670-F672 PolarHBondContact O-N 2.94Å
671	N	96.7	Very high	96.1	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.118	19%	0.194	C	C	.	.	S	Bend	trans	-74.9	73.4	158.5	-176.3	1.6	0	0	0	109.8	T660 G673 G674 V675	T660-N671 WeakPolarHBondContact O-CB 3.42Å; T660-N671 PolarHBondContact OG1-ND2 3.24Å; N671-G673 PolarHBondContact O-N 3.32Å; N671-G673 VanDerWaalsContact O-N 3.09Å; N671-G674 PolarHBondContact O-N 2.85Å; N671-G674 PolarHBondContact OD1-N 2.92Å; N671-V675 PolarHBondContact ND2-N 2.88Å; N671-V675 PolarHBondContact ND2-O 3.43Å; N671-V675 PolarHBondContact OD1-N 3.47Å
672	F	95.7	Very high	96.2	Very high	49 Å²	49	32.5 Å²	32.5	22%	0.215	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.5	-171.2	-69.7	-83.1	0	0	0	114.9	T521 L604 F606 F611 I668 R670	T521-F672 HydrophobicContact CG2-CZ 4.5Å; L604-F672 HydrophobicContact CD1-CD2 3.63Å; L604-F672 HydrophobicContact CD1-CE2 3.92Å; L604-F672 HydrophobicContact CD1-CG 4.48Å; L604-F672 HydrophobicContact CD2-CB 4.04Å; L604-F672 HydrophobicContact CD2-CD2 4.1Å; L604-F672 HydrophobicContact CD2-CG 4.39Å; F606-F672 AromaticContact CE1-CD1 3.96Å; F606-F672 HydrophobicContact CE1-CD1 3.96Å; F606-F672 AromaticContact CE1-CE1 3.96Å; F606-F672 HydrophobicContact CE1-CE1 3.96Å; F606-F672 AromaticContact CZ-CD1 3.73Å; F606-F672 HydrophobicContact CZ-CD1 3.73Å; F606-F672 HydrophobicContact CZ-CD2 4.28Å; F606-F672 AromaticContact CZ-CE1 3.72Å; F606-F672 HydrophobicContact CZ-CE1 3.72Å; F606-F672 HydrophobicContact CZ-CE2 4.27Å; F606-F672 HydrophobicContact CZ-CG 4.03Å; F606-F672 HydrophobicContact CZ-CZ 4.01Å; F611-F672 HydrophobicContact CD1-CB 4.25Å; F611-F672 WeakPolarHBondContact CD1-O 3.48Å; F611-F672 HydrophobicContact CD2-CB 4.11Å; F611-F672 HydrophobicContact CE1-CB 4.3Å; F611-F672 WeakPolarHBondContact CE1-O 3.46Å; F611-F672 HydrophobicContact CE2-CB 4.15Å; F611-F672 HydrophobicContact CG-CB 4.16Å; F611-F672 HydrophobicContact CZ-CB 4.23Å; I668-F672 HydrophobicContact CD1-CE1 4.08Å; I668-F672 HydrophobicContact CD1-CZ 4.24Å; R670-F672 WeakPolarHBondContact O-CD2 3.27Å; R670-F672 PolarHBondContact O-N 2.94Å
673	G	94.1	Very high	96.2	Very high	15 Å²	15	31 Å²	31	16%	0.155	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.3	177.7	0	0	0	0	0	115.2	Y614 N671 V675 W830	Y614-G673 WeakPolarHBondContact OH-CA 3.24Å; Y614-G673 PolarHBondContact OH-N 3.22Å; N671-G673 PolarHBondContact O-N 3.32Å; N671-G673 VanDerWaalsContact O-N 3.09Å; G673-V675 VanDerWaalsContact C-N 3.26Å; G673-V675 PolarHBondContact O-N 2.88Å; G673-W830 WeakPolarHBondContact O-CZ2 3.41Å
674	G	94.8	Very high	96.3	Very high	23 Å²	23	29.9 Å²	29.9	24%	0.237	16%	0.155	C	C	.	.			trans	59.1	36.8	-175.3	0	0	0	0	0	113	N671 I676	N671-G674 PolarHBondContact O-N 2.85Å; N671-G674 PolarHBondContact OD1-N 2.92Å; G674-I676 WeakPolarHBondContact O-CG1 3.41Å; G674-I676 PolarHBondContact O-N 3.49Å; G674-I676 VanDerWaalsContact O-N 3.08Å
675	V	95.8	Very high	96.5	Very high	14 Å²	14	27.7 Å²	27.7	9%	0.085	14%	0.141	C	C	.	.			trans	-72.7	100.6	175.9	173.4	0	0	0	0	108.1	V565 A569 F573 Y614 N671 G673 M756	V565-V675 HydrophobicContact CG1-CG1 3.77Å; A569-V675 HydrophobicContact CB-CG1 3.65Å; A569-V675 HydrophobicContact CB-CG2 4.32Å; F573-V675 HydrophobicContact CZ-CG2 4.33Å; Y614-V675 HydrophobicContact CE2-CG2 3.7Å; N671-V675 PolarHBondContact ND2-N 2.88Å; N671-V675 PolarHBondContact ND2-O 3.43Å; N671-V675 PolarHBondContact OD1-N 3.47Å; G673-V675 VanDerWaalsContact C-N 3.26Å; G673-V675 PolarHBondContact O-N 2.88Å; V675-M756 HydrophobicContact CG1-CE 4.49Å
676	I	98.1	Very high	96.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-120.4	133.9	-171.1	-66.4	163.9	0	0	0	109.2	T660 G674 D680 P682 F753 V755 M756	T660-I676 HydrophobicContact CG2-CG1 4.1Å; G674-I676 WeakPolarHBondContact O-CG1 3.41Å; G674-I676 PolarHBondContact O-N 3.49Å; G674-I676 VanDerWaalsContact O-N 3.08Å; I676-D680 HydrophobicContact CG2-CB 3.99Å; I676-P682 HydrophobicContact CD1-CB 4.45Å; I676-F753 HydrophobicContact CD1-CD2 3.91Å; I676-F753 HydrophobicContact CD1-CE2 4.42Å; I676-V755 HydrophobicContact CG2-CG2 4.1Å; I676-M756 WeakPolarHBondContact O-CB 3.33Å; I676-M756 PolarHBondContact O-N 2.96Å
677	G	97.9	Very high	96.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.			trans	-112.3	-178.9	174.9	0	0	0	0	0	113.3	L679 D680	G677-L679 PolarHBondContact O-N 2.9Å; G677-L679 VanDerWaalsContact O-N 3.15Å; G677-D680 PolarHBondContact N-OD2 3.33Å; G677-D680 PolarHBondContact O-N 3.29Å
678	P	97.9	Very high	96.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.4	-171.5	-22.7	36	0	0	0	115.3	P731 L732 P734 V755 M756 L758 L774	P678-P731 HydrophobicContact CB-CB 3.81Å; P678-P731 CarbonylContact O-C 3.51Å; P678-P731 WeakPolarHBondContact O-CA 3.43Å; P678-L732 WeakPolarHBondContact CB-O 3.1Å; P678-L732 PolarHBondContact O-N 3.43Å; P678-P734 HydrophobicContact CG-CG 4.19Å; P678-V755 HydrophobicContact CG-CG1 4.41Å; P678-M756 WeakPolarHBondContact CD-O 3.3Å; P678-L758 HydrophobicContact CG-CG 4.16Å; P678-L774 VanDerWaalsContact CB-O 3.27Å; P678-L774 WeakPolarHBondContact CB-O 3.15Å
679	L	97.4	Very high	96.2	Very high	83 Å²	83	29 Å²	29	44%	0.435	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-3.8	-177.3	-58.8	-179.5	0	0	0	113.8	G677 R730 P731 W773 L774	G677-L679 PolarHBondContact O-N 2.9Å; G677-L679 VanDerWaalsContact O-N 3.15Å; L679-R730 WeakPolarHBondContact O-CD 3.31Å; L679-R730 PolarHBondContact O-NH1 3.21Å; L679-P731 HydrophobicContact CD2-CB 4.15Å; L679-W773 HydrophobicContact CD2-CH2 4.42Å; L679-W773 HydrophobicContact CD2-CZ3 4.2Å; L679-L774 HydrophobicContact CD1-CD2 4.01Å; L679-L774 HydrophobicContact CD2-CD2 4.14Å; L679-L774 HydrophobicContact CG-CD2 4.13Å
680	D	97.6	Very high	95.9	Very high	52 Å²	52	37.5 Å²	37.5	28%	0.278	18%	0.184	S	C	.	.			trans	-75.5	163.3	-179.5	-74.1	-49.8	0	0	0	112.8	T660 I676 G677 P682 L732	T660-D680 HydrophobicContact CG2-CB 4.15Å; I676-D680 HydrophobicContact CG2-CB 3.99Å; G677-D680 PolarHBondContact N-OD2 3.33Å; G677-D680 PolarHBondContact O-N 3.29Å; D680-P682 WeakPolarHBondContact O-CD 3.31Å; D680-L732 WeakPolarHBondContact O-CD1 3.24Å
681	E	96.6	Very high	95.5	Very high	79 Å²	79	35.5 Å²	35.5	37%	0.369	18%	0.183	S	C	.	.			trans	-117.1	87.5	-179.2	-58.9	179.5	-176.8	0	0	110.4	K725 R730	E681-K725 HydrophobicContact CB-CD 3.92Å; E681-K725 HydrophobicContact CB-CG 4.43Å; E681-K725 WeakPolarHBondContact OE2-CE 3.43Å; E681-K725 IonicContact OE2-NZ 3.94Å; E681-K725 PolarHBondContact OE2-NZ 3.46Å; E681-R730 IonicContact OE1-CZ 3.99Å; E681-R730 IonicContact OE1-NH1 3.47Å; E681-R730 PolarHBondContact OE1-NH1 3.39Å; E681-R730 IonicContact OE1-NH2 2.66Å; E681-R730 PolarHBondContact OE1-NH2 2.92Å
682	P	97.3	Very high	95.2	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.019	21%	0.207	C	C	.	.			trans	-68.7	143.3	-176	28.3	-35.2	0	0	0	112.3	V658 I676 D680 W700 L732 F753	V658-P682 HydrophobicContact CG1-CB 3.89Å; I676-P682 HydrophobicContact CD1-CB 4.45Å; D680-P682 WeakPolarHBondContact O-CD 3.31Å; P682-W700 HydrophobicContact CB-CH2 4.05Å; P682-W700 HydrophobicContact CB-CZ3 3.96Å; P682-W700 HydrophobicContact CG-CH2 4.18Å; P682-W700 HydrophobicContact CG-CZ3 3.79Å; P682-L732 HydrophobicContact CG-CD1 3.89Å; P682-F753 HydrophobicContact CB-CE2 4.14Å; P682-F753 HydrophobicContact CB-CZ 4.34Å; P682-F753 HydrophobicContact CG-CE2 4.2Å; P682-F753 HydrophobicContact CG-CZ 4.2Å
683	V	97.3	Very high	95.1	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.5	175.8	-168.2	0	0	0	0	108.3	V658 G659 F669 V685 Q723 Y724 K725	V658-V683 WeakPolarHBondContact CA-O 3.29Å; G659-V683 PolarHBondContact N-O 3.05Å; G659-V683 VanDerWaalsContact N-O 3.15Å; G659-V683 PolarHBondContact O-N 3.2Å; F669-V683 HydrophobicContact CE1-CB 4.1Å; F669-V683 HydrophobicContact CZ-CB 4.43Å; F669-V683 WeakPolarHBondContact CZ-O 3.32Å; V683-V685 HydrophobicContact CG1-CG2 4.37Å; V683-Q723 HydrophobicContact CG1-CB 4.27Å; V683-Y724 WeakPolarHBondContact CG1-O 3.24Å; V683-K725 HydrophobicContact CG1-CB 4.34Å; V683-K725 HydrophobicContact CG2-CB 4.01Å; V683-K725 HydrophobicContact CG2-CD 4.12Å; V683-K725 HydrophobicContact CG2-CG 3.96Å
684	A	96.4	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.2	169.2	0	0	0	0	0	110	E657 V658 Q686 W700 Q723 Y724 V739	E657-A684 WeakPolarHBondContact O-CA 3.08Å; V658-A684 HydrophobicContact CG2-CB 4.26Å; A684-Q686 PolarHBondContact O-NE2 2.93Å; A684-W700 HydrophobicContact CB-CH2 3.95Å; A684-W700 HydrophobicContact CB-CZ2 3.34Å; A684-Q723 WeakPolarHBondContact O-CA 3.48Å; A684-Y724 PolarHBondContact N-O 2.88Å; A684-Y724 VanDerWaalsContact N-O 3.12Å; A684-Y724 PolarHBondContact O-N 3.26Å; A684-V739 HydrophobicContact CB-CG1 4.26Å
685	V	96.7	Very high	94.9	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.1	178.7	173.3	0	0	0	0	109.3	L656 E657 W662 F669 V683 Y721 T722 Q723	L656-V685 WeakPolarHBondContact CA-O 3.49Å; E657-V685 PolarHBondContact N-O 3.21Å; E657-V685 PolarHBondContact O-N 3.43Å; W662-V685 HydrophobicContact CD2-CG2 3.86Å; W662-V685 HydrophobicContact CE3-CG1 4.49Å; W662-V685 HydrophobicContact CE3-CG2 3.67Å; W662-V685 HydrophobicContact CG-CG2 4.48Å; W662-V685 HydrophobicContact CH2-CG1 3.62Å; W662-V685 HydrophobicContact CH2-CG2 4.17Å; W662-V685 HydrophobicContact CZ2-CG1 4.19Å; W662-V685 HydrophobicContact CZ2-CG2 4.36Å; W662-V685 HydrophobicContact CZ3-CB 4.32Å; W662-V685 HydrophobicContact CZ3-CG1 3.8Å; W662-V685 HydrophobicContact CZ3-CG2 3.83Å; F669-V685 HydrophobicContact CE1-CG2 4.21Å; F669-V685 HydrophobicContact CE2-CB 4.18Å; F669-V685 HydrophobicContact CE2-CG2 3.94Å; F669-V685 HydrophobicContact CZ-CB 4.1Å; F669-V685 HydrophobicContact CZ-CG2 3.44Å; F669-V685 VanDerWaalsContact CZ-CG2 3.44Å; V683-V685 HydrophobicContact CG1-CG2 4.37Å; V685-Y721 HydrophobicContact CG1-CD1 3.9Å; V685-Y721 HydrophobicContact CG1-CE1 4.5Å; V685-T722 WeakPolarHBondContact CA-O 3.34Å; V685-Q723 HydrophobicContact CG2-CB 3.83Å
686	Q	95.6	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.2	175.9	-51.1	73.1	50.9	0	0	108.5	L653 N655 L656 A684 W688 I698 I713 Y721 T722 V741	L653-Q686 HydrophobicContact CD1-CB 4.03Å; N655-Q686 WeakPolarHBondContact O-CA 3.27Å; L656-Q686 HydrophobicContact CD1-CG 3.91Å; A684-Q686 PolarHBondContact O-NE2 2.93Å; Q686-W688 HydrophobicContact CB-CZ2 3.64Å; Q686-W688 HydrophobicContact CG-CZ2 4.11Å; Q686-W688 PolarHBondContact O-NE1 2.8Å; Q686-I698 HydrophobicContact CG-CD1 4.27Å; Q686-I713 HydrophobicContact CG-CD1 4.41Å; Q686-Y721 VanDerWaalsContact O-CA 3.31Å; Q686-Y721 WeakPolarHBondContact O-CA 3.22Å; Q686-T722 PolarHBondContact N-O 2.9Å; Q686-T722 PolarHBondContact O-N 2.85Å; Q686-T722 PolarHBondContact OE1-O 2.91Å; Q686-T722 PolarHBondContact OE1-OG1 2.69Å; Q686-V741 HydrophobicContact CG-CG2 4.39Å
687	K	94.8	Very high	94.7	Very high	90 Å²	90	44.6 Å²	44.6	39%	0.391	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.9	177.3	-173.2	176.3	-177.5	168.4	0	110.1	K654 N655 Y721	K654-K687 PolarHBondContact N-O 2.95Å; N655-K687 HydrophobicContact CB-CB 3.74Å; N655-K687 HydrophobicContact CB-CD 4.35Å; N655-K687 PolarHBondContact N-O 2.9Å; N655-K687 PolarHBondContact O-N 3.05Å; K687-Y721 HydrophobicContact CB-CD1 4.2Å; K687-Y721 HydrophobicContact CB-CE1 3.95Å; K687-Y721 HydrophobicContact CD-CE1 3.97Å; K687-Y721 VanDerWaalsContact CE-OH 3.29Å; K687-Y721 WeakPolarHBondContact CE-OH 3.42Å; K687-Y721 HydrophobicContact CG-CD1 4.28Å; K687-Y721 HydrophobicContact CG-CE1 3.79Å; K687-Y721 HydrophobicContact CG-CE2 4.36Å; K687-Y721 PolarHBondContact NZ-OH 2.96Å
688	W	93.3	Very high	94.6	Very high	8 Å²	8	44.6 Å²	44.6	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.4	-173.2	-51.9	95.9	0	0	0	112	F650 R652 L653 Q686 L694 A696 I713 V715 A719 E720 T722	F650-W688 HydrophobicContact CD1-CZ3 4.03Å; F650-W688 AromaticContact CE1-CH2 3.81Å; F650-W688 HydrophobicContact CE1-CH2 3.81Å; F650-W688 AromaticContact CE1-CZ3 3.67Å; F650-W688 HydrophobicContact CE1-CZ3 3.67Å; R652-W688 HydrophobicContact CB-CE3 4.03Å; R652-W688 CarbonylContact O-C 3.36Å; R652-W688 VanDerWaalsContact O-CA 3.27Å; R652-W688 WeakPolarHBondContact O-CA 3.32Å; L653-W688 HydrophobicContact CB-CE3 3.96Å; L653-W688 HydrophobicContact CB-CH2 4.44Å; L653-W688 HydrophobicContact CB-CZ3 3.72Å; L653-W688 HydrophobicContact CD1-CD2 4.3Å; L653-W688 HydrophobicContact CD1-CE3 4.1Å; L653-W688 HydrophobicContact CD1-CH2 3.96Å; L653-W688 HydrophobicContact CD1-CZ2 4.14Å; L653-W688 HydrophobicContact CD1-CZ3 3.95Å; L653-W688 HydrophobicContact CG-CZ3 4.34Å; Q686-W688 HydrophobicContact CB-CZ2 3.64Å; Q686-W688 HydrophobicContact CG-CZ2 4.11Å; Q686-W688 PolarHBondContact O-NE1 2.8Å; W688-L694 HydrophobicContact CH2-CD1 4.33Å; W688-L694 HydrophobicContact CZ3-CD1 4.23Å; W688-A696 HydrophobicContact CH2-CB 4.15Å; W688-I713 HydrophobicContact CZ2-CD1 4.07Å; W688-V715 HydrophobicContact CB-CG1 4.35Å; W688-V715 HydrophobicContact CD2-CG1 3.58Å; W688-V715 HydrophobicContact CD2-CG2 4.34Å; W688-V715 HydrophobicContact CE3-CG1 4Å; W688-V715 HydrophobicContact CG-CG1 3.72Å; W688-V715 HydrophobicContact CH2-CG2 3.96Å; W688-V715 HydrophobicContact CZ2-CG1 4.38Å; W688-V715 HydrophobicContact CZ2-CG2 3.6Å; W688-V715 HydrophobicContact CZ3-CG2 4.46Å; W688-A719 WeakPolarHBondContact CB-O 3.22Å; W688-E720 PolarHBondContact N-O 3.11Å; W688-T722 PolarHBondContact NE1-OG1 2.89Å
689	V	92	Very high	94.6	Very high	73 Å²	73	44.5 Å²	44.5	44%	0.442	23%	0.232	S	C	.	.			trans	-95.8	151.7	162.7	170.3	0	0	0	0	109.1	R652 K654	R652-V689 PolarHBondContact NE-O 3.36Å; R652-V689 PolarHBondContact NH2-O 3.07Å; R652-V689 PolarHBondContact O-N 3.29Å; K654-V689 HydrophobicContact CD-CG2 4.34Å; K654-V689 HydrophobicContact CG-CG2 3.57Å
690	R	90.8	Very high	94.6	Very high	197 Å²	197	40.6 Å²	40.6	74%	0.743	21%	0.212	S	C	*	.	S	Bend	trans	-53.7	135.9	175.5	-169.3	-176.5	-178.1	172.9	0	111.4	V717	R690-V717 VanDerWaalsContact CA-O 3.31Å; R690-V717 WeakPolarHBondContact CA-O 3.38Å; R690-V717 HydrophobicContact CG-CG1 4.17Å; R690-V717 VanDerWaalsContact CG-O 3.24Å; R690-V717 WeakPolarHBondContact CG-O 3.3Å
691	G	89.6	Confident	94.6	Very high	21 Å²	21	38.2 Å²	38.2	22%	0.216	20%	0.199	C	C	.	.			trans	-174	-165.7	-178.6	0	0	0	0	0	112.3	V717	G691-V717 PolarHBondContact N-O 3.45Å; G691-V717 VanDerWaalsContact O-CA 3.22Å; G691-V717 WeakPolarHBondContact O-CA 3.41Å; G691-V717 WeakPolarHBondContact O-CG1 3.46Å
692	P	90.7	Very high	94.6	Very high	98 Å²	98	34.5 Å²	34.5	64%	0.636	18%	0.182	S	C	*	.	S	Bend	trans	-68.8	152.8	173.4	29.7	-35	0	0	0	111.7	R652 L694	R652-P692 PolarHBondContact NH1-O 3.16Å; P692-L694 PolarHBondContact O-N 3.07Å
693	N	92.4	Very high	94.5	Very high	96 Å²	96	35.8 Å²	35.8	51%	0.513	19%	0.19	S	C	.	.			trans	-55.9	136.5	172.4	-85.7	36	0	0	0	110.5	V715 D716 V717	N693-V715 WeakPolarHBondContact CA-O 3.42Å; N693-D716 PolarHBondContact ND2-OD1 3.09Å; N693-D716 WeakPolarHBondContact OD1-CA 3.2Å; N693-V717 WeakPolarHBondContact OD1-CG2 3.02Å; N693-V717 PolarHBondContact OD1-N 2.83Å
694	L	91.4	Very high	94.4	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.115	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.6	173.4	64.4	78.1	0	0	0	111.2	F650 W688 P692 A696 V715	F650-L694 HydrophobicContact CD2-CD2 4.18Å; F650-L694 HydrophobicContact CE1-CD1 4.13Å; F650-L694 HydrophobicContact CE1-CD2 4.31Å; F650-L694 HydrophobicContact CE2-CD1 4.09Å; F650-L694 HydrophobicContact CE2-CD2 3.83Å; F650-L694 HydrophobicContact CE2-CG 4.45Å; F650-L694 HydrophobicContact CZ-CD1 3.58Å; F650-L694 HydrophobicContact CZ-CD2 3.96Å; F650-L694 HydrophobicContact CZ-CG 4.37Å; W688-L694 HydrophobicContact CH2-CD1 4.33Å; W688-L694 HydrophobicContact CZ3-CD1 4.23Å; P692-L694 PolarHBondContact O-N 3.07Å; L694-A696 HydrophobicContact CD1-CB 4.19Å; L694-V715 HydrophobicContact CD1-CB 3.73Å; L694-V715 HydrophobicContact CD1-CG2 3.64Å; L694-V715 HydrophobicContact CG-CB 4.1Å; L694-V715 PolarHBondContact N-O 3.12Å; L694-V715 PolarHBondContact O-N 2.9Å
695	T	93.5	Very high	94.3	Very high	85 Å²	85	37.5 Å²	37.5	52%	0.521	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.2	166.5	-52.1	0	0	0	0	108.5	D712 I713	T695-D712 HydrophobicContact CG2-CB 3.88Å; T695-I713 WeakPolarHBondContact CA-O 3.44Å
696	A	93.5	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.6	173.8	0	0	0	0	0	110	F650 W688 L694 D712 I713 V741 L742	F650-A696 HydrophobicContact CE1-CB 4.16Å; F650-A696 HydrophobicContact CZ-CB 3.85Å; W688-A696 HydrophobicContact CH2-CB 4.15Å; L694-A696 HydrophobicContact CD1-CB 4.19Å; A696-D712 WeakPolarHBondContact O-CA 3.46Å; A696-I713 HydrophobicContact CB-CG1 4.05Å; A696-I713 PolarHBondContact N-O 3.29Å; A696-I713 WeakPolarHBondContact O-CG1 3.5Å; A696-I713 PolarHBondContact O-N 2.94Å; A696-V741 HydrophobicContact CB-CG1 4.06Å; A696-L742 WeakPolarHBondContact CA-O 2.98Å
697	T	95.6	Very high	94.2	Very high	13 Å²	13	38 Å²	38	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.5	175	-46.8	0	0	0	0	108.9	V699 D712 L742 W745	T697-V699 HydrophobicContact CG2-CG2 4.13Å; T697-D712 VanDerWaalsContact CA-OD1 3.3Å; T697-D712 WeakPolarHBondContact CA-OD1 3.46Å; T697-D712 WeakPolarHBondContact CB-OD1 3.16Å; T697-D712 WeakPolarHBondContact CG2-OD1 3.12Å; T697-D712 PolarHBondContact OG1-OD1 3.12Å; T697-L742 PolarHBondContact N-O 2.85Å; T697-L742 PolarHBondContact O-N 2.04Å; T697-W745 HydrophobicContact CG2-CZ3 4.42Å
698	I	96.4	Very high	94.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.3	174.9	-48.9	-59.7	0	0	0	108.8	Q686 S710 Y711 I713 V739 R740 V741	Q686-I698 HydrophobicContact CG-CD1 4.27Å; I698-S710 WeakPolarHBondContact O-CA 3.24Å; I698-Y711 HydrophobicContact CB-CD2 4.09Å; I698-Y711 HydrophobicContact CB-CE1 4.23Å; I698-Y711 HydrophobicContact CB-CE2 3.57Å; I698-Y711 HydrophobicContact CG1-CD2 4.29Å; I698-Y711 HydrophobicContact CG1-CE2 3.71Å; I698-Y711 HydrophobicContact CG2-CE1 4.26Å; I698-Y711 HydrophobicContact CG2-CE2 4.09Å; I698-Y711 WeakPolarHBondContact CG2-OH 3.17Å; I698-Y711 PolarHBondContact N-O 2.97Å; I698-Y711 PolarHBondContact O-N 3.14Å; I698-I713 HydrophobicContact CD1-CD1 3.85Å; I698-I713 HydrophobicContact CD1-CG1 4.26Å; I698-I713 HydrophobicContact CG1-CD1 3.96Å; I698-I713 HydrophobicContact CG1-CG1 4.07Å; I698-I713 HydrophobicContact CG1-CG2 4.31Å; I698-V739 HydrophobicContact CG2-CG1 3.76Å; I698-R740 WeakPolarHBondContact CA-O 3.42Å; I698-V741 HydrophobicContact CD1-CB 4.39Å; I698-V741 HydrophobicContact CD1-CG1 4.33Å; I698-V741 HydrophobicContact CD1-CG2 3.78Å
699	V	97.3	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.4	179.5	-172.2	0	0	0	0	110.5	T697 I701 V707 A709 V739 R740 L742 L795	T697-V699 HydrophobicContact CG2-CG2 4.13Å; V699-I701 HydrophobicContact CG1-CG1 4.2Å; V699-V707 HydrophobicContact CG1-CG1 3.72Å; V699-A709 WeakPolarHBondContact CA-O 3.4Å; V699-V739 CarbonylContact O-C 3.59Å; V699-V739 WeakPolarHBondContact O-CA 3.44Å; V699-R740 PolarHBondContact N-O 3.21Å; V699-R740 PolarHBondContact O-N 2.94Å; V699-L742 HydrophobicContact CG2-CD1 3.6Å; V699-L742 HydrophobicContact CG2-CG 4.3Å; V699-L795 HydrophobicContact CG1-CD1 3.82Å; V699-L795 HydrophobicContact CG2-CD2 4.42Å
700	W	97.8	Very high	94.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.5	176.2	-65.4	67.8	0	0	0	109.8	V658 P682 A684 V707 A708 A709 Y711 P726 L728 W737 V739 F753	V658-W700 HydrophobicContact CG1-CH2 3.85Å; V658-W700 HydrophobicContact CG1-CZ3 3.91Å; P682-W700 HydrophobicContact CB-CH2 4.05Å; P682-W700 HydrophobicContact CB-CZ3 3.96Å; P682-W700 HydrophobicContact CG-CH2 4.18Å; P682-W700 HydrophobicContact CG-CZ3 3.79Å; A684-W700 HydrophobicContact CB-CH2 3.95Å; A684-W700 HydrophobicContact CB-CZ2 3.34Å; W700-V707 CarbonylContact O-C 3.59Å; W700-A708 HydrophobicContact CB-CB 4.27Å; W700-A708 PolarHBondContact O-N 3.12Å; W700-A709 HydrophobicContact CB-CB 4.32Å; W700-A709 HydrophobicContact CG-CB 4.41Å; W700-A709 PolarHBondContact N-O 2.8Å; W700-Y711 AromaticContact CD1-CE1 3.73Å; W700-Y711 AromaticContact NE1-CE1 3.45Å; W700-Y711 AromaticContact NE1-CZ 3.63Å; W700-Y711 PolarHBondContact NE1-OH 3.36Å; W700-P726 HydrophobicContact CD2-CG 4.1Å; W700-P726 HydrophobicContact CH2-CG 4.2Å; W700-P726 HydrophobicContact CZ2-CG 3.65Å; W700-L728 HydrophobicContact CE3-CD1 4.41Å; W700-W737 HydrophobicContact CE3-CE3 4.49Å; W700-V739 HydrophobicContact CD2-CG2 3.58Å; W700-V739 HydrophobicContact CE3-CG2 3.53Å; W700-V739 HydrophobicContact CG-CG2 4.11Å; W700-V739 HydrophobicContact CH2-CG2 4.34Å; W700-V739 HydrophobicContact CZ2-CG2 4.38Å; W700-V739 HydrophobicContact CZ3-CG2 3.92Å; W700-F753 AromaticContact CE3-CE1 3.94Å; W700-F753 HydrophobicContact CE3-CE1 3.94Å; W700-F753 HydrophobicContact CE3-CZ 4.03Å; W700-F753 AromaticContact CZ3-CE1 3.72Å; W700-F753 HydrophobicContact CZ3-CE1 3.72Å; W700-F753 AromaticContact CZ3-CZ 3.66Å; W700-F753 HydrophobicContact CZ3-CZ 3.66Å
701	I	97	Very high	94.8	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.5	-177.2	-54.7	160.3	0	0	0	108.6	V699 T706 T738 R740 L797	V699-I701 HydrophobicContact CG1-CG1 4.2Å; I701-T706 CarbonylContact C-O 3.51Å; I701-T706 WeakPolarHBondContact CA-O 3.28Å; I701-T738 PolarHBondContact N-O 3Å; I701-T738 PolarHBondContact O-N 3.25Å; I701-R740 HydrophobicContact CD1-CG 4.35Å; I701-L797 HydrophobicContact CD1-CD1 4.45Å; I701-L797 HydrophobicContact CD1-CD2 3.82Å; I701-L797 HydrophobicContact CG1-CD1 4.49Å; I701-L797 HydrophobicContact CG2-CD1 4.31Å
702	D	96.7	Very high	95.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.157	C	C	.	.			trans	-83.6	168.6	180	105.1	-34.3	0	0	0	112.7	A704 Q705 T706 R733 W737 Y783	D702-A704 PolarHBondContact O-N 3.49Å; D702-A704 VanDerWaalsContact OD1-C 3.26Å; D702-A704 WeakPolarHBondContact OD1-CA 3.38Å; D702-A704 WeakPolarHBondContact OD1-CB 3.33Å; D702-A704 PolarHBondContact OD1-N 2.88Å; D702-Q705 WeakPolarHBondContact O-CA 3.28Å; D702-Q705 PolarHBondContact O-N 2.8Å; D702-Q705 PolarHBondContact OD1-N 2.88Å; D702-T706 PolarHBondContact N-O 3.33Å; D702-T706 WeakPolarHBondContact OD1-CA 3.22Å; D702-T706 WeakPolarHBondContact OD1-CB 3.41Å; D702-T706 PolarHBondContact OD1-N 3.02Å; D702-T706 PolarHBondContact OD1-OG1 2.89Å; D702-R733 WeakPolarHBondContact OD2-CD 3.43Å; D702-R733 IonicContact OD2-CZ 3.65Å; D702-R733 IonicContact OD2-NE 2.66Å; D702-R733 IonicContact OD2-NH1 2.74Å; D702-R733 PolarHBondContact OD2-NH1 2.69Å; D702-W737 HydrophobicContact CB-CD2 4.19Å; D702-W737 HydrophobicContact CB-CE3 4.19Å; D702-W737 HydrophobicContact CB-CH2 3.79Å; D702-W737 HydrophobicContact CB-CZ2 3.75Å; D702-W737 HydrophobicContact CB-CZ3 4.01Å; D702-Y783 HydrophobicContact CB-CE2 3.8Å; D702-Y783 WeakPolarHBondContact OD2-CE2 3.37Å; D702-Y783 PolarHBondContact OD2-OH 3.25Å
703	P	96.7	Very high	95.3	Very high	29 Å²	29	24 Å²	24	19%	0.188	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.9	-177	-24.8	35.2	0	0	0	113.4	Q705 R733 W737	P703-Q705 PolarHBondContact O-N 2.75Å; P703-Q705 PolarHBondContact O-NE2 3.23Å; P703-Q705 VanDerWaalsContact O-NE2 3.1Å; P703-R733 HydrophobicContact CG-CG 4.37Å; P703-W737 HydrophobicContact CG-CG 4.45Å
704	A	95.1	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	19.1	173.8	0	0	0	0	0	112.8	D702 T706 Q800 L804	D702-A704 PolarHBondContact O-N 3.49Å; D702-A704 VanDerWaalsContact OD1-C 3.26Å; D702-A704 WeakPolarHBondContact OD1-CA 3.38Å; D702-A704 WeakPolarHBondContact OD1-CB 3.33Å; D702-A704 PolarHBondContact OD1-N 2.88Å; A704-T706 PolarHBondContact O-N 2.98Å; A704-Q800 WeakPolarHBondContact O-CG 3.18Å; A704-L804 HydrophobicContact CB-CB 4.43Å; A704-L804 HydrophobicContact CB-CD1 4.23Å
705	Q	94	Very high	95.5	Very high	48 Å²	48	21.1 Å²	21.1	22%	0.224	13%	0.13	C	C	.	.	S	Bend	trans	61.3	23.1	-179.3	-50.2	-55.2	-65.4	0	0	114	D702 P703 R792 P798 A803	D702-Q705 WeakPolarHBondContact O-CA 3.28Å; D702-Q705 PolarHBondContact O-N 2.8Å; D702-Q705 PolarHBondContact OD1-N 2.88Å; P703-Q705 PolarHBondContact O-N 2.75Å; P703-Q705 PolarHBondContact O-NE2 3.23Å; P703-Q705 VanDerWaalsContact O-NE2 3.1Å; Q705-R792 VanDerWaalsContact O-CZ 3.3Å; Q705-R792 PolarHBondContact O-NH1 3.02Å; Q705-R792 PolarHBondContact O-NH2 2.92Å; Q705-P798 HydrophobicContact CG-CB 4.4Å; Q705-A803 HydrophobicContact CG-CB 4.4Å
706	T	93.3	Very high	95.5	Very high	6 Å²	6	21.6 Å²	21.6	4%	0.037	13%	0.13	C	C	.	.			trans	-81.6	128.4	178.5	-39.7	0	0	0	0	109.5	I701 D702 A704 A708 Y783 Q800	I701-T706 CarbonylContact C-O 3.51Å; I701-T706 WeakPolarHBondContact CA-O 3.28Å; D702-T706 PolarHBondContact N-O 3.33Å; D702-T706 WeakPolarHBondContact OD1-CA 3.22Å; D702-T706 WeakPolarHBondContact OD1-CB 3.41Å; D702-T706 PolarHBondContact OD1-N 3.02Å; D702-T706 PolarHBondContact OD1-OG1 2.89Å; A704-T706 PolarHBondContact O-N 2.98Å; T706-A708 PolarHBondContact O-N 3Å; T706-A708 VanDerWaalsContact O-N 3.17Å; T706-Y783 HydrophobicContact CG2-CD2 4.44Å; T706-Y783 HydrophobicContact CG2-CE2 4.38Å; T706-Q800 PolarHBondContact OG1-NE2 3.42Å
707	V	95.6	Very high	95.5	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.055	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	106.9	171.3	-176.9	0	0	0	0	108.1	V699 W700 F788 L791 L795 L797	V699-V707 HydrophobicContact CG1-CG1 3.72Å; W700-V707 CarbonylContact O-C 3.59Å; V707-F788 HydrophobicContact CB-CB 3.76Å; V707-F788 HydrophobicContact CG1-CB 3.5Å; V707-F788 VanDerWaalsContact CG1-CB 3.5Å; V707-F788 HydrophobicContact CG1-CG 4.14Å; V707-L791 HydrophobicContact CG1-CD1 4.49Å; V707-L795 HydrophobicContact CG2-CD1 3.86Å; V707-L797 HydrophobicContact CG2-CD1 3.64Å
708	A	96	Very high	95.3	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-35.8	-172.4	0	0	0	0	0	112.8	W700 T706 L728 W737 Y783	W700-A708 HydrophobicContact CB-CB 4.27Å; W700-A708 PolarHBondContact O-N 3.12Å; T706-A708 PolarHBondContact O-N 3Å; T706-A708 VanDerWaalsContact O-N 3.17Å; A708-L728 HydrophobicContact CB-CD2 4.24Å; A708-W737 HydrophobicContact CB-CH2 3.94Å; A708-W737 HydrophobicContact CB-CZ3 3.64Å; A708-Y783 HydrophobicContact CB-CD1 4.37Å; A708-Y783 HydrophobicContact CB-CD2 3.46Å; A708-Y783 VanDerWaalsContact CB-CD2 3.46Å; A708-Y783 HydrophobicContact CB-CE2 4.11Å; A708-Y783 HydrophobicContact CB-CG 3.61Å
709	A	96.4	Very high	95.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	149	175	0	0	0	0	0	110.8	V699 W700 Y711 P726 L728 L784	V699-A709 WeakPolarHBondContact CA-O 3.4Å; W700-A709 HydrophobicContact CB-CB 4.32Å; W700-A709 HydrophobicContact CG-CB 4.41Å; W700-A709 PolarHBondContact N-O 2.8Å; A709-Y711 HydrophobicContact CB-CD1 4.47Å; A709-P726 HydrophobicContact CB-CB 4.17Å; A709-L728 HydrophobicContact CB-CD2 4.05Å; A709-L784 HydrophobicContact CB-CD1 3.71Å
710	S	95.8	Very high	95	Very high	23 Å²	23	35.5 Å²	35.5	16%	0.161	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	128.9	169.4	-173.6	0	0	0	0	109.2	I698	I698-S710 WeakPolarHBondContact O-CA 3.24Å
711	Y	95.6	Very high	94.8	Very high	38 Å²	38	38.7 Å²	38.7	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	148.3	179.5	54.9	-89.9	0	0	0	111.7	I698 W700 A709 I713 Y724 P726	I698-Y711 HydrophobicContact CB-CD2 4.09Å; I698-Y711 HydrophobicContact CB-CE1 4.23Å; I698-Y711 HydrophobicContact CB-CE2 3.57Å; I698-Y711 HydrophobicContact CG1-CD2 4.29Å; I698-Y711 HydrophobicContact CG1-CE2 3.71Å; I698-Y711 HydrophobicContact CG2-CE1 4.26Å; I698-Y711 HydrophobicContact CG2-CE2 4.09Å; I698-Y711 WeakPolarHBondContact CG2-OH 3.17Å; I698-Y711 PolarHBondContact N-O 2.97Å; I698-Y711 PolarHBondContact O-N 3.14Å; W700-Y711 AromaticContact CD1-CE1 3.73Å; W700-Y711 AromaticContact NE1-CE1 3.45Å; W700-Y711 AromaticContact NE1-CZ 3.63Å; W700-Y711 PolarHBondContact NE1-OH 3.36Å; A709-Y711 HydrophobicContact CB-CD1 4.47Å; Y711-I713 HydrophobicContact CD2-CG2 3.95Å; Y711-I713 HydrophobicContact CE2-CG2 3.95Å; Y711-Y724 HydrophobicContact CD1-CD1 4.13Å; Y711-Y724 HydrophobicContact CD1-CE1 4.09Å; Y711-Y724 HydrophobicContact CD2-CD1 4.14Å; Y711-Y724 AromaticContact CE1-CD1 3.62Å; Y711-Y724 HydrophobicContact CE1-CD1 3.62Å; Y711-Y724 AromaticContact CE1-CE1 3.96Å; Y711-Y724 HydrophobicContact CE1-CE1 3.96Å; Y711-Y724 AromaticContact CE2-CD1 3.62Å; Y711-Y724 HydrophobicContact CE2-CD1 3.62Å; Y711-Y724 HydrophobicContact CE2-CE1 4.41Å; Y711-Y724 AromaticContact CE2-CG 3.93Å; Y711-Y724 HydrophobicContact CE2-CG 3.93Å; Y711-Y724 HydrophobicContact CG-CD1 4.38Å; Y711-Y724 HydrophobicContact CG-CE1 4.38Å; Y711-Y724 AromaticContact CZ-CD1 3.35Å; Y711-P726 HydrophobicContact CE1-CB 4.48Å
712	D	95.6	Very high	94.8	Very high	105 Å²	105	39.7 Å²	39.7	56%	0.561	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	146.2	173.8	-74.6	-24.4	0	0	0	111.7	T695 A696 T697	T695-D712 HydrophobicContact CG2-CB 3.88Å; A696-D712 WeakPolarHBondContact O-CA 3.46Å; T697-D712 VanDerWaalsContact CA-OD1 3.3Å; T697-D712 WeakPolarHBondContact CA-OD1 3.46Å; T697-D712 WeakPolarHBondContact CB-OD1 3.16Å; T697-D712 WeakPolarHBondContact CG2-OD1 3.12Å; T697-D712 PolarHBondContact OG1-OD1 3.12Å
713	I	95.6	Very high	94.6	Very high	23 Å²	23	44.4 Å²	44.4	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.3	170.5	58.9	169.3	0	0	0	110.7	Q686 W688 T695 A696 I698 Y711 V715 T722	Q686-I713 HydrophobicContact CG-CD1 4.41Å; W688-I713 HydrophobicContact CZ2-CD1 4.07Å; T695-I713 WeakPolarHBondContact CA-O 3.44Å; A696-I713 HydrophobicContact CB-CG1 4.05Å; A696-I713 PolarHBondContact N-O 3.29Å; A696-I713 WeakPolarHBondContact O-CG1 3.5Å; A696-I713 PolarHBondContact O-N 2.94Å; I698-I713 HydrophobicContact CD1-CD1 3.85Å; I698-I713 HydrophobicContact CD1-CG1 4.26Å; I698-I713 HydrophobicContact CG1-CD1 3.96Å; I698-I713 HydrophobicContact CG1-CG1 4.07Å; I698-I713 HydrophobicContact CG1-CG2 4.31Å; Y711-I713 HydrophobicContact CD2-CG2 3.95Å; Y711-I713 HydrophobicContact CE2-CG2 3.95Å; I713-V715 HydrophobicContact CD1-CG2 4.31Å; I713-V715 HydrophobicContact CG1-CG2 4.37Å; I713-T722 WeakPolarHBondContact CD1-OG1 3.49Å
714	G	94.9	Very high	94.5	Very high	57 Å²	57	47.9 Å²	47.9	59%	0.588	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	136.5	166.7	0	0	0	0	0	110.7
715	V	93.9	Very high	94.5	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	92.9	-178.5	-172.1	0	0	0	0	109.4	R652 W688 N693 L694 I713 A719 T722	R652-V715 PolarHBondContact NH1-O 3.32Å; W688-V715 HydrophobicContact CB-CG1 4.35Å; W688-V715 HydrophobicContact CD2-CG1 3.58Å; W688-V715 HydrophobicContact CD2-CG2 4.34Å; W688-V715 HydrophobicContact CE3-CG1 4Å; W688-V715 HydrophobicContact CG-CG1 3.72Å; W688-V715 HydrophobicContact CH2-CG2 3.96Å; W688-V715 HydrophobicContact CZ2-CG1 4.38Å; W688-V715 HydrophobicContact CZ2-CG2 3.6Å; W688-V715 HydrophobicContact CZ3-CG2 4.46Å; N693-V715 WeakPolarHBondContact CA-O 3.42Å; L694-V715 HydrophobicContact CD1-CB 3.73Å; L694-V715 HydrophobicContact CD1-CG2 3.64Å; L694-V715 HydrophobicContact CG-CB 4.1Å; L694-V715 PolarHBondContact N-O 3.12Å; L694-V715 PolarHBondContact O-N 2.9Å; I713-V715 HydrophobicContact CD1-CG2 4.31Å; I713-V715 HydrophobicContact CG1-CG2 4.37Å; V715-A719 HydrophobicContact CG1-CB 4.07Å; V715-T722 HydrophobicContact CG2-CG2 4.44Å
716	D	93.5	Very high	94.5	Very high	95 Å²	95	50.6 Å²	50.6	51%	0.508	27%	0.267	S	S	.	.			trans	-61	163	-179.1	-75.8	-48.1	0	0	0	113.9	R652 N693 D718 A719	R652-D716 PolarHBondContact NH1-O 2.9Å; R652-D716 PolarHBondContact NH2-O 3.05Å; N693-D716 PolarHBondContact ND2-OD1 3.09Å; N693-D716 WeakPolarHBondContact OD1-CA 3.2Å; D716-D718 VanDerWaalsContact C-N 3.3Å; D716-D718 PolarHBondContact O-N 2.69Å; D716-A719 HydrophobicContact CB-CB 4.33Å; D716-A719 WeakPolarHBondContact O-CB 3.45Å; D716-A719 PolarHBondContact O-N 3.17Å; D716-A719 VanDerWaalsContact O-N 3.1Å
717	V	92.8	Very high	94.6	Very high	58 Å²	58	54.8 Å²	54.8	35%	0.352	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-47.1	-176.6	170.8	0	0	0	0	112.8	R652 R690 G691 N693	R652-V717 PolarHBondContact NH2-O 2.85Å; R690-V717 VanDerWaalsContact CA-O 3.31Å; R690-V717 WeakPolarHBondContact CA-O 3.38Å; R690-V717 HydrophobicContact CG-CG1 4.17Å; R690-V717 VanDerWaalsContact CG-O 3.24Å; R690-V717 WeakPolarHBondContact CG-O 3.3Å; G691-V717 PolarHBondContact N-O 3.45Å; G691-V717 VanDerWaalsContact O-CA 3.22Å; G691-V717 WeakPolarHBondContact O-CA 3.41Å; G691-V717 WeakPolarHBondContact O-CG1 3.46Å; N693-V717 WeakPolarHBondContact OD1-CG2 3.02Å; N693-V717 PolarHBondContact OD1-N 2.83Å
718	D	92.5	Very high	94.6	Very high	126 Å²	126	55.1 Å²	55.1	67%	0.674	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	12.2	-177.9	64.4	-38.6	0	0	0	113.8	D716 E720	D716-D718 VanDerWaalsContact C-N 3.3Å; D716-D718 PolarHBondContact O-N 2.69Å; D718-E720 PolarHBondContact O-N 3.26Å
719	A	92.1	Very high	94.6	Very high	20 Å²	20	58.7 Å²	58.7	17%	0.165	31%	0.312	C	S	.	.			trans	-64.7	117.3	169.1	0	0	0	0	0	110.2	R652 W688 V715 D716	R652-A719 PolarHBondContact NH2-O 3.15Å; W688-A719 WeakPolarHBondContact CB-O 3.22Å; V715-A719 HydrophobicContact CG1-CB 4.07Å; D716-A719 HydrophobicContact CB-CB 4.33Å; D716-A719 WeakPolarHBondContact O-CB 3.45Å; D716-A719 PolarHBondContact O-N 3.17Å; D716-A719 VanDerWaalsContact O-N 3.1Å
720	E	93.6	Very high	94.6	Very high	100 Å²	100	63.9 Å²	63.9	47%	0.467	33%	0.332	S	S	.	.			trans	-94.9	-28.7	174.6	-61.9	175.7	133.2	0	0	112.1	R667 W688 D718	R667-E720 IonicContact CZ-OE2 3.65Å; R667-E720 IonicContact NH1-OE2 3.88Å; R667-E720 PolarHBondContact NH1-OE2 2.78Å; R667-E720 IonicContact NH2-OE2 3.66Å; R667-E720 PolarHBondContact NH2-OE2 2.89Å; W688-E720 PolarHBondContact N-O 3.11Å; D718-E720 PolarHBondContact O-N 3.26Å
721	Y	95.2	Very high	94.6	Very high	68 Å²	68	63.2 Å²	63.2	27%	0.267	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	136.1	-179.6	-72.6	-93.8	0	0	0	109.9	W662 R667 V685 Q686 K687	W662-Y721 AromaticContact CH2-CD1 3.95Å; W662-Y721 HydrophobicContact CH2-CD1 3.95Å; W662-Y721 HydrophobicContact CH2-CE1 4.17Å; W662-Y721 HydrophobicContact CZ2-CD1 4.46Å; R667-Y721 HydrophobicContact CB-CD2 4.36Å; R667-Y721 HydrophobicContact CB-CE1 4.36Å; R667-Y721 HydrophobicContact CB-CE2 4.13Å; R667-Y721 HydrophobicContact CG-CD2 4.29Å; R667-Y721 HydrophobicContact CG-CE2 4.41Å; V685-Y721 HydrophobicContact CG1-CD1 3.9Å; V685-Y721 HydrophobicContact CG1-CE1 4.5Å; Q686-Y721 VanDerWaalsContact O-CA 3.31Å; Q686-Y721 WeakPolarHBondContact O-CA 3.22Å; K687-Y721 HydrophobicContact CB-CD1 4.2Å; K687-Y721 HydrophobicContact CB-CE1 3.95Å; K687-Y721 HydrophobicContact CD-CE1 3.97Å; K687-Y721 VanDerWaalsContact CE-OH 3.29Å; K687-Y721 WeakPolarHBondContact CE-OH 3.42Å; K687-Y721 HydrophobicContact CG-CD1 4.28Å; K687-Y721 HydrophobicContact CG-CE1 3.79Å; K687-Y721 HydrophobicContact CG-CE2 4.36Å; K687-Y721 PolarHBondContact NZ-OH 2.96Å
722	T	95.3	Very high	94.8	Very high	23 Å²	23	61.4 Å²	61.4	14%	0.141	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150.6	162.4	54.2	0	0	0	0	109.1	V685 Q686 W688 I713 V715	V685-T722 WeakPolarHBondContact CA-O 3.34Å; Q686-T722 PolarHBondContact N-O 2.9Å; Q686-T722 PolarHBondContact O-N 2.85Å; Q686-T722 PolarHBondContact OE1-O 2.91Å; Q686-T722 PolarHBondContact OE1-OG1 2.69Å; W688-T722 PolarHBondContact NE1-OG1 2.89Å; I713-T722 WeakPolarHBondContact CD1-OG1 3.49Å; V715-T722 HydrophobicContact CG2-CG2 4.44Å
723	Q	93.9	Very high	94.9	Very high	101 Å²	101	56.6 Å²	56.6	47%	0.472	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.6	178.4	69.6	81.1	32.5	0	0	110	V683 A684 V685	V683-Q723 HydrophobicContact CG1-CB 4.27Å; A684-Q723 WeakPolarHBondContact O-CA 3.48Å; V685-Q723 HydrophobicContact CG2-CB 3.83Å
724	Y	94.2	Very high	95	Very high	102 Å²	102	55.8 Å²	55.8	40%	0.4	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.8	170.2	-173.8	-103.2	0	0	0	110.8	V683 A684 Y711 P726	V683-Y724 WeakPolarHBondContact CG1-O 3.24Å; A684-Y724 PolarHBondContact N-O 2.88Å; A684-Y724 VanDerWaalsContact N-O 3.12Å; A684-Y724 PolarHBondContact O-N 3.26Å; Y711-Y724 HydrophobicContact CD1-CD1 4.13Å; Y711-Y724 HydrophobicContact CD1-CE1 4.09Å; Y711-Y724 HydrophobicContact CD2-CD1 4.14Å; Y711-Y724 AromaticContact CE1-CD1 3.62Å; Y711-Y724 HydrophobicContact CE1-CD1 3.62Å; Y711-Y724 AromaticContact CE1-CE1 3.96Å; Y711-Y724 HydrophobicContact CE1-CE1 3.96Å; Y711-Y724 AromaticContact CE2-CD1 3.62Å; Y711-Y724 HydrophobicContact CE2-CD1 3.62Å; Y711-Y724 HydrophobicContact CE2-CE1 4.41Å; Y711-Y724 AromaticContact CE2-CG 3.93Å; Y711-Y724 HydrophobicContact CE2-CG 3.93Å; Y711-Y724 HydrophobicContact CG-CD1 4.38Å; Y711-Y724 HydrophobicContact CG-CE1 4.38Å; Y711-Y724 AromaticContact CZ-CD1 3.35Å; Y724-P726 HydrophobicContact CD1-CB 4.29Å; Y724-P726 HydrophobicContact CE1-CB 3.97Å
725	K	94.4	Very high	95.1	Very high	98 Å²	98	53.2 Å²	53.2	43%	0.426	26%	0.264	S	S	.	.			trans	-110.6	97.8	175.5	-170.9	-177.7	73.5	164.7	0	108	E681 V683	E681-K725 HydrophobicContact CB-CD 3.92Å; E681-K725 HydrophobicContact CB-CG 4.43Å; E681-K725 WeakPolarHBondContact OE2-CE 3.43Å; E681-K725 IonicContact OE2-NZ 3.94Å; E681-K725 PolarHBondContact OE2-NZ 3.46Å; V683-K725 HydrophobicContact CG1-CB 4.34Å; V683-K725 HydrophobicContact CG2-CB 4.01Å; V683-K725 HydrophobicContact CG2-CD 4.12Å; V683-K725 HydrophobicContact CG2-CG 3.96Å
726	P	94.3	Very high	95.3	Very high	7 Å²	7	54.4 Å²	54.4	5%	0.045	27%	0.273	C	S	.	.			trans	-64.1	141.1	178.2	26.2	-33.2	0	0	0	110.8	W700 A709 Y711 Y724 L728	W700-P726 HydrophobicContact CD2-CG 4.1Å; W700-P726 HydrophobicContact CH2-CG 4.2Å; W700-P726 HydrophobicContact CZ2-CG 3.65Å; A709-P726 HydrophobicContact CB-CB 4.17Å; Y711-P726 HydrophobicContact CE1-CB 4.48Å; Y724-P726 HydrophobicContact CD1-CB 4.29Å; Y724-P726 HydrophobicContact CE1-CB 3.97Å; P726-L728 HydrophobicContact CB-CD2 3.9Å; P726-L728 HydrophobicContact CB-CG 4.01Å; P726-L728 HydrophobicContact CG-CD1 4.06Å; P726-L728 HydrophobicContact CG-CD2 4.09Å; P726-L728 HydrophobicContact CG-CG 3.86Å; P726-L728 PolarHBondContact O-N 2.66Å
727	P	95.4	Very high	95.5	Very high	93 Å²	93	49.9 Å²	49.9	60%	0.604	25%	0.249	S	C	*	.			trans	-79.8	60.2	-179	33.4	-35	0	0	0	111.2	L784	P727-L784 HydrophobicContact CG-CD2 3.84Å; P727-L784 WeakPolarHBondContact O-CD2 3.4Å
728	L	95.9	Very high	95.7	Very high	16 Å²	16	48 Å²	48	8%	0.084	24%	0.238	C	C	.	.			trans	-66.1	132.3	-176	-55.9	177.1	0	0	0	111.2	W700 A708 A709 P726 L732 W737 Y783	W700-L728 HydrophobicContact CE3-CD1 4.41Å; A708-L728 HydrophobicContact CB-CD2 4.24Å; A709-L728 HydrophobicContact CB-CD2 4.05Å; P726-L728 HydrophobicContact CB-CD2 3.9Å; P726-L728 HydrophobicContact CB-CG 4.01Å; P726-L728 HydrophobicContact CG-CD1 4.06Å; P726-L728 HydrophobicContact CG-CD2 4.09Å; P726-L728 HydrophobicContact CG-CG 3.86Å; P726-L728 PolarHBondContact O-N 2.66Å; L728-L732 HydrophobicContact CB-CD2 3.86Å; L728-L732 HydrophobicContact CD1-CD2 3.94Å; L728-W737 HydrophobicContact CD1-CH2 4.33Å; L728-W737 HydrophobicContact CD1-CZ3 4.25Å; L728-Y783 CarbonylContact C-O 3.55Å; L728-Y783 WeakPolarHBondContact CA-O 3.2Å; L728-Y783 HydrophobicContact CB-CD1 4.46Å
729	Q	96.1	Very high	95.9	Very high	77 Å²	77	42 Å²	42	36%	0.36	21%	0.206	S	C	.	.			trans	-62.1	151.7	168.6	-64.1	-165.3	23.3	0	0	111.2	P778 L782 Y783	Q729-P778 HydrophobicContact CB-CB 3.92Å; Q729-L782 PolarHBondContact OE1-O 3.05Å; Q729-Y783 PolarHBondContact N-O 3.44Å
730	R	95.4	Very high	96.1	Very high	110 Å²	110	43.2 Å²	43.2	42%	0.415	21%	0.206	S	C	.	.	S	Bend	trans	-119.8	157	-173.2	-81.7	174	-74.4	-154.3	-14.1	111.7	L679 E681	L679-R730 WeakPolarHBondContact O-CD 3.31Å; L679-R730 PolarHBondContact O-NH1 3.21Å; E681-R730 IonicContact OE1-CZ 3.99Å; E681-R730 IonicContact OE1-NH1 3.47Å; E681-R730 PolarHBondContact OE1-NH1 3.39Å; E681-R730 IonicContact OE1-NH2 2.66Å; E681-R730 PolarHBondContact OE1-NH2 2.92Å
731	P	97.4	Very high	96.2	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.058	18%	0.184	C	C	.	.	S	Bend	cis	-73.4	148.6	-2.1	27.8	-31.3	0	0	0	113.1	P678 L679 W773 G777 P778	P678-P731 HydrophobicContact CB-CB 3.81Å; P678-P731 CarbonylContact O-C 3.51Å; P678-P731 WeakPolarHBondContact O-CA 3.43Å; L679-P731 HydrophobicContact CD2-CB 4.15Å; P731-W773 HydrophobicContact CG-CE3 4.03Å; P731-W773 HydrophobicContact CG-CZ3 4.31Å; P731-W773 WeakPolarHBondContact CG-O 3.27Å; P731-G777 CarbonylContact O-C 3.59Å; P731-G777 VanDerWaalsContact O-CA 3.25Å; P731-G777 WeakPolarHBondContact O-CA 3.27Å; P731-P778 WeakPolarHBondContact O-CD 3.47Å; P731-P778 VanDerWaalsContact O-N 3.09Å
732	L	98.3	Very high	96	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-68	130.3	169.5	-59.7	-178.7	0	0	0	109.4	P678 D680 P682 L728 P734 W737 V755 Y783	P678-L732 WeakPolarHBondContact CB-O 3.1Å; P678-L732 PolarHBondContact O-N 3.43Å; D680-L732 WeakPolarHBondContact O-CD1 3.24Å; P682-L732 HydrophobicContact CG-CD1 3.89Å; L728-L732 HydrophobicContact CB-CD2 3.86Å; L728-L732 HydrophobicContact CD1-CD2 3.94Å; L732-P734 WeakPolarHBondContact O-CD 3.41Å; L732-W737 HydrophobicContact CB-CZ2 3.95Å; L732-W737 HydrophobicContact CD2-CH2 4.01Å; L732-W737 HydrophobicContact CD2-CZ2 4.01Å; L732-W737 HydrophobicContact CG-CZ2 4.46Å; L732-V755 HydrophobicContact CB-CG1 3.93Å; L732-V755 HydrophobicContact CB-CG2 4.16Å; L732-V755 HydrophobicContact CD1-CG2 4.17Å; L732-Y783 HydrophobicContact CD2-CD1 4.12Å; L732-Y783 HydrophobicContact CD2-CE1 3.94Å
733	R	97.9	Very high	95.7	Very high	4 Å²	4	38 Å²	38	2%	0.015	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-58.7	125.7	178.9	178.5	163.3	-69.9	127.4	-1.5	111.1	D702 P703 W737 A776 N781 Y783 A807	D702-R733 WeakPolarHBondContact OD2-CD 3.43Å; D702-R733 IonicContact OD2-CZ 3.65Å; D702-R733 IonicContact OD2-NE 2.66Å; D702-R733 IonicContact OD2-NH1 2.74Å; D702-R733 PolarHBondContact OD2-NH1 2.69Å; P703-R733 HydrophobicContact CG-CG 4.37Å; R733-W737 PolarHBondContact O-NE1 2.96Å; R733-A776 PolarHBondContact NE-O 2.8Å; R733-A776 PolarHBondContact NH2-O 2.86Å; R733-N781 PolarHBondContact NH2-OD1 2.04Å; R733-Y783 WeakPolarHBondContact CB-OH 3.31Å; R733-Y783 PolarHBondContact N-OH 2.8Å; R733-A807 HydrophobicContact CG-CB 4.49Å
734	P	98.1	Very high	95.4	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.039	19%	0.194	C	C	.	.	S	Bend	trans	-67.5	145.3	179.2	-18.6	30.7	0	0	0	113.2	P678 L732 V755 P757 H775 W821	P678-P734 HydrophobicContact CG-CG 4.19Å; L732-P734 WeakPolarHBondContact O-CD 3.41Å; P734-V755 CarbonylContact C-O 3.56Å; P734-V755 VanDerWaalsContact CA-O 3.25Å; P734-V755 WeakPolarHBondContact CA-O 3.09Å; P734-P757 HydrophobicContact CB-CB 3.75Å; P734-P757 HydrophobicContact CB-CG 4.27Å; P734-P757 HydrophobicContact CG-CB 4.23Å; P734-H775 WeakPolarHBondContact CD-O 3.36Å; P734-H775 HydrophobicContact CG-CB 3.95Å; P734-W821 HydrophobicContact CB-CH2 3.84Å; P734-W821 HydrophobicContact CB-CZ2 3.96Å; P734-W821 HydrophobicContact CG-CH2 4.13Å
735	G	97.4	Very high	95.2	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.6	-167.6	179.8	0	0	0	0	0	113.2	W737 V755	G735-W737 PolarHBondContact O-N 3.4Å; G735-V755 PolarHBondContact N-O 2.83Å; G735-V755 PolarHBondContact O-N 2.91Å; G735-V755 VanDerWaalsContact O-N 3.1Å
736	A	97	Very high	94.9	Very high	26 Å²	26	42.3 Å²	42.3	22%	0.215	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	105.1	176.8	0	0	0	0	0	111	F829	A736-F829 HydrophobicContact CB-CE2 3.75Å; A736-F829 HydrophobicContact CB-CZ 3.62Å
737	W	97.9	Very high	94.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	158.7	168.7	-79.2	68.2	0	0	0	111.1	W700 D702 P703 A708 L728 L732 R733 G735 R752 F753 V755 Y783	W700-W737 HydrophobicContact CE3-CE3 4.49Å; D702-W737 HydrophobicContact CB-CD2 4.19Å; D702-W737 HydrophobicContact CB-CE3 4.19Å; D702-W737 HydrophobicContact CB-CH2 3.79Å; D702-W737 HydrophobicContact CB-CZ2 3.75Å; D702-W737 HydrophobicContact CB-CZ3 4.01Å; P703-W737 HydrophobicContact CG-CG 4.45Å; A708-W737 HydrophobicContact CB-CH2 3.94Å; A708-W737 HydrophobicContact CB-CZ3 3.64Å; L728-W737 HydrophobicContact CD1-CH2 4.33Å; L728-W737 HydrophobicContact CD1-CZ3 4.25Å; L732-W737 HydrophobicContact CB-CZ2 3.95Å; L732-W737 HydrophobicContact CD2-CH2 4.01Å; L732-W737 HydrophobicContact CD2-CZ2 4.01Å; L732-W737 HydrophobicContact CG-CZ2 4.46Å; R733-W737 PolarHBondContact O-NE1 2.96Å; G735-W737 PolarHBondContact O-N 3.4Å; W737-R752 CarbonylContact O-C 3.53Å; W737-R752 WeakPolarHBondContact O-CA 3.43Å; W737-R752 WeakPolarHBondContact O-CB 3.3Å; W737-F753 HydrophobicContact CB-CD1 3.67Å; W737-F753 HydrophobicContact CB-CD2 4.26Å; W737-F753 HydrophobicContact CB-CE1 3.27Å; W737-F753 HydrophobicContact CB-CE2 3.93Å; W737-F753 HydrophobicContact CB-CG 4.15Å; W737-F753 HydrophobicContact CB-CZ 3.41Å; W737-F753 VanDerWaalsContact CB-CZ 3.41Å; W737-F753 HydrophobicContact CD2-CE1 4.4Å; W737-F753 AromaticContact CD2-CZ 3.86Å; W737-F753 HydrophobicContact CD2-CZ 3.86Å; W737-F753 HydrophobicContact CE3-CE1 4.34Å; W737-F753 AromaticContact CE3-CZ 3.97Å; W737-F753 HydrophobicContact CE3-CZ 3.97Å; W737-F753 HydrophobicContact CG-CE1 4.03Å; W737-F753 HydrophobicContact CG-CE2 4.07Å; W737-F753 AromaticContact CG-CZ 3.65Å; W737-F753 HydrophobicContact CG-CZ 3.65Å; W737-F753 PolarHBondContact N-O 3.48Å; W737-F753 PolarHBondContact O-N 2.88Å; W737-V755 HydrophobicContact CD2-CG2 4.48Å; W737-V755 HydrophobicContact CG-CG2 4.11Å; W737-Y783 AromaticContact CH2-CD1 3.91Å; W737-Y783 HydrophobicContact CH2-CD1 3.91Å; W737-Y783 AromaticContact CH2-CE1 3.44Å; W737-Y783 HydrophobicContact CH2-CE1 3.44Å; W737-Y783 VanDerWaalsContact CH2-CE1 3.44Å; W737-Y783 HydrophobicContact CH2-CE2 4.11Å; W737-Y783 HydrophobicContact CH2-CG 4.43Å; W737-Y783 AromaticContact CH2-CZ 3.54Å; W737-Y783 AromaticContact CZ2-CE1 3.67Å; W737-Y783 HydrophobicContact CZ2-CE1 3.67Å; W737-Y783 AromaticContact CZ2-CZ 3.66Å; W737-Y783 WeakPolarHBondContact CZ2-OH 3.33Å
738	T	97.5	Very high	94.5	Very high	19 Å²	19	41.6 Å²	41.6	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.7	-179.4	-57.5	0	0	0	0	110.4	I701 R740 E750 R752	I701-T738 PolarHBondContact N-O 3Å; I701-T738 PolarHBondContact O-N 3.25Å; T738-R740 HydrophobicContact CG2-CG 4.28Å; T738-E750 VanDerWaalsContact CG2-CD 3.44Å; T738-E750 HydrophobicContact CG2-CG 3.34Å; T738-R752 HydrophobicContact CG2-CG 4.3Å
739	V	97.5	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.7	168.1	-179.4	0	0	0	0	109	L656 V658 A684 I698 V699 W700 E750 A751 F753	L656-V739 HydrophobicContact CD1-CG1 4.45Å; V658-V739 HydrophobicContact CG2-CB 4.14Å; V658-V739 HydrophobicContact CG2-CG2 3.73Å; A684-V739 HydrophobicContact CB-CG1 4.26Å; I698-V739 HydrophobicContact CG2-CG1 3.76Å; V699-V739 CarbonylContact O-C 3.59Å; V699-V739 WeakPolarHBondContact O-CA 3.44Å; W700-V739 HydrophobicContact CD2-CG2 3.58Å; W700-V739 HydrophobicContact CE3-CG2 3.53Å; W700-V739 HydrophobicContact CG-CG2 4.11Å; W700-V739 HydrophobicContact CH2-CG2 4.34Å; W700-V739 HydrophobicContact CZ2-CG2 4.38Å; W700-V739 HydrophobicContact CZ3-CG2 3.92Å; V739-E750 CarbonylContact O-C 3.58Å; V739-E750 WeakPolarHBondContact O-CA 3.25Å; V739-A751 PolarHBondContact N-O 3.23Å; V739-A751 PolarHBondContact O-N 3.08Å; V739-F753 HydrophobicContact CG2-CD1 4.34Å; V739-F753 HydrophobicContact CG2-CE1 3.93Å
740	R	95.8	Very high	94.2	Very high	44 Å²	44	38.1 Å²	38.1	17%	0.166	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.7	175.6	-69.5	-179.3	171.8	171.4	-1.4	110.8	I698 V699 I701 T738 L742 A749 E750 L795	I698-R740 WeakPolarHBondContact CA-O 3.42Å; V699-R740 PolarHBondContact N-O 3.21Å; V699-R740 PolarHBondContact O-N 2.94Å; I701-R740 HydrophobicContact CD1-CG 4.35Å; T738-R740 HydrophobicContact CG2-CG 4.28Å; R740-L742 HydrophobicContact CB-CD2 3.84Å; R740-L742 HydrophobicContact CB-CG 4.37Å; R740-A749 WeakPolarHBondContact CA-O 3.36Å; R740-E750 HydrophobicContact CG-CG 4.11Å; R740-E750 IonicContact CZ-OE2 3.3Å; R740-E750 VanDerWaalsContact CZ-OE2 3.25Å; R740-E750 IonicContact NE-OE2 2.75Å; R740-E750 PolarHBondContact NE-OE2 3.49Å; R740-E750 IonicContact NH2-OE2 2.64Å; R740-E750 PolarHBondContact NH2-OE2 3.35Å; R740-L795 PolarHBondContact NH1-O 3.34Å
741	V	94.4	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.5	161.1	180	0	0	0	0	107.1	F650 L653 L656 Q686 A696 I698 V748 A749	F650-V741 HydrophobicContact CE1-CG1 4.15Å; L653-V741 HydrophobicContact CD2-CB 4.25Å; L653-V741 HydrophobicContact CD2-CG1 4.13Å; L653-V741 HydrophobicContact CD2-CG2 4.23Å; L656-V741 HydrophobicContact CD1-CG2 3.96Å; L656-V741 HydrophobicContact CD2-CG2 3.77Å; L656-V741 HydrophobicContact CG-CG2 4.39Å; Q686-V741 HydrophobicContact CG-CG2 4.39Å; A696-V741 HydrophobicContact CB-CG1 4.06Å; I698-V741 HydrophobicContact CD1-CB 4.39Å; I698-V741 HydrophobicContact CD1-CG1 4.33Å; I698-V741 HydrophobicContact CD1-CG2 3.78Å; V741-V748 HydrophobicContact CG1-CB 4.28Å; V741-V748 WeakPolarHBondContact O-CB 3.21Å; V741-V748 PolarHBondContact O-N 3.34Å; V741-A749 HydrophobicContact CB-CB 4.25Å; V741-A749 HydrophobicContact CG2-CB 4.5Å; V741-A749 PolarHBondContact N-O 3.11Å; V741-A749 PolarHBondContact O-N 3.42Å
742	L	92.7	Very high	94.2	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	159.7	179.8	-43.2	175.2	0	0	0	111.1	A696 T697 V699 R740 W745 E746 R747 L795	A696-L742 WeakPolarHBondContact CA-O 2.98Å; T697-L742 PolarHBondContact N-O 2.85Å; T697-L742 PolarHBondContact O-N 2.04Å; V699-L742 HydrophobicContact CG2-CD1 3.6Å; V699-L742 HydrophobicContact CG2-CG 4.3Å; R740-L742 HydrophobicContact CB-CD2 3.84Å; R740-L742 HydrophobicContact CB-CG 4.37Å; L742-W745 HydrophobicContact CD1-CE3 4.17Å; L742-E746 CarbonylContact C-O 3.42Å; L742-E746 WeakPolarHBondContact CA-O 3.45Å; L742-E746 WeakPolarHBondContact CB-O 3.45Å; L742-R747 HydrophobicContact CD2-CB 4.1Å; L742-R747 HydrophobicContact CD2-CG 4.29Å; L742-L795 HydrophobicContact CD1-CD2 3.45Å; L742-L795 VanDerWaalsContact CD1-CD2 3.45Å
743	R	88.3	Confident	94.2	Very high	78 Å²	78	38 Å²	38	29%	0.294	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124.9	168.1	-175.1	-152.7	-167	-172.6	5.4	108.3	E649 F650 W745 E746 V748	E649-R743 IonicContact OE2-CZ 3.49Å; E649-R743 IonicContact OE2-NH1 2.69Å; E649-R743 PolarHBondContact OE2-NH1 2.74Å; E649-R743 IonicContact OE2-NH2 3.15Å; E649-R743 PolarHBondContact OE2-NH2 2.66Å; F650-R743 HydrophobicContact CD2-CB 4.22Å; F650-R743 HydrophobicContact CD2-CG 4.23Å; F650-R743 HydrophobicContact CE2-CB 3.62Å; F650-R743 HydrophobicContact CE2-CG 3.55Å; F650-R743 HydrophobicContact CZ-CB 4.05Å; F650-R743 HydrophobicContact CZ-CG 4.31Å; R743-W745 PolarHBondContact O-N 2.92Å; R743-W745 VanDerWaalsContact O-N 3.12Å; R743-E746 PolarHBondContact N-O 2.81Å; R743-E746 WeakPolarHBondContact O-CB 3.47Å; R743-E746 PolarHBondContact O-N 3.16Å; R743-V748 HydrophobicContact CB-CG2 3.95Å
744	L	87.4	Confident	94.2	Very high	148 Å²	148	38.3 Å²	38.3	78%	0.775	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	36.4	-176.9	-57.8	173	0	0	0	112.4	E746	L744-E746 PolarHBondContact O-N 2.96Å
745	W	89.1	Confident	94.2	Very high	121 Å²	121	38 Å²	38	46%	0.458	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	-2.5	-173.4	-50.9	101.4	0	0	0	117.3	T697 L742 R743 L791 V794	T697-W745 HydrophobicContact CG2-CZ3 4.42Å; L742-W745 HydrophobicContact CD1-CE3 4.17Å; R743-W745 PolarHBondContact O-N 2.92Å; R743-W745 VanDerWaalsContact O-N 3.12Å; W745-L791 HydrophobicContact CH2-CD1 4.44Å; W745-L791 HydrophobicContact CH2-CD2 3.7Å; W745-L791 HydrophobicContact CZ3-CD1 4.34Å; W745-L791 HydrophobicContact CZ3-CD2 3.85Å; W745-V794 HydrophobicContact CB-CG1 3.89Å; W745-V794 HydrophobicContact CD2-CG1 3.81Å; W745-V794 HydrophobicContact CE3-CG1 3.82Å; W745-V794 HydrophobicContact CG-CG1 3.84Å
746	E	88.4	Confident	94.1	Very high	124 Å²	124	38 Å²	38	58%	0.579	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77	141.3	167.9	-58.8	-166.5	141.2	0	0	111	L742 R743 L744	L742-E746 CarbonylContact C-O 3.42Å; L742-E746 WeakPolarHBondContact CA-O 3.45Å; L742-E746 WeakPolarHBondContact CB-O 3.45Å; R743-E746 PolarHBondContact N-O 2.81Å; R743-E746 WeakPolarHBondContact O-CB 3.47Å; R743-E746 PolarHBondContact O-N 3.16Å; L744-E746 PolarHBondContact O-N 2.96Å
747	R	90.4	Very high	94.1	Very high	83 Å²	83	36.7 Å²	36.7	31%	0.313	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.7	177	-170.9	171.4	73.8	164.2	2.2	110	E644 L647 L742 E750	E644-R747 HydrophobicContact CG-CG 4.44Å; E644-R747 IonicContact OE1-CZ 2.77Å; E644-R747 IonicContact OE1-NE 2.76Å; E644-R747 PolarHBondContact OE1-NE 2.9Å; E644-R747 IonicContact OE1-NH2 3.44Å; E644-R747 PolarHBondContact OE1-NH2 3.04Å; L647-R747 WeakPolarHBondContact CD1-O 3.24Å; L742-R747 HydrophobicContact CD2-CB 4.1Å; L742-R747 HydrophobicContact CD2-CG 4.29Å; R747-E750 IonicContact CZ-OE2 2.96Å; R747-E750 VanDerWaalsContact NH1-CD 3.26Å; R747-E750 IonicContact NH1-OE1 2.71Å; R747-E750 IonicContact NH1-OE2 3.92Å; R747-E750 PolarHBondContact NH1-OE2 3.46Å
748	V	90.8	Very high	94.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-48.4	173.3	-171.5	0	0	0	0	111	L643 E644 L647 F650 L653 V741 R743	L643-V748 HydrophobicContact CD1-CG1 4.49Å; E644-V748 WeakPolarHBondContact CB-O 3.06Å; E644-V748 WeakPolarHBondContact CG-O 3.42Å; E644-V748 PolarHBondContact N-O 3.28Å; L647-V748 HydrophobicContact CD1-CB 4.1Å; L647-V748 HydrophobicContact CD1-CG1 4.08Å; L647-V748 HydrophobicContact CD1-CG2 3.84Å; F650-V748 HydrophobicContact CB-CG1 3.65Å; F650-V748 HydrophobicContact CD1-CB 4.25Å; F650-V748 HydrophobicContact CD1-CG1 3.46Å; F650-V748 VanDerWaalsContact CD1-CG1 3.46Å; F650-V748 HydrophobicContact CD1-CG2 4.05Å; F650-V748 HydrophobicContact CD2-CG2 4.41Å; F650-V748 HydrophobicContact CE1-CG1 4.2Å; F650-V748 HydrophobicContact CE1-CG2 4.13Å; F650-V748 HydrophobicContact CG-CG1 3.7Å; F650-V748 HydrophobicContact CG-CG2 4.12Å; F650-V748 HydrophobicContact CZ-CG2 4.36Å; L653-V748 HydrophobicContact CD2-CG1 4.25Å; V741-V748 HydrophobicContact CG1-CB 4.28Å; V741-V748 WeakPolarHBondContact O-CB 3.21Å; V741-V748 PolarHBondContact O-N 3.34Å; R743-V748 HydrophobicContact CB-CG2 3.95Å
749	A	92.8	Very high	94.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.7	-179.4	0	0	0	0	0	110.4	M641 Q642 L643 L653 L656 R740 V741	M641-A749 HydrophobicContact CE-CB 3.99Å; Q642-A749 CarbonylContact O-C 3.57Å; Q642-A749 VanDerWaalsContact O-CA 3.25Å; Q642-A749 WeakPolarHBondContact O-CA 3.34Å; L643-A749 HydrophobicContact CD1-CB 4.05Å; L653-A749 HydrophobicContact CD2-CB 3.63Å; L656-A749 HydrophobicContact CD2-CB 4.29Å; R740-A749 WeakPolarHBondContact CA-O 3.36Å; V741-A749 HydrophobicContact CB-CB 4.25Å; V741-A749 HydrophobicContact CG2-CB 4.5Å; V741-A749 PolarHBondContact N-O 3.11Å; V741-A749 PolarHBondContact O-N 3.42Å
750	E	94.3	Very high	94	Very high	19 Å²	19	37.5 Å²	37.5	9%	0.089	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.2	174.4	-169	167	110	0	0	108.4	M641 Q642 T738 V739 R740 R747	M641-E750 CarbonylContact C-O 3.53Å; M641-E750 WeakPolarHBondContact CA-O 3.07Å; Q642-E750 PolarHBondContact N-O 2.95Å; Q642-E750 PolarHBondContact O-N 3.4Å; T738-E750 VanDerWaalsContact CG2-CD 3.44Å; T738-E750 HydrophobicContact CG2-CG 3.34Å; V739-E750 CarbonylContact O-C 3.58Å; V739-E750 WeakPolarHBondContact O-CA 3.25Å; R740-E750 HydrophobicContact CG-CG 4.11Å; R740-E750 IonicContact CZ-OE2 3.3Å; R740-E750 VanDerWaalsContact CZ-OE2 3.25Å; R740-E750 IonicContact NE-OE2 2.75Å; R740-E750 PolarHBondContact NE-OE2 3.49Å; R740-E750 IonicContact NH2-OE2 2.64Å; R740-E750 PolarHBondContact NH2-OE2 3.35Å; R747-E750 IonicContact CZ-OE2 2.96Å; R747-E750 VanDerWaalsContact NH1-CD 3.26Å; R747-E750 IonicContact NH1-OE1 2.71Å; R747-E750 IonicContact NH1-OE2 3.92Å; R747-E750 PolarHBondContact NH1-OE2 3.46Å
751	A	95.4	Very high	93.9	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.6	168.7	0	0	0	0	0	108.6	L656 V739	L656-A751 HydrophobicContact CB-CB 4.33Å; L656-A751 HydrophobicContact CD2-CB 3.66Å; L656-A751 HydrophobicContact CG-CB 3.69Å; V739-A751 PolarHBondContact N-O 3.23Å; V739-A751 PolarHBondContact O-N 3.08Å
752	R	96.8	Very high	93.9	Very high	103 Å²	103	41.1 Å²	41.1	39%	0.389	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.1	178.5	-64.2	173	64	-149.5	-1	109.9	T640 W737 T738 F829	T640-R752 WeakPolarHBondContact CB-O 3.17Å; T640-R752 WeakPolarHBondContact CG2-O 3.48Å; T640-R752 PolarHBondContact OG1-O 3.13Å; W737-R752 CarbonylContact O-C 3.53Å; W737-R752 WeakPolarHBondContact O-CA 3.43Å; W737-R752 WeakPolarHBondContact O-CB 3.3Å; T738-R752 HydrophobicContact CG2-CG 4.3Å; R752-F829 HydrophobicContact CB-CE1 4.11Å; R752-F829 HydrophobicContact CB-CZ 4.39Å
753	F	97.3	Very high	93.8	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.8	175.5	73.1	-82.5	0	0	0	110.7	V658 I676 P682 W700 W737 V739 V755 F829	V658-F753 HydrophobicContact CB-CB 4.18Å; V658-F753 HydrophobicContact CB-CD1 3.84Å; V658-F753 HydrophobicContact CB-CE1 4.42Å; V658-F753 HydrophobicContact CB-CG 4.02Å; V658-F753 HydrophobicContact CG1-CB 4.45Å; V658-F753 HydrophobicContact CG1-CD1 3.63Å; V658-F753 HydrophobicContact CG1-CD2 4.12Å; V658-F753 HydrophobicContact CG1-CE1 3.77Å; V658-F753 HydrophobicContact CG1-CE2 4.24Å; V658-F753 HydrophobicContact CG1-CG 3.82Å; V658-F753 HydrophobicContact CG1-CZ 4.09Å; V658-F753 HydrophobicContact CG2-CD1 4Å; V658-F753 HydrophobicContact CG2-CE1 4.45Å; I676-F753 HydrophobicContact CD1-CD2 3.91Å; I676-F753 HydrophobicContact CD1-CE2 4.42Å; P682-F753 HydrophobicContact CB-CE2 4.14Å; P682-F753 HydrophobicContact CB-CZ 4.34Å; P682-F753 HydrophobicContact CG-CE2 4.2Å; P682-F753 HydrophobicContact CG-CZ 4.2Å; W700-F753 AromaticContact CE3-CE1 3.94Å; W700-F753 HydrophobicContact CE3-CE1 3.94Å; W700-F753 HydrophobicContact CE3-CZ 4.03Å; W700-F753 AromaticContact CZ3-CE1 3.72Å; W700-F753 HydrophobicContact CZ3-CE1 3.72Å; W700-F753 AromaticContact CZ3-CZ 3.66Å; W700-F753 HydrophobicContact CZ3-CZ 3.66Å; W737-F753 HydrophobicContact CB-CD1 3.67Å; W737-F753 HydrophobicContact CB-CD2 4.26Å; W737-F753 HydrophobicContact CB-CE1 3.27Å; W737-F753 HydrophobicContact CB-CE2 3.93Å; W737-F753 HydrophobicContact CB-CG 4.15Å; W737-F753 HydrophobicContact CB-CZ 3.41Å; W737-F753 VanDerWaalsContact CB-CZ 3.41Å; W737-F753 HydrophobicContact CD2-CE1 4.4Å; W737-F753 AromaticContact CD2-CZ 3.86Å; W737-F753 HydrophobicContact CD2-CZ 3.86Å; W737-F753 HydrophobicContact CE3-CE1 4.34Å; W737-F753 AromaticContact CE3-CZ 3.97Å; W737-F753 HydrophobicContact CE3-CZ 3.97Å; W737-F753 HydrophobicContact CG-CE1 4.03Å; W737-F753 HydrophobicContact CG-CE2 4.07Å; W737-F753 AromaticContact CG-CZ 3.65Å; W737-F753 HydrophobicContact CG-CZ 3.65Å; W737-F753 PolarHBondContact N-O 3.48Å; W737-F753 PolarHBondContact O-N 2.88Å; V739-F753 HydrophobicContact CG2-CD1 4.34Å; V739-F753 HydrophobicContact CG2-CE1 3.93Å; F753-V755 HydrophobicContact CD2-CG2 4.33Å; F753-V755 HydrophobicContact CE2-CG2 3.68Å; F753-V755 HydrophobicContact CZ-CG2 4.49Å; F753-F829 WeakPolarHBondContact O-CZ 3.39Å
754	L	97.9	Very high	94	Very high	11 Å²	11	48 Å²	48	6%	0.058	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.4	-177.2	176.2	53.2	0	0	0	110.2	M756 T825 V826 F829	L754-M756 HydrophobicContact CD2-CE 4.21Å; L754-M756 HydrophobicContact CD2-CG 4.48Å; L754-M756 HydrophobicContact CG-CB 4.29Å; L754-T825 HydrophobicContact CD1-CG2 3.44Å; L754-T825 VanDerWaalsContact CD1-CG2 3.44Å; L754-V826 HydrophobicContact CD2-CB 4.5Å; L754-V826 HydrophobicContact CD2-CG2 4Å; L754-F829 HydrophobicContact CB-CD1 4.24Å; L754-F829 HydrophobicContact CB-CD2 3.85Å; L754-F829 HydrophobicContact CB-CE1 4.3Å; L754-F829 HydrophobicContact CB-CE2 3.91Å; L754-F829 HydrophobicContact CB-CG 4.02Å; L754-F829 HydrophobicContact CB-CZ 4.14Å; L754-F829 HydrophobicContact CD1-CD2 4.41Å; L754-F829 HydrophobicContact CD1-CE2 4.22Å; L754-F829 HydrophobicContact CD2-CD2 4.06Å; L754-F829 HydrophobicContact CD2-CG 4.46Å; L754-F829 HydrophobicContact CG-CD2 4.33Å; L754-F829 HydrophobicContact CG-CE2 4.49Å
755	V	98.4	Very high	94.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	106.2	156.2	176	0	0	0	0	106.5	I676 P678 L732 P734 G735 W737 F753	I676-V755 HydrophobicContact CG2-CG2 4.1Å; P678-V755 HydrophobicContact CG-CG1 4.41Å; L732-V755 HydrophobicContact CB-CG1 3.93Å; L732-V755 HydrophobicContact CB-CG2 4.16Å; L732-V755 HydrophobicContact CD1-CG2 4.17Å; P734-V755 CarbonylContact C-O 3.56Å; P734-V755 VanDerWaalsContact CA-O 3.25Å; P734-V755 WeakPolarHBondContact CA-O 3.09Å; G735-V755 PolarHBondContact N-O 2.83Å; G735-V755 PolarHBondContact O-N 2.91Å; G735-V755 VanDerWaalsContact O-N 3.1Å; W737-V755 HydrophobicContact CD2-CG2 4.48Å; W737-V755 HydrophobicContact CG-CG2 4.11Å; F753-V755 HydrophobicContact CD2-CG2 4.33Å; F753-V755 HydrophobicContact CE2-CG2 3.68Å; F753-V755 HydrophobicContact CZ-CG2 4.49Å
756	M	96.7	Very high	94.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-75.6	130.4	-171.3	-161.5	176.7	-57.1	0	0	110.9	T568 A569 V675 I676 P678 L754 L758 V826	T568-M756 HydrophobicContact CG2-CG 4.49Å; T568-M756 HydrophobicContact CG2-SD 4.01Å; A569-M756 VanDerWaalsContact CA-SD 3.56Å; A569-M756 HydrophobicContact CB-CE 3.56Å; A569-M756 HydrophobicContact CB-SD 3.74Å; V675-M756 HydrophobicContact CG1-CE 4.49Å; I676-M756 WeakPolarHBondContact O-CB 3.33Å; I676-M756 PolarHBondContact O-N 2.96Å; P678-M756 WeakPolarHBondContact CD-O 3.3Å; L754-M756 HydrophobicContact CD2-CE 4.21Å; L754-M756 HydrophobicContact CD2-CG 4.48Å; L754-M756 HydrophobicContact CG-CB 4.29Å; M756-L758 PolarHBondContact O-N 2.81Å; M756-V826 HydrophobicContact CE-CG2 3.82Å; M756-V826 HydrophobicContact CG-CG2 4.05Å; M756-V826 HydrophobicContact SD-CG2 3.76Å
757	P	97.2	Very high	94.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-64.7	133.9	166.6	25.3	-29.6	0	0	0	108.4	T568 P734 L818 W821 V822	T568-P757 WeakPolarHBondContact CG2-O 3.26Å; P734-P757 HydrophobicContact CB-CB 3.75Å; P734-P757 HydrophobicContact CB-CG 4.27Å; P734-P757 HydrophobicContact CG-CB 4.23Å; P757-L818 HydrophobicContact CB-CD1 4.42Å; P757-W821 HydrophobicContact CB-CD2 4.27Å; P757-W821 HydrophobicContact CB-CE3 3.93Å; P757-W821 HydrophobicContact CB-CH2 3.67Å; P757-W821 HydrophobicContact CB-CZ2 3.99Å; P757-W821 HydrophobicContact CB-CZ3 3.62Å; P757-W821 HydrophobicContact CG-CD2 4.03Å; P757-W821 HydrophobicContact CG-CE3 4.19Å; P757-W821 HydrophobicContact CG-CH2 4.2Å; P757-W821 HydrophobicContact CG-CZ2 4Å; P757-W821 HydrophobicContact CG-CZ3 4.27Å; P757-V822 HydrophobicContact CB-CG2 4.38Å; P757-V822 HydrophobicContact CG-CG2 3.97Å; P757-V822 WeakPolarHBondContact O-CG2 3.47Å
758	L	97.3	Very high	94.5	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.047	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-82.8	135.4	-178.7	-53.9	-174.9	0	0	0	110.7	D564 V565 P678 M756 F760 L766 H775	D564-L758 HydrophobicContact CB-CD1 4.32Å; V565-L758 HydrophobicContact CB-CD2 4.2Å; V565-L758 HydrophobicContact CG1-CD2 4.24Å; V565-L758 HydrophobicContact CG2-CD2 4Å; P678-L758 HydrophobicContact CG-CG 4.16Å; M756-L758 PolarHBondContact O-N 2.81Å; L758-F760 WeakPolarHBondContact CB-O 3.34Å; L758-L766 HydrophobicContact CB-CD1 4.48Å; L758-L766 WeakPolarHBondContact O-CD1 3.14Å; L758-H775 PolarHBondContact N-NE2 2.99Å; L758-H775 VanDerWaalsContact N-NE2 3.15Å; L758-H775 PolarHBondContact O-CE1 3.18Å; L758-H775 VanDerWaalsContact O-CE1 3.23Å; L758-H775 PolarHBondContact O-NE2 2.59Å
759	A	96.5	Very high	94.1	Very high	9 Å²	9	49 Å²	49	7%	0.074	24%	0.236	C	C	.	.	S	Bend	trans	-87.5	-16.3	169.4	0	0	0	0	0	112.5	T568 L766	T568-A759 HydrophobicContact CG2-CB 3.87Å; T568-A759 PolarHBondContact OG1-N 2.98Å; A759-L766 PolarHBondContact O-N 3.36Å
760	F	95.4	Very high	93.8	Very high	18 Å²	18	54 Å²	54	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.8	-175	-54.4	-79.2	0	0	0	111.5	L567 Y598 L758 E764	L567-F760 HydrophobicContact CB-CD2 4.25Å; L567-F760 HydrophobicContact CD2-CB 4.34Å; L567-F760 HydrophobicContact CD2-CD1 4.28Å; L567-F760 HydrophobicContact CD2-CD2 3.87Å; L567-F760 HydrophobicContact CD2-CE2 4.25Å; L567-F760 HydrophobicContact CD2-CG 3.9Å; L567-F760 HydrophobicContact CG-CD2 3.76Å; L567-F760 HydrophobicContact CG-CE2 3.88Å; L567-F760 HydrophobicContact CG-CG 4.32Å; Y598-F760 AromaticContact CE1-CE1 3.87Å; Y598-F760 HydrophobicContact CE1-CE1 3.87Å; Y598-F760 AromaticContact CE1-CZ 3.86Å; Y598-F760 HydrophobicContact CE1-CZ 3.86Å; L758-F760 WeakPolarHBondContact CB-O 3.34Å; F760-E764 CarbonylContact C-O 3.56Å; F760-E764 WeakPolarHBondContact CA-O 3.05Å; F760-E764 WeakPolarHBondContact CB-O 3.5Å
761	K	94.9	Very high	93.6	Very high	71 Å²	71	53.2 Å²	53.2	31%	0.309	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	122.6	169.2	179.8	-166.3	175	-174.2	0	108	R763 E764 E770 D771 L774	K761-R763 PolarHBondContact O-N 3.08Å; K761-E764 PolarHBondContact N-O 2.88Å; K761-E764 PolarHBondContact O-N 2.86Å; K761-E770 PolarHBondContact NZ-O 3.36Å; K761-D771 HydrophobicContact CD-CB 4.1Å; K761-D771 WeakPolarHBondContact CD-OD1 3.4Å; K761-D771 WeakPolarHBondContact CE-OD1 3.32Å; K761-D771 IonicContact NZ-OD1 2.68Å; K761-D771 PolarHBondContact NZ-OD1 2.86Å; K761-L774 HydrophobicContact CB-CD1 4.38Å; K761-L774 HydrophobicContact CD-CD1 3.92Å; K761-L774 HydrophobicContact CG-CD1 4.13Å
762	G	93	Very high	93.2	Very high	49 Å²	49	54.1 Å²	54.1	51%	0.505	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	21.6	-172.1	0	0	0	0	0	113.3	D564 E764	D564-G762 VanDerWaalsContact CG-N 3.33Å; D564-G762 PolarHBondContact OD1-N 3.31Å; D564-G762 PolarHBondContact OD2-N 3.49Å; G762-E764 PolarHBondContact O-N 3.4Å
763	R	91.6	Very high	93.1	Very high	97 Å²	97	55.2 Å²	55.2	37%	0.366	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	-3.7	-175.8	-58.7	71	169.6	-176.9	4.9	115.2	G560 L562 D564 L567 K761	G560-R763 PolarHBondContact O-NH2 2.97Å; L562-R763 VanDerWaalsContact O-CZ 3.3Å; L562-R763 PolarHBondContact O-NE 2.84Å; L562-R763 PolarHBondContact O-NH2 3.28Å; D564-R763 WeakPolarHBondContact OD1-CA 3.05Å; D564-R763 PolarHBondContact OD1-N 3.18Å; L567-R763 HydrophobicContact CD2-CB 4.16Å; L567-R763 HydrophobicContact CD2-CG 4.19Å; K761-R763 PolarHBondContact O-N 3.08Å
764	E	92.5	Very high	93	Very high	128 Å²	128	54.9 Å²	54.9	60%	0.598	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	155.6	168	-68.3	-59.9	157.2	0	0	111.6	F760 K761 G762	F760-E764 CarbonylContact C-O 3.56Å; F760-E764 WeakPolarHBondContact CA-O 3.05Å; F760-E764 WeakPolarHBondContact CB-O 3.5Å; K761-E764 PolarHBondContact N-O 2.88Å; K761-E764 PolarHBondContact O-N 2.86Å; G762-E764 PolarHBondContact O-N 3.4Å
765	P	94.3	Very high	92.9	Very high	75 Å²	75	54.4 Å²	54.4	49%	0.487	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	140	175.2	-22.9	34.2	0	0	0	112.8
766	L	94	Very high	92.7	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.052	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-65.9	131.3	-175.1	-166.1	147.4	0	0	0	112.9	L758 A759 D771 L774 V814 L818	L758-L766 HydrophobicContact CB-CD1 4.48Å; L758-L766 WeakPolarHBondContact O-CD1 3.14Å; A759-L766 PolarHBondContact O-N 3.36Å; L766-D771 HydrophobicContact CD1-CB 4.12Å; L766-D771 HydrophobicContact CD2-CB 3.59Å; L766-D771 HydrophobicContact CG-CB 3.49Å; L766-D771 VanDerWaalsContact CG-CB 3.49Å; L766-L774 HydrophobicContact CD1-CD1 4.23Å; L766-V814 HydrophobicContact CD2-CG1 3.87Å; L766-V814 WeakPolarHBondContact O-CG1 3.39Å; L766-L818 HydrophobicContact CB-CD2 4.06Å; L766-L818 HydrophobicContact CD2-CD2 4.33Å
767	R	92.4	Very high	92.6	Very high	131 Å²	131	56.8 Å²	56.8	49%	0.494	28%	0.283	S	S	.	.			trans	-111.7	129.7	-173.6	-66.3	-179.1	-69.1	130	11.8	112.1	E769 E770 D771	R767-E769 PolarHBondContact O-N 2.85Å; R767-E770 IonicContact CZ-OE1 3.32Å; R767-E770 VanDerWaalsContact CZ-OE1 3.3Å; R767-E770 IonicContact CZ-OE2 2.96Å; R767-E770 IonicContact NH1-OE1 3.05Å; R767-E770 PolarHBondContact NH1-OE1 3.38Å; R767-E770 IonicContact NH1-OE2 2.73Å; R767-E770 IonicContact NH2-OE1 3.39Å; R767-E770 PolarHBondContact NH2-OE1 3.39Å; R767-E770 IonicContact NH2-OE2 3Å; R767-E770 PolarHBondContact NH2-OE2 3.12Å; R767-E770 PolarHBondContact O-N 3.39Å; R767-D771 PolarHBondContact N-OD2 3.36Å; R767-D771 WeakPolarHBondContact O-CB 3.47Å; R767-D771 PolarHBondContact O-N 3.3Å
768	Q	85.8	Confident	92.5	Very high	89 Å²	89	57 Å²	57	42%	0.416	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-43.8	-163.4	-169.5	178.7	-8.5	0	0	113.9	S772 V814	Q768-S772 VanDerWaalsContact O-CB 3.24Å; Q768-S772 WeakPolarHBondContact O-CB 3.49Å; Q768-S772 PolarHBondContact O-N 2.99Å; Q768-S772 PolarHBondContact O-OG 3.25Å; Q768-V814 HydrophobicContact CB-CG1 3.81Å; Q768-V814 HydrophobicContact CB-CG2 4.35Å; Q768-V814 HydrophobicContact CG-CG1 4.48Å
769	E	82	Confident	92.2	Very high	195 Å²	195	61 Å²	61	91%	0.911	31%	0.31	S	S	*	.	H	α-helix	trans	-70.4	-32.6	-175.5	-61.6	179.1	173.8	0	0	113.3	R767	R767-E769 PolarHBondContact O-N 2.85Å
770	E	85.2	Confident	91.7	Very high	103 Å²	103	63.7 Å²	63.7	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-100	-20.6	-175	-70.8	-177.1	-140.1	0	0	114.2	K761 R767 W773	K761-E770 PolarHBondContact NZ-O 3.36Å; R767-E770 IonicContact CZ-OE1 3.32Å; R767-E770 VanDerWaalsContact CZ-OE1 3.3Å; R767-E770 IonicContact CZ-OE2 2.96Å; R767-E770 IonicContact NH1-OE1 3.05Å; R767-E770 PolarHBondContact NH1-OE1 3.38Å; R767-E770 IonicContact NH1-OE2 2.73Å; R767-E770 IonicContact NH2-OE1 3.39Å; R767-E770 PolarHBondContact NH2-OE1 3.39Å; R767-E770 IonicContact NH2-OE2 3Å; R767-E770 PolarHBondContact NH2-OE2 3.12Å; R767-E770 PolarHBondContact O-N 3.39Å; E770-W773 PolarHBondContact O-NE1 3.02Å
771	D	90.2	Very high	91.4	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-126.1	-14.9	-161	-52.8	-21.4	0	0	0	114.7	K761 L766 R767 W773 L774	K761-D771 HydrophobicContact CD-CB 4.1Å; K761-D771 WeakPolarHBondContact CD-OD1 3.4Å; K761-D771 WeakPolarHBondContact CE-OD1 3.32Å; K761-D771 IonicContact NZ-OD1 2.68Å; K761-D771 PolarHBondContact NZ-OD1 2.86Å; L766-D771 HydrophobicContact CD1-CB 4.12Å; L766-D771 HydrophobicContact CD2-CB 3.59Å; L766-D771 HydrophobicContact CG-CB 3.49Å; L766-D771 VanDerWaalsContact CG-CB 3.49Å; R767-D771 PolarHBondContact N-OD2 3.36Å; R767-D771 WeakPolarHBondContact O-CB 3.47Å; R767-D771 PolarHBondContact O-N 3.3Å; D771-W773 PolarHBondContact O-N 3.36Å; D771-L774 HydrophobicContact CB-CD1 4.4Å; D771-L774 VanDerWaalsContact O-CB 3.3Å; D771-L774 WeakPolarHBondContact O-CB 3.46Å; D771-L774 PolarHBondContact O-N 3.42Å
772	S	88.6	Confident	91.2	Very high	23 Å²	23	66 Å²	66	16%	0.161	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.5	-177.1	50.3	0	0	0	0	114.2	Q768 L774 H775 A776 A811	Q768-S772 VanDerWaalsContact O-CB 3.24Å; Q768-S772 WeakPolarHBondContact O-CB 3.49Å; Q768-S772 PolarHBondContact O-N 2.99Å; Q768-S772 PolarHBondContact O-OG 3.25Å; S772-L774 PolarHBondContact O-N 3.41Å; S772-H775 PolarHBondContact O-N 3.41Å; S772-H775 VanDerWaalsContact O-N 3.17Å; S772-A776 PolarHBondContact O-N 2.78Å; S772-A811 WeakPolarHBondContact CB-O 3.36Å
773	W	93.4	Very high	91.3	Very high	125 Å²	125	63.9 Å²	63.9	47%	0.473	33%	0.332	S	S	.	.	H	α-helix	trans	-57.2	-32.8	172.2	68.4	-92.1	0	0	0	113.1	L679 P731 E770 D771 H775 A776	L679-W773 HydrophobicContact CD2-CH2 4.42Å; L679-W773 HydrophobicContact CD2-CZ3 4.2Å; P731-W773 HydrophobicContact CG-CE3 4.03Å; P731-W773 HydrophobicContact CG-CZ3 4.31Å; P731-W773 WeakPolarHBondContact CG-O 3.27Å; E770-W773 PolarHBondContact O-NE1 3.02Å; D771-W773 PolarHBondContact O-N 3.36Å; W773-H775 PolarHBondContact O-N 2.86Å; W773-H775 VanDerWaalsContact O-N 3.11Å; W773-A776 PolarHBondContact O-N 3.04Å
774	L	94.9	Very high	91.3	Very high	4 Å²	4	61 Å²	61	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-58.7	-25.2	179	-75.5	169	0	0	0	113	P678 L679 K761 L766 D771 S772	P678-L774 VanDerWaalsContact CB-O 3.27Å; P678-L774 WeakPolarHBondContact CB-O 3.15Å; L679-L774 HydrophobicContact CD1-CD2 4.01Å; L679-L774 HydrophobicContact CD2-CD2 4.14Å; L679-L774 HydrophobicContact CG-CD2 4.13Å; K761-L774 HydrophobicContact CB-CD1 4.38Å; K761-L774 HydrophobicContact CD-CD1 3.92Å; K761-L774 HydrophobicContact CG-CD1 4.13Å; L766-L774 HydrophobicContact CD1-CD1 4.23Å; D771-L774 HydrophobicContact CB-CD1 4.4Å; D771-L774 VanDerWaalsContact O-CB 3.3Å; D771-L774 WeakPolarHBondContact O-CB 3.46Å; D771-L774 PolarHBondContact O-N 3.42Å; S772-L774 PolarHBondContact O-N 3.41Å
775	H	96.9	Very high	91	Very high	2 Å²	2	64 Å²	64	1%	0.009	34%	0.338	C	S	.	.	H	α-helix	trans	-107.5	-9	-177.4	-61.2	168.6	0	0	0	113.3	P734 L758 S772 W773 G777 A811 W821	P734-H775 WeakPolarHBondContact CD-O 3.36Å; P734-H775 HydrophobicContact CG-CB 3.95Å; L758-H775 PolarHBondContact N-NE2 2.99Å; L758-H775 VanDerWaalsContact N-NE2 3.15Å; L758-H775 PolarHBondContact O-CE1 3.18Å; L758-H775 VanDerWaalsContact O-CE1 3.23Å; L758-H775 PolarHBondContact O-NE2 2.59Å; S772-H775 PolarHBondContact O-N 3.41Å; S772-H775 VanDerWaalsContact O-N 3.17Å; W773-H775 PolarHBondContact O-N 2.86Å; W773-H775 VanDerWaalsContact O-N 3.11Å; H775-G777 VanDerWaalsContact C-N 3.32Å; H775-G777 PolarHBondContact O-N 2.89Å; H775-A811 HydrophobicContact CB-CB 3.84Å; H775-W821 HydrophobicContact CB-CH2 4.39Å; H775-W821 HydrophobicContact CB-CZ3 4.39Å; H775-W821 AromaticContact ND1-CZ3 3.72Å
776	A	94.1	Very high	90.6	Very high	45 Å²	45	67 Å²	67	37%	0.372	35%	0.346	S	S	.	.	H	α-helix	trans	-67.2	-30.3	-176.8	0	0	0	0	0	113.6	R733 S772 W773	R733-A776 PolarHBondContact NE-O 2.8Å; R733-A776 PolarHBondContact NH2-O 2.86Å; S772-A776 PolarHBondContact O-N 2.78Å; W773-A776 PolarHBondContact O-N 3.04Å
777	G	95.4	Very high	89.9	Confident	6 Å²	6	68.9 Å²	68.9	6%	0.062	37%	0.367	C	S	.	.			trans	96.4	-174.6	-164.6	0	0	0	0	0	112	P731 H775	P731-G777 CarbonylContact O-C 3.59Å; P731-G777 VanDerWaalsContact O-CA 3.25Å; P731-G777 WeakPolarHBondContact O-CA 3.27Å; H775-G777 VanDerWaalsContact C-N 3.32Å; H775-G777 PolarHBondContact O-N 2.89Å
778	P	95	Very high	89.6	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.032	35%	0.349	C	S	.	.	S	Bend	trans	-73.9	156.1	-176.5	32.8	-38.4	0	0	0	111.6	Q729 P731 G780 N781 Y783	Q729-P778 HydrophobicContact CB-CB 3.92Å; P731-P778 WeakPolarHBondContact O-CD 3.47Å; P731-P778 VanDerWaalsContact O-N 3.09Å; P778-G780 PolarHBondContact O-N 3.03Å; P778-N781 PolarHBondContact O-N 2.91Å; P778-Y783 HydrophobicContact CB-CD1 4.45Å; P778-Y783 HydrophobicContact CB-CE1 4.48Å; P778-Y783 VanDerWaalsContact CD-CE1 3.43Å; P778-Y783 HydrophobicContact CG-CD1 3.66Å; P778-Y783 HydrophobicContact CG-CD2 4.21Å; P778-Y783 HydrophobicContact CG-CE1 3.52Å; P778-Y783 HydrophobicContact CG-CE2 4.12Å; P778-Y783 HydrophobicContact CG-CG 4Å
779	P	90.1	Very high	89.5	Confident	92 Å²	92	64.4 Å²	64.4	60%	0.597	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-49.8	134.2	174.2	-27.4	35.9	0	0	0	112.6	N781 L782	P779-N781 PolarHBondContact O-N 2.79Å; P779-L782 PolarHBondContact O-N 3.39Å
780	G	86.6	Confident	89.7	Confident	66 Å²	66	63.4 Å²	63.4	68%	0.68	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	64.2	7.4	-179.6	0	0	0	0	0	116	P778 L782	P778-G780 PolarHBondContact O-N 3.03Å; G780-L782 PolarHBondContact O-N 3.21Å
781	N	87.6	Confident	89.9	Confident	52 Å²	52	59.8 Å²	59.8	28%	0.278	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	63.8	19.8	-169.9	-50.7	-71.8	0	0	0	114.6	R733 P778 P779	R733-N781 PolarHBondContact NH2-OD1 2.04Å; P778-N781 PolarHBondContact O-N 2.91Å; P779-N781 PolarHBondContact O-N 2.79Å
782	L	91.1	Very high	89.9	Confident	86 Å²	86	61.5 Å²	61.5	45%	0.45	34%	0.336	S	S	.	.			trans	-99.5	112.1	-178.9	-67.1	174.9	0	0	0	110.8	Q729 P779 G780	Q729-L782 PolarHBondContact OE1-O 3.05Å; P779-L782 PolarHBondContact O-N 3.39Å; G780-L782 PolarHBondContact O-N 3.21Å
783	Y	94.9	Very high	89.8	Confident	5 Å²	5	65 Å²	65	2%	0.02	36%	0.361	C	S	.	.	S	Bend	trans	-82.1	-20.5	174.6	-70.3	-77.1	0	0	0	113.3	D702 T706 A708 L728 Q729 L732 R733 W737 P778	D702-Y783 HydrophobicContact CB-CE2 3.8Å; D702-Y783 WeakPolarHBondContact OD2-CE2 3.37Å; D702-Y783 PolarHBondContact OD2-OH 3.25Å; T706-Y783 HydrophobicContact CG2-CD2 4.44Å; T706-Y783 HydrophobicContact CG2-CE2 4.38Å; A708-Y783 HydrophobicContact CB-CD1 4.37Å; A708-Y783 HydrophobicContact CB-CD2 3.46Å; A708-Y783 VanDerWaalsContact CB-CD2 3.46Å; A708-Y783 HydrophobicContact CB-CE2 4.11Å; A708-Y783 HydrophobicContact CB-CG 3.61Å; L728-Y783 CarbonylContact C-O 3.55Å; L728-Y783 WeakPolarHBondContact CA-O 3.2Å; L728-Y783 HydrophobicContact CB-CD1 4.46Å; Q729-Y783 PolarHBondContact N-O 3.44Å; L732-Y783 HydrophobicContact CD2-CD1 4.12Å; L732-Y783 HydrophobicContact CD2-CE1 3.94Å; R733-Y783 WeakPolarHBondContact CB-OH 3.31Å; R733-Y783 PolarHBondContact N-OH 2.8Å; W737-Y783 AromaticContact CH2-CD1 3.91Å; W737-Y783 HydrophobicContact CH2-CD1 3.91Å; W737-Y783 AromaticContact CH2-CE1 3.44Å; W737-Y783 HydrophobicContact CH2-CE1 3.44Å; W737-Y783 VanDerWaalsContact CH2-CE1 3.44Å; W737-Y783 HydrophobicContact CH2-CE2 4.11Å; W737-Y783 HydrophobicContact CH2-CG 4.43Å; W737-Y783 AromaticContact CH2-CZ 3.54Å; W737-Y783 AromaticContact CZ2-CE1 3.67Å; W737-Y783 HydrophobicContact CZ2-CE1 3.67Å; W737-Y783 AromaticContact CZ2-CZ 3.66Å; W737-Y783 WeakPolarHBondContact CZ2-OH 3.33Å; P778-Y783 HydrophobicContact CB-CD1 4.45Å; P778-Y783 HydrophobicContact CB-CE1 4.48Å; P778-Y783 VanDerWaalsContact CD-CE1 3.43Å; P778-Y783 HydrophobicContact CG-CD1 3.66Å; P778-Y783 HydrophobicContact CG-CD2 4.21Å; P778-Y783 HydrophobicContact CG-CE1 3.52Å; P778-Y783 HydrophobicContact CG-CE2 4.12Å; P778-Y783 HydrophobicContact CG-CG 4Å
784	L	93.1	Very high	89.6	Confident	35 Å²	35	62.1 Å²	62.1	18%	0.183	36%	0.357	C	S	.	.	S	Bend	trans	-143.7	160	176.3	-68.6	175.4	0	0	0	108.2	A709 P727 Q786 F788	A709-L784 HydrophobicContact CB-CD1 3.71Å; P727-L784 HydrophobicContact CG-CD2 3.84Å; P727-L784 WeakPolarHBondContact O-CD2 3.4Å; L784-Q786 PolarHBondContact O-N 2.76Å; L784-F788 HydrophobicContact CB-CE2 4.42Å; L784-F788 HydrophobicContact CD1-CE2 3.87Å; L784-F788 HydrophobicContact CD1-CZ 4.44Å
785	E	86.3	Confident	89.4	Confident	192 Å²	192	62.5 Å²	62.5	90%	0.897	36%	0.359	S	S	*	.	S	Bend	trans	-61.3	-31.7	176	-61.3	-178.3	164.8	0	0	112.1
786	Q	84.1	Confident	89.1	Confident	139 Å²	139	71.4 Å²	71.4	65%	0.65	40%	0.398	S	S	*	.	S	Bend	trans	-83.7	119	173.6	-171.9	175.8	14.7	0	0	110.9	L784 F788	L784-Q786 PolarHBondContact O-N 2.76Å; Q786-F788 HydrophobicContact CB-CE2 4.28Å; Q786-F788 HydrophobicContact CB-CZ 4.21Å; Q786-F788 HydrophobicContact CG-CE1 4.37Å; Q786-F788 HydrophobicContact CG-CE2 4.46Å; Q786-F788 HydrophobicContact CG-CZ 4.09Å; Q786-F788 VanDerWaalsContact O-CD2 3.26Å; Q786-F788 WeakPolarHBondContact O-CD2 3.24Å; Q786-F788 WeakPolarHBondContact O-CE2 3.46Å
787	G	80.2	Confident	88.9	Confident	48 Å²	48	70.3 Å²	70.3	50%	0.495	39%	0.386	S	S	.	.			trans	-82.9	123	175.8	0	0	0	0	0	113.3	Q789	G787-Q789 PolarHBondContact O-N 2.95Å
788	F	86.3	Confident	88.8	Confident	26 Å²	26	73.4 Å²	73.4	11%	0.114	41%	0.405	C	S	.	.			trans	-93.2	19.8	-177.4	-64.1	-82	0	0	0	114.7	V707 L784 Q786 Q790 L791	V707-F788 HydrophobicContact CB-CB 3.76Å; V707-F788 HydrophobicContact CG1-CB 3.5Å; V707-F788 VanDerWaalsContact CG1-CB 3.5Å; V707-F788 HydrophobicContact CG1-CG 4.14Å; L784-F788 HydrophobicContact CB-CE2 4.42Å; L784-F788 HydrophobicContact CD1-CE2 3.87Å; L784-F788 HydrophobicContact CD1-CZ 4.44Å; Q786-F788 HydrophobicContact CB-CE2 4.28Å; Q786-F788 HydrophobicContact CB-CZ 4.21Å; Q786-F788 HydrophobicContact CG-CE1 4.37Å; Q786-F788 HydrophobicContact CG-CE2 4.46Å; Q786-F788 HydrophobicContact CG-CZ 4.09Å; Q786-F788 VanDerWaalsContact O-CD2 3.26Å; Q786-F788 WeakPolarHBondContact O-CD2 3.24Å; Q786-F788 WeakPolarHBondContact O-CE2 3.46Å; F788-Q790 PolarHBondContact O-N 3.08Å; F788-Q790 VanDerWaalsContact O-N 3.11Å; F788-L791 HydrophobicContact CB-CD1 4.26Å; F788-L791 HydrophobicContact CD1-CD1 3.89Å; F788-L791 WeakPolarHBondContact O-CB 3.3Å; F788-L791 PolarHBondContact O-N 2.74Å
789	Q	83.1	Confident	88.5	Confident	101 Å²	101	78.1 Å²	78.1	47%	0.472	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.2	-173	-67.9	-71.4	22.3	0	0	114.1	G787 L791 R792	G787-Q789 PolarHBondContact O-N 2.95Å; Q789-L791 VanDerWaalsContact C-N 3.25Å; Q789-L791 PolarHBondContact O-N 3.44Å; Q789-R792 VanDerWaalsContact O-CG 3.28Å; Q789-R792 WeakPolarHBondContact O-CG 3.45Å; Q789-R792 PolarHBondContact O-N 3.04Å
790	Q	86.6	Confident	88.6	Confident	173 Å²	173	75.4 Å²	75.4	81%	0.808	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.8	176.5	-63.9	179.3	1.5	0	0	113.1	F788 R792 S793	F788-Q790 PolarHBondContact O-N 3.08Å; F788-Q790 VanDerWaalsContact O-N 3.11Å; Q790-R792 VanDerWaalsContact C-N 3.27Å; Q790-R792 PolarHBondContact O-N 3.22Å; Q790-S793 PolarHBondContact O-OG 3.26Å
791	L	89.6	Confident	88.8	Confident	28 Å²	28	77.4 Å²	77.4	15%	0.147	41%	0.406	C	S	.	.	H	α-helix	trans	-74.2	-15.6	-179.4	-60.3	-176.2	0	0	0	113.1	V707 W745 F788 Q789 S793 V794 L795	V707-L791 HydrophobicContact CG1-CD1 4.49Å; W745-L791 HydrophobicContact CH2-CD1 4.44Å; W745-L791 HydrophobicContact CH2-CD2 3.7Å; W745-L791 HydrophobicContact CZ3-CD1 4.34Å; W745-L791 HydrophobicContact CZ3-CD2 3.85Å; F788-L791 HydrophobicContact CB-CD1 4.26Å; F788-L791 HydrophobicContact CD1-CD1 3.89Å; F788-L791 WeakPolarHBondContact O-CB 3.3Å; F788-L791 PolarHBondContact O-N 2.74Å; Q789-L791 VanDerWaalsContact C-N 3.25Å; Q789-L791 PolarHBondContact O-N 3.44Å; L791-S793 VanDerWaalsContact C-N 3.28Å; L791-S793 PolarHBondContact O-N 3.36Å; L791-V794 PolarHBondContact O-N 2.85Å; L791-L795 HydrophobicContact CB-CD1 3.78Å; L791-L795 HydrophobicContact CB-CG 4.3Å; L791-L795 VanDerWaalsContact O-CB 3.29Å; L791-L795 WeakPolarHBondContact O-CB 3.35Å; L791-L795 WeakPolarHBondContact O-CD1 3.34Å; L791-L795 WeakPolarHBondContact O-CG 3.4Å; L791-L795 PolarHBondContact O-N 2.8Å
792	R	90.3	Very high	89.1	Confident	38 Å²	38	79 Å²	79	14%	0.143	42%	0.42	C	S	.	.	H	α-helix	trans	-54.1	-42.6	-177.8	-66.7	-174.2	79.2	76.7	18.3	113.4	Q705 Q789 Q790 K796 L797 P798 Q800	Q705-R792 VanDerWaalsContact O-CZ 3.3Å; Q705-R792 PolarHBondContact O-NH1 3.02Å; Q705-R792 PolarHBondContact O-NH2 2.92Å; Q789-R792 VanDerWaalsContact O-CG 3.28Å; Q789-R792 WeakPolarHBondContact O-CG 3.45Å; Q789-R792 PolarHBondContact O-N 3.04Å; Q790-R792 VanDerWaalsContact C-N 3.27Å; Q790-R792 PolarHBondContact O-N 3.22Å; R792-K796 PolarHBondContact O-N 2.88Å; R792-K796 VanDerWaalsContact O-N 3.12Å; R792-L797 PolarHBondContact O-N 3.07Å; R792-P798 PolarHBondContact NH2-O 3.04Å; R792-Q800 VanDerWaalsContact NH1-OE1 3.14Å
793	S	86.6	Confident	89.2	Confident	96 Å²	96	76.1 Å²	76.1	67%	0.671	41%	0.408	S	S	*	.	H	α-helix	trans	-71.4	-44.9	-178.6	52.3	0	0	0	0	111.5	Q790 L791 L795 K796	Q790-S793 PolarHBondContact O-OG 3.26Å; L791-S793 VanDerWaalsContact C-N 3.28Å; L791-S793 PolarHBondContact O-N 3.36Å; S793-L795 VanDerWaalsContact C-N 3.32Å; S793-L795 PolarHBondContact O-N 3.44Å; S793-K796 PolarHBondContact O-N 2.94Å; S793-K796 VanDerWaalsContact O-N 3.15Å
794	V	89.1	Confident	89.1	Confident	66 Å²	66	76.8 Å²	76.8	40%	0.4	41%	0.412	S	S	.	.	H	α-helix	trans	-58	-45.9	175.2	-175.5	0	0	0	0	110.8	W745 L791 K796	W745-V794 HydrophobicContact CB-CG1 3.89Å; W745-V794 HydrophobicContact CD2-CG1 3.81Å; W745-V794 HydrophobicContact CE3-CG1 3.82Å; W745-V794 HydrophobicContact CG-CG1 3.84Å; L791-V794 PolarHBondContact O-N 2.85Å; V794-K796 VanDerWaalsContact C-N 3.25Å; V794-K796 PolarHBondContact O-N 3.44Å
795	L	90.6	Very high	89.2	Confident	12 Å²	12	79.4 Å²	79.4	6%	0.063	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.1	-179.4	-62.1	170.3	0	0	0	114.1	V699 V707 R740 L742 L791 S793 L797	V699-L795 HydrophobicContact CG1-CD1 3.82Å; V699-L795 HydrophobicContact CG2-CD2 4.42Å; V707-L795 HydrophobicContact CG2-CD1 3.86Å; R740-L795 PolarHBondContact NH1-O 3.34Å; L742-L795 HydrophobicContact CD1-CD2 3.45Å; L742-L795 VanDerWaalsContact CD1-CD2 3.45Å; L791-L795 HydrophobicContact CB-CD1 3.78Å; L791-L795 HydrophobicContact CB-CG 4.3Å; L791-L795 VanDerWaalsContact O-CB 3.29Å; L791-L795 WeakPolarHBondContact O-CB 3.35Å; L791-L795 WeakPolarHBondContact O-CD1 3.34Å; L791-L795 WeakPolarHBondContact O-CG 3.4Å; L791-L795 PolarHBondContact O-N 2.8Å; S793-L795 VanDerWaalsContact C-N 3.32Å; S793-L795 PolarHBondContact O-N 3.44Å; L795-L797 VanDerWaalsContact C-N 3.28Å; L795-L797 HydrophobicContact CB-CD1 4.4Å; L795-L797 HydrophobicContact CB-CD2 4Å; L795-L797 HydrophobicContact CB-CG 3.84Å; L795-L797 HydrophobicContact CD1-CD1 4.42Å; L795-L797 PolarHBondContact O-N 3.32Å
796	K	90.9	Very high	89.6	Confident	188 Å²	188	74.7 Å²	74.7	82%	0.817	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	44	-179.4	-57.3	174.8	-174.1	172.5	0	112.8	R792 S793 V794	R792-K796 PolarHBondContact O-N 2.88Å; R792-K796 VanDerWaalsContact O-N 3.12Å; S793-K796 PolarHBondContact O-N 2.94Å; S793-K796 VanDerWaalsContact O-N 3.15Å; V794-K796 VanDerWaalsContact C-N 3.25Å; V794-K796 PolarHBondContact O-N 3.44Å
797	L	90.8	Very high	90.1	Very high	22 Å²	22	68.8 Å²	68.8	12%	0.115	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-75	149.3	-177.8	-58.7	-174.9	0	0	0	112	I701 V707 R792 L795	I701-L797 HydrophobicContact CD1-CD1 4.45Å; I701-L797 HydrophobicContact CD1-CD2 3.82Å; I701-L797 HydrophobicContact CG1-CD1 4.49Å; I701-L797 HydrophobicContact CG2-CD1 4.31Å; V707-L797 HydrophobicContact CG2-CD1 3.64Å; R792-L797 PolarHBondContact O-N 3.07Å; L795-L797 VanDerWaalsContact C-N 3.28Å; L795-L797 HydrophobicContact CB-CD1 4.4Å; L795-L797 HydrophobicContact CB-CD2 4Å; L795-L797 HydrophobicContact CB-CG 3.84Å; L795-L797 HydrophobicContact CD1-CD1 4.42Å; L795-L797 PolarHBondContact O-N 3.32Å
798	P	92.1	Very high	90.7	Very high	72 Å²	72	71.6 Å²	71.6	47%	0.468	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-58.1	164.9	172.5	-23.3	33.6	0	0	0	113.7	Q705 R792 Q800	Q705-P798 HydrophobicContact CG-CB 4.4Å; R792-P798 PolarHBondContact NH2-O 3.04Å; P798-Q800 PolarHBondContact O-N 3.31Å
799	P	89.9	Confident	91.1	Very high	104 Å²	104	77 Å²	77	68%	0.675	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-53.4	135.4	170.5	-25.2	35.2	0	0	0	111.9
800	Q	90.4	Very high	91.6	Very high	34 Å²	34	75 Å²	75	16%	0.159	39%	0.39	C	S	.	.	S	Bend	trans	-74.6	-40.5	-176.7	-154.4	175.7	-5.5	0	0	112.3	A704 T706 R792 P798 A803 L804	A704-Q800 WeakPolarHBondContact O-CG 3.18Å; T706-Q800 PolarHBondContact OG1-NE2 3.42Å; R792-Q800 VanDerWaalsContact NH1-OE1 3.14Å; P798-Q800 PolarHBondContact O-N 3.31Å; Q800-A803 PolarHBondContact O-N 3.16Å; Q800-A803 VanDerWaalsContact O-N 3.16Å; Q800-L804 PolarHBondContact O-N 3.25Å
801	E	91.3	Very high	92	Very high	109 Å²	109	67 Å²	67	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-56.5	-48.1	-164	-164.9	58.3	-149.5	0	0	114.5	A803 L804 Q805	E801-A803 VanDerWaalsContact C-N 3.33Å; E801-A803 PolarHBondContact O-N 3.09Å; E801-L804 PolarHBondContact O-N 3.05Å; E801-Q805 WeakPolarHBondContact O-CG 3.34Å; E801-Q805 PolarHBondContact O-N 2.92Å; E801-Q805 PolarHBondContact OE1-NE2 2.9Å
802	P	94.6	Very high	92.2	Very high	86 Å²	86	70 Å²	70	56%	0.558	37%	0.366	S	S	*	.	H	α-helix	trans	-65.6	-36.5	-179.5	-19.1	33.3	0	0	0	112.7	E806	P802-E806 WeakPolarHBondContact O-CB 3.48Å; P802-E806 PolarHBondContact O-N 3.47Å
803	A	92.8	Very high	92.5	Very high	25 Å²	25	70.7 Å²	70.7	21%	0.207	37%	0.373	C	S	.	.	H	α-helix	trans	-74.8	-31.1	-179.7	0	0	0	0	0	112.1	Q705 Q800 E801 A807	Q705-A803 HydrophobicContact CG-CB 4.4Å; Q800-A803 PolarHBondContact O-N 3.16Å; Q800-A803 VanDerWaalsContact O-N 3.16Å; E801-A803 VanDerWaalsContact C-N 3.33Å; E801-A803 PolarHBondContact O-N 3.09Å; A803-A807 WeakPolarHBondContact O-CB 3.13Å; A803-A807 PolarHBondContact O-N 2.69Å; A803-A807 VanDerWaalsContact O-N 3.08Å
804	L	93	Very high	93	Very high	18 Å²	18	68.1 Å²	68.1	9%	0.094	35%	0.353	C	S	.	.	H	α-helix	trans	-71.2	-43.3	173.3	-175	61.6	0	0	0	111.5	A704 Q800 E801 A807 Q808	A704-L804 HydrophobicContact CB-CB 4.43Å; A704-L804 HydrophobicContact CB-CD1 4.23Å; Q800-L804 PolarHBondContact O-N 3.25Å; E801-L804 PolarHBondContact O-N 3.05Å; L804-A807 PolarHBondContact O-N 3.31Å; L804-Q808 WeakPolarHBondContact O-CG 3.44Å; L804-Q808 PolarHBondContact O-N 2.8Å
805	Q	94.7	Very high	93.2	Very high	90 Å²	90	67.2 Å²	67.2	42%	0.421	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-42.9	175.7	-70	176.5	8.6	0	0	111.7	E801 A807 Q808 Q809	E801-Q805 WeakPolarHBondContact O-CG 3.34Å; E801-Q805 PolarHBondContact O-N 2.92Å; E801-Q805 PolarHBondContact OE1-NE2 2.9Å; Q805-A807 VanDerWaalsContact C-N 3.35Å; Q805-A807 PolarHBondContact O-N 3.43Å; Q805-Q808 PolarHBondContact O-N 3.12Å; Q805-Q809 WeakPolarHBondContact O-CG 3.31Å; Q805-Q809 PolarHBondContact O-N 2.78Å
806	E	94.4	Very high	93.5	Very high	94 Å²	94	73.9 Å²	73.9	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-41.5	173.6	-174.2	179	-149.9	0	0	111.7	P802 Q808 Q809 R810	P802-E806 WeakPolarHBondContact O-CB 3.48Å; P802-E806 PolarHBondContact O-N 3.47Å; E806-Q808 PolarHBondContact O-N 2.93Å; E806-Q809 PolarHBondContact O-N 3.24Å; E806-R810 VanDerWaalsContact CD-CZ 3.47Å; E806-R810 HydrophobicContact CG-CG 4.33Å; E806-R810 WeakPolarHBondContact O-CB 3.45Å; E806-R810 VanDerWaalsContact O-CG 3.28Å; E806-R810 WeakPolarHBondContact O-CG 3.22Å; E806-R810 PolarHBondContact O-N 2.66Å; E806-R810 IonicContact OE1-CZ 2.66Å; E806-R810 VanDerWaalsContact OE1-CZ 3.24Å; E806-R810 IonicContact OE1-NE 2.77Å; E806-R810 PolarHBondContact OE1-NE 3.2Å; E806-R810 VanDerWaalsContact OE1-NE 3.17Å; E806-R810 IonicContact OE1-NH2 2.94Å; E806-R810 PolarHBondContact OE1-NH2 3.12Å; E806-R810 IonicContact OE2-CZ 3.18Å; E806-R810 IonicContact OE2-NE 3.86Å; E806-R810 IonicContact OE2-NH2 2.78Å; E806-R810 PolarHBondContact OE2-NH2 2.95Å
807	A	94.4	Very high	93.8	Very high	15 Å²	15	68.7 Å²	68.7	12%	0.124	37%	0.371	C	S	.	.	H	α-helix	trans	-63.2	-40.9	176.9	0	0	0	0	0	112.6	R733 A803 L804 Q805 R810 A811	R733-A807 HydrophobicContact CG-CB 4.49Å; A803-A807 WeakPolarHBondContact O-CB 3.13Å; A803-A807 PolarHBondContact O-N 2.69Å; A803-A807 VanDerWaalsContact O-N 3.08Å; L804-A807 PolarHBondContact O-N 3.31Å; Q805-A807 VanDerWaalsContact C-N 3.35Å; Q805-A807 PolarHBondContact O-N 3.43Å; A807-R810 PolarHBondContact O-N 3.15Å; A807-A811 WeakPolarHBondContact O-CB 3.46Å; A807-A811 PolarHBondContact O-N 3.4Å
808	Q	92.8	Very high	94.1	Very high	107 Å²	107	67.8 Å²	67.8	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-42.2	176	-73.2	170.1	-5.3	0	0	112.2	L804 Q805 E806 A811	L804-Q808 WeakPolarHBondContact O-CG 3.44Å; L804-Q808 PolarHBondContact O-N 2.8Å; Q805-Q808 PolarHBondContact O-N 3.12Å; E806-Q808 PolarHBondContact O-N 2.93Å; Q808-A811 PolarHBondContact O-N 3.04Å
809	Q	94.3	Very high	94.3	Very high	139 Å²	139	66.2 Å²	66.2	65%	0.65	35%	0.353	S	S	*	.	H	α-helix	trans	-64	-45	174.8	-69.7	173.6	8.9	0	0	111.7	Q805 E806 A811 Q812	Q805-Q809 WeakPolarHBondContact O-CG 3.31Å; Q805-Q809 PolarHBondContact O-N 2.78Å; E806-Q809 PolarHBondContact O-N 3.24Å; Q809-A811 VanDerWaalsContact C-N 3.31Å; Q809-A811 PolarHBondContact O-N 3.29Å; Q809-Q812 PolarHBondContact O-N 3.05Å
810	R	95.3	Very high	94.6	Very high	60 Å²	60	63.4 Å²	63.4	23%	0.226	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-33.1	178.9	-72.9	172.9	177.8	-161.6	7.2	112.9	E806 A807 Q812 L813 W821	E806-R810 VanDerWaalsContact CD-CZ 3.47Å; E806-R810 HydrophobicContact CG-CG 4.33Å; E806-R810 WeakPolarHBondContact O-CB 3.45Å; E806-R810 VanDerWaalsContact O-CG 3.28Å; E806-R810 WeakPolarHBondContact O-CG 3.22Å; E806-R810 PolarHBondContact O-N 2.66Å; E806-R810 IonicContact OE1-CZ 2.66Å; E806-R810 VanDerWaalsContact OE1-CZ 3.24Å; E806-R810 IonicContact OE1-NE 2.77Å; E806-R810 PolarHBondContact OE1-NE 3.2Å; E806-R810 VanDerWaalsContact OE1-NE 3.17Å; E806-R810 IonicContact OE1-NH2 2.94Å; E806-R810 PolarHBondContact OE1-NH2 3.12Å; E806-R810 IonicContact OE2-CZ 3.18Å; E806-R810 IonicContact OE2-NE 3.86Å; E806-R810 IonicContact OE2-NH2 2.78Å; E806-R810 PolarHBondContact OE2-NH2 2.95Å; A807-R810 PolarHBondContact O-N 3.15Å; R810-Q812 PolarHBondContact O-N 3.27Å; R810-Q812 VanDerWaalsContact O-N 3.17Å; R810-L813 HydrophobicContact CB-CD1 4.37Å; R810-L813 HydrophobicContact CG-CD1 4.35Å; R810-L813 WeakPolarHBondContact O-CB 3.36Å; R810-L813 WeakPolarHBondContact O-CG 3.23Å; R810-L813 PolarHBondContact O-N 3.39Å; R810-L813 VanDerWaalsContact O-N 3.11Å; R810-W821 HydrophobicContact CB-CD2 4.1Å; R810-W821 HydrophobicContact CB-CE3 4.02Å; R810-W821 HydrophobicContact CB-CH2 3.84Å; R810-W821 HydrophobicContact CB-CZ2 3.94Å; R810-W821 HydrophobicContact CB-CZ3 3.9Å; R810-W821 HydrophobicContact CG-CD2 4.32Å; R810-W821 VanDerWaalsContact O-CZ3 3.25Å; R810-W821 WeakPolarHBondContact O-CZ3 3.2Å
811	A	94	Very high	95	Very high	4 Å²	4	62.4 Å²	62.4	3%	0.033	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.1	178.1	0	0	0	0	0	114.7	S772 H775 A807 Q808 Q809	S772-A811 WeakPolarHBondContact CB-O 3.36Å; H775-A811 HydrophobicContact CB-CB 3.84Å; A807-A811 WeakPolarHBondContact O-CB 3.46Å; A807-A811 PolarHBondContact O-N 3.4Å; Q808-A811 PolarHBondContact O-N 3.04Å; Q809-A811 VanDerWaalsContact C-N 3.31Å; Q809-A811 PolarHBondContact O-N 3.29Å
812	Q	94.8	Very high	95.3	Very high	90 Å²	90	57.2 Å²	57.2	42%	0.421	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.2	175.6	-65.2	-60.4	-44.1	0	0	113.5	Q809 R810	Q809-Q812 PolarHBondContact O-N 3.05Å; R810-Q812 PolarHBondContact O-N 3.27Å; R810-Q812 VanDerWaalsContact O-N 3.17Å
813	L	96.2	Very high	95.5	Very high	53 Å²	53	53.1 Å²	53.1	28%	0.277	28%	0.282	S	S	.	.			trans	-75.5	135.7	-177.4	-60.3	177.1	0	0	0	111.6	R810 P817 L818 W821	R810-L813 HydrophobicContact CB-CD1 4.37Å; R810-L813 HydrophobicContact CG-CD1 4.35Å; R810-L813 WeakPolarHBondContact O-CB 3.36Å; R810-L813 WeakPolarHBondContact O-CG 3.23Å; R810-L813 PolarHBondContact O-N 3.39Å; R810-L813 VanDerWaalsContact O-N 3.11Å; L813-P817 HydrophobicContact CD2-CB 3.94Å; L813-L818 HydrophobicContact CB-CB 4.17Å; L813-W821 HydrophobicContact CD1-CB 4.06Å; L813-W821 HydrophobicContact CD1-CD2 4.43Å; L813-W821 HydrophobicContact CD1-CE3 4.12Å; L813-W821 HydrophobicContact CD1-CG 4.42Å
814	V	95.9	Very high	95.7	Very high	43 Å²	43	60.4 Å²	60.4	26%	0.261	30%	0.304	S	S	.	.			trans	-133	169.5	170.5	-67.1	0	0	0	0	110.8	L766 Q768 P817 L818	L766-V814 HydrophobicContact CD2-CG1 3.87Å; L766-V814 WeakPolarHBondContact O-CG1 3.39Å; Q768-V814 HydrophobicContact CB-CG1 3.81Å; Q768-V814 HydrophobicContact CB-CG2 4.35Å; Q768-V814 HydrophobicContact CG-CG1 4.48Å; V814-P817 VanDerWaalsContact O-CD 3.32Å; V814-P817 WeakPolarHBondContact O-CD 3.31Å; V814-L818 PolarHBondContact O-N 3.44Å
815	G	94.9	Very high	95.8	Very high	47 Å²	47	60.3 Å²	60.3	49%	0.485	30%	0.304	S	S	.	.	H	α-helix	trans	57.4	-138.2	174.3	0	0	0	0	0	114.4	L818 E819	G815-L818 WeakPolarHBondContact O-CB 3.48Å; G815-L818 PolarHBondContact O-N 3.36Å; G815-L818 VanDerWaalsContact O-N 3.1Å; G815-E819 PolarHBondContact O-N 3.13Å
816	K	95.3	Very high	96	Very high	152 Å²	152	56 Å²	56	66%	0.661	28%	0.284	S	S	*	.	H	α-helix	trans	-60.6	-41.3	-176.6	-67.5	-74.3	159.1	-161.7	0	114	L818 E819 A820	K816-L818 VanDerWaalsContact C-N 3.32Å; K816-L818 PolarHBondContact O-N 3.33Å; K816-E819 VanDerWaalsContact CD-OE2 3.28Å; K816-E819 WeakPolarHBondContact CD-OE2 3.22Å; K816-E819 WeakPolarHBondContact CE-OE2 3.29Å; K816-E819 IonicContact NZ-OE1 3.96Å; K816-E819 IonicContact NZ-OE2 3.68Å; K816-E819 PolarHBondContact NZ-OE2 2.93Å; K816-E819 PolarHBondContact O-N 3.44Å; K816-A820 WeakPolarHBondContact O-CB 3.23Å; K816-A820 PolarHBondContact O-N 3.49Å
817	P	97	Very high	96	Very high	78 Å²	78	53.2 Å²	53.2	51%	0.506	28%	0.28	S	S	.	.	H	α-helix	trans	-56.7	-40.3	169.8	-29	35.4	0	0	0	114.2	L813 V814 A820 W821	L813-P817 HydrophobicContact CD2-CB 3.94Å; V814-P817 VanDerWaalsContact O-CD 3.32Å; V814-P817 WeakPolarHBondContact O-CD 3.31Å; P817-A820 PolarHBondContact O-N 3.45Å; P817-W821 PolarHBondContact O-N 3.44Å; P817-W821 VanDerWaalsContact O-N 3.08Å
818	L	97.3	Very high	96.1	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-47.7	175.5	175.9	58.4	0	0	0	111.5	P757 L766 L813 V814 G815 K816 A820 W821 V822	P757-L818 HydrophobicContact CB-CD1 4.42Å; L766-L818 HydrophobicContact CB-CD2 4.06Å; L766-L818 HydrophobicContact CD2-CD2 4.33Å; L813-L818 HydrophobicContact CB-CB 4.17Å; V814-L818 PolarHBondContact O-N 3.44Å; G815-L818 WeakPolarHBondContact O-CB 3.48Å; G815-L818 PolarHBondContact O-N 3.36Å; G815-L818 VanDerWaalsContact O-N 3.1Å; K816-L818 VanDerWaalsContact C-N 3.32Å; K816-L818 PolarHBondContact O-N 3.33Å; L818-A820 VanDerWaalsContact C-N 3.26Å; L818-A820 PolarHBondContact O-N 2.95Å; L818-W821 HydrophobicContact CD1-CE3 3.79Å; L818-W821 HydrophobicContact CD1-CZ3 4.22Å; L818-W821 PolarHBondContact O-N 3.42Å; L818-V822 HydrophobicContact CD1-CG2 4.12Å; L818-V822 HydrophobicContact CG-CG2 4.34Å; L818-V822 VanDerWaalsContact O-CG2 3.27Å; L818-V822 WeakPolarHBondContact O-CG2 3.42Å; L818-V822 PolarHBondContact O-N 3.35Å
819	E	96.8	Very high	96.3	Very high	40 Å²	40	50.8 Å²	50.8	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-40.9	174.7	-70.3	-171.1	140.7	0	0	112.4	R575 G815 K816 V822 D823	R575-E819 IonicContact CZ-OE1 3.71Å; R575-E819 IonicContact NH1-OE1 3.42Å; R575-E819 PolarHBondContact NH1-OE1 3.19Å; G815-E819 PolarHBondContact O-N 3.13Å; K816-E819 VanDerWaalsContact CD-OE2 3.28Å; K816-E819 WeakPolarHBondContact CD-OE2 3.22Å; K816-E819 WeakPolarHBondContact CE-OE2 3.29Å; K816-E819 IonicContact NZ-OE1 3.96Å; K816-E819 IonicContact NZ-OE2 3.68Å; K816-E819 PolarHBondContact NZ-OE2 2.93Å; K816-E819 PolarHBondContact O-N 3.44Å; E819-V822 PolarHBondContact O-N 2.03Å; E819-D823 WeakPolarHBondContact O-CB 3.11Å; E819-D823 PolarHBondContact O-N 3.33Å
820	A	97.4	Very high	96.4	Very high	44 Å²	44	45 Å²	45	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-34.6	176.9	0	0	0	0	0	112.8	K816 P817 L818 R824	K816-A820 WeakPolarHBondContact O-CB 3.23Å; K816-A820 PolarHBondContact O-N 3.49Å; P817-A820 PolarHBondContact O-N 3.45Å; L818-A820 VanDerWaalsContact C-N 3.26Å; L818-A820 PolarHBondContact O-N 2.95Å; A820-R824 VanDerWaalsContact O-CB 3.24Å; A820-R824 WeakPolarHBondContact O-CB 3.38Å; A820-R824 PolarHBondContact O-N 3.25Å; A820-R824 VanDerWaalsContact O-N 3.11Å
821	W	97.8	Very high	96.5	Very high	13 Å²	13	45 Å²	45	5%	0.049	26%	0.255	C	S	.	.	H	α-helix	trans	-71.2	-44.4	172.6	174.3	33	0	0	0	111.9	P734 P757 H775 R810 L813 P817 L818 R824 T825	P734-W821 HydrophobicContact CB-CH2 3.84Å; P734-W821 HydrophobicContact CB-CZ2 3.96Å; P734-W821 HydrophobicContact CG-CH2 4.13Å; P757-W821 HydrophobicContact CB-CD2 4.27Å; P757-W821 HydrophobicContact CB-CE3 3.93Å; P757-W821 HydrophobicContact CB-CH2 3.67Å; P757-W821 HydrophobicContact CB-CZ2 3.99Å; P757-W821 HydrophobicContact CB-CZ3 3.62Å; P757-W821 HydrophobicContact CG-CD2 4.03Å; P757-W821 HydrophobicContact CG-CE3 4.19Å; P757-W821 HydrophobicContact CG-CH2 4.2Å; P757-W821 HydrophobicContact CG-CZ2 4Å; P757-W821 HydrophobicContact CG-CZ3 4.27Å; H775-W821 HydrophobicContact CB-CH2 4.39Å; H775-W821 HydrophobicContact CB-CZ3 4.39Å; H775-W821 AromaticContact ND1-CZ3 3.72Å; R810-W821 HydrophobicContact CB-CD2 4.1Å; R810-W821 HydrophobicContact CB-CE3 4.02Å; R810-W821 HydrophobicContact CB-CH2 3.84Å; R810-W821 HydrophobicContact CB-CZ2 3.94Å; R810-W821 HydrophobicContact CB-CZ3 3.9Å; R810-W821 HydrophobicContact CG-CD2 4.32Å; R810-W821 VanDerWaalsContact O-CZ3 3.25Å; R810-W821 WeakPolarHBondContact O-CZ3 3.2Å; L813-W821 HydrophobicContact CD1-CB 4.06Å; L813-W821 HydrophobicContact CD1-CD2 4.43Å; L813-W821 HydrophobicContact CD1-CE3 4.12Å; L813-W821 HydrophobicContact CD1-CG 4.42Å; P817-W821 PolarHBondContact O-N 3.44Å; P817-W821 VanDerWaalsContact O-N 3.08Å; L818-W821 HydrophobicContact CD1-CE3 3.79Å; L818-W821 HydrophobicContact CD1-CZ3 4.22Å; L818-W821 PolarHBondContact O-N 3.42Å; W821-R824 PolarHBondContact O-N 2.95Å; W821-T825 PolarHBondContact NE1-OG1 3.19Å; W821-T825 WeakPolarHBondContact O-CB 3.32Å; W821-T825 PolarHBondContact O-N 2.88Å; W821-T825 PolarHBondContact O-OG1 3.23Å
822	V	98.1	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-53.1	-58	173.4	174.4	0	0	0	0	109.4	T568 P757 L818 E819 R824 T825 V826	T568-V822 HydrophobicContact CG2-CG1 3.68Å; T568-V822 HydrophobicContact CG2-CG2 4.26Å; P757-V822 HydrophobicContact CB-CG2 4.38Å; P757-V822 HydrophobicContact CG-CG2 3.97Å; P757-V822 WeakPolarHBondContact O-CG2 3.47Å; L818-V822 HydrophobicContact CD1-CG2 4.12Å; L818-V822 HydrophobicContact CG-CG2 4.34Å; L818-V822 VanDerWaalsContact O-CG2 3.27Å; L818-V822 WeakPolarHBondContact O-CG2 3.42Å; L818-V822 PolarHBondContact O-N 3.35Å; E819-V822 PolarHBondContact O-N 2.03Å; V822-R824 PolarHBondContact O-N 3.36Å; V822-T825 PolarHBondContact O-N 2.73Å; V822-V826 HydrophobicContact CG1-CG2 4.18Å; V822-V826 WeakPolarHBondContact O-CG2 3.43Å; V822-V826 PolarHBondContact O-N 2.69Å
823	D	97.9	Very high	96.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-40.1	-175.6	-63.6	-15.6	0	0	0	112.7	S572 R575 L576 R579 E819 T825 G827	S572-D823 WeakPolarHBondContact CA-OD1 3.46Å; S572-D823 WeakPolarHBondContact CB-OD1 3.42Å; S572-D823 WeakPolarHBondContact OG-CA 3.43Å; S572-D823 PolarHBondContact OG-OD1 2.91Å; R575-D823 IonicContact CZ-OD1 3.32Å; R575-D823 IonicContact CZ-OD2 2.88Å; R575-D823 IonicContact NE-OD1 3.66Å; R575-D823 PolarHBondContact NE-OD1 3.39Å; R575-D823 IonicContact NE-OD2 3.14Å; R575-D823 PolarHBondContact NE-OD2 2.94Å; R575-D823 IonicContact NH2-OD1 2.86Å; R575-D823 PolarHBondContact NH2-OD1 2.89Å; R575-D823 IonicContact NH2-OD2 2.8Å; L576-D823 HydrophobicContact CD2-CB 4.23Å; L576-D823 HydrophobicContact CG-CB 4.47Å; R579-D823 IonicContact CZ-OD2 2.68Å; R579-D823 IonicContact NH1-OD2 3.67Å; R579-D823 PolarHBondContact NH1-OD2 2.92Å; R579-D823 IonicContact NH2-OD2 2.67Å; R579-D823 PolarHBondContact NH2-OD2 2.81Å; E819-D823 WeakPolarHBondContact O-CB 3.11Å; E819-D823 PolarHBondContact O-N 3.33Å; D823-T825 VanDerWaalsContact C-N 3.28Å; D823-T825 PolarHBondContact O-N 2.83Å; D823-G827 PolarHBondContact O-N 3.32Å
824	R	96.9	Very high	96.6	Very high	178 Å²	178	45.3 Å²	45.3	67%	0.672	27%	0.27	S	S	*	.	H	α-helix	trans	-62.6	-36.4	175	-174.1	-172.3	-59.8	170.8	1.8	112	A820 W821 V822	A820-R824 VanDerWaalsContact O-CB 3.24Å; A820-R824 WeakPolarHBondContact O-CB 3.38Å; A820-R824 PolarHBondContact O-N 3.25Å; A820-R824 VanDerWaalsContact O-N 3.11Å; W821-R824 PolarHBondContact O-N 2.95Å; V822-R824 PolarHBondContact O-N 3.36Å
825	T	96.3	Very high	96.6	Very high	15 Å²	15	44 Å²	44	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-80.7	-38.9	-177.6	-46.1	0	0	0	0	111.1	L754 W821 V822 D823 A828 F829	L754-T825 HydrophobicContact CD1-CG2 3.44Å; L754-T825 VanDerWaalsContact CD1-CG2 3.44Å; W821-T825 PolarHBondContact NE1-OG1 3.19Å; W821-T825 WeakPolarHBondContact O-CB 3.32Å; W821-T825 PolarHBondContact O-N 2.88Å; W821-T825 PolarHBondContact O-OG1 3.23Å; V822-T825 PolarHBondContact O-N 2.73Å; D823-T825 VanDerWaalsContact C-N 3.28Å; D823-T825 PolarHBondContact O-N 2.83Å; T825-A828 PolarHBondContact O-N 3.15Å; T825-F829 WeakPolarHBondContact O-CD2 3.44Å
826	V	97.3	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-44.1	172.9	173.8	0	0	0	0	110.8	F573 L576 L754 M756 V822 A828 F829 W830	F573-V826 HydrophobicContact CD1-CG1 3.67Å; F573-V826 HydrophobicContact CE1-CG1 3.6Å; L576-V826 HydrophobicContact CD1-CB 4.05Å; L576-V826 HydrophobicContact CD1-CG1 3.67Å; L754-V826 HydrophobicContact CD2-CB 4.5Å; L754-V826 HydrophobicContact CD2-CG2 4Å; M756-V826 HydrophobicContact CE-CG2 3.82Å; M756-V826 HydrophobicContact CG-CG2 4.05Å; M756-V826 HydrophobicContact SD-CG2 3.76Å; V822-V826 HydrophobicContact CG1-CG2 4.18Å; V822-V826 WeakPolarHBondContact O-CG2 3.43Å; V822-V826 PolarHBondContact O-N 2.69Å; V826-A828 PolarHBondContact O-N 3.06Å; V826-F829 PolarHBondContact O-N 3.09Å; V826-W830 HydrophobicContact CG1-CB 4.1Å; V826-W830 HydrophobicContact CG1-CG 4.2Å; V826-W830 PolarHBondContact O-N 3.45Å
827	G	96.4	Very high	96.6	Very high	35 Å²	35	34.8 Å²	34.8	36%	0.361	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.1	177.1	0	0	0	0	0	115.8	D823 W830	D823-G827 PolarHBondContact O-N 3.32Å; G827-W830 WeakPolarHBondContact CA-O 3.44Å
828	A	95.1	Very high	96.4	Very high	58 Å²	58	33.6 Å²	33.6	48%	0.479	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-0.6	170.7	0	0	0	0	0	113.5	T825 V826	T825-A828 PolarHBondContact O-N 3.15Å; V826-A828 PolarHBondContact O-N 3.06Å
829	F	96.8	Very high	95.9	Very high	14 Å²	14	36 Å²	36	6%	0.061	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-16.6	178.8	-72.6	-94.5	0	0	0	112.9	Q638 T640 A736 R752 F753 L754 T825 V826	Q638-F829 WeakPolarHBondContact CB-O 3.13Å; Q638-F829 PolarHBondContact N-O 2.76Å; T640-F829 HydrophobicContact CG2-CD1 3.72Å; T640-F829 HydrophobicContact CG2-CE1 3.91Å; A736-F829 HydrophobicContact CB-CE2 3.75Å; A736-F829 HydrophobicContact CB-CZ 3.62Å; R752-F829 HydrophobicContact CB-CE1 4.11Å; R752-F829 HydrophobicContact CB-CZ 4.39Å; F753-F829 WeakPolarHBondContact O-CZ 3.39Å; L754-F829 HydrophobicContact CB-CD1 4.24Å; L754-F829 HydrophobicContact CB-CD2 3.85Å; L754-F829 HydrophobicContact CB-CE1 4.3Å; L754-F829 HydrophobicContact CB-CE2 3.91Å; L754-F829 HydrophobicContact CB-CG 4.02Å; L754-F829 HydrophobicContact CB-CZ 4.14Å; L754-F829 HydrophobicContact CD1-CD2 4.41Å; L754-F829 HydrophobicContact CD1-CE2 4.22Å; L754-F829 HydrophobicContact CD2-CD2 4.06Å; L754-F829 HydrophobicContact CD2-CG 4.46Å; L754-F829 HydrophobicContact CG-CD2 4.33Å; L754-F829 HydrophobicContact CG-CE2 4.49Å; T825-F829 WeakPolarHBondContact O-CD2 3.44Å; V826-F829 PolarHBondContact O-N 3.09Å
830	W	97.4	Very high	94.7	Very high	17 Å²	17	39.3 Å²	39.3	6%	0.064	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.7	-175.6	-68.1	82.5	0	0	0	110.6	F573 F611 Y614 A635 V636 P637 G673 V826 G827	F573-W830 HydrophobicContact CD1-CB 4.41Å; F573-W830 HydrophobicContact CD1-CD2 4.26Å; F573-W830 HydrophobicContact CD1-CE3 4.46Å; F573-W830 HydrophobicContact CD1-CG 4.22Å; F573-W830 HydrophobicContact CE1-CB 4.15Å; F573-W830 AromaticContact CE1-CD1 3.76Å; F573-W830 AromaticContact CE1-CD2 3.41Å; F573-W830 HydrophobicContact CE1-CD2 3.41Å; F573-W830 VanDerWaalsContact CE1-CD2 3.41Å; F573-W830 AromaticContact CE1-CE2 3.67Å; F573-W830 AromaticContact CE1-CE3 3.88Å; F573-W830 HydrophobicContact CE1-CE3 3.88Å; F573-W830 AromaticContact CE1-CG 3.51Å; F573-W830 HydrophobicContact CE1-CG 3.51Å; F573-W830 HydrophobicContact CE1-CZ2 4.33Å; F573-W830 AromaticContact CE1-NE1 3.84Å; F573-W830 AromaticContact CZ-CD2 3.71Å; F573-W830 HydrophobicContact CZ-CD2 3.71Å; F573-W830 AromaticContact CZ-CE2 3.59Å; F573-W830 AromaticContact CZ-CE3 3.98Å; F573-W830 HydrophobicContact CZ-CE3 3.98Å; F573-W830 HydrophobicContact CZ-CG 4.26Å; F573-W830 HydrophobicContact CZ-CH2 4.1Å; F573-W830 AromaticContact CZ-CZ2 3.79Å; F573-W830 HydrophobicContact CZ-CZ2 3.79Å; F573-W830 HydrophobicContact CZ-CZ3 4.17Å; F611-W830 HydrophobicContact CE1-CH2 4.41Å; Y614-W830 AromaticContact CD2-CH2 3.39Å; Y614-W830 HydrophobicContact CD2-CH2 3.39Å; Y614-W830 HydrophobicContact CD2-CZ2 4.24Å; Y614-W830 AromaticContact CD2-CZ3 3.65Å; Y614-W830 HydrophobicContact CD2-CZ3 3.65Å; Y614-W830 AromaticContact CE2-CH2 3.36Å; Y614-W830 HydrophobicContact CE2-CH2 3.36Å; Y614-W830 AromaticContact CE2-CZ2 3.93Å; Y614-W830 HydrophobicContact CE2-CZ2 3.93Å; Y614-W830 HydrophobicContact CE2-CZ3 4.12Å; A635-W830 HydrophobicContact CB-CE3 4.12Å; A635-W830 WeakPolarHBondContact O-CZ3 3.26Å; V636-W830 VanDerWaalsContact C-CE3 3.41Å; V636-W830 WeakPolarHBondContact O-CA 3.3Å; P637-W830 HydrophobicContact CB-CD2 4.34Å; P637-W830 HydrophobicContact CB-CE3 4.12Å; P637-W830 HydrophobicContact CB-CH2 3.77Å; P637-W830 HydrophobicContact CB-CZ2 4.03Å; P637-W830 HydrophobicContact CB-CZ3 3.84Å; P637-W830 HydrophobicContact CG-CH2 4.18Å; P637-W830 HydrophobicContact CG-CZ3 4.11Å; G673-W830 WeakPolarHBondContact O-CZ2 3.41Å; V826-W830 HydrophobicContact CG1-CB 4.1Å; V826-W830 HydrophobicContact CG1-CG 4.2Å; V826-W830 PolarHBondContact O-N 3.45Å; G827-W830 WeakPolarHBondContact CA-O 3.44Å
831	V	96.6	Very high	93.5	Very high	61 Å²	61	40.5 Å²	40.5	37%	0.37	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.1	173.6	-66.3	0	0	0	0	110.6	V636 Q638 G833	V636-V831 HydrophobicContact CB-CG2 4.07Å; V636-V831 PolarHBondContact N-O 2.84Å; V636-V831 PolarHBondContact O-N 2.95Å; Q638-V831 HydrophobicContact CG-CG1 4.11Å; Q638-V831 HydrophobicContact CG-CG2 4.31Å; V831-G833 PolarHBondContact O-N 3.02Å
832	T	97	Very high	92	Very high	37 Å²	37	45.3 Å²	45.3	23%	0.227	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.4	167.3	-45.3	0	0	0	0	109.1	L576 G577 S580 V633 W634 L835	L576-T832 PolarHBondContact O-OG1 3.02Å; G577-T832 WeakPolarHBondContact CA-OG1 3.33Å; S580-T832 WeakPolarHBondContact OG-CB 3.26Å; S580-T832 WeakPolarHBondContact OG-CG2 3.5Å; S580-T832 PolarHBondContact OG-OG1 2.7Å; V633-T832 HydrophobicContact CG1-CG2 4.09Å; W634-T832 WeakPolarHBondContact O-CA 3.38Å; T832-L835 HydrophobicContact CG2-CD1 3.66Å; T832-L835 HydrophobicContact CG2-CG 4.27Å
833	G	95.5	Very high	90.7	Very high	40 Å²	40	46.1 Å²	46.1	41%	0.412	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-53.1	169.9	0	0	0	0	0	111.4	W634 V831	W634-G833 PolarHBondContact O-N 3.2Å; V831-G833 PolarHBondContact O-N 3.02Å
834	D	95.7	Very high	89.6	Confident	76 Å²	76	48 Å²	48	41%	0.406	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	169	-179.1	-166.2	13	0	0	0	110.9	W634 W856	W634-D834 HydrophobicContact CE3-CB 4.19Å; W634-D834 PolarHBondContact N-O 2.03Å; D834-W856 HydrophobicContact CB-CZ2 3.68Å; D834-W856 PolarHBondContact OD2-NE1 3.48Å
835	L	95.6	Very high	88.9	Confident	16 Å²	16	39.6 Å²	39.6	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	146	173.7	-61.7	91.8	0	0	0	111.6	L578 L581 V631 E632 V633 T832 L848	L578-L835 HydrophobicContact CD2-CD2 4.49Å; L581-L835 HydrophobicContact CB-CD2 4.35Å; V631-L835 HydrophobicContact CG1-CB 4.47Å; V631-L835 HydrophobicContact CG1-CD2 4.19Å; E632-L835 WeakPolarHBondContact O-CA 3.26Å; V633-L835 HydrophobicContact CG2-CD2 3.83Å; V633-L835 HydrophobicContact CG2-CG 4.1Å; T832-L835 HydrophobicContact CG2-CD1 3.66Å; T832-L835 HydrophobicContact CG2-CG 4.27Å; L835-L848 HydrophobicContact CB-CD2 3.56Å; L835-L848 HydrophobicContact CD2-CD2 4.39Å
836	C	95.3	Very high	88.2	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.02	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.3	172.8	66.3	0	0	0	0	112.3	V631 E632 G849 C851 W856	V631-C836 CarbonylContact C-O 3.58Å; V631-C836 VanDerWaalsContact CA-O 3.3Å; V631-C836 WeakPolarHBondContact CA-O 3.37Å; V631-C836 WeakPolarHBondContact CG1-O 3.24Å; E632-C836 PolarHBondContact N-O 2.76Å; E632-C836 PolarHBondContact O-N 2.36Å; C836-G849 CarbonylContact C-O 3.47Å; C836-G849 WeakPolarHBondContact CA-O 3.41Å; C836-G849 WeakPolarHBondContact CB-O 3.43Å; C836-C851 HydrophobicContact CB-CB 3.88Å; C836-C851 WeakPolarHBondContact CB-SG 3.31Å; C836-C851 PolarHBondContact O-SG 3.38Å; C836-C851 VanDerWaalsContact O-SG 3.36Å; C836-C851 WeakPolarHBondContact SG-CA 3.38Å; C836-C851 WeakPolarHBondContact SG-CB 3.49Å; C836-C851 CovalentContact SG-SG 2.04Å; C836-C851 PolarHBondContact SG-SG 3.34Å; C836-W856 HydrophobicContact CB-CH2 4.13Å; C836-W856 HydrophobicContact CB-CZ2 4.03Å; C836-W856 WeakPolarHBondContact SG-CH2 3.38Å
837	S	94.4	Very high	87.5	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	145.8	170.8	-178.7	0	0	0	0	110.3	E629 L839 G849 P850 C851	E629-S837 WeakPolarHBondContact OE2-CB 3.42Å; E629-S837 PolarHBondContact OE2-OG 3.19Å; S837-L839 PolarHBondContact O-N 2.99Å; S837-L839 WeakPolarHBondContact OG-CG 3.02Å; S837-L839 PolarHBondContact OG-N 2.87Å; S837-G849 PolarHBondContact N-O 3.22Å; S837-P850 CarbonylContact O-C 3.56Å; S837-P850 WeakPolarHBondContact O-CA 3.38Å; S837-C851 VanDerWaalsContact C-SG 3.53Å; S837-C851 PolarHBondContact O-N 3.5Å; S837-C851 PolarHBondContact O-SG 3.49Å; S837-C851 VanDerWaalsContact O-SG 3.35Å
838	T	92.9	Very high	87.2	Confident	52 Å²	52	45.1 Å²	45.1	32%	0.319	30%	0.296	S	S	.	.	S	Bend	trans	-74.2	-5.9	172.3	63.8	0	0	0	0	113	T630 L859	T630-T838 WeakPolarHBondContact CB-OG1 3.33Å; T630-T838 HydrophobicContact CG2-CG2 3.84Å; T630-T838 WeakPolarHBondContact O-CG2 3.29Å; T630-T838 PolarHBondContact O-N 3.36Å; T630-T838 PolarHBondContact O-OG1 3.29Å; T838-L859 HydrophobicContact CG2-CD1 3.78Å
839	L	87.6	Confident	86.9	Confident	55 Å²	55	44.1 Å²	44.1	29%	0.288	29%	0.291	S	S	.	.			trans	-70.2	139.5	178	-63.6	178.4	0	0	0	111.4	E629 S837 P850	E629-L839 HydrophobicContact CB-CD1 3.94Å; E629-L839 HydrophobicContact CB-CG 4.22Å; E629-L839 WeakPolarHBondContact OE2-CD1 3.32Å; S837-L839 PolarHBondContact O-N 2.99Å; S837-L839 WeakPolarHBondContact OG-CG 3.02Å; S837-L839 PolarHBondContact OG-N 2.87Å; L839-P850 WeakPolarHBondContact O-CB 3.09Å
840	P	71.4	Confident	86.8	Confident	108 Å²	108	44.5 Å²	44.5	70%	0.701	30%	0.296	S	S	*	.	S	Bend	trans	-78.6	-24.2	-176.9	31.1	-35.6	0	0	0	113.5
841	S	71.1	Confident	86.8	Confident	69 Å²	69	43.8 Å²	43.8	48%	0.483	29%	0.293	S	S	.	.	S	Bend	trans	-103.8	163.7	174.9	57	0	0	0	0	110.6	G843	S841-G843 PolarHBondContact O-N 3.03Å
842	P	66.9	Low	86.7	Confident	115 Å²	115	44.6 Å²	44.6	75%	0.747	30%	0.298	S	S	*	.			trans	-50.7	126.6	171.6	-26	35.3	0	0	0	111.2
843	G	69.9	Low	86.6	Confident	17 Å²	17	50.6 Å²	50.6	18%	0.175	32%	0.321	C	S	.	.			trans	-80.3	-176.3	-177.3	0	0	0	0	0	113.4	S841 C845	S841-G843 PolarHBondContact O-N 3.03Å; G843-C845 PolarHBondContact O-N 2.85Å
844	P	75	Confident	86.5	Confident	41 Å²	41	49.8 Å²	49.8	27%	0.266	31%	0.309	S	S	.	.	S	Bend	trans	-53.4	-18.2	170.6	-26	32.6	0	0	0	115.7	K622 V627 E629	K622-P844 HydrophobicContact CD-CB 3.58Å; K622-P844 PolarHBondContact NZ-O 3.17Å; V627-P844 HydrophobicContact CG1-CG 3.69Å; E629-P844 VanDerWaalsContact OE1-CD 3.28Å; E629-P844 WeakPolarHBondContact OE1-CD 3.47Å
845	C	83.1	Confident	86.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-116.4	121.2	172	170	0	0	0	0	110.2	C591 Y593 G843 S847 L848	C591-C845 HydrophobicContact CB-CB 3.88Å; C591-C845 WeakPolarHBondContact CB-SG 3.44Å; C591-C845 VanDerWaalsContact SG-CA 3.59Å; C591-C845 WeakPolarHBondContact SG-CB 3.5Å; C591-C845 CovalentContact SG-SG 2.03Å; C591-C845 PolarHBondContact SG-SG 3.28Å; Y593-C845 HydrophobicContact CE2-CB 3.69Å; Y593-C845 WeakPolarHBondContact OH-CB 3.38Å; Y593-C845 PolarHBondContact OH-N 3.02Å; G843-C845 PolarHBondContact O-N 2.85Å; C845-S847 VanDerWaalsContact C-N 3.25Å; C845-S847 PolarHBondContact O-N 3.1Å; C845-L848 HydrophobicContact CB-CD1 4.16Å; C845-L848 HydrophobicContact CB-CG 4.31Å; C845-L848 PolarHBondContact O-N 3.22Å
846	P	81.4	Confident	86.6	Confident	97 Å²	97	51.1 Å²	51.1	63%	0.63	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-15.4	-177.1	28.6	-36	0	0	0	114.4
847	S	83	Confident	86.7	Confident	62 Å²	62	51 Å²	51	43%	0.434	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.2	175.6	-71.5	0	0	0	0	114.1	Q585 C845	Q585-S847 PolarHBondContact NE2-OG 3.17Å; C845-S847 VanDerWaalsContact C-N 3.25Å; C845-S847 PolarHBondContact O-N 3.1Å
848	L	88.4	Confident	86.9	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.037	32%	0.322	C	S	.	.			trans	-93.5	104.7	178.3	-68.8	176.2	0	0	0	110.7	L581 Y593 V631 L835 C845	L581-L848 HydrophobicContact CD1-CD2 4.31Å; L581-L848 HydrophobicContact CD2-CD1 4.17Å; L581-L848 HydrophobicContact CD2-CD2 4.15Å; L581-L848 HydrophobicContact CD2-CG 4.16Å; Y593-L848 HydrophobicContact CE2-CD1 3.94Å; V631-L848 HydrophobicContact CG2-CD1 3.88Å; L835-L848 HydrophobicContact CB-CD2 3.56Å; L835-L848 HydrophobicContact CD2-CD2 4.39Å; C845-L848 HydrophobicContact CB-CD1 4.16Å; C845-L848 HydrophobicContact CB-CG 4.31Å; C845-L848 PolarHBondContact O-N 3.22Å
849	G	90.4	Very high	87.1	Confident	37 Å²	37	51.9 Å²	51.9	38%	0.381	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	158.7	172.2	0	0	0	0	0	112.8	C836 S837 C851	C836-G849 CarbonylContact C-O 3.47Å; C836-G849 WeakPolarHBondContact CA-O 3.41Å; C836-G849 WeakPolarHBondContact CB-O 3.43Å; S837-G849 PolarHBondContact N-O 3.22Å; G849-C851 PolarHBondContact O-N 3.19Å
850	P	94.4	Very high	87.5	Confident	23 Å²	23	49.7 Å²	49.7	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	128.9	173.9	-21.8	34.3	0	0	0	111.7	S837 L839 T852 K853	S837-P850 CarbonylContact O-C 3.56Å; S837-P850 WeakPolarHBondContact O-CA 3.38Å; L839-P850 WeakPolarHBondContact O-CB 3.09Å; P850-T852 PolarHBondContact O-N 3.34Å; P850-T852 VanDerWaalsContact O-N 3.16Å; P850-K853 HydrophobicContact CB-CD 4.34Å; P850-K853 HydrophobicContact CB-CG 4.32Å; P850-K853 HydrophobicContact CG-CD 4.16Å; P850-K853 PolarHBondContact O-N 3.42Å
851	C	96.1	Very high	88.8	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-55.7	-34.2	179.7	-70.6	0	0	0	0	113.7	C836 S837 G849 K853 S854 S857 L859	C836-C851 HydrophobicContact CB-CB 3.88Å; C836-C851 WeakPolarHBondContact CB-SG 3.31Å; C836-C851 PolarHBondContact O-SG 3.38Å; C836-C851 VanDerWaalsContact O-SG 3.36Å; C836-C851 WeakPolarHBondContact SG-CA 3.38Å; C836-C851 WeakPolarHBondContact SG-CB 3.49Å; C836-C851 CovalentContact SG-SG 2.04Å; C836-C851 PolarHBondContact SG-SG 3.34Å; S837-C851 VanDerWaalsContact C-SG 3.53Å; S837-C851 PolarHBondContact O-N 3.5Å; S837-C851 PolarHBondContact O-SG 3.49Å; S837-C851 VanDerWaalsContact O-SG 3.35Å; G849-C851 PolarHBondContact O-N 3.19Å; C851-K853 PolarHBondContact O-N 3.41Å; C851-K853 VanDerWaalsContact O-N 3.11Å; C851-S854 PolarHBondContact O-N 3.18Å; C851-S854 VanDerWaalsContact O-N 3.16Å; C851-S857 WeakPolarHBondContact CB-OG 3.49Å; C851-S857 WeakPolarHBondContact O-CB 3.29Å; C851-L859 HydrophobicContact CB-CB 4.01Å; C851-L859 HydrophobicContact CB-CD1 4.01Å
852	T	95.6	Very high	90	Very high	79 Å²	79	44.1 Å²	44.1	49%	0.485	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-67.9	-4.9	176.8	54.3	0	0	0	0	114.4	P850 L859	P850-T852 PolarHBondContact O-N 3.34Å; P850-T852 VanDerWaalsContact O-N 3.16Å; T852-L859 WeakPolarHBondContact CA-O 3.48Å; T852-L859 HydrophobicContact CG2-CB 4.28Å
853	K	93.8	Very high	91.5	Very high	163 Å²	163	40.2 Å²	40.2	71%	0.709	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-111.6	-3.1	175.4	-61.9	-177.2	-177.5	176.6	0	113.5	P850 C851	P850-K853 HydrophobicContact CB-CD 4.34Å; P850-K853 HydrophobicContact CB-CG 4.32Å; P850-K853 HydrophobicContact CG-CD 4.16Å; P850-K853 PolarHBondContact O-N 3.42Å; C851-K853 PolarHBondContact O-N 3.41Å; C851-K853 VanDerWaalsContact O-N 3.11Å
854	S	94.6	Very high	92.8	Very high	22 Å²	22	39.5 Å²	39.5	15%	0.154	24%	0.241	C	C	.	.	S	Bend	trans	-83	165	175.2	100.9	0	0	0	0	111.3	C851 W856 S857 A860	C851-S854 PolarHBondContact O-N 3.18Å; C851-S854 VanDerWaalsContact O-N 3.16Å; S854-W856 PolarHBondContact OG-N 3.1Å; S854-W856 PolarHBondContact OG-NE1 3.15Å; S854-S857 VanDerWaalsContact OG-CB 3.28Å; S854-S857 WeakPolarHBondContact OG-CB 3.36Å; S854-S857 PolarHBondContact OG-N 3.41Å; S854-A860 VanDerWaalsContact O-CB 3.24Å; S854-A860 WeakPolarHBondContact O-CB 3.46Å
855	T	95.4	Very high	93.9	Very high	116 Å²	116	38 Å²	38	71%	0.712	23%	0.232	S	C	*	.	S	Bend	trans	-93.1	-6.2	177.9	50.2	0	0	0	0	113.5
856	W	97.4	Very high	94.6	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.019	25%	0.252	C	S	.	.	S	Bend	trans	-124.4	-19.5	-168.1	59.4	-101.6	0	0	0	114.2	W549 Y605 L615 E632 W634 D834 C836 S854	W549-W856 PolarHBondContact NE1-O 2.81Å; Y605-W856 HydrophobicContact CD1-CB 4.33Å; Y605-W856 HydrophobicContact CE1-CB 3.58Å; L615-W856 HydrophobicContact CD1-CE3 4.37Å; L615-W856 WeakPolarHBondContact CD1-O 3.36Å; L615-W856 HydrophobicContact CD2-CE3 3.72Å; L615-W856 HydrophobicContact CD2-CZ3 4.03Å; E632-W856 HydrophobicContact CG-CZ3 4.16Å; W634-W856 HydrophobicContact CB-CD2 4.23Å; W634-W856 HydrophobicContact CB-CE3 3.78Å; W634-W856 HydrophobicContact CB-CH2 4.23Å; W634-W856 HydrophobicContact CB-CZ3 3.8Å; W634-W856 HydrophobicContact CD2-CG 4.48Å; W634-W856 HydrophobicContact CE3-CB 4.18Å; W634-W856 HydrophobicContact CE3-CD2 4.1Å; W634-W856 AromaticContact CE3-CG 3.86Å; W634-W856 HydrophobicContact CE3-CG 3.86Å; W634-W856 HydrophobicContact CG-CE3 4.33Å; W634-W856 HydrophobicContact CZ3-CB 4.39Å; W634-W856 HydrophobicContact CZ3-CG 4.31Å; D834-W856 HydrophobicContact CB-CZ2 3.68Å; D834-W856 PolarHBondContact OD2-NE1 3.48Å; C836-W856 HydrophobicContact CB-CH2 4.13Å; C836-W856 HydrophobicContact CB-CZ2 4.03Å; C836-W856 WeakPolarHBondContact SG-CH2 3.38Å; S854-W856 PolarHBondContact OG-N 3.1Å; S854-W856 PolarHBondContact OG-NE1 3.15Å
857	S	98.3	Very high	95.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-66.5	151.9	-173.3	176.3	0	0	0	0	112.4	W549 E632 C851 S854 L859 A860	W549-S857 PolarHBondContact NE1-O 3.08Å; E632-S857 VanDerWaalsContact OE2-CA 3.28Å; E632-S857 WeakPolarHBondContact OE2-CA 3.39Å; E632-S857 WeakPolarHBondContact OE2-CB 3.42Å; E632-S857 PolarHBondContact OE2-OG 3.31Å; C851-S857 WeakPolarHBondContact CB-OG 3.49Å; C851-S857 WeakPolarHBondContact O-CB 3.29Å; S854-S857 VanDerWaalsContact OG-CB 3.28Å; S854-S857 WeakPolarHBondContact OG-CB 3.36Å; S854-S857 PolarHBondContact OG-N 3.41Å; S857-L859 PolarHBondContact O-N 3.36Å; S857-L859 VanDerWaalsContact O-N 3.15Å; S857-L859 PolarHBondContact OG-N 3.03Å; S857-A860 VanDerWaalsContact O-CB 3.28Å; S857-A860 WeakPolarHBondContact O-CB 3.03Å; S857-A860 PolarHBondContact O-N 3.35Å
858	S	97.9	Very high	95.9	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.063	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.9	167.6	74	0	0	0	0	112.5	R258 E632	R258-S858 PolarHBondContact NH2-O 3.44Å; E632-S858 WeakPolarHBondContact OE1-CB 3.08Å; E632-S858 PolarHBondContact OE1-OG 3.17Å; E632-S858 PolarHBondContact OE2-N 2.81Å; E632-S858 PolarHBondContact OE2-OG 3.11Å
859	L	97.3	Very high	96.4	Very high	64 Å²	64	43.1 Å²	43.1	34%	0.335	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	2.5	176.6	-62.8	178.3	0	0	0	114.1	T838 C851 T852 S857	T838-L859 HydrophobicContact CG2-CD1 3.78Å; C851-L859 HydrophobicContact CB-CB 4.01Å; C851-L859 HydrophobicContact CB-CD1 4.01Å; T852-L859 WeakPolarHBondContact CA-O 3.48Å; T852-L859 HydrophobicContact CG2-CB 4.28Å; S857-L859 PolarHBondContact O-N 3.36Å; S857-L859 VanDerWaalsContact O-N 3.15Å; S857-L859 PolarHBondContact OG-N 3.03Å
860	A	96.6	Very high	96.8	Very high	9 Å²	9	44.2 Å²	44.2	7%	0.074	26%	0.258	C	S	.	.	S	Bend	trans	-66.8	146.6	172	0	0	0	0	0	110.7	W549 S854 S857 D862	W549-A860 HydrophobicContact CZ2-CB 4.37Å; S854-A860 VanDerWaalsContact O-CB 3.24Å; S854-A860 WeakPolarHBondContact O-CB 3.46Å; S857-A860 VanDerWaalsContact O-CB 3.28Å; S857-A860 WeakPolarHBondContact O-CB 3.03Å; S857-A860 PolarHBondContact O-N 3.35Å; A860-D862 PolarHBondContact O-N 3.19Å
861	P	97.1	Very high	96.9	Very high	56 Å²	56	47.5 Å²	47.5	36%	0.364	27%	0.27	S	S	.	.			trans	-57.8	137.9	176.1	-23.4	33.3	0	0	0	112	V543 A544 E866	V543-P861 HydrophobicContact CG2-CB 4.07Å; A544-P861 WeakPolarHBondContact CB-O 3.48Å; P861-E866 WeakPolarHBondContact CA-OE1 3Å
862	D	97.9	Very high	97	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	31%	0.307	C	S	.	.			trans	-136.2	70.5	-177.4	-175	19	0	0	0	111.3	R258 W549 A860 K864 S865 E866	R258-D862 WeakPolarHBondContact CD-OD2 3.28Å; R258-D862 IonicContact CZ-OD2 3.84Å; R258-D862 IonicContact NE-OD2 3.31Å; R258-D862 VanDerWaalsContact NH1-CB 3.3Å; R258-D862 IonicContact NH1-OD2 3.89Å; R258-D862 PolarHBondContact NH1-OD2 3.23Å; W549-D862 HydrophobicContact CZ3-CB 4.05Å; A860-D862 PolarHBondContact O-N 3.19Å; D862-K864 PolarHBondContact O-N 3.29Å; D862-K864 VanDerWaalsContact OD1-CG 3.27Å; D862-K864 WeakPolarHBondContact OD1-CG 3.31Å; D862-K864 IonicContact OD1-NZ 3.63Å; D862-K864 PolarHBondContact OD1-NZ 3.41Å; D862-S865 VanDerWaalsContact CG-OG 3.29Å; D862-S865 PolarHBondContact O-N 2.92Å; D862-S865 WeakPolarHBondContact OD2-CB 3.37Å; D862-S865 PolarHBondContact OD2-OG 3.43Å; D862-E866 PolarHBondContact N-OE1 3.44Å; D862-E866 WeakPolarHBondContact O-CG 3.25Å; D862-E866 PolarHBondContact O-N 2.76Å
863	P	97.4	Very high	97	Very high	33 Å²	33	51.5 Å²	51.5	21%	0.214	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.5	-167.4	-26.6	38.2	0	0	0	115.4	K265 T542	K265-P863 PolarHBondContact NZ-O 2.89Å; T542-P863 HydrophobicContact CG2-CB 3.96Å; T542-P863 HydrophobicContact CG2-CG 3.96Å
864	K	97.4	Very high	97.1	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.013	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.9	173.3	67	176.3	-169.8	-55.4	0	114	Y538 A544 I545 A547 D862	Y538-K864 HydrophobicContact CE1-CB 4.39Å; Y538-K864 HydrophobicContact CE2-CB 4.31Å; A544-K864 PolarHBondContact O-NZ 3.26Å; I545-K864 VanDerWaalsContact O-CE 3.22Å; I545-K864 WeakPolarHBondContact O-CE 3.35Å; I545-K864 PolarHBondContact O-NZ 2.88Å; A547-K864 VanDerWaalsContact O-CE 3.28Å; A547-K864 WeakPolarHBondContact O-CE 3.42Å; A547-K864 PolarHBondContact O-NZ 3.27Å; D862-K864 PolarHBondContact O-N 3.29Å; D862-K864 VanDerWaalsContact OD1-CG 3.27Å; D862-K864 WeakPolarHBondContact OD1-CG 3.31Å; D862-K864 IonicContact OD1-NZ 3.63Å; D862-K864 PolarHBondContact OD1-NZ 3.41Å
865	S	97.6	Very high	97.3	Very high	10 Å²	10	43.6 Å²	43.6	7%	0.07	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-12	175.5	82	0	0	0	0	114	R258 K261 D862	R258-S865 WeakPolarHBondContact O-CB 3.23Å; K261-S865 WeakPolarHBondContact CB-O 3.48Å; D862-S865 VanDerWaalsContact CG-OG 3.29Å; D862-S865 PolarHBondContact O-N 2.92Å; D862-S865 WeakPolarHBondContact OD2-CB 3.37Å; D862-S865 PolarHBondContact OD2-OG 3.43Å
866	E	97.5	Very high	97.4	Very high	92 Å²	92	38.5 Å²	38.5	43%	0.43	24%	0.237	S	C	.	.			trans	-65.5	135.3	169	-73.4	163.9	-166.1	0	0	112	K265 P861 D862	K265-E866 WeakPolarHBondContact CD-O 3.32Å; K265-E866 PolarHBondContact NZ-O 3.17Å; P861-E866 WeakPolarHBondContact CA-OE1 3Å; D862-E866 PolarHBondContact N-OE1 3.44Å; D862-E866 WeakPolarHBondContact O-CG 3.25Å; D862-E866 PolarHBondContact O-N 2.76Å
867	L	97.9	Very high	97.3	Very high	32 Å²	32	40 Å²	40	17%	0.168	24%	0.242	C	C	.	.			trans	-101.6	127.7	175.1	-59	-173	0	0	0	109	K261 K265 I292 Y296 I876	K261-L867 HydrophobicContact CB-CD1 4.37Å; K261-L867 HydrophobicContact CB-CD2 4.13Å; K261-L867 HydrophobicContact CB-CG 4.16Å; K261-L867 HydrophobicContact CG-CD1 4.1Å; K261-L867 HydrophobicContact CG-CG 4.24Å; K261-L867 WeakPolarHBondContact O-CD2 3.42Å; K265-L867 HydrophobicContact CB-CD2 3.92Å; K265-L867 HydrophobicContact CG-CD2 4.47Å; I292-L867 HydrophobicContact CB-CD1 4.46Å; I292-L867 HydrophobicContact CD1-CD1 4.11Å; I292-L867 HydrophobicContact CG1-CD1 3.95Å; I292-L867 HydrophobicContact CG2-CD1 3.73Å; Y296-L867 HydrophobicContact CE2-CB 4.16Å; Y296-L867 HydrophobicContact CE2-CD1 4.14Å; Y296-L867 WeakPolarHBondContact OH-CB 3.49Å; L867-I876 HydrophobicContact CD2-CD1 4.1Å
868	G	95.8	Very high	97.3	Very high	28 Å²	28	42 Å²	42	29%	0.289	26%	0.255	S	S	.	.			trans	-117.5	177.7	-172.4	0	0	0	0	0	113.8	Y296 I876	Y296-G868 PolarHBondContact OH-N 2.93Å; Y296-G868 PolarHBondContact OH-O 3.29Å; G868-I876 WeakPolarHBondContact O-CG2 3.4Å
869	P	97.7	Very high	97.3	Very high	121 Å²	121	43.7 Å²	43.7	79%	0.786	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-59.9	148	176.7	27.3	-35.3	0	0	0	111.6	K871	P869-K871 PolarHBondContact O-N 3.22Å
870	V	98.3	Very high	97.3	Very high	60 Å²	60	42.6 Å²	42.6	36%	0.364	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-63.8	125.4	177.5	-175.2	0	0	0	0	109.7	Y268 R270 Y296 I876	Y268-V870 HydrophobicContact CE1-CG1 4.25Å; Y268-V870 HydrophobicContact CE1-CG2 3.83Å; Y268-V870 WeakPolarHBondContact OH-CG2 3.28Å; R270-V870 HydrophobicContact CB-CG1 4.39Å; Y296-V870 HydrophobicContact CD1-CG2 4.04Å; Y296-V870 HydrophobicContact CE1-CG2 3.96Å; V870-I876 HydrophobicContact CG2-CG2 4.2Å
871	K	98	Very high	97.3	Very high	92 Å²	92	44.5 Å²	44.5	40%	0.4	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-74.9	169.1	179.7	-64.7	175.6	-174.9	178.6	0	111.7	R270 P869 D873 G874 R875 R877	R270-K871 PolarHBondContact NH2-O 3.08Å; R270-K871 VanDerWaalsContact NH2-O 3.13Å; P869-K871 PolarHBondContact O-N 3.22Å; K871-D873 WeakPolarHBondContact CB-OD1 3.3Å; K871-D873 PolarHBondContact O-N 3.05Å; K871-G874 PolarHBondContact O-N 3.1Å; K871-R875 WeakPolarHBondContact CB-O 3.48Å; K871-R875 PolarHBondContact N-O 2.69Å; K871-R877 PolarHBondContact NZ-O 3.2Å; K871-R877 PolarHBondContact NZ-OXT 3.07Å
872	G	97.1	Very high	97.3	Very high	77 Å²	77	43.8 Å²	43.8	79%	0.794	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.2	-179.8	0	0	0	0	0	114.7	R270	R270-G872 PolarHBondContact NH2-O 3.47Å
873	D	95.7	Very high	97.3	Very high	87 Å²	87	46.5 Å²	46.5	47%	0.465	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12	174.1	58.2	11.9	0	0	0	114.3	H269 K871 R875	H269-D873 PolarHBondContact NE2-O 3.17Å; K871-D873 WeakPolarHBondContact CB-OD1 3.3Å; K871-D873 PolarHBondContact O-N 3.05Å; D873-R875 HydrophobicContact CB-CG 4.48Å; D873-R875 WeakPolarHBondContact OD1-CB 3.39Å; D873-R875 PolarHBondContact OD1-N 2.69Å
874	G	97.1	Very high	97.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	91	3.2	-175.9	0	0	0	0	0	115.4	H269 R270 K871	H269-G874 CarbonylContact C-O 3.59Å; H269-G874 WeakPolarHBondContact CA-O 3.37Å; R270-G874 PolarHBondContact N-O 3.34Å; R270-G874 VanDerWaalsContact N-O 3.1Å; R270-G874 VanDerWaalsContact NE-CA 3.29Å; R270-G874 VanDerWaalsContact NH2-N 3.13Å; K871-G874 PolarHBondContact O-N 3.1Å
875	R	98	Very high	97.2	Very high	19 Å²	19	50.9 Å²	50.9	7%	0.072	31%	0.309	C	S	.	.			trans	-94.5	169.3	179	-54.7	-75.2	-78	148.3	-3.5	111.1	A266 Y268 Y535 K871 D873	A266-R875 PolarHBondContact O-NH1 3.21Å; A266-R875 PolarHBondContact O-NH2 3.34Å; Y268-R875 PolarHBondContact O-NH1 2.89Å; Y535-R875 PolarHBondContact OH-NH2 3.35Å; K871-R875 WeakPolarHBondContact CB-O 3.48Å; K871-R875 PolarHBondContact N-O 2.69Å; D873-R875 HydrophobicContact CB-CG 4.48Å; D873-R875 WeakPolarHBondContact OD1-CB 3.39Å; D873-R875 PolarHBondContact OD1-N 2.69Å
876	I	97.4	Very high	97.2	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.041	33%	0.329	C	S	.	.			trans	-129.5	-12.8	169.3	56.9	172.4	0	0	0	113.8	K265 Y268 Y296 L867 G868 V870	K265-I876 WeakPolarHBondContact CE-O 3.36Å; K265-I876 HydrophobicContact CG-CG1 4.25Å; Y268-I876 HydrophobicContact CD1-CB 4.39Å; Y268-I876 HydrophobicContact CD1-CD1 4.06Å; Y268-I876 HydrophobicContact CD1-CG1 3.75Å; Y268-I876 HydrophobicContact CD1-CG2 3.97Å; Y268-I876 HydrophobicContact CD2-CD1 4.2Å; Y268-I876 HydrophobicContact CE1-CG2 4.09Å; Y268-I876 HydrophobicContact CG-CD1 3.74Å; Y268-I876 HydrophobicContact CG-CG1 3.81Å; Y296-I876 HydrophobicContact CE1-CD1 4.38Å; Y296-I876 HydrophobicContact CE1-CG2 4.09Å; L867-I876 HydrophobicContact CD2-CD1 4.1Å; G868-I876 WeakPolarHBondContact O-CG2 3.4Å; V870-I876 HydrophobicContact CG2-CG2 4.2Å
877	R	96.1	Very high	97.2	Very high	36 Å²	36	50.9 Å²	50.9	14%	0.136	32%	0.319	C	S	.	.			trans	-74.8	0	160.9	177.8	54.8	174.1	73.2	0.8	109.8	K265 D531 Y535 G536 Y538 K871	K265-R877 HydrophobicContact CG-CB 3.98Å; K265-R877 WeakPolarHBondContact O-CB 3.21Å; D531-R877 IonicContact OD1-CZ 3.25Å; D531-R877 IonicContact OD1-NE 3.82Å; D531-R877 PolarHBondContact OD1-NE 2.95Å; D531-R877 VanDerWaalsContact OD1-NE 3.12Å; D531-R877 IonicContact OD1-NH2 3.91Å; D531-R877 IonicContact OD2-CZ 2.66Å; D531-R877 IonicContact OD2-NE 2.87Å; D531-R877 PolarHBondContact OD2-NE 3.4Å; D531-R877 IonicContact OD2-NH2 3.17Å; D531-R877 PolarHBondContact OD2-NH2 3.3Å; Y535-R877 VanDerWaalsContact CB-CZ 3.47Å; Y535-R877 HydrophobicContact CD2-CG 3.82Å; Y535-R877 HydrophobicContact CG-CG 3.74Å; Y535-R877 PolarHBondContact O-NH1 3.41Å; Y535-R877 PolarHBondContact O-NH2 3.03Å; G536-R877 PolarHBondContact O-NH2 3.38Å; Y538-R877 WeakPolarHBondContact OH-CD 3.47Å; Y538-R877 PolarHBondContact OH-NE 3.08Å; K871-R877 PolarHBondContact NZ-O 3.2Å; K871-R877 PolarHBondContact NZ-OXT 3.07Å

Retrieved 877 of 877 residues in 6212.1 ms (Link to these results)

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