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Alpha-1,4 glucan phosphorylase

Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis. Glycogen phosphorylase that regulates glycogen mobilization. Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known phosphorylases share catalytic and structural properties.

AlphaFold DB , UniProt , Accession A0A096NVV1, Species PAPAN (Papio anubis, Olive baboon), Gene PYGB, Length 843 aa.

						>A0A096NVV1_PAPAN|A0A096NVV1|PYGB
MAKPLTDSEKRKQISVRGLAGLGDVAEVRKSFNRHLHFTLVKDRNVATPRDYFFALAHTVRDHLVGRWIRTQQHYYERDPKRIYYLSLEFYMGRTLQNTMVNLGLQNACDEAIYQLGLDLEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKIVNGWQVEEADDWLRYGNPWEKARPEYMLPVHFYGRVEHTPDGVKWLDTQVVLAMPYDTPVPGYKNNTVNTMRLWSAKAPNDFKLQDFNVGDYIEAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTCFETFPDKVAIQLNDTHPALSIPELMRILVDVEKVDWDKAWEITKKTCAYTNHTVLPEALERWPVSMFEKLLPRHLEIIYAINQRHLDHVAALFPGDVDRLRRMSVIEEGDCKRINMAHLCVIGSHAVNGVARIHSEIVKQSVFKDFYELEPEKFQNKTNGITPRRWLLLCNPGLADTIVEKIGEEFLTDLSQLKKLLPLVNDEAFIRDVAKVKQENKLKFSAFLEKEYKVKINPSSMFDVHVKRIHEYKRQLLNCLHVITLYNRIKRDPAKAFVPRTVMIGGKAAPGYHMAKLIIKLVTSIGDVVNHDPVVGDRLKVIFLENYRVSLAEKVIPAADLSQQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGAENLFIFGLRVEDVEALDRKGYNAREYYDRLPELKQAVDQISSGFFSPKEPDCFKDVVNMLMHHDRFKVFADYEAYVQCQAQVDQLYRNPKGWTKKVIRNIACSGKFSSDRTITEYAREIWGVEPSDLQIPPPNIPRD
					

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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	35.9	Very low	40.4	Very low	242 Å²	242	118.8 Å²	118.8	100%	1.192	63%	0.631	S	S	*	*				0	122.2	0	-66.1	-179.8	-152.9	0	0	107.2
2	A	33.2	Very low	40.2	Very low	102 Å²	102	123.3 Å²	123.3	84%	0.843	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-64.1	139.1	173.2	0	0	0	0	0	108.9
3	K	31.2	Very low	40.4	Very low	195 Å²	195	123.6 Å²	123.6	85%	0.848	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-54.6	134.5	177.1	-131.7	176	-179.4	-177.4	0	108.6	L5	K3-L5 PolarHBondContact O-N 2.85Å
4	P	37.4	Very low	41	Very low	117 Å²	117	126.4 Å²	126.4	76%	0.76	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-59.6	130.3	174.6	-14.2	25.5	0	0	0	109	T6	P4-T6 PolarHBondContact O-N 3.19Å
5	L	36.5	Very low	42.3	Very low	92 Å²	92	119.5 Å²	119.5	48%	0.482	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-60.8	132	172.5	-67.7	168.4	0	0	0	108.6	K3 E9 K10	K3-L5 PolarHBondContact O-N 2.85Å; L5-E9 WeakPolarHBondContact CA-OE2 3.34Å; L5-E9 HydrophobicContact CB-CB 4.02Å; L5-E9 HydrophobicContact CD2-CB 3.77Å; L5-E9 HydrophobicContact CD2-CG 4.29Å; L5-E9 HydrophobicContact CG-CB 4.4Å; L5-K10 HydrophobicContact CB-CG 4.17Å
6	T	50.9	Low	43.3	Very low	80 Å²	80	112.5 Å²	112.5	49%	0.491	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-63.9	155.9	170.3	55.5	0	0	0	0	109.7	P4 S8 E9 K10	P4-T6 PolarHBondContact O-N 3.19Å; T6-S8 PolarHBondContact O-N 3.33Å; T6-E9 PolarHBondContact N-OE2 2.78Å; T6-E9 PolarHBondContact O-N 2.98Å; T6-E9 WeakPolarHBondContact OG1-CG 3.16Å; T6-E9 PolarHBondContact OG1-OE2 3.41Å; T6-K10 PolarHBondContact O-N 2.86Å; T6-K10 VanDerWaalsContact O-N 3.17Å
7	D	44.7	Very low	44.2	Very low	107 Å²	107	109.1 Å²	109.1	57%	0.572	56%	0.56	S	S	*	*	H	α-helix	trans	-54.9	-28.3	174	-75.7	-23.8	0	0	0	111.6	E9 K10 R11	D7-E9 VanDerWaalsContact C-N 3.33Å; D7-E9 PolarHBondContact O-N 3.31Å; D7-K10 PolarHBondContact O-N 3.18Å; D7-R11 WeakPolarHBondContact O-CB 3.42Å; D7-R11 VanDerWaalsContact O-CG 3.25Å; D7-R11 WeakPolarHBondContact O-CG 3.5Å; D7-R11 PolarHBondContact O-N 3.35Å
8	S	41.3	Very low	44.9	Very low	66 Å²	66	104.3 Å²	104.3	46%	0.462	54%	0.543	S	S	.	.	H	α-helix	trans	-60.2	-33.4	170.8	175.8	0	0	0	0	114.4	T6 K12	T6-S8 PolarHBondContact O-N 3.33Å; S8-K12 WeakPolarHBondContact O-CG 3.39Å
9	E	38.9	Very low	45.8	Very low	93 Å²	93	107.2 Å²	107.2	44%	0.435	56%	0.558	S	S	.	*	H	α-helix	trans	-89.3	-28.8	-179.1	-69.9	163.8	130.2	0	0	111.6	L5 T6 D7	L5-E9 WeakPolarHBondContact CA-OE2 3.34Å; L5-E9 HydrophobicContact CB-CB 4.02Å; L5-E9 HydrophobicContact CD2-CB 3.77Å; L5-E9 HydrophobicContact CD2-CG 4.29Å; L5-E9 HydrophobicContact CG-CB 4.4Å; T6-E9 PolarHBondContact N-OE2 2.78Å; T6-E9 PolarHBondContact O-N 2.98Å; T6-E9 WeakPolarHBondContact OG1-CG 3.16Å; T6-E9 PolarHBondContact OG1-OE2 3.41Å; D7-E9 VanDerWaalsContact C-N 3.33Å; D7-E9 PolarHBondContact O-N 3.31Å
10	K	47.7	Very low	46.6	Very low	85 Å²	85	104.2 Å²	104.2	37%	0.37	55%	0.549	S	S	.	.	H	α-helix	trans	-69.6	-41.2	172.1	-67.9	-172.5	-179.7	-173.5	0	112	L5 T6 D7 K12 Q13 E541	L5-K10 HydrophobicContact CB-CG 4.17Å; T6-K10 PolarHBondContact O-N 2.86Å; T6-K10 VanDerWaalsContact O-N 3.17Å; D7-K10 PolarHBondContact O-N 3.18Å; K10-K12 VanDerWaalsContact C-N 3.29Å; K10-K12 PolarHBondContact O-N 2.67Å; K10-Q13 PolarHBondContact O-N 2.83Å; K10-E541 IonicContact NZ-OE1 2.9Å; K10-E541 PolarHBondContact NZ-OE1 2.81Å
11	R	47.2	Very low	47.2	Very low	128 Å²	128	100.5 Å²	100.5	48%	0.483	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15	-179.5	-69	177	-174.1	-167.7	1.6	114.2	D7	D7-R11 WeakPolarHBondContact O-CB 3.42Å; D7-R11 VanDerWaalsContact O-CG 3.25Å; D7-R11 WeakPolarHBondContact O-CG 3.5Å; D7-R11 PolarHBondContact O-N 3.35Å
12	K	37.7	Very low	48.2	Very low	172 Å²	172	96.8 Å²	96.8	75%	0.748	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-6.7	173.9	-80	-178.7	-179.9	-179.9	0	114.1	S8 K10	S8-K12 WeakPolarHBondContact O-CG 3.39Å; K10-K12 VanDerWaalsContact C-N 3.29Å; K10-K12 PolarHBondContact O-N 2.67Å
13	Q	42.2	Very low	49.4	Very low	128 Å²	128	94.5 Å²	94.5	60%	0.598	51%	0.508	S	S	*	.	S	Bend	trans	-73.5	147.6	171.6	-73.8	-175	-37.3	0	0	110.2	K10 S15	K10-Q13 PolarHBondContact O-N 2.83Å; Q13-S15 VanDerWaalsContact C-N 3.3Å; Q13-S15 PolarHBondContact O-N 3.09Å
14	I	49.8	Very low	51.6	Low	162 Å²	162	88.8 Å²	88.8	83%	0.831	49%	0.486	S	S	*	.			trans	-61	90.2	-179.5	-58.2	165.6	0	0	0	108.1
15	S	59.3	Low	54	Low	24 Å²	24	83.7 Å²	83.7	17%	0.168	45%	0.453	C	S	.	.			trans	-83.4	148.7	174.2	-179.9	0	0	0	0	109.6	Q13 R17 G18 D502	Q13-S15 VanDerWaalsContact C-N 3.3Å; Q13-S15 PolarHBondContact O-N 3.09Å; S15-R17 PolarHBondContact O-N 2.83Å; S15-R17 WeakPolarHBondContact OG-CD 3.45Å; S15-R17 WeakPolarHBondContact OG-CG 3.29Å; S15-G18 PolarHBondContact O-N 3.1Å; S15-D502 WeakPolarHBondContact CA-OD1 3.39Å; S15-D502 PolarHBondContact OG-OD1 3.4Å; S15-D502 PolarHBondContact OG-OD2 3.22Å; S15-D502 VanDerWaalsContact OG-OD2 3.14Å
16	V	59.8	Low	56.6	Low	7 Å²	7	82 Å²	82	4%	0.042	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-5.5	175.5	-63.3	0	0	0	0	114.7	G18 L494 A501 D502 V505	V16-G18 PolarHBondContact O-N 3.22Å; V16-L494 HydrophobicContact CB-CD1 4.21Å; V16-L494 HydrophobicContact CG2-CD1 3.3Å; V16-A501 HydrophobicContact CG2-CB 4.36Å; V16-D502 VanDerWaalsContact CG1-OD1 3.26Å; V16-D502 WeakPolarHBondContact CG1-OD1 3.46Å; V16-D502 VanDerWaalsContact CG2-OD1 3.24Å; V16-D502 WeakPolarHBondContact CG2-OD1 3.31Å; V16-D502 PolarHBondContact N-OD1 3.25Å; V16-V505 HydrophobicContact CB-CG2 4.48Å; V16-V505 HydrophobicContact CG1-CB 3.53Å; V16-V505 HydrophobicContact CG1-CG1 3.78Å; V16-V505 HydrophobicContact CG1-CG2 3.29Å
17	R	57.4	Low	58.4	Low	54 Å²	54	83.5 Å²	83.5	20%	0.204	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	5	179.4	-67.4	173.1	172.3	-161.2	-6.6	114.7	S15 Q106 N107	S15-R17 PolarHBondContact O-N 2.83Å; S15-R17 WeakPolarHBondContact OG-CD 3.45Å; S15-R17 WeakPolarHBondContact OG-CG 3.29Å; R17-Q106 HydrophobicContact CB-CB 4.13Å; R17-Q106 HydrophobicContact CB-CG 4.27Å; R17-Q106 HydrophobicContact CG-CB 4.42Å; R17-Q106 HydrophobicContact CG-CG 4.13Å; R17-N107 VanDerWaalsContact C-ND2 3.33Å; R17-N107 WeakPolarHBondContact CB-ND2 3.29Å; R17-N107 WeakPolarHBondContact CB-OD1 3.48Å; R17-N107 PolarHBondContact O-N 2.92Å
18	G	58	Low	60.7	Low	24 Å²	24	78.5 Å²	78.5	25%	0.247	43%	0.427	C	S	.	.			trans	97.5	171.9	171.7	0	0	0	0	0	114.8	S15 V16 N107	S15-G18 PolarHBondContact O-N 3.1Å; V16-G18 PolarHBondContact O-N 3.22Å; G18-N107 PolarHBondContact O-ND2 3.46Å
19	L	60.4	Low	63.3	Low	158 Å²	158	79.9 Å²	79.9	83%	0.827	42%	0.422	S	S	*	.			trans	-89.9	131.7	174.3	-68.7	170.9	0	0	0	110	G21	L19-G21 PolarHBondContact O-N 3.18Å; L19-G21 VanDerWaalsContact O-N 3.1Å
20	A	62	Low	65.9	Low	47 Å²	47	83.3 Å²	83.3	39%	0.388	44%	0.436	S	S	.	.			trans	-77	94.3	172.5	0	0	0	0	0	109.7	V25	A20-V25 HydrophobicContact CB-CG2 4.03Å
21	G	60.8	Low	68.2	Low	27 Å²	27	79.9 Å²	79.9	28%	0.278	42%	0.423	S	S	.	.			trans	-63.5	134.8	171.4	0	0	0	0	0	110.8	L19 G23 D24 V25	L19-G21 PolarHBondContact O-N 3.18Å; L19-G21 VanDerWaalsContact O-N 3.1Å; G21-G23 PolarHBondContact O-N 2.97Å; G21-D24 PolarHBondContact O-N 2.88Å; G21-V25 PolarHBondContact O-N 2.8Å; G21-V25 VanDerWaalsContact O-N 3.12Å
22	L	54.9	Low	70.7	Confident	164 Å²	164	73.9 Å²	73.9	86%	0.859	40%	0.4	S	S	*	.	H	α-helix	trans	-56.8	-33	178.9	-74.3	168.3	0	0	0	112.7	A26	L22-A26 PolarHBondContact O-N 3.06Å
23	G	60.2	Low	73.5	Confident	55 Å²	55	68.4 Å²	68.4	57%	0.567	38%	0.379	S	S	*	.	H	α-helix	trans	-67.9	-43.4	174.6	0	0	0	0	0	113	G21 A26 E27	G21-G23 PolarHBondContact O-N 2.97Å; G23-A26 PolarHBondContact O-N 3Å; G23-E27 PolarHBondContact O-N 3.42Å
24	D	77.1	Confident	76.2	Confident	75 Å²	75	67.8 Å²	67.8	40%	0.401	37%	0.371	S	S	.	.	H	α-helix	trans	-67.1	-42.5	-177.6	-57.4	-36.6	0	0	0	111.4	G21 A26 E27 V28 A108	G21-D24 PolarHBondContact O-N 2.88Å; D24-A26 PolarHBondContact O-N 3.45Å; D24-E27 PolarHBondContact O-N 3.17Å; D24-V28 VanDerWaalsContact O-CG2 3.3Å; D24-V28 WeakPolarHBondContact O-CG2 3.44Å; D24-V28 PolarHBondContact O-N 2.83Å; D24-A108 HydrophobicContact CB-CB 4.1Å
25	V	87.9	Confident	78.5	Confident	9 Å²	9	60.7 Å²	60.7	6%	0.055	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-43.1	177.9	176.6	0	0	0	0	111.3	A20 G21 R29 A108 E111 A112	A20-V25 HydrophobicContact CB-CG2 4.03Å; G21-V25 PolarHBondContact O-N 2.8Å; G21-V25 VanDerWaalsContact O-N 3.12Å; V25-R29 WeakPolarHBondContact O-CG 3.37Å; V25-R29 PolarHBondContact O-N 3.39Å; V25-A108 HydrophobicContact CG2-CB 4.47Å; V25-E111 HydrophobicContact CG1-CG 4.08Å; V25-E111 HydrophobicContact CG2-CB 4.2Å; V25-E111 HydrophobicContact CG2-CG 4.1Å; V25-A112 HydrophobicContact CG1-CB 4.17Å
26	A	89.7	Confident	80.3	Confident	58 Å²	58	59.7 Å²	59.7	48%	0.479	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-39.9	178.3	0	0	0	0	0	112	L22 G23 D24 K30	L22-A26 PolarHBondContact O-N 3.06Å; G23-A26 PolarHBondContact O-N 3Å; D24-A26 PolarHBondContact O-N 3.45Å; A26-K30 WeakPolarHBondContact O-CB 3.31Å; A26-K30 PolarHBondContact O-N 3Å
27	E	89.8	Confident	82.1	Confident	111 Å²	111	64.6 Å²	64.6	52%	0.519	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-48	176.1	-172.9	178.4	-178	0	0	111.7	G23 D24 R29 K30 S31	G23-E27 PolarHBondContact O-N 3.42Å; D24-E27 PolarHBondContact O-N 3.17Å; E27-R29 PolarHBondContact O-N 3.35Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-K30 VanDerWaalsContact O-N 3.17Å; E27-S31 WeakPolarHBondContact O-CB 3.48Å; E27-S31 PolarHBondContact O-N 2.72Å
28	V	92.7	Very high	84	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.012	37%	0.371	C	S	.	.	H	α-helix	trans	-58.3	-47.4	177.7	172.4	0	0	0	0	110.5	D24 K30 S31 F32 T59 A112	D24-V28 VanDerWaalsContact O-CG2 3.3Å; D24-V28 WeakPolarHBondContact O-CG2 3.44Å; D24-V28 PolarHBondContact O-N 2.83Å; V28-K30 VanDerWaalsContact C-N 3.33Å; V28-K30 PolarHBondContact O-N 3.4Å; V28-S31 PolarHBondContact O-N 2.79Å; V28-F32 VanDerWaalsContact O-CB 3.23Å; V28-F32 WeakPolarHBondContact O-CB 3.25Å; V28-F32 PolarHBondContact O-N 3.15Å; V28-T59 HydrophobicContact CG1-CG2 4.08Å; V28-A112 HydrophobicContact CB-CB 3.89Å; V28-A112 HydrophobicContact CG1-CB 3.53Å
29	R	95	Very high	85.9	Confident	95 Å²	95	71.1 Å²	71.1	36%	0.358	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-42.4	176.8	-75.5	178.8	53.5	-165.3	-9.1	112.6	V25 E27 N33 A112 L116	V25-R29 WeakPolarHBondContact O-CG 3.37Å; V25-R29 PolarHBondContact O-N 3.39Å; E27-R29 PolarHBondContact O-N 3.35Å; R29-N33 PolarHBondContact O-N 3Å; R29-N33 VanDerWaalsContact O-N 3.17Å; R29-N33 PolarHBondContact O-ND2 3.27Å; R29-A112 HydrophobicContact CG-CB 3.72Å; R29-L116 HydrophobicContact CG-CD1 4.29Å; R29-L116 HydrophobicContact CG-CG 4.3Å
30	K	95.4	Very high	87.7	Confident	164 Å²	164	65.4 Å²	65.4	71%	0.713	35%	0.348	S	S	*	.	H	α-helix	trans	-66.2	-46.1	179.4	-176	-178.8	177.4	-176.6	0	110.9	A26 E27 V28 N33 R34	A26-K30 WeakPolarHBondContact O-CB 3.31Å; A26-K30 PolarHBondContact O-N 3Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-K30 VanDerWaalsContact O-N 3.17Å; V28-K30 VanDerWaalsContact C-N 3.33Å; V28-K30 PolarHBondContact O-N 3.4Å; K30-N33 PolarHBondContact O-N 3.09Å; K30-R34 WeakPolarHBondContact O-CB 3.38Å; K30-R34 PolarHBondContact O-N 2.82Å
31	S	95.8	Very high	89.4	Confident	14 Å²	14	69 Å²	69	10%	0.098	37%	0.365	C	S	.	.	H	α-helix	trans	-66.2	-40.8	179.2	-167.9	0	0	0	0	112	E27 V28 N33 R34 H35	E27-S31 WeakPolarHBondContact O-CB 3.48Å; E27-S31 PolarHBondContact O-N 2.72Å; V28-S31 PolarHBondContact O-N 2.79Å; S31-N33 PolarHBondContact O-N 2.81Å; S31-R34 WeakPolarHBondContact O-CB 3.4Å; S31-R34 PolarHBondContact O-N 3.42Å; S31-R34 VanDerWaalsContact O-N 3.16Å; S31-R34 PolarHBondContact OG-NH2 3.49Å; S31-H35 PolarHBondContact O-CD2 2.9Å; S31-H35 PolarHBondContact O-N 3.29Å
32	F	97.9	Very high	91.1	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.009	37%	0.365	C	S	.	.	H	α-helix	trans	-55.8	-52.5	174.3	179.8	-83.9	0	0	0	111.7	V28 R34 H35 L36 Y52 A55 L56 T59 I113 L116 L118	V28-F32 VanDerWaalsContact O-CB 3.23Å; V28-F32 WeakPolarHBondContact O-CB 3.25Å; V28-F32 PolarHBondContact O-N 3.15Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 2.99Å; F32-H35 PolarHBondContact O-N 2.92Å; F32-L36 HydrophobicContact CE1-CD2 4.46Å; F32-L36 WeakPolarHBondContact O-CB 3.29Å; F32-L36 PolarHBondContact O-N 3.43Å; F32-Y52 HydrophobicContact CE1-CD1 4.08Å; F32-Y52 WeakPolarHBondContact CE2-O 3.4Å; F32-Y52 AromaticContact CZ-CD1 3.7Å; F32-Y52 HydrophobicContact CZ-CD1 3.7Å; F32-Y52 HydrophobicContact CZ-CG 4.25Å; F32-A55 HydrophobicContact CD2-CB 3.95Å; F32-A55 HydrophobicContact CE1-CB 4.42Å; F32-A55 HydrophobicContact CE2-CB 3.77Å; F32-A55 HydrophobicContact CG-CB 4.37Å; F32-A55 HydrophobicContact CZ-CB 4.03Å; F32-L56 HydrophobicContact CD2-CB 4.09Å; F32-L56 HydrophobicContact CE2-CB 3.98Å; F32-T59 VanDerWaalsContact CA-OG1 3.23Å; F32-T59 WeakPolarHBondContact CA-OG1 3.28Å; F32-T59 PolarHBondContact N-OG1 3.37Å; F32-I113 HydrophobicContact CD2-CD1 3.66Å; F32-I113 HydrophobicContact CE2-CD1 3.51Å; F32-I113 HydrophobicContact CG-CD1 4.45Å; F32-I113 HydrophobicContact CZ-CD1 4.2Å; F32-L116 HydrophobicContact CB-CD1 4.37Å; F32-L116 HydrophobicContact CD1-CD1 3.54Å; F32-L116 HydrophobicContact CE1-CD1 3.91Å; F32-L116 HydrophobicContact CG-CD1 3.94Å; F32-L118 HydrophobicContact CE1-CD1 4.32Å; F32-L118 HydrophobicContact CZ-CD1 3.77Å
33	N	97.3	Very high	93	Very high	57 Å²	57	66.3 Å²	66.3	31%	0.305	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-35.4	178.3	-74	-61.1	0	0	0	112	R29 K30 S31 L36 H37	R29-N33 PolarHBondContact O-N 3Å; R29-N33 VanDerWaalsContact O-N 3.17Å; R29-N33 PolarHBondContact O-ND2 3.27Å; K30-N33 PolarHBondContact O-N 3.09Å; S31-N33 PolarHBondContact O-N 2.81Å; N33-L36 PolarHBondContact O-N 3.39Å; N33-H37 WeakPolarHBondContact O-CB 3.45Å; N33-H37 PolarHBondContact O-N 2.99Å
34	R	98.1	Very high	94.6	Very high	114 Å²	114	69.7 Å²	69.7	43%	0.43	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-46.8	174.1	-177	-170.4	64.8	158	2.2	111	K30 S31 F32 H37 F38 D62	K30-R34 WeakPolarHBondContact O-CB 3.38Å; K30-R34 PolarHBondContact O-N 2.82Å; S31-R34 WeakPolarHBondContact O-CB 3.4Å; S31-R34 PolarHBondContact O-N 3.42Å; S31-R34 VanDerWaalsContact O-N 3.16Å; S31-R34 PolarHBondContact OG-NH2 3.49Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 2.99Å; R34-H37 PolarHBondContact O-N 3.33Å; R34-F38 HydrophobicContact CB-CD2 4.46Å; R34-F38 HydrophobicContact CG-CD2 3.69Å; R34-F38 HydrophobicContact CG-CE2 4.23Å; R34-F38 WeakPolarHBondContact O-CB 3.34Å; R34-F38 WeakPolarHBondContact O-CD2 3.34Å; R34-F38 PolarHBondContact O-N 3.17Å; R34-D62 IonicContact CZ-OD2 2.95Å; R34-D62 IonicContact NH2-OD2 3.12Å; R34-D62 PolarHBondContact NH2-OD2 2.91Å
35	H	98.4	Very high	95.4	Very high	13 Å²	13	73.4 Å²	73.4	6%	0.06	36%	0.358	C	S	.	.	I	π-helix	trans	-69.1	-40.3	178.3	-75.5	-63.9	0	0	0	112.4	S31 F32 H37 T39 L40 A55 H58 D62	S31-H35 PolarHBondContact O-CD2 2.9Å; S31-H35 PolarHBondContact O-N 3.29Å; F32-H35 PolarHBondContact O-N 2.92Å; H35-H37 VanDerWaalsContact C-N 3.26Å; H35-H37 PolarHBondContact O-N 3.16Å; H35-T39 PolarHBondContact ND1-OG1 3.23Å; H35-T39 CarbonylContact O-C 3.51Å; H35-T39 WeakPolarHBondContact O-CA 3.43Å; H35-T39 WeakPolarHBondContact O-CB 3.28Å; H35-T39 PolarHBondContact O-N 3.46Å; H35-L40 PolarHBondContact O-N 2.83Å; H35-A55 HydrophobicContact CB-CB 4.41Å; H35-H58 HydrophobicContact CB-CB 4.16Å; H35-D62 IonicContact CE1-OD2 2.69Å; H35-D62 IonicContact NE2-OD2 3.86Å; H35-D62 PolarHBondContact NE2-OD2 3.3Å
36	L	98	Very high	95.8	Very high	4 Å²	4	76.9 Å²	76.9	2%	0.021	38%	0.379	C	S	.	.	I	π-helix	trans	-55.8	-44.9	174.1	-173.3	65.3	0	0	0	111.2	F32 N33 L40 V41 K42 R44 A47 D51 Y52 A55	F32-L36 HydrophobicContact CE1-CD2 4.46Å; F32-L36 WeakPolarHBondContact O-CB 3.29Å; F32-L36 PolarHBondContact O-N 3.43Å; N33-L36 PolarHBondContact O-N 3.39Å; L36-L40 HydrophobicContact CD1-CD1 4.23Å; L36-V41 PolarHBondContact O-N 3.46Å; L36-K42 CarbonylContact C-O 3.55Å; L36-K42 HydrophobicContact CD1-CB 3.84Å; L36-K42 HydrophobicContact CG-CB 4.21Å; L36-K42 PolarHBondContact O-N 3.02Å; L36-R44 HydrophobicContact CD2-CG 4.26Å; L36-A47 HydrophobicContact CD1-CB 3.98Å; L36-D51 HydrophobicContact CD1-CB 4.22Å; L36-Y52 HydrophobicContact CD1-CD1 4.17Å; L36-Y52 HydrophobicContact CD1-CE1 4.3Å; L36-Y52 HydrophobicContact CD2-CD1 4.28Å; L36-Y52 HydrophobicContact CD2-CE1 3.88Å; L36-A55 HydrophobicContact CB-CB 4.13Å; L36-A55 HydrophobicContact CD1-CB 4.44Å
37	H	97.4	Very high	96.2	Very high	109 Å²	109	75 Å²	75	51%	0.505	36%	0.363	S	S	.	.	I	π-helix	trans	-77.8	-52.8	-177.9	-168.4	71.3	0	0	0	113.7	N33 R34 H35 V41	N33-H37 WeakPolarHBondContact O-CB 3.45Å; N33-H37 PolarHBondContact O-N 2.99Å; R34-H37 PolarHBondContact O-N 3.33Å; H35-H37 VanDerWaalsContact C-N 3.26Å; H35-H37 PolarHBondContact O-N 3.16Å; H37-V41 VanDerWaalsContact O-CA 3.29Å; H37-V41 WeakPolarHBondContact O-CA 3.42Å; H37-V41 PolarHBondContact O-N 3.49Å
38	F	97.9	Very high	96.6	Very high	150 Å²	150	72.7 Å²	72.7	66%	0.658	36%	0.357	S	S	*	.	I	π-helix	trans	-94.4	-29	-169.7	-64.4	-71.9	0	0	0	114.2	R34	R34-F38 HydrophobicContact CB-CD2 4.46Å; R34-F38 HydrophobicContact CG-CD2 3.69Å; R34-F38 HydrophobicContact CG-CE2 4.23Å; R34-F38 WeakPolarHBondContact O-CB 3.34Å; R34-F38 WeakPolarHBondContact O-CD2 3.34Å; R34-F38 PolarHBondContact O-N 3.17Å
39	T	97.5	Very high	96.9	Very high	66 Å²	66	75.7 Å²	75.7	41%	0.405	38%	0.376	S	S	.	.	I	π-helix	trans	-90.3	-44.1	179.9	-53.6	0	0	0	0	111.1	H35	H35-T39 PolarHBondContact ND1-OG1 3.23Å; H35-T39 CarbonylContact O-C 3.51Å; H35-T39 WeakPolarHBondContact O-CA 3.43Å; H35-T39 WeakPolarHBondContact O-CB 3.28Å; H35-T39 PolarHBondContact O-N 3.46Å
40	L	97.8	Very high	97	Very high	37 Å²	37	74.3 Å²	74.3	19%	0.194	37%	0.371	C	S	.	.	S	Bend	trans	-95.6	-12.5	-176.6	-55.7	-179.5	0	0	0	113.6	H35 L36 K42 D51 F54 A55	H35-L40 PolarHBondContact O-N 2.83Å; L36-L40 HydrophobicContact CD1-CD1 4.23Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 HydrophobicContact CB-CG 4.08Å; L40-K42 PolarHBondContact O-N 3.33Å; L40-D51 HydrophobicContact CD1-CB 4.2Å; L40-D51 WeakPolarHBondContact CD1-O 3.33Å; L40-F54 HydrophobicContact CD1-CB 3.82Å; L40-F54 HydrophobicContact CD2-CB 3.81Å; L40-F54 HydrophobicContact CG-CB 4.45Å; L40-A55 HydrophobicContact CD1-CB 3.97Å
41	V	98.1	Very high	97.2	Very high	122 Å²	122	67.5 Å²	67.5	74%	0.739	34%	0.343	S	S	*	.			trans	57.3	47.3	-179	-163.1	0	0	0	0	110.5	L36 H37	L36-V41 PolarHBondContact O-N 3.46Å; H37-V41 VanDerWaalsContact O-CA 3.29Å; H37-V41 WeakPolarHBondContact O-CA 3.42Å; H37-V41 PolarHBondContact O-N 3.49Å
42	K	97.1	Very high	97.3	Very high	62 Å²	62	68 Å²	68	27%	0.27	34%	0.343	S	S	.	.			trans	-124.3	147.1	179.9	-65.2	-68.8	-175	155.2	0	111.3	L36 L40 V46 A47 D51	L36-K42 CarbonylContact C-O 3.55Å; L36-K42 HydrophobicContact CD1-CB 3.84Å; L36-K42 HydrophobicContact CG-CB 4.21Å; L36-K42 PolarHBondContact O-N 3.02Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 HydrophobicContact CB-CG 4.08Å; L40-K42 PolarHBondContact O-N 3.33Å; K42-V46 HydrophobicContact CD-CG2 4.09Å; K42-A47 HydrophobicContact CB-CB 4.4Å; K42-D51 WeakPolarHBondContact CE-OD1 3.35Å; K42-D51 HydrophobicContact CG-CB 4.3Å; K42-D51 IonicContact NZ-OD2 3.61Å
43	D	94.8	Very high	97.3	Very high	74 Å²	74	68.2 Å²	68.2	40%	0.396	34%	0.343	S	S	.	.			trans	-104.5	168.3	158.6	73.1	73.4	0	0	0	110.3	N45 V46 A47	D43-N45 PolarHBondContact O-N 3.44Å; D43-N45 WeakPolarHBondContact OD1-CA 3.41Å; D43-N45 WeakPolarHBondContact OD1-CB 3.48Å; D43-N45 PolarHBondContact OD1-N 3.27Å; D43-N45 PolarHBondContact OD1-ND2 3.42Å; D43-V46 PolarHBondContact O-N 2.88Å; D43-A47 WeakPolarHBondContact O-CB 3.49Å; D43-A47 PolarHBondContact O-N 3.34Å
44	R	92.3	Very high	97.4	Very high	126 Å²	126	66.6 Å²	66.6	48%	0.475	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.5	-174	-61.1	-165.4	71.1	-174	2.4	114.3	L36 Y52 L116	L36-R44 HydrophobicContact CD2-CG 4.26Å; R44-Y52 PolarHBondContact O-OH 3.4Å; R44-L116 PolarHBondContact NH2-O 2.98Å
45	N	94.9	Very high	97.4	Very high	152 Å²	152	61.2 Å²	61.2	81%	0.813	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-27.3	-177.7	-50.9	-64.3	0	0	0	112.3	D43	D43-N45 PolarHBondContact O-N 3.44Å; D43-N45 WeakPolarHBondContact OD1-CA 3.41Å; D43-N45 WeakPolarHBondContact OD1-CB 3.48Å; D43-N45 PolarHBondContact OD1-N 3.27Å; D43-N45 PolarHBondContact OD1-ND2 3.42Å
46	V	96.9	Very high	97.4	Very high	83 Å²	83	60.6 Å²	60.6	50%	0.503	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-0.2	-176.5	-60.9	0	0	0	0	113.4	K42 D43	K42-V46 HydrophobicContact CD-CG2 4.09Å; D43-V46 PolarHBondContact O-N 2.88Å
47	A	97.5	Very high	97.4	Very high	17 Å²	17	60.4 Å²	60.4	14%	0.14	31%	0.309	C	S	.	.			trans	-74.6	128.5	178.9	0	0	0	0	0	111.2	L36 K42 D43 D51 Y52	L36-A47 HydrophobicContact CD1-CB 3.98Å; K42-A47 HydrophobicContact CB-CB 4.4Å; D43-A47 WeakPolarHBondContact O-CB 3.49Å; D43-A47 PolarHBondContact O-N 3.34Å; A47-D51 HydrophobicContact CB-CB 4.24Å; A47-Y52 HydrophobicContact CB-CD1 4.22Å; A47-Y52 HydrophobicContact CB-CE1 3.51Å; A47-Y52 HydrophobicContact CB-CE2 4.22Å
48	T	98.1	Very high	97.5	Very high	64 Å²	64	56.8 Å²	56.8	39%	0.393	29%	0.293	S	S	.	.			trans	-91.7	166.5	175.4	66.5	0	0	0	0	110.7	R50 D51 Y52	T48-R50 PolarHBondContact O-N 3.42Å; T48-R50 VanDerWaalsContact O-N 3.15Å; T48-D51 WeakPolarHBondContact CB-OD2 3.35Å; T48-D51 PolarHBondContact N-OD2 3.31Å; T48-D51 WeakPolarHBondContact O-CB 3.49Å; T48-D51 PolarHBondContact O-N 2.85Å; T48-D51 PolarHBondContact OG1-N 3.17Å; T48-D51 PolarHBondContact OG1-OD2 3.05Å; T48-Y52 WeakPolarHBondContact O-CD2 3.25Å; T48-Y52 PolarHBondContact O-N 3.39Å; T48-Y52 VanDerWaalsContact O-N 3.09Å
49	P	97.9	Very high	97.5	Very high	64 Å²	64	49.7 Å²	49.7	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-52.5	-35.5	172.3	-28.4	36.6	0	0	0	113.3	Y52 F53 L123 I126	P49-Y52 PolarHBondContact O-N 2.9Å; P49-F53 PolarHBondContact O-N 3.05Å; P49-L123 WeakPolarHBondContact O-CD2 3.24Å; P49-I126 HydrophobicContact CB-CD1 3.42Å; P49-I126 VanDerWaalsContact CB-CD1 3.42Å; P49-I126 VanDerWaalsContact O-CD1 3.25Å; P49-I126 WeakPolarHBondContact O-CD1 3.31Å
50	R	98.3	Very high	97.4	Very high	66 Å²	66	46.5 Å²	46.5	25%	0.249	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-40.1	176.6	-174.8	175.8	-65.3	-80.3	0.9	112.3	T48 Y52 F53 F54 I126 Y186	T48-R50 PolarHBondContact O-N 3.42Å; T48-R50 VanDerWaalsContact O-N 3.15Å; R50-Y52 VanDerWaalsContact C-N 3.32Å; R50-Y52 PolarHBondContact O-N 3.05Å; R50-F53 PolarHBondContact O-N 2.92Å; R50-F54 HydrophobicContact CG-CD2 3.89Å; R50-F54 HydrophobicContact CG-CE2 3.74Å; R50-F54 VanDerWaalsContact O-CD2 3.28Å; R50-F54 WeakPolarHBondContact O-CD2 3.23Å; R50-F54 PolarHBondContact O-N 3.35Å; R50-I126 HydrophobicContact CB-CG2 4.17Å; R50-I126 HydrophobicContact CG-CG2 4.19Å; R50-Y186 VanDerWaalsContact CZ-CD2 3.42Å; R50-Y186 VanDerWaalsContact CZ-CE2 3.42Å
51	D	98.4	Very high	97.4	Very high	22 Å²	22	47.3 Å²	47.3	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-42.6	174.5	-59.6	-59.3	0	0	0	110.5	L36 L40 K42 A47 T48 F53 F54 A55	L36-D51 HydrophobicContact CD1-CB 4.22Å; L40-D51 HydrophobicContact CD1-CB 4.2Å; L40-D51 WeakPolarHBondContact CD1-O 3.33Å; K42-D51 WeakPolarHBondContact CE-OD1 3.35Å; K42-D51 HydrophobicContact CG-CB 4.3Å; K42-D51 IonicContact NZ-OD2 3.61Å; A47-D51 HydrophobicContact CB-CB 4.24Å; T48-D51 WeakPolarHBondContact CB-OD2 3.35Å; T48-D51 PolarHBondContact N-OD2 3.31Å; T48-D51 WeakPolarHBondContact O-CB 3.49Å; T48-D51 PolarHBondContact O-N 2.85Å; T48-D51 PolarHBondContact OG1-N 3.17Å; T48-D51 PolarHBondContact OG1-OD2 3.05Å; D51-F53 PolarHBondContact O-N 2.91Å; D51-F54 PolarHBondContact O-N 3.41Å; D51-A55 WeakPolarHBondContact O-CB 3.46Å; D51-A55 PolarHBondContact O-N 2.95Å
52	Y	98.4	Very high	97.2	Very high	25 Å²	25	44.3 Å²	44.3	10%	0.098	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-40.1	176.2	-62.7	-44.9	0	0	0	113	F32 L36 R44 A47 T48 P49 R50 A55 L56 L118	F32-Y52 HydrophobicContact CE1-CD1 4.08Å; F32-Y52 WeakPolarHBondContact CE2-O 3.4Å; F32-Y52 AromaticContact CZ-CD1 3.7Å; F32-Y52 HydrophobicContact CZ-CD1 3.7Å; F32-Y52 HydrophobicContact CZ-CG 4.25Å; L36-Y52 HydrophobicContact CD1-CD1 4.17Å; L36-Y52 HydrophobicContact CD1-CE1 4.3Å; L36-Y52 HydrophobicContact CD2-CD1 4.28Å; L36-Y52 HydrophobicContact CD2-CE1 3.88Å; R44-Y52 PolarHBondContact O-OH 3.4Å; A47-Y52 HydrophobicContact CB-CD1 4.22Å; A47-Y52 HydrophobicContact CB-CE1 3.51Å; A47-Y52 HydrophobicContact CB-CE2 4.22Å; T48-Y52 WeakPolarHBondContact O-CD2 3.25Å; T48-Y52 PolarHBondContact O-N 3.39Å; T48-Y52 VanDerWaalsContact O-N 3.09Å; P49-Y52 PolarHBondContact O-N 2.9Å; R50-Y52 VanDerWaalsContact C-N 3.32Å; R50-Y52 PolarHBondContact O-N 3.05Å; Y52-A55 PolarHBondContact O-N 3.05Å; Y52-L56 PolarHBondContact O-N 3.3Å; Y52-L118 HydrophobicContact CD1-CD1 3.9Å; Y52-L118 HydrophobicContact CD2-CD1 4.04Å; Y52-L118 HydrophobicContact CD2-CD2 3.63Å; Y52-L118 HydrophobicContact CE1-CD1 4.36Å; Y52-L118 HydrophobicContact CE2-CD2 3.71Å; Y52-L118 HydrophobicContact CG-CD1 3.72Å; Y52-L118 HydrophobicContact CG-CD2 4.2Å
53	F	98.6	Very high	97	Very high	6 Å²	6	43 Å²	43	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-57.2	-51.2	171.7	156.8	-101.8	0	0	0	111.4	P49 R50 D51 A55 L56 A57 L96 I126 E127 P189	P49-F53 PolarHBondContact O-N 3.05Å; R50-F53 PolarHBondContact O-N 2.92Å; D51-F53 PolarHBondContact O-N 2.91Å; F53-A55 VanDerWaalsContact C-N 3.32Å; F53-A55 PolarHBondContact O-N 3.18Å; F53-L56 PolarHBondContact O-N 3.05Å; F53-A57 HydrophobicContact CE2-CB 4.23Å; F53-A57 HydrophobicContact CZ-CB 4.25Å; F53-A57 WeakPolarHBondContact O-CB 3.23Å; F53-A57 PolarHBondContact O-N 3.44Å; F53-L96 HydrophobicContact CD2-CD2 3.99Å; F53-L96 HydrophobicContact CE2-CD2 4.01Å; F53-I126 HydrophobicContact CB-CB 4.18Å; F53-I126 HydrophobicContact CB-CD1 4.26Å; F53-I126 HydrophobicContact CB-CG2 4.17Å; F53-I126 HydrophobicContact CD1-CG2 4.22Å; F53-I126 HydrophobicContact CG-CB 4.31Å; F53-I126 HydrophobicContact CG-CG2 4.23Å; F53-E127 HydrophobicContact CD2-CB 4.34Å; F53-E127 HydrophobicContact CE2-CB 3.57Å; F53-E127 HydrophobicContact CE2-CG 3.84Å; F53-E127 HydrophobicContact CZ-CB 3.83Å; F53-E127 HydrophobicContact CZ-CG 3.75Å; F53-P189 HydrophobicContact CZ-CG 4.43Å
54	F	98.6	Very high	97	Very high	23 Å²	23	39.6 Å²	39.6	10%	0.101	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-38	-179.5	-83.7	-72.1	0	0	0	112.3	L40 R50 D51 L56 A57 H58 Y186 P189	L40-F54 HydrophobicContact CD1-CB 3.82Å; L40-F54 HydrophobicContact CD2-CB 3.81Å; L40-F54 HydrophobicContact CG-CB 4.45Å; R50-F54 HydrophobicContact CG-CD2 3.89Å; R50-F54 HydrophobicContact CG-CE2 3.74Å; R50-F54 VanDerWaalsContact O-CD2 3.28Å; R50-F54 WeakPolarHBondContact O-CD2 3.23Å; R50-F54 PolarHBondContact O-N 3.35Å; D51-F54 PolarHBondContact O-N 3.41Å; F54-L56 VanDerWaalsContact C-N 3.31Å; F54-L56 PolarHBondContact O-N 3.4Å; F54-A57 PolarHBondContact O-N 3.42Å; F54-H58 PolarHBondContact O-CD2 3.08Å; F54-H58 PolarHBondContact O-N 3.12Å; F54-Y186 WeakPolarHBondContact CZ-O 3.29Å; F54-P189 HydrophobicContact CD1-CB 4.19Å; F54-P189 HydrophobicContact CD1-CG 4.19Å; F54-P189 HydrophobicContact CE1-CB 4.33Å; F54-P189 HydrophobicContact CE1-CG 4.11Å
55	A	98.5	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176.2	0	0	0	0	0	111.3	F32 H35 L36 L40 D51 Y52 F53 T59	F32-A55 HydrophobicContact CD2-CB 3.95Å; F32-A55 HydrophobicContact CE1-CB 4.42Å; F32-A55 HydrophobicContact CE2-CB 3.77Å; F32-A55 HydrophobicContact CG-CB 4.37Å; F32-A55 HydrophobicContact CZ-CB 4.03Å; H35-A55 HydrophobicContact CB-CB 4.41Å; L36-A55 HydrophobicContact CB-CB 4.13Å; L36-A55 HydrophobicContact CD1-CB 4.44Å; L40-A55 HydrophobicContact CD1-CB 3.97Å; D51-A55 WeakPolarHBondContact O-CB 3.46Å; D51-A55 PolarHBondContact O-N 2.95Å; Y52-A55 PolarHBondContact O-N 3.05Å; F53-A55 VanDerWaalsContact C-N 3.32Å; F53-A55 PolarHBondContact O-N 3.18Å; A55-T59 WeakPolarHBondContact O-CB 3.46Å; A55-T59 PolarHBondContact O-N 2.76Å; A55-T59 VanDerWaalsContact O-N 3.07Å; A55-T59 PolarHBondContact O-OG1 2.94Å
56	L	98.5	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-45.2	174.5	178.1	59.2	0	0	0	112	F32 Y52 F53 F54 H58 T59 V60 L96 C109 I113 L120 L123	F32-L56 HydrophobicContact CD2-CB 4.09Å; F32-L56 HydrophobicContact CE2-CB 3.98Å; Y52-L56 PolarHBondContact O-N 3.3Å; F53-L56 PolarHBondContact O-N 3.05Å; F54-L56 VanDerWaalsContact C-N 3.31Å; F54-L56 PolarHBondContact O-N 3.4Å; L56-H58 VanDerWaalsContact C-N 3.34Å; L56-H58 PolarHBondContact O-N 3.1Å; L56-T59 WeakPolarHBondContact O-CB 3.17Å; L56-T59 PolarHBondContact O-N 2.93Å; L56-T59 VanDerWaalsContact O-N 3.11Å; L56-V60 HydrophobicContact CD1-CG2 3.93Å; L56-V60 HydrophobicContact CG-CG2 4.42Å; L56-V60 WeakPolarHBondContact O-CG2 3.3Å; L56-V60 PolarHBondContact O-N 2.78Å; L56-L96 HydrophobicContact CD2-CD2 3.98Å; L56-L96 HydrophobicContact CG-CD1 4.21Å; L56-L96 HydrophobicContact CG-CD2 4.36Å; L56-C109 HydrophobicContact CD1-CB 4.45Å; L56-I113 HydrophobicContact CB-CD1 4.49Å; L56-I113 HydrophobicContact CD1-CD1 4.12Å; L56-I113 HydrophobicContact CD1-CG1 4.25Å; L56-I113 HydrophobicContact CD2-CD1 4.24Å; L56-I113 HydrophobicContact CD2-CG1 4.22Å; L56-L120 HydrophobicContact CD2-CD1 3.39Å; L56-L123 HydrophobicContact CD2-CD1 4.2Å
57	A	98.4	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-43.9	178.9	0	0	0	0	0	112	F53 F54 V60 R61 P189 W190	F53-A57 HydrophobicContact CE2-CB 4.23Å; F53-A57 HydrophobicContact CZ-CB 4.25Å; F53-A57 WeakPolarHBondContact O-CB 3.23Å; F53-A57 PolarHBondContact O-N 3.44Å; F54-A57 PolarHBondContact O-N 3.42Å; A57-V60 PolarHBondContact O-N 3.03Å; A57-R61 WeakPolarHBondContact O-CB 3.41Å; A57-R61 PolarHBondContact O-N 3.33Å; A57-P189 HydrophobicContact CB-CB 4.09Å; A57-P189 HydrophobicContact CB-CG 3.78Å; A57-W190 HydrophobicContact CB-CH2 4.31Å; A57-W190 HydrophobicContact CB-CZ2 3.96Å
58	H	98.4	Very high	96.7	Very high	34 Å²	34	28.1 Å²	28.1	16%	0.157	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-40.7	173.8	-77.2	-62.6	0	0	0	112.5	H35 F54 L56 R61 D62	H35-H58 HydrophobicContact CB-CB 4.16Å; F54-H58 PolarHBondContact O-CD2 3.08Å; F54-H58 PolarHBondContact O-N 3.12Å; L56-H58 VanDerWaalsContact C-N 3.34Å; L56-H58 PolarHBondContact O-N 3.1Å; H58-R61 PolarHBondContact O-N 3.35Å; H58-D62 PolarHBondContact O-N 3.5Å
59	T	97.6	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-50.5	175.8	-60.8	0	0	0	0	111.4	V28 F32 A55 L56 D62 H63	V28-T59 HydrophobicContact CG1-CG2 4.08Å; F32-T59 VanDerWaalsContact CA-OG1 3.23Å; F32-T59 WeakPolarHBondContact CA-OG1 3.28Å; F32-T59 PolarHBondContact N-OG1 3.37Å; A55-T59 WeakPolarHBondContact O-CB 3.46Å; A55-T59 PolarHBondContact O-N 2.76Å; A55-T59 VanDerWaalsContact O-N 3.07Å; A55-T59 PolarHBondContact O-OG1 2.94Å; L56-T59 WeakPolarHBondContact O-CB 3.17Å; L56-T59 PolarHBondContact O-N 2.93Å; L56-T59 VanDerWaalsContact O-N 3.11Å; T59-D62 PolarHBondContact O-N 2.96Å; T59-H63 PolarHBondContact O-CD2 3.23Å
60	V	96.6	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-40.4	179.1	173.5	0	0	0	0	111.3	L56 A57 D62 H63 L96 T99 M100 W190	L56-V60 HydrophobicContact CD1-CG2 3.93Å; L56-V60 HydrophobicContact CG-CG2 4.42Å; L56-V60 WeakPolarHBondContact O-CG2 3.3Å; L56-V60 PolarHBondContact O-N 2.78Å; A57-V60 PolarHBondContact O-N 3.03Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 2.91Å; V60-H63 PolarHBondContact O-N 3.14Å; V60-L96 HydrophobicContact CB-CD1 4.19Å; V60-L96 HydrophobicContact CG1-CD1 4.45Å; V60-L96 HydrophobicContact CG2-CD1 3.95Å; V60-T99 HydrophobicContact CG1-CG2 3.45Å; V60-T99 VanDerWaalsContact CG1-CG2 3.45Å; V60-M100 HydrophobicContact CG1-CG 4.04Å; V60-M100 HydrophobicContact CG2-CG 3.86Å; V60-M100 HydrophobicContact CG2-SD 4.21Å; V60-W190 HydrophobicContact CB-CH2 4.37Å; V60-W190 HydrophobicContact CG1-CH2 4.21Å; V60-W190 HydrophobicContact CG1-CZ3 4.48Å
61	R	97.1	Very high	96.1	Very high	53 Å²	53	25.6 Å²	25.6	20%	0.2	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-37.3	177.2	174.1	175.1	171.1	-83	9.4	112.9	A57 H58 H63 L64 V65 P189 W190	A57-R61 WeakPolarHBondContact O-CB 3.41Å; A57-R61 PolarHBondContact O-N 3.33Å; H58-R61 PolarHBondContact O-N 3.35Å; R61-H63 PolarHBondContact O-N 2.84Å; R61-L64 WeakPolarHBondContact O-CA 3.32Å; R61-L64 WeakPolarHBondContact O-CB 3.16Å; R61-L64 PolarHBondContact O-N 3.12Å; R61-V65 HydrophobicContact CG-CG2 4.44Å; R61-V65 PolarHBondContact O-N 3.28Å; R61-P189 WeakPolarHBondContact CD-O 3.47Å; R61-P189 PolarHBondContact NE-O 3.23Å; R61-P189 VanDerWaalsContact NE-O 3.15Å; R61-W190 HydrophobicContact CB-CE3 4.32Å; R61-W190 HydrophobicContact CB-CZ3 4Å
62	D	95.3	Very high	95.9	Very high	60 Å²	60	26.2 Å²	26.2	32%	0.321	13%	0.129	S	C	.	.	H	α-helix	trans	-58.3	-33.2	178.8	-85.6	9.7	0	0	0	112.1	R34 H35 H58 T59 V60 L64 V65	R34-D62 IonicContact CZ-OD2 2.95Å; R34-D62 IonicContact NH2-OD2 3.12Å; R34-D62 PolarHBondContact NH2-OD2 2.91Å; H35-D62 IonicContact CE1-OD2 2.69Å; H35-D62 IonicContact NE2-OD2 3.86Å; H35-D62 PolarHBondContact NE2-OD2 3.3Å; H58-D62 PolarHBondContact O-N 3.5Å; T59-D62 PolarHBondContact O-N 2.96Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 2.91Å; D62-L64 VanDerWaalsContact C-N 3.28Å; D62-L64 PolarHBondContact O-N 3.2Å; D62-V65 PolarHBondContact O-N 3.31Å
63	H	92.9	Very high	95.5	Very high	35 Å²	35	27 Å²	27	16%	0.162	13%	0.134	C	C	.	.	H	α-helix	trans	-69.9	-20.7	174.5	-64.3	-88.2	0	0	0	113.6	T59 V60 R61 R67 L103 L105	T59-H63 PolarHBondContact O-CD2 3.23Å; V60-H63 PolarHBondContact O-N 3.14Å; R61-H63 PolarHBondContact O-N 2.84Å; H63-R67 PolarHBondContact O-NH1 3.24Å; H63-L103 HydrophobicContact CB-CD1 3.88Å; H63-L105 HydrophobicContact CB-CD1 3.88Å
64	L	93.7	Very high	95.2	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-80.4	-38.2	173.5	-70.1	174.2	0	0	0	112.6	R61 D62 G66 R67 W68 T99 L103 W190 P230 P232 V239	R61-L64 WeakPolarHBondContact O-CA 3.32Å; R61-L64 WeakPolarHBondContact O-CB 3.16Å; R61-L64 PolarHBondContact O-N 3.12Å; D62-L64 VanDerWaalsContact C-N 3.28Å; D62-L64 PolarHBondContact O-N 3.2Å; L64-G66 PolarHBondContact O-N 3.12Å; L64-R67 PolarHBondContact O-N 3.29Å; L64-R67 VanDerWaalsContact O-N 3.09Å; L64-W68 WeakPolarHBondContact O-CB 3.33Å; L64-W68 PolarHBondContact O-N 3.48Å; L64-T99 HydrophobicContact CD1-CG2 3.53Å; L64-T99 HydrophobicContact CD2-CG2 3.98Å; L64-T99 HydrophobicContact CG-CG2 3.77Å; L64-L103 HydrophobicContact CD2-CD1 3.87Å; L64-L103 HydrophobicContact CD2-CD2 3.99Å; L64-L103 HydrophobicContact CD2-CG 4.18Å; L64-L103 HydrophobicContact CG-CD1 4.08Å; L64-W190 HydrophobicContact CD1-CZ3 4.44Å; L64-P230 HydrophobicContact CD1-CB 4.2Å; L64-P230 HydrophobicContact CD1-CG 3.76Å; L64-P232 HydrophobicContact CD2-CB 3.68Å; L64-P232 HydrophobicContact CD2-CG 3.97Å; L64-V239 HydrophobicContact CD2-CG2 4.07Å
65	V	93.8	Very high	95	Very high	50 Å²	50	27.9 Å²	27.9	30%	0.303	14%	0.138	S	C	.	.	H	α-helix	trans	-57	-46.9	-168.6	173	0	0	0	0	112	R61 D62 R67 W68 I69	R61-V65 HydrophobicContact CG-CG2 4.44Å; R61-V65 PolarHBondContact O-N 3.28Å; D62-V65 PolarHBondContact O-N 3.31Å; V65-R67 PolarHBondContact O-N 3.36Å; V65-W68 PolarHBondContact O-N 2.82Å; V65-I69 HydrophobicContact CG1-CD1 3.97Å; V65-I69 WeakPolarHBondContact O-CG1 3.45Å; V65-I69 PolarHBondContact O-N 2.94Å
66	G	90.7	Very high	94.5	Very high	25 Å²	25	30.5 Å²	30.5	26%	0.258	15%	0.148	S	C	.	.	H	α-helix	trans	-63.7	-39.7	179.1	0	0	0	0	0	113.1	L64 R70	L64-G66 PolarHBondContact O-N 3.12Å; G66-R70 WeakPolarHBondContact O-CG 3.35Å; G66-R70 PolarHBondContact O-N 3.49Å
67	R	94.8	Very high	94.1	Very high	39 Å²	39	34.8 Å²	34.8	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-67	-44.9	176.9	-70.2	172.6	172.1	79.1	1.2	110.8	H63 L64 V65 I69 R70 T71 N237 V239 P838	H63-R67 PolarHBondContact O-NH1 3.24Å; L64-R67 PolarHBondContact O-N 3.29Å; L64-R67 VanDerWaalsContact O-N 3.09Å; V65-R67 PolarHBondContact O-N 3.36Å; R67-I69 PolarHBondContact O-N 3.33Å; R67-R70 PolarHBondContact O-N 2.82Å; R67-R70 VanDerWaalsContact O-N 3.15Å; R67-T71 PolarHBondContact O-N 3.45Å; R67-T71 PolarHBondContact O-OG1 2.87Å; R67-T71 VanDerWaalsContact O-OG1 3.07Å; R67-N237 HydrophobicContact CG-CB 4.37Å; R67-N237 PolarHBondContact NE-OD1 2.87Å; R67-N237 PolarHBondContact NH2-OD1 2.99Å; R67-V239 HydrophobicContact CB-CG2 3.61Å; R67-P838 HydrophobicContact CG-CG 3.69Å
68	W	96.7	Very high	93.8	Very high	23 Å²	23	43.7 Å²	43.7	9%	0.087	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-46.8	-179.5	-167.6	28.5	0	0	0	113	L64 V65 R70 T71 Q72 K192 D228 P230 V239 T241	L64-W68 WeakPolarHBondContact O-CB 3.33Å; L64-W68 PolarHBondContact O-N 3.48Å; V65-W68 PolarHBondContact O-N 2.82Å; W68-R70 VanDerWaalsContact C-N 3.31Å; W68-R70 PolarHBondContact O-N 2.94Å; W68-T71 PolarHBondContact O-N 3.39Å; W68-Q72 WeakPolarHBondContact O-CG 3.44Å; W68-Q72 PolarHBondContact O-N 3.39Å; W68-K192 HydrophobicContact CH2-CB 4.41Å; W68-K192 HydrophobicContact CZ3-CB 4.4Å; W68-D228 HydrophobicContact CH2-CB 3.45Å; W68-D228 VanDerWaalsContact CH2-CB 3.45Å; W68-D228 HydrophobicContact CZ2-CB 3.63Å; W68-P230 HydrophobicContact CD2-CB 4.2Å; W68-P230 HydrophobicContact CE3-CB 4.39Å; W68-P230 HydrophobicContact CG-CB 4.47Å; W68-V239 HydrophobicContact CB-CB 4Å; W68-V239 HydrophobicContact CB-CG1 3.81Å; W68-V239 VanDerWaalsContact CD1-O 3.27Å; W68-V239 HydrophobicContact CG-CB 4.33Å; W68-V239 HydrophobicContact CG-CG1 3.83Å; W68-T241 HydrophobicContact CZ2-CG2 4.05Å; W68-T241 PolarHBondContact NE1-OG1 3.45Å
69	I	93.6	Very high	93.5	Very high	104 Å²	104	42.9 Å²	42.9	53%	0.533	20%	0.198	S	C	.	.	H	α-helix	trans	-57.6	-46.8	174.4	-68.6	166.6	0	0	0	110.4	V65 R67 T71 Q72 Q73	V65-I69 HydrophobicContact CG1-CD1 3.97Å; V65-I69 WeakPolarHBondContact O-CG1 3.45Å; V65-I69 PolarHBondContact O-N 2.94Å; R67-I69 PolarHBondContact O-N 3.33Å; I69-T71 PolarHBondContact O-N 3.45Å; I69-Q72 PolarHBondContact O-N 3.13Å; I69-Q73 VanDerWaalsContact O-CB 3.28Å; I69-Q73 WeakPolarHBondContact O-CB 3.41Å; I69-Q73 PolarHBondContact O-N 3.3Å
70	R	92.8	Very high	93.4	Very high	37 Å²	37	45 Å²	45	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-38.7	-179.6	-73.5	177.7	178.7	-149.5	-0.9	112.9	G66 R67 W68 H74 I835 P836 P837 P838 I840 R842	G66-R70 WeakPolarHBondContact O-CG 3.35Å; G66-R70 PolarHBondContact O-N 3.49Å; R67-R70 PolarHBondContact O-N 2.82Å; R67-R70 VanDerWaalsContact O-N 3.15Å; W68-R70 VanDerWaalsContact C-N 3.31Å; W68-R70 PolarHBondContact O-N 2.94Å; R70-H74 WeakPolarHBondContact O-CB 3.26Å; R70-H74 PolarHBondContact O-N 3.44Å; R70-I835 HydrophobicContact CB-CG2 4.17Å; R70-P836 PolarHBondContact NH1-O 3.2Å; R70-P837 VanDerWaalsContact NH1-C 3.3Å; R70-P837 PolarHBondContact NH1-O 3.03Å; R70-P838 PolarHBondContact NH2-O 3.05Å; R70-I840 PolarHBondContact NH1-O 3.34Å; R70-I840 PolarHBondContact NH2-O 3.4Å; R70-R842 PolarHBondContact O-NH2 3.25Å
71	T	94.9	Very high	93.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-48.7	176	-59.5	0	0	0	0	111.2	R67 W68 I69 Q73 H74 Y75 T238 V239 I835	R67-T71 PolarHBondContact O-N 3.45Å; R67-T71 PolarHBondContact O-OG1 2.87Å; R67-T71 VanDerWaalsContact O-OG1 3.07Å; W68-T71 PolarHBondContact O-N 3.39Å; I69-T71 PolarHBondContact O-N 3.45Å; T71-Q73 VanDerWaalsContact C-N 3.34Å; T71-Q73 PolarHBondContact O-N 3.21Å; T71-H74 WeakPolarHBondContact O-CB 2.94Å; T71-H74 PolarHBondContact O-N 3.39Å; T71-Y75 HydrophobicContact CG2-CD2 4.07Å; T71-Y75 HydrophobicContact CG2-CE1 4.26Å; T71-Y75 HydrophobicContact CG2-CE2 3.39Å; T71-Y75 VanDerWaalsContact CG2-CZ 3.49Å; T71-Y75 PolarHBondContact O-N 3.03Å; T71-T238 HydrophobicContact CG2-CG2 4.06Å; T71-V239 WeakPolarHBondContact CB-O 3.27Å; T71-V239 VanDerWaalsContact CG2-O 3.26Å; T71-V239 WeakPolarHBondContact CG2-O 3.42Å; T71-V239 PolarHBondContact OG1-N 3.07Å; T71-I835 HydrophobicContact CG2-CD1 4.02Å; T71-I835 WeakPolarHBondContact OG1-CD1 3.28Å
72	Q	93.1	Very high	93.5	Very high	34 Å²	34	44.9 Å²	44.9	16%	0.159	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-44.8	177.5	-62.5	-54.7	-58.8	0	0	111	W68 I69 H74 Y75 Y76 Y156 T241	W68-Q72 WeakPolarHBondContact O-CG 3.44Å; W68-Q72 PolarHBondContact O-N 3.39Å; I69-Q72 PolarHBondContact O-N 3.13Å; Q72-H74 PolarHBondContact O-N 3.18Å; Q72-Y75 PolarHBondContact O-N 3.26Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.31Å; Q72-Y76 PolarHBondContact O-N 3.29Å; Q72-Y156 PolarHBondContact OE1-OH 2.72Å; Q72-T241 PolarHBondContact NE2-OG1 3.1Å
73	Q	90.9	Very high	93.7	Very high	43 Å²	43	42.1 Å²	42.1	20%	0.201	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-44	175.9	179.1	170.4	9.5	0	0	112.2	I69 T71 Y75 Y76 E77 F317 R842	I69-Q73 VanDerWaalsContact O-CB 3.28Å; I69-Q73 WeakPolarHBondContact O-CB 3.41Å; I69-Q73 PolarHBondContact O-N 3.3Å; T71-Q73 VanDerWaalsContact C-N 3.34Å; T71-Q73 PolarHBondContact O-N 3.21Å; Q73-Y75 VanDerWaalsContact C-N 3.32Å; Q73-Y75 PolarHBondContact O-N 3.37Å; Q73-Y76 PolarHBondContact O-N 3.44Å; Q73-Y76 VanDerWaalsContact O-N 3.1Å; Q73-E77 HydrophobicContact CG-CG 4.38Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.42Å; Q73-E77 PolarHBondContact NE2-OE1 3.04Å; Q73-E77 WeakPolarHBondContact O-CG 3.21Å; Q73-E77 PolarHBondContact O-N 3.02Å; Q73-F317 HydrophobicContact CB-CE2 4.05Å; Q73-F317 HydrophobicContact CG-CD2 3.99Å; Q73-F317 HydrophobicContact CG-CE1 4.4Å; Q73-F317 HydrophobicContact CG-CE2 3.51Å; Q73-F317 HydrophobicContact CG-CZ 3.75Å; Q73-F317 VanDerWaalsContact NE2-CZ 3.31Å; Q73-R842 VanDerWaalsContact CD-CZ 3.49Å
74	H	92.4	Very high	94	Very high	40 Å²	40	40.5 Å²	40.5	19%	0.185	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-43	175.7	178.6	84.3	0	0	0	111.7	R70 T71 Q72 Y76 E77 R78	R70-H74 WeakPolarHBondContact O-CB 3.26Å; R70-H74 PolarHBondContact O-N 3.44Å; T71-H74 WeakPolarHBondContact O-CB 2.94Å; T71-H74 PolarHBondContact O-N 3.39Å; Q72-H74 PolarHBondContact O-N 3.18Å; H74-Y76 VanDerWaalsContact C-N 3.34Å; H74-Y76 PolarHBondContact O-N 3.37Å; H74-E77 PolarHBondContact O-N 3.49Å; H74-R78 WeakPolarHBondContact O-CB 3.2Å; H74-R78 WeakPolarHBondContact O-CG 3.47Å; H74-R78 PolarHBondContact O-N 3.37Å
75	Y	93.4	Very high	94.2	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-34.4	175	-62.1	-25.6	0	0	0	112.9	T71 Q72 Q73 D79 P80 R82 L153 A154 T238 N240	T71-Y75 HydrophobicContact CG2-CD2 4.07Å; T71-Y75 HydrophobicContact CG2-CE1 4.26Å; T71-Y75 HydrophobicContact CG2-CE2 3.39Å; T71-Y75 VanDerWaalsContact CG2-CZ 3.49Å; T71-Y75 PolarHBondContact O-N 3.03Å; Q72-Y75 PolarHBondContact O-N 3.26Å; Q73-Y75 VanDerWaalsContact C-N 3.32Å; Q73-Y75 PolarHBondContact O-N 3.37Å; Y75-D79 WeakPolarHBondContact O-CA 3.44Å; Y75-D79 PolarHBondContact O-N 3.14Å; Y75-P80 HydrophobicContact CD1-CG 4.2Å; Y75-P80 VanDerWaalsContact O-CD 3.28Å; Y75-P80 WeakPolarHBondContact O-CD 3.38Å; Y75-R82 PolarHBondContact O-NH2 2.96Å; Y75-L153 PolarHBondContact OH-O 2.91Å; Y75-A154 HydrophobicContact CD1-CB 3.78Å; Y75-A154 HydrophobicContact CD2-CB 4.13Å; Y75-A154 HydrophobicContact CE1-CB 3.73Å; Y75-A154 HydrophobicContact CE2-CB 4.07Å; Y75-A154 HydrophobicContact CG-CB 4Å; Y75-T238 WeakPolarHBondContact OH-CG2 3.41Å; Y75-N240 WeakPolarHBondContact CE2-OD1 3.1Å; Y75-N240 PolarHBondContact OH-OD1 2.79Å
76	Y	89.6	Confident	94.5	Very high	54 Å²	54	38.1 Å²	38.1	21%	0.212	18%	0.176	C	C	.	.	H	α-helix	trans	-68.7	-37.9	172.6	-82.3	-75.9	0	0	0	112.8	Q72 Q73 H74 F317	Q72-Y76 WeakPolarHBondContact O-CD2 3.31Å; Q72-Y76 PolarHBondContact O-N 3.29Å; Q73-Y76 PolarHBondContact O-N 3.44Å; Q73-Y76 VanDerWaalsContact O-N 3.1Å; H74-Y76 VanDerWaalsContact C-N 3.34Å; H74-Y76 PolarHBondContact O-N 3.37Å; Y76-F317 HydrophobicContact CG-CD2 4.43Å
77	E	89.7	Confident	94.8	Very high	91 Å²	91	37 Å²	37	43%	0.425	16%	0.164	S	C	.	.	H	α-helix	trans	-73.8	-43.3	-178.8	-72.6	163.6	177.4	0	0	112.5	Q73 H74 F317 R842	Q73-E77 HydrophobicContact CG-CG 4.38Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.42Å; Q73-E77 PolarHBondContact NE2-OE1 3.04Å; Q73-E77 WeakPolarHBondContact O-CG 3.21Å; Q73-E77 PolarHBondContact O-N 3.02Å; H74-E77 PolarHBondContact O-N 3.49Å; E77-F317 HydrophobicContact CG-CB 4.33Å; E77-F317 HydrophobicContact CG-CG 4.47Å; E77-R842 VanDerWaalsContact CD-NH1 3.27Å; E77-R842 IonicContact OE1-CZ 3.44Å; E77-R842 IonicContact OE1-NH1 3.79Å; E77-R842 PolarHBondContact OE1-NH1 3.48Å; E77-R842 IonicContact OE2-CZ 2.9Å; E77-R842 IonicContact OE2-NH1 3.64Å; E77-R842 PolarHBondContact OE2-NH1 2.84Å; E77-R842 IonicContact OE2-NH2 3.18Å
78	R	91.6	Very high	94.9	Very high	187 Å²	187	35.1 Å²	35.1	71%	0.706	16%	0.157	S	C	*	.	H	α-helix	trans	-82.5	-24.9	179.4	-63.5	-58.8	-176.7	175.8	-1.2	113.3	H74	H74-R78 WeakPolarHBondContact O-CB 3.2Å; H74-R78 WeakPolarHBondContact O-CG 3.47Å; H74-R78 PolarHBondContact O-N 3.37Å
79	D	93	Very high	94.8	Very high	16 Å²	16	34.6 Å²	34.6	9%	0.086	16%	0.156	C	C	.	.			trans	44.5	57.7	-176.3	-176.9	60.6	0	0	0	113.9	Y75 R82 R324 K333	Y75-D79 WeakPolarHBondContact O-CA 3.44Å; Y75-D79 PolarHBondContact O-N 3.14Å; D79-R82 IonicContact OD1-CZ 2.71Å; D79-R82 IonicContact OD1-NH1 3.93Å; D79-R82 PolarHBondContact OD1-NH1 2.66Å; D79-R82 IonicContact OD1-NH2 2.95Å; D79-R324 IonicContact OD1-NH1 2.65Å; D79-R324 PolarHBondContact OD1-NH1 2.69Å; D79-R324 IonicContact OD1-NH2 2.61Å; D79-R324 IonicContact OD2-CZ 3.08Å; D79-R324 IonicContact OD2-NH1 3.91Å; D79-R324 PolarHBondContact OD2-NH1 3.01Å; D79-R324 IonicContact OD2-NH2 2.86Å; D79-R324 PolarHBondContact OD2-NH2 3.49Å; D79-K333 PolarHBondContact O-NZ 3.15Å; D79-K333 WeakPolarHBondContact OD2-CE 3.46Å; D79-K333 IonicContact OD2-NZ 2.67Å; D79-K333 PolarHBondContact OD2-NZ 3.3Å
80	P	95.3	Very high	95	Very high	44 Å²	44	29.8 Å²	29.8	29%	0.286	13%	0.131	S	C	.	.			trans	-69	167.1	176.2	33.1	-35.7	0	0	0	110.8	Y75 R82 A154	Y75-P80 HydrophobicContact CD1-CG 4.2Å; Y75-P80 VanDerWaalsContact O-CD 3.28Å; Y75-P80 WeakPolarHBondContact O-CD 3.38Å; P80-R82 PolarHBondContact O-N 2.72Å; P80-R82 PolarHBondContact O-NH1 3.07Å; P80-A154 HydrophobicContact CB-CB 4.36Å; P80-A154 HydrophobicContact CG-CB 3.54Å
81	K	97.9	Very high	95.1	Very high	46 Å²	46	28.7 Å²	28.7	20%	0.2	13%	0.127	C	C	.	.			trans	-59.1	131.4	162.1	-174.1	169.9	-176.1	176.1	0	108.8	P331 D332 W826 V828	K81-P331 WeakPolarHBondContact CE-O 3.48Å; K81-P331 PolarHBondContact NZ-O 3.28Å; K81-D332 WeakPolarHBondContact CB-O 3.5Å; K81-D332 WeakPolarHBondContact CD-O 3.48Å; K81-D332 WeakPolarHBondContact CG-O 3.49Å; K81-W826 WeakPolarHBondContact CD-O 3.33Å; K81-W826 WeakPolarHBondContact CE-O 3.45Å; K81-W826 PolarHBondContact NZ-O 3.22Å; K81-V828 HydrophobicContact CB-CG1 3.8Å; K81-V828 HydrophobicContact CD-CG1 4Å; K81-V828 HydrophobicContact CG-CG1 4.06Å
82	R	98.4	Very high	95.2	Very high	6 Å²	6	29.8 Å²	29.8	2%	0.023	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.5	-176.7	-69.9	174	178.2	80.1	-9.9	110.6	Y75 D79 P80 Y84 A154 Y156 K333 A335	Y75-R82 PolarHBondContact O-NH2 2.96Å; D79-R82 IonicContact OD1-CZ 2.71Å; D79-R82 IonicContact OD1-NH1 3.93Å; D79-R82 PolarHBondContact OD1-NH1 2.66Å; D79-R82 IonicContact OD1-NH2 2.95Å; P80-R82 PolarHBondContact O-N 2.72Å; P80-R82 PolarHBondContact O-NH1 3.07Å; R82-Y84 HydrophobicContact CB-CE2 3.78Å; R82-Y84 WeakPolarHBondContact CD-OH 3.37Å; R82-A154 WeakPolarHBondContact CA-O 3.13Å; R82-A154 HydrophobicContact CG-CB 4.35Å; R82-Y156 HydrophobicContact CB-CE2 4.31Å; R82-Y156 HydrophobicContact CG-CE2 4.14Å; R82-K333 PolarHBondContact N-O 3.11Å; R82-A335 PolarHBondContact O-N 2.99Å
83	I	98.8	Very high	95.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.5	-179.6	-55.7	138.8	0	0	0	108.5	M148 L153 A154 A155 Y156 W826 V828	I83-M148 HydrophobicContact CG2-SD 4.37Å; I83-L153 HydrophobicContact CD1-CB 3.96Å; I83-L153 HydrophobicContact CD1-CD1 4.22Å; I83-L153 HydrophobicContact CD1-CG 4.48Å; I83-A154 PolarHBondContact N-O 3.32Å; I83-A155 HydrophobicContact CB-CB 4.04Å; I83-A155 HydrophobicContact CD1-CB 4.28Å; I83-A155 CarbonylContact O-C 3.54Å; I83-A155 VanDerWaalsContact O-CA 3.32Å; I83-A155 WeakPolarHBondContact O-CA 3.34Å; I83-Y156 PolarHBondContact O-N 3.21Å; I83-W826 HydrophobicContact CB-CE3 4.48Å; I83-W826 HydrophobicContact CD1-CE3 3.8Å; I83-W826 HydrophobicContact CD1-CZ3 4.27Å; I83-W826 HydrophobicContact CG1-CB 4.36Å; I83-W826 HydrophobicContact CG1-CD2 4.14Å; I83-W826 HydrophobicContact CG1-CE3 3.88Å; I83-W826 HydrophobicContact CG1-CG 4.35Å; I83-W826 HydrophobicContact CG2-CD2 3.76Å; I83-W826 HydrophobicContact CG2-CE3 3.79Å; I83-W826 HydrophobicContact CG2-CG 4.38Å; I83-W826 HydrophobicContact CG2-CH2 4.07Å; I83-W826 HydrophobicContact CG2-CZ2 4.03Å; I83-W826 HydrophobicContact CG2-CZ3 3.95Å; I83-V828 HydrophobicContact CD1-CG2 3.81Å; I83-V828 HydrophobicContact CG1-CG2 4.34Å
84	Y	98.9	Very high	95.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	108.4	179.4	-61.1	-69.6	0	0	0	109.2	R82 Y156 Y158 I308 R311 V334 A335 I336 Q337	R82-Y84 HydrophobicContact CB-CE2 3.78Å; R82-Y84 WeakPolarHBondContact CD-OH 3.37Å; Y84-Y156 HydrophobicContact CD1-CD2 4.04Å; Y84-Y156 HydrophobicContact CD1-CG 4.23Å; Y84-Y156 AromaticContact CE1-CD2 3.57Å; Y84-Y156 HydrophobicContact CE1-CD2 3.57Å; Y84-Y156 HydrophobicContact CE1-CE2 4.23Å; Y84-Y156 AromaticContact CE1-CG 3.94Å; Y84-Y156 HydrophobicContact CE1-CG 3.94Å; Y84-Y158 HydrophobicContact CD1-CD2 4.04Å; Y84-Y158 AromaticContact CD1-CE2 3.54Å; Y84-Y158 HydrophobicContact CD1-CE2 3.54Å; Y84-Y158 AromaticContact CE1-CE2 3.95Å; Y84-Y158 HydrophobicContact CE1-CE2 3.95Å; Y84-I308 HydrophobicContact CD1-CD1 3.93Å; Y84-I308 HydrophobicContact CD1-CG1 3.81Å; Y84-I308 HydrophobicContact CD2-CD1 3.65Å; Y84-I308 HydrophobicContact CD2-CG1 3.84Å; Y84-I308 HydrophobicContact CD2-CG2 4.13Å; Y84-I308 HydrophobicContact CE1-CD1 4.47Å; Y84-I308 HydrophobicContact CE1-CG1 3.86Å; Y84-I308 HydrophobicContact CE2-CB 4.36Å; Y84-I308 HydrophobicContact CE2-CD1 4.18Å; Y84-I308 HydrophobicContact CE2-CG1 3.85Å; Y84-I308 HydrophobicContact CE2-CG2 3.75Å; Y84-I308 HydrophobicContact CG-CD1 3.47Å; Y84-I308 VanDerWaalsContact CG-CD1 3.47Å; Y84-I308 HydrophobicContact CG-CG1 3.78Å; Y84-R311 PolarHBondContact OH-NH1 2.7Å; Y84-V334 HydrophobicContact CD2-CG1 3.77Å; Y84-V334 HydrophobicContact CE2-CB 4.49Å; Y84-V334 HydrophobicContact CE2-CG1 3.85Å; Y84-V334 HydrophobicContact CE2-CG2 4.35Å; Y84-A335 PolarHBondContact N-O 2.88Å; Y84-I336 WeakPolarHBondContact O-CA 3.49Å; Y84-Q337 PolarHBondContact O-N 3.4Å
85	Y	98.9	Very high	96.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	105.5	178.7	-165.4	-91	0	0	0	109.2	F90 A141 F144 Y156 Y158 Q337 N339	Y85-F90 HydrophobicContact CD1-CE1 4.34Å; Y85-F90 HydrophobicContact CD1-CZ 4.28Å; Y85-A141 HydrophobicContact CD1-CB 4.34Å; Y85-A141 HydrophobicContact CE1-CB 3.63Å; Y85-F144 AromaticContact CE2-CD2 3.76Å; Y85-F144 HydrophobicContact CE2-CD2 3.76Å; Y85-F144 HydrophobicContact CE2-CE2 4.25Å; Y85-F144 AromaticContact CZ-CD2 3.84Å; Y85-Y156 PolarHBondContact N-O 2.88Å; Y85-Y158 PolarHBondContact O-N 3.48Å; Y85-Q337 HydrophobicContact CD2-CB 3.79Å; Y85-Q337 HydrophobicContact CD2-CG 3.86Å; Y85-Q337 HydrophobicContact CE2-CB 4.26Å; Y85-Q337 HydrophobicContact CE2-CG 3.8Å; Y85-N339 HydrophobicContact CE1-CB 3.77Å; Y85-N339 PolarHBondContact OH-ND2 3.37Å; Y85-N339 PolarHBondContact OH-OD1 2.99Å; Y85-N339 VanDerWaalsContact OH-OD1 3.05Å
86	L	98.8	Very high	96.3	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.9	-177.8	-81.6	62.6	0	0	0	109.2	T304 I336 Q337 N339 P343 S346	L86-T304 HydrophobicContact CD1-CG2 3.91Å; L86-T304 HydrophobicContact CD2-CG2 4.13Å; L86-T304 HydrophobicContact CG-CG2 4.04Å; L86-I336 HydrophobicContact CD1-CG2 3.93Å; L86-I336 HydrophobicContact CD2-CG2 4.15Å; L86-Q337 PolarHBondContact N-O 2.94Å; L86-N339 VanDerWaalsContact O-CB 3.28Å; L86-N339 WeakPolarHBondContact O-CB 3.5Å; L86-N339 PolarHBondContact O-N 3.42Å; L86-P343 HydrophobicContact CB-CB 3.85Å; L86-P343 HydrophobicContact CB-CG 4.17Å; L86-P343 HydrophobicContact CD2-CB 4.3Å; L86-S346 WeakPolarHBondContact CD2-OG 3.2Å
87	S	97.9	Very high	96.6	Very high	1 Å²	1	25 Å²	25	1%	0.007	11%	0.112	C	C	.	.			trans	-147.4	141.2	174.6	-166	0	0	0	0	111.6	E89 F90 Y158 G159 N339	S87-E89 PolarHBondContact O-N 3.28Å; S87-E89 PolarHBondContact OG-N 3Å; S87-E89 PolarHBondContact OG-O 2.92Å; S87-F90 WeakPolarHBondContact O-CE2 3.43Å; S87-Y158 PolarHBondContact N-O 3.4Å; S87-Y158 VanDerWaalsContact O-O 3.14Å; S87-G159 VanDerWaalsContact O-CA 3.23Å; S87-G159 WeakPolarHBondContact O-CA 3.26Å; S87-N339 PolarHBondContact OG-ND2 2.69Å
88	L	96.3	Very high	97	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.097	C	C	.	.	S	Bend	trans	-76.4	-5	170.4	-88	71.4	0	0	0	112.6	Y162 Q296 E297 V300 H342	L88-Y162 WeakPolarHBondContact O-CE2 3.48Å; L88-Y162 PolarHBondContact O-OH 3.42Å; L88-Y162 VanDerWaalsContact O-OH 3.04Å; L88-Q296 HydrophobicContact CD2-CB 4.44Å; L88-E297 HydrophobicContact CD1-CG 4.45Å; L88-E297 HydrophobicContact CD2-CG 3.55Å; L88-V300 HydrophobicContact CD1-CG1 3.62Å; L88-V300 HydrophobicContact CG-CG1 4.35Å; L88-H342 HydrophobicContact CB-CB 4.37Å; L88-H342 HydrophobicContact CD1-CB 3.69Å; L88-H342 HydrophobicContact CD2-CB 4.16Å; L88-H342 HydrophobicContact CG-CB 4.27Å
89	E	94.7	Very high	97.3	Very high	12 Å²	12	12.7 Å²	12.7	6%	0.056	6%	0.063	C	C	.	.			trans	-133.5	131.4	-180	-63.1	-175.3	-147.7	0	0	112.8	S87 L132 N134 L137 L280 Y281	S87-E89 PolarHBondContact O-N 3.28Å; S87-E89 PolarHBondContact OG-N 3Å; S87-E89 PolarHBondContact OG-O 2.92Å; E89-L132 CarbonylContact C-O 3.08Å; E89-L132 VanDerWaalsContact CA-O 3.23Å; E89-L132 WeakPolarHBondContact CA-O 3.46Å; E89-N134 PolarHBondContact OE2-N 2.92Å; E89-L137 HydrophobicContact CB-CD2 3.95Å; E89-L137 HydrophobicContact CG-CD2 4.27Å; E89-L280 HydrophobicContact CG-CD1 4.15Å; E89-Y281 HydrophobicContact CG-CE2 3.84Å; E89-Y281 WeakPolarHBondContact OE1-CE2 3.4Å; E89-Y281 PolarHBondContact OE1-OH 2.98Å
90	F	97.1	Very high	97.4	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.009	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	97	166.5	-72.6	-84.4	0	0	0	109.5	Y85 S87 M92 L132 A141 L145 Y158 M242 L244	Y85-F90 HydrophobicContact CD1-CE1 4.34Å; Y85-F90 HydrophobicContact CD1-CZ 4.28Å; S87-F90 WeakPolarHBondContact O-CE2 3.43Å; F90-M92 VanDerWaalsContact C-N 3.29Å; F90-M92 HydrophobicContact CB-CG 4.16Å; F90-M92 HydrophobicContact CB-SD 4.19Å; F90-M92 PolarHBondContact O-N 2.7Å; F90-L132 PolarHBondContact N-O 3.42Å; F90-L132 CarbonylContact O-C 3.37Å; F90-L132 WeakPolarHBondContact O-CB 3.46Å; F90-A141 HydrophobicContact CD1-CB 3.77Å; F90-A141 HydrophobicContact CE1-CB 3.75Å; F90-L145 HydrophobicContact CD1-CD1 3.55Å; F90-L145 HydrophobicContact CD1-CG 4.35Å; F90-L145 HydrophobicContact CE1-CD1 3.54Å; F90-L145 HydrophobicContact CE1-CD2 4.37Å; F90-L145 HydrophobicContact CE1-CG 4Å; F90-Y158 WeakPolarHBondContact CE2-O 3.34Å; F90-M242 HydrophobicContact CB-SD 3.81Å; F90-M242 HydrophobicContact CD1-SD 3.95Å; F90-M242 HydrophobicContact CD2-SD 4.26Å; F90-M242 HydrophobicContact CG-SD 3.74Å; F90-L244 HydrophobicContact CD2-CD2 4.19Å
91	Y	96.3	Very high	97.4	Very high	15 Å²	15	10.5 Å²	10.5	6%	0.059	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	73.1	-176.7	-155.9	-1.4	0	0	0	110.7	G133 G138 R139 I166 R650 V651	Y91-G133 WeakPolarHBondContact CD2-O 3.45Å; Y91-G138 PolarHBondContact N-O 2.92Å; Y91-R139 VanDerWaalsContact O-CD 3.27Å; Y91-R139 WeakPolarHBondContact O-CD 3.36Å; Y91-R139 PolarHBondContact O-NH1 3.49Å; Y91-I166 HydrophobicContact CE1-CG2 4.42Å; Y91-R650 VanDerWaalsContact OH-CA 3.27Å; Y91-R650 WeakPolarHBondContact OH-CA 3.29Å; Y91-R650 VanDerWaalsContact OH-CB 3.31Å; Y91-R650 WeakPolarHBondContact OH-CB 3.32Å; Y91-V651 HydrophobicContact CD1-CG2 3.59Å; Y91-V651 HydrophobicContact CD2-CG2 4.19Å; Y91-V651 HydrophobicContact CE1-CG2 3.78Å; Y91-V651 HydrophobicContact CE2-CG2 4.37Å; Y91-V651 HydrophobicContact CG-CG2 3.84Å
92	M	97.4	Very high	97.3	Very high	22 Å²	22	8.4 Å²	8.4	11%	0.108	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-38.4	-166.7	-63.9	-57.8	-73.2	0	0	113.5	F90 A130 R139 A142 L145 M242	F90-M92 VanDerWaalsContact C-N 3.29Å; F90-M92 HydrophobicContact CB-CG 4.16Å; F90-M92 HydrophobicContact CB-SD 4.19Å; F90-M92 PolarHBondContact O-N 2.7Å; M92-A130 HydrophobicContact CB-CB 4.11Å; M92-A130 PolarHBondContact N-O 3.12Å; M92-R139 PolarHBondContact O-NH1 3.18Å; M92-A142 HydrophobicContact SD-CB 3.5Å; M92-A142 VanDerWaalsContact SD-CB 3.5Å; M92-L145 HydrophobicContact SD-CD1 4.28Å; M92-M242 HydrophobicContact CE-CE 4.39Å; M92-M242 HydrophobicContact CE-SD 4.34Å; M92-M242 HydrophobicContact CG-CE 3.99Å; M92-M242 HydrophobicContact CG-SD 4.09Å; M92-M242 HydrophobicContact SD-CE 4.39Å; M92-M242 HydrophobicContact SD-SD 3.91Å
93	G	96.9	Very high	97	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.5	-151.9	-169.8	0	0	0	0	0	111.6	A130	G93-A130 PolarHBondContact O-N 3.1Å; G93-A130 VanDerWaalsContact O-N 3.1Å
94	R	98.2	Very high	96.6	Very high	26 Å²	26	10.6 Å²	10.6	10%	0.098	6%	0.059	C	C	.	.			trans	-77.4	145.3	175.2	-70.8	177.7	179.4	161.3	-4.1	112	E124 E125 E127 D129 R491	R94-E124 WeakPolarHBondContact CD-O 3.26Å; R94-E124 PolarHBondContact NE-O 3.49Å; R94-E124 PolarHBondContact NH1-O 3.28Å; R94-E125 IonicContact CZ-OE2 3.89Å; R94-E125 IonicContact NH1-OE1 3.77Å; R94-E125 PolarHBondContact NH1-OE1 3.34Å; R94-E125 IonicContact NH1-OE2 3.4Å; R94-E125 PolarHBondContact NH1-OE2 3.17Å; R94-E125 PolarHBondContact NH2-O 2.76Å; R94-E125 IonicContact NH2-OE2 3.94Å; R94-E125 PolarHBondContact NH2-OE2 3.35Å; R94-E127 HydrophobicContact CB-CG 4.26Å; R94-E127 WeakPolarHBondContact CB-OE2 3.37Å; R94-E127 HydrophobicContact CG-CB 3.97Å; R94-E127 HydrophobicContact CG-CG 3.99Å; R94-E127 PolarHBondContact NE-O 3.46Å; R94-E127 PolarHBondContact NH2-O 2.85Å; R94-D129 IonicContact NE-OD1 2.69Å; R94-R491 PolarHBondContact O-NH1 2.63Å; R94-R491 PolarHBondContact O-NH2 2.75Å
95	T	98.4	Very high	96.2	Very high	16 Å²	16	11.5 Å²	11.5	10%	0.098	6%	0.064	C	C	.	.			trans	-110	-25.9	-172.5	-61.9	0	0	0	0	113.3	Q97 N98 T99 E127 W190	T95-Q97 PolarHBondContact O-N 2.75Å; T95-N98 PolarHBondContact O-N 3.26Å; T95-T99 WeakPolarHBondContact CG2-OG1 3.45Å; T95-T99 WeakPolarHBondContact O-CB 3.41Å; T95-T99 PolarHBondContact O-N 3.31Å; T95-T99 PolarHBondContact O-OG1 3.2Å; T95-E127 VanDerWaalsContact N-CD 3.31Å; T95-E127 PolarHBondContact N-OE1 3.45Å; T95-E127 PolarHBondContact N-OE2 3.3Å; T95-W190 HydrophobicContact CG2-CD2 3.6Å; T95-W190 HydrophobicContact CG2-CE3 3.95Å; T95-W190 HydrophobicContact CG2-CG 3.87Å; T95-W190 HydrophobicContact CG2-CZ2 4.31Å; T95-W190 HydrophobicContact CG2-CZ3 4.43Å
96	L	98.3	Very high	95.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-55.9	-58.9	-173.6	178.9	56	0	0	0	112.5	F53 L56 V60 N98 T99 M100 E124 E127 W190	F53-L96 HydrophobicContact CD2-CD2 3.99Å; F53-L96 HydrophobicContact CE2-CD2 4.01Å; L56-L96 HydrophobicContact CD2-CD2 3.98Å; L56-L96 HydrophobicContact CG-CD1 4.21Å; L56-L96 HydrophobicContact CG-CD2 4.36Å; V60-L96 HydrophobicContact CB-CD1 4.19Å; V60-L96 HydrophobicContact CG1-CD1 4.45Å; V60-L96 HydrophobicContact CG2-CD1 3.95Å; L96-N98 PolarHBondContact O-N 3.26Å; L96-T99 WeakPolarHBondContact O-CB 3.16Å; L96-T99 PolarHBondContact O-N 2.92Å; L96-M100 HydrophobicContact CD1-CE 4.31Å; L96-M100 HydrophobicContact CD1-SD 4.45Å; L96-M100 HydrophobicContact CG-CE 3.91Å; L96-M100 WeakPolarHBondContact O-CG 3.34Å; L96-M100 PolarHBondContact O-N 3.37Å; L96-E124 HydrophobicContact CD2-CG 4.29Å; L96-E127 WeakPolarHBondContact CB-OE2 3.36Å; L96-E127 PolarHBondContact N-OE1 3.36Å; L96-E127 PolarHBondContact N-OE2 3.35Å; L96-W190 VanDerWaalsContact CA-CZ2 3.47Å; L96-W190 HydrophobicContact CB-CH2 4.45Å; L96-W190 HydrophobicContact CB-CZ2 3.82Å; L96-W190 HydrophobicContact CD1-CH2 3.92Å; L96-W190 HydrophobicContact CD1-CZ2 3.99Å
97	Q	96.8	Very high	95.3	Very high	35 Å²	35	13.2 Å²	13.2	16%	0.164	7%	0.073	C	C	.	.	H	α-helix	trans	-65.4	-39.2	-177.3	-167.5	175.1	51.4	0	0	112.2	T95 T99 M100 V101 E124 L495	T95-Q97 PolarHBondContact O-N 2.75Å; Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-T99 PolarHBondContact O-N 3.12Å; Q97-M100 HydrophobicContact CB-CE 4.34Å; Q97-M100 PolarHBondContact O-N 2.94Å; Q97-V101 WeakPolarHBondContact O-CB 3.44Å; Q97-V101 VanDerWaalsContact O-CG2 3.28Å; Q97-V101 WeakPolarHBondContact O-CG2 3.45Å; Q97-V101 PolarHBondContact O-N 3.06Å; Q97-E124 WeakPolarHBondContact CG-OE1 3.44Å; Q97-E124 VanDerWaalsContact NE2-CD 3.31Å; Q97-E124 PolarHBondContact NE2-OE1 2.87Å; Q97-E124 PolarHBondContact NE2-OE2 3.13Å; Q97-L495 HydrophobicContact CB-CD1 4.08Å; Q97-L495 HydrophobicContact CB-CG 4.4Å; Q97-L495 HydrophobicContact CG-CD1 4.04Å; Q97-L495 HydrophobicContact CG-CG 3.88Å; Q97-L495 VanDerWaalsContact OE1-CG 3.22Å
98	N	97.6	Very high	94.9	Very high	19 Å²	19	13.4 Å²	13.4	10%	0.102	8%	0.075	C	C	.	.	H	α-helix	trans	-63.3	-37.8	176.5	174.9	-121.5	0	0	0	112.3	T95 L96 V101 N102 L495	T95-N98 PolarHBondContact O-N 3.26Å; L96-N98 PolarHBondContact O-N 3.26Å; N98-V101 PolarHBondContact O-N 2.72Å; N98-N102 WeakPolarHBondContact O-CB 3.38Å; N98-N102 PolarHBondContact O-N 3.35Å; N98-L495 HydrophobicContact CB-CD1 3.86Å
99	T	97.7	Very high	94.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66	-46.5	174.9	-58.4	0	0	0	0	111.3	V60 L64 T95 L96 Q97 V101 N102 L103 W190	V60-T99 HydrophobicContact CG1-CG2 3.45Å; V60-T99 VanDerWaalsContact CG1-CG2 3.45Å; L64-T99 HydrophobicContact CD1-CG2 3.53Å; L64-T99 HydrophobicContact CD2-CG2 3.98Å; L64-T99 HydrophobicContact CG-CG2 3.77Å; T95-T99 WeakPolarHBondContact CG2-OG1 3.45Å; T95-T99 WeakPolarHBondContact O-CB 3.41Å; T95-T99 PolarHBondContact O-N 3.31Å; T95-T99 PolarHBondContact O-OG1 3.2Å; L96-T99 WeakPolarHBondContact O-CB 3.16Å; L96-T99 PolarHBondContact O-N 2.92Å; Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-T99 PolarHBondContact O-N 3.12Å; T99-V101 VanDerWaalsContact C-N 3.3Å; T99-V101 PolarHBondContact O-N 3.3Å; T99-N102 PolarHBondContact O-N 3.46Å; T99-L103 HydrophobicContact CG2-CD1 3.84Å; T99-L103 HydrophobicContact CG2-CG 4.3Å; T99-L103 WeakPolarHBondContact O-CB 3.3Å; T99-L103 WeakPolarHBondContact O-CG 3.33Å; T99-L103 PolarHBondContact O-N 2.97Å; T99-W190 HydrophobicContact CG2-CZ3 4.41Å
100	M	95.8	Very high	94.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-41.5	176.7	-71.5	-171.6	-64.8	0	0	111.9	V60 L96 Q97 G104 L105 Q106 C109 L120 E124	V60-M100 HydrophobicContact CG1-CG 4.04Å; V60-M100 HydrophobicContact CG2-CG 3.86Å; V60-M100 HydrophobicContact CG2-SD 4.21Å; L96-M100 HydrophobicContact CD1-CE 4.31Å; L96-M100 HydrophobicContact CD1-SD 4.45Å; L96-M100 HydrophobicContact CG-CE 3.91Å; L96-M100 WeakPolarHBondContact O-CG 3.34Å; L96-M100 PolarHBondContact O-N 3.37Å; Q97-M100 HydrophobicContact CB-CE 4.34Å; Q97-M100 PolarHBondContact O-N 2.94Å; M100-G104 PolarHBondContact O-N 3.43Å; M100-G104 VanDerWaalsContact O-N 3.08Å; M100-L105 PolarHBondContact O-N 3.41Å; M100-Q106 HydrophobicContact CB-CB 4.32Å; M100-Q106 PolarHBondContact O-N 3.3Å; M100-C109 HydrophobicContact SD-CB 3.53Å; M100-C109 VanDerWaalsContact SD-CB 3.53Å; M100-L120 HydrophobicContact CE-CD1 4.15Å; M100-L120 HydrophobicContact CE-CD2 4.24Å; M100-L120 HydrophobicContact SD-CD1 4.46Å; M100-E124 HydrophobicContact CE-CG 4.48Å; M100-E124 VanDerWaalsContact CE-OE1 3.29Å; M100-E124 WeakPolarHBondContact CE-OE1 3.43Å
101	V	94.1	Very high	94.5	Very high	15 Å²	15	18 Å²	18	9%	0.091	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-52.4	175.1	167.3	0	0	0	0	111.5	Q97 N98 T99 L103 G104 Y234 L494	Q97-V101 WeakPolarHBondContact O-CB 3.44Å; Q97-V101 VanDerWaalsContact O-CG2 3.28Å; Q97-V101 WeakPolarHBondContact O-CG2 3.45Å; Q97-V101 PolarHBondContact O-N 3.06Å; N98-V101 PolarHBondContact O-N 2.72Å; T99-V101 VanDerWaalsContact C-N 3.3Å; T99-V101 PolarHBondContact O-N 3.3Å; V101-L103 VanDerWaalsContact C-N 3.27Å; V101-L103 PolarHBondContact O-N 2.88Å; V101-G104 PolarHBondContact O-N 3.23Å; V101-G104 VanDerWaalsContact O-N 3.11Å; V101-Y234 HydrophobicContact CG1-CD2 4.36Å; V101-Y234 HydrophobicContact CG1-CE2 4.08Å; V101-L494 HydrophobicContact CG1-CD2 3.47Å; V101-L494 VanDerWaalsContact CG1-CD2 3.47Å; V101-L494 HydrophobicContact CG1-CG 4Å
102	N	95.7	Very high	94.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-68.9	-25.7	-175.3	-74.2	-1.6	0	0	0	112.7	N98 T99 D146 P232 K235	N98-N102 WeakPolarHBondContact O-CB 3.38Å; N98-N102 PolarHBondContact O-N 3.35Å; T99-N102 PolarHBondContact O-N 3.46Å; N102-D146 PolarHBondContact ND2-OD1 3.34Å; N102-P232 HydrophobicContact CB-CB 4.11Å; N102-P232 HydrophobicContact CB-CG 4.09Å; N102-P232 PolarHBondContact ND2-O 2.84Å; N102-K235 PolarHBondContact O-N 2.98Å
103	L	92.4	Very high	94.3	Very high	26 Å²	26	16.3 Å²	16.3	14%	0.136	9%	0.09	C	C	.	.	H	α-helix	trans	-88.2	-9.3	174	-64.5	-177.1	0	0	0	114.2	H63 L64 T99 V101 L105	H63-L103 HydrophobicContact CB-CD1 3.88Å; L64-L103 HydrophobicContact CD2-CD1 3.87Å; L64-L103 HydrophobicContact CD2-CD2 3.99Å; L64-L103 HydrophobicContact CD2-CG 4.18Å; L64-L103 HydrophobicContact CG-CD1 4.08Å; T99-L103 HydrophobicContact CG2-CD1 3.84Å; T99-L103 HydrophobicContact CG2-CG 4.3Å; T99-L103 WeakPolarHBondContact O-CB 3.3Å; T99-L103 WeakPolarHBondContact O-CG 3.33Å; T99-L103 PolarHBondContact O-N 2.97Å; V101-L103 VanDerWaalsContact C-N 3.27Å; V101-L103 PolarHBondContact O-N 2.88Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 HydrophobicContact CB-CB 4.45Å; L103-L105 HydrophobicContact CB-CD1 3.84Å; L103-L105 HydrophobicContact CB-CG 3.85Å; L103-L105 HydrophobicContact CD1-CD1 3.85Å
104	G	90.4	Very high	94.1	Very high	27 Å²	27	23.8 Å²	23.8	28%	0.278	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	27.9	-173.7	0	0	0	0	0	113.9	M100 V101	M100-G104 PolarHBondContact O-N 3.43Å; M100-G104 VanDerWaalsContact O-N 3.08Å; V101-G104 PolarHBondContact O-N 3.23Å; V101-G104 VanDerWaalsContact O-N 3.11Å
105	L	90.4	Very high	93.9	Very high	21 Å²	21	26.7 Å²	26.7	11%	0.11	13%	0.133	C	C	.	.			trans	-102.3	-3.3	-175.5	-67.7	177.4	0	0	0	114.1	H63 M100 L103 N107 A108 C109	H63-L105 HydrophobicContact CB-CD1 3.88Å; M100-L105 PolarHBondContact O-N 3.41Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 HydrophobicContact CB-CB 4.45Å; L103-L105 HydrophobicContact CB-CD1 3.84Å; L103-L105 HydrophobicContact CB-CG 3.85Å; L103-L105 HydrophobicContact CD1-CD1 3.85Å; L105-N107 PolarHBondContact O-N 3.49Å; L105-A108 PolarHBondContact O-N 3.22Å; L105-C109 PolarHBondContact O-N 3.47Å; L105-C109 PolarHBondContact O-SG 3.26Å
106	Q	89.6	Confident	93.6	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-54	-51.4	-172.9	-172	76.6	27.7	0	0	112.3	R17 M100 A108 C109 D110 E124	R17-Q106 HydrophobicContact CB-CB 4.13Å; R17-Q106 HydrophobicContact CB-CG 4.27Å; R17-Q106 HydrophobicContact CG-CB 4.42Å; R17-Q106 HydrophobicContact CG-CG 4.13Å; M100-Q106 HydrophobicContact CB-CB 4.32Å; M100-Q106 PolarHBondContact O-N 3.3Å; Q106-A108 PolarHBondContact O-N 3.35Å; Q106-C109 PolarHBondContact O-N 3.48Å; Q106-D110 WeakPolarHBondContact O-CB 3.13Å; Q106-D110 PolarHBondContact O-N 2.95Å; Q106-E124 PolarHBondContact NE2-OE1 3.44Å; Q106-E124 VanDerWaalsContact NE2-OE1 3.12Å
107	N	88.8	Confident	93.4	Very high	33 Å²	33	29.7 Å²	29.7	18%	0.176	17%	0.165	C	C	.	.	H	α-helix	trans	-69.6	-33.6	-178	-77.9	-7.7	0	0	0	113.3	R17 G18 L105 E111	R17-N107 VanDerWaalsContact C-ND2 3.33Å; R17-N107 WeakPolarHBondContact CB-ND2 3.29Å; R17-N107 WeakPolarHBondContact CB-OD1 3.48Å; R17-N107 PolarHBondContact O-N 2.92Å; G18-N107 PolarHBondContact O-ND2 3.46Å; L105-N107 PolarHBondContact O-N 3.49Å; N107-E111 WeakPolarHBondContact O-CB 3.3Å; N107-E111 PolarHBondContact O-N 3.35Å; N107-E111 VanDerWaalsContact O-N 3.08Å
108	A	90.7	Very high	93.4	Very high	5 Å²	5	29.7 Å²	29.7	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-39.2	174.3	0	0	0	0	0	111.5	D24 V25 L105 Q106 A112	D24-A108 HydrophobicContact CB-CB 4.1Å; V25-A108 HydrophobicContact CG2-CB 4.47Å; L105-A108 PolarHBondContact O-N 3.22Å; Q106-A108 PolarHBondContact O-N 3.35Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3.49Å
109	C	94	Very high	93.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-69.2	-44.4	176.1	-65.2	0	0	0	0	111.8	L56 M100 L105 Q106 A112 I113	L56-C109 HydrophobicContact CD1-CB 4.45Å; M100-C109 HydrophobicContact SD-CB 3.53Å; M100-C109 VanDerWaalsContact SD-CB 3.53Å; L105-C109 PolarHBondContact O-N 3.47Å; L105-C109 PolarHBondContact O-SG 3.26Å; Q106-C109 PolarHBondContact O-N 3.48Å; C109-A112 PolarHBondContact O-N 3.26Å; C109-I113 WeakPolarHBondContact O-CB 3.36Å; C109-I113 WeakPolarHBondContact O-CG1 3.36Å; C109-I113 PolarHBondContact O-N 3.04Å
110	D	92.3	Very high	93	Very high	33 Å²	33	32 Å²	32	18%	0.176	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-50.8	178.6	-166.3	25.9	0	0	0	111.3	Q106 A112 I113 Y114 L120	Q106-D110 WeakPolarHBondContact O-CB 3.13Å; Q106-D110 PolarHBondContact O-N 2.95Å; D110-A112 PolarHBondContact O-N 3.38Å; D110-I113 PolarHBondContact O-N 3.41Å; D110-Y114 VanDerWaalsContact O-CB 3.28Å; D110-Y114 WeakPolarHBondContact O-CB 3.28Å; D110-Y114 PolarHBondContact O-N 3.4Å; D110-L120 HydrophobicContact CB-CD2 3.8Å
111	E	92.3	Very high	92.8	Very high	79 Å²	79	35.4 Å²	35.4	37%	0.369	19%	0.194	S	C	.	.	H	α-helix	trans	-62.9	-40.5	177.5	-177.6	60.1	-148.7	0	0	112.2	V25 N107 Q115	V25-E111 HydrophobicContact CG1-CG 4.08Å; V25-E111 HydrophobicContact CG2-CB 4.2Å; V25-E111 HydrophobicContact CG2-CG 4.1Å; N107-E111 WeakPolarHBondContact O-CB 3.3Å; N107-E111 PolarHBondContact O-N 3.35Å; N107-E111 VanDerWaalsContact O-N 3.08Å; E111-Q115 VanDerWaalsContact O-CG 3.31Å; E111-Q115 WeakPolarHBondContact O-CG 3.34Å; E111-Q115 PolarHBondContact O-N 2.67Å; E111-Q115 PolarHBondContact OE1-NE2 3.46Å
112	A	93.9	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-44.9	177.8	0	0	0	0	0	112.6	V25 V28 R29 A108 C109 D110 Q115 L116	V25-A112 HydrophobicContact CG1-CB 4.17Å; V28-A112 HydrophobicContact CB-CB 3.89Å; V28-A112 HydrophobicContact CG1-CB 3.53Å; R29-A112 HydrophobicContact CG-CB 3.72Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3.49Å; C109-A112 PolarHBondContact O-N 3.26Å; D110-A112 PolarHBondContact O-N 3.38Å; A112-Q115 PolarHBondContact O-N 2.91Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.47Å; A112-L116 PolarHBondContact O-N 3.12Å
113	I	95.1	Very high	92.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.9	-39.1	-179.8	-67.1	-64.9	0	0	0	110.4	F32 L56 C109 D110 L116 G117 L118 L120 L123	F32-I113 HydrophobicContact CD2-CD1 3.66Å; F32-I113 HydrophobicContact CE2-CD1 3.51Å; F32-I113 HydrophobicContact CG-CD1 4.45Å; F32-I113 HydrophobicContact CZ-CD1 4.2Å; L56-I113 HydrophobicContact CB-CD1 4.49Å; L56-I113 HydrophobicContact CD1-CD1 4.12Å; L56-I113 HydrophobicContact CD1-CG1 4.25Å; L56-I113 HydrophobicContact CD2-CD1 4.24Å; L56-I113 HydrophobicContact CD2-CG1 4.22Å; C109-I113 WeakPolarHBondContact O-CB 3.36Å; C109-I113 WeakPolarHBondContact O-CG1 3.36Å; C109-I113 PolarHBondContact O-N 3.04Å; D110-I113 PolarHBondContact O-N 3.41Å; I113-L116 HydrophobicContact CD1-CD1 4.47Å; I113-L116 CarbonylContact O-C 3.46Å; I113-L116 WeakPolarHBondContact O-CA 3.01Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.16Å; I113-L116 VanDerWaalsContact O-N 3.1Å; I113-G117 PolarHBondContact O-N 2.83Å; I113-L118 HydrophobicContact CG2-CB 3.55Å; I113-L118 PolarHBondContact O-N 3.14Å; I113-L118 VanDerWaalsContact O-N 3.09Å; I113-L120 HydrophobicContact CG2-CB 4.39Å; I113-L123 HydrophobicContact CD1-CD1 4.34Å; I113-L123 HydrophobicContact CG2-CD1 4.07Å
114	Y	93.4	Very high	93	Very high	159 Å²	159	39.6 Å²	39.6	62%	0.624	21%	0.212	S	C	*	.	H	α-helix	trans	-59.6	-47	172.2	175.2	-103.1	0	0	0	112.5	D110 L116 G117	D110-Y114 VanDerWaalsContact O-CB 3.28Å; D110-Y114 WeakPolarHBondContact O-CB 3.28Å; D110-Y114 PolarHBondContact O-N 3.4Å; Y114-L116 PolarHBondContact O-N 3.26Å; Y114-G117 WeakPolarHBondContact O-CA 3.39Å; Y114-G117 PolarHBondContact O-N 2.84Å
115	Q	93.6	Very high	93.2	Very high	86 Å²	86	42.5 Å²	42.5	40%	0.402	22%	0.218	S	C	.	.	H	α-helix	trans	-64	-21	176.3	-73	179	20.6	0	0	113.3	E111 A112 G117	E111-Q115 VanDerWaalsContact O-CG 3.31Å; E111-Q115 WeakPolarHBondContact O-CG 3.34Å; E111-Q115 PolarHBondContact O-N 2.67Å; E111-Q115 PolarHBondContact OE1-NE2 3.46Å; A112-Q115 PolarHBondContact O-N 2.91Å; Q115-G117 VanDerWaalsContact C-N 3.3Å
116	L	92.9	Very high	93.6	Very high	12 Å²	12	43 Å²	43	6%	0.063	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.1	172	-66.2	167.1	0	0	0	112.3	R29 F32 R44 A112 I113 Y114 L118	R29-L116 HydrophobicContact CG-CD1 4.29Å; R29-L116 HydrophobicContact CG-CG 4.3Å; F32-L116 HydrophobicContact CB-CD1 4.37Å; F32-L116 HydrophobicContact CD1-CD1 3.54Å; F32-L116 HydrophobicContact CE1-CD1 3.91Å; F32-L116 HydrophobicContact CG-CD1 3.94Å; R44-L116 PolarHBondContact NH2-O 2.98Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.47Å; A112-L116 PolarHBondContact O-N 3.12Å; I113-L116 HydrophobicContact CD1-CD1 4.47Å; I113-L116 CarbonylContact O-C 3.46Å; I113-L116 WeakPolarHBondContact O-CA 3.01Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.16Å; I113-L116 VanDerWaalsContact O-N 3.1Å; Y114-L116 PolarHBondContact O-N 3.26Å; L116-L118 HydrophobicContact CB-CD1 4.5Å
117	G	94.7	Very high	94	Very high	68 Å²	68	43.2 Å²	43.2	70%	0.701	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	29.9	179	0	0	0	0	0	113.8	I113 Y114 Q115	I113-G117 PolarHBondContact O-N 2.83Å; Y114-G117 WeakPolarHBondContact O-CA 3.39Å; Y114-G117 PolarHBondContact O-N 2.84Å; Q115-G117 VanDerWaalsContact C-N 3.3Å
118	L	95.8	Very high	94.4	Very high	35 Å²	35	45 Å²	45	18%	0.183	23%	0.229	C	C	.	.			trans	-121.3	159.5	-178.9	-61.2	174	0	0	0	110.3	F32 Y52 I113 L116	F32-L118 HydrophobicContact CE1-CD1 4.32Å; F32-L118 HydrophobicContact CZ-CD1 3.77Å; Y52-L118 HydrophobicContact CD1-CD1 3.9Å; Y52-L118 HydrophobicContact CD2-CD1 4.04Å; Y52-L118 HydrophobicContact CD2-CD2 3.63Å; Y52-L118 HydrophobicContact CE1-CD1 4.36Å; Y52-L118 HydrophobicContact CE2-CD2 3.71Å; Y52-L118 HydrophobicContact CG-CD1 3.72Å; Y52-L118 HydrophobicContact CG-CD2 4.2Å; I113-L118 HydrophobicContact CG2-CB 3.55Å; I113-L118 PolarHBondContact O-N 3.14Å; I113-L118 VanDerWaalsContact O-N 3.09Å; L116-L118 HydrophobicContact CB-CD1 4.5Å
119	D	94	Very high	94.7	Very high	65 Å²	65	45.4 Å²	45.4	35%	0.348	23%	0.231	S	C	.	.			trans	-104.3	122	174.1	-173.1	-10.7	0	0	0	110.5	E121 E122 L123	D119-E121 VanDerWaalsContact C-N 3.35Å; D119-E121 PolarHBondContact O-N 3.13Å; D119-E121 PolarHBondContact OD1-N 2.73Å; D119-E122 HydrophobicContact CB-CB 4.05Å; D119-E122 PolarHBondContact O-N 3.19Å; D119-L123 WeakPolarHBondContact O-CG 3.36Å; D119-L123 PolarHBondContact O-N 3.48Å
120	L	93.5	Very high	94.7	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-40.8	180	-178.2	61	0	0	0	112.3	L56 M100 D110 I113 E122 L123 E124	L56-L120 HydrophobicContact CD2-CD1 3.39Å; M100-L120 HydrophobicContact CE-CD1 4.15Å; M100-L120 HydrophobicContact CE-CD2 4.24Å; M100-L120 HydrophobicContact SD-CD1 4.46Å; D110-L120 HydrophobicContact CB-CD2 3.8Å; I113-L120 HydrophobicContact CG2-CB 4.39Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 3.27Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-E124 HydrophobicContact CD1-CG 4.41Å; L120-E124 HydrophobicContact CG-CG 4.37Å; L120-E124 WeakPolarHBondContact O-CG 3.46Å; L120-E124 PolarHBondContact O-N 3.09Å
121	E	92.2	Very high	94.7	Very high	70 Å²	70	44.6 Å²	44.6	33%	0.327	23%	0.228	S	C	.	.	H	α-helix	trans	-65.8	-35	-178.8	-68.8	-167.4	-166.4	0	0	110.9	D119 E124 E125 K545	D119-E121 VanDerWaalsContact C-N 3.35Å; D119-E121 PolarHBondContact O-N 3.13Å; D119-E121 PolarHBondContact OD1-N 2.73Å; E121-E124 PolarHBondContact O-N 2.94Å; E121-E125 WeakPolarHBondContact O-CG 3.47Å; E121-E125 PolarHBondContact O-N 3.16Å; E121-E125 VanDerWaalsContact O-N 3.14Å; E121-K545 IonicContact OE1-NZ 2.65Å; E121-K545 PolarHBondContact OE1-NZ 3.02Å; E121-K545 IonicContact OE2-NZ 3.37Å; E121-K545 PolarHBondContact OE2-NZ 3.43Å
122	E	93.2	Very high	94.7	Very high	112 Å²	112	41 Å²	41	52%	0.523	21%	0.212	S	C	.	.	H	α-helix	trans	-64.4	-40.7	175.1	-171.2	-179.8	177.3	0	0	111.4	D119 L120 E125 I126	D119-E122 HydrophobicContact CB-CB 4.05Å; D119-E122 PolarHBondContact O-N 3.19Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 3.27Å; E122-E125 PolarHBondContact O-N 3.47Å; E122-I126 WeakPolarHBondContact O-CG1 3.39Å
123	L	97	Very high	94.4	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-69.3	-38.2	177	-58.9	-174.7	0	0	0	112.3	P49 L56 I113 D119 L120 E125 I126	P49-L123 WeakPolarHBondContact O-CD2 3.24Å; L56-L123 HydrophobicContact CD2-CD1 4.2Å; I113-L123 HydrophobicContact CD1-CD1 4.34Å; I113-L123 HydrophobicContact CG2-CD1 4.07Å; D119-L123 WeakPolarHBondContact O-CG 3.36Å; D119-L123 PolarHBondContact O-N 3.48Å; L120-L123 PolarHBondContact O-N 2.87Å; L123-E125 VanDerWaalsContact C-N 3.25Å; L123-E125 PolarHBondContact O-N 3.41Å; L123-I126 HydrophobicContact CD2-CD1 4.11Å; L123-I126 PolarHBondContact O-N 2.78Å
124	E	95.8	Very high	93.8	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-31.3	175	-72.3	173.6	162.2	0	0	112	R94 L96 Q97 M100 Q106 L120 E121 I126	R94-E124 WeakPolarHBondContact CD-O 3.26Å; R94-E124 PolarHBondContact NE-O 3.49Å; R94-E124 PolarHBondContact NH1-O 3.28Å; L96-E124 HydrophobicContact CD2-CG 4.29Å; Q97-E124 WeakPolarHBondContact CG-OE1 3.44Å; Q97-E124 VanDerWaalsContact NE2-CD 3.31Å; Q97-E124 PolarHBondContact NE2-OE1 2.87Å; Q97-E124 PolarHBondContact NE2-OE2 3.13Å; M100-E124 HydrophobicContact CE-CG 4.48Å; M100-E124 VanDerWaalsContact CE-OE1 3.29Å; M100-E124 WeakPolarHBondContact CE-OE1 3.43Å; Q106-E124 PolarHBondContact NE2-OE1 3.44Å; Q106-E124 VanDerWaalsContact NE2-OE1 3.12Å; L120-E124 HydrophobicContact CD1-CG 4.41Å; L120-E124 HydrophobicContact CG-CG 4.37Å; L120-E124 WeakPolarHBondContact O-CG 3.46Å; L120-E124 PolarHBondContact O-N 3.09Å; E121-E124 PolarHBondContact O-N 2.94Å; E124-I126 VanDerWaalsContact C-N 3.3Å; E124-I126 PolarHBondContact O-N 2.58Å
125	E	94.9	Very high	93.5	Very high	89 Å²	89	36.9 Å²	36.9	42%	0.416	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.4	176.9	-71.8	-56.3	145.3	0	0	114.6	R94 E121 E122 L123 K656	R94-E125 IonicContact CZ-OE2 3.89Å; R94-E125 IonicContact NH1-OE1 3.77Å; R94-E125 PolarHBondContact NH1-OE1 3.34Å; R94-E125 IonicContact NH1-OE2 3.4Å; R94-E125 PolarHBondContact NH1-OE2 3.17Å; R94-E125 PolarHBondContact NH2-O 2.76Å; R94-E125 IonicContact NH2-OE2 3.94Å; R94-E125 PolarHBondContact NH2-OE2 3.35Å; E121-E125 WeakPolarHBondContact O-CG 3.47Å; E121-E125 PolarHBondContact O-N 3.16Å; E121-E125 VanDerWaalsContact O-N 3.14Å; E122-E125 PolarHBondContact O-N 3.47Å; L123-E125 VanDerWaalsContact C-N 3.25Å; L123-E125 PolarHBondContact O-N 3.41Å; E125-K656 VanDerWaalsContact CD-NZ 3.27Å; E125-K656 WeakPolarHBondContact OE1-CE 3.31Å; E125-K656 IonicContact OE1-NZ 3.28Å; E125-K656 PolarHBondContact OE1-NZ 3.37Å; E125-K656 IonicContact OE2-NZ 3.83Å; E125-K656 PolarHBondContact OE2-NZ 3.39Å
126	I	97.7	Very high	93.1	Very high	30 Å²	30	34.9 Å²	34.9	15%	0.154	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-25.1	179.2	-61.2	168	0	0	0	111.9	P49 R50 F53 E122 L123 E124 E128	P49-I126 HydrophobicContact CB-CD1 3.42Å; P49-I126 VanDerWaalsContact CB-CD1 3.42Å; P49-I126 VanDerWaalsContact O-CD1 3.25Å; P49-I126 WeakPolarHBondContact O-CD1 3.31Å; R50-I126 HydrophobicContact CB-CG2 4.17Å; R50-I126 HydrophobicContact CG-CG2 4.19Å; F53-I126 HydrophobicContact CB-CB 4.18Å; F53-I126 HydrophobicContact CB-CD1 4.26Å; F53-I126 HydrophobicContact CB-CG2 4.17Å; F53-I126 HydrophobicContact CD1-CG2 4.22Å; F53-I126 HydrophobicContact CG-CB 4.31Å; F53-I126 HydrophobicContact CG-CG2 4.23Å; E122-I126 WeakPolarHBondContact O-CG1 3.39Å; L123-I126 HydrophobicContact CD2-CD1 4.11Å; L123-I126 PolarHBondContact O-N 2.78Å; E124-I126 VanDerWaalsContact C-N 3.3Å; E124-I126 PolarHBondContact O-N 2.58Å; I126-E128 PolarHBondContact O-N 3.17Å
127	E	98.3	Very high	93	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.042	21%	0.212	C	C	.	.	S	Bend	trans	-62.7	129.7	179.4	-168.8	175.7	-166.9	0	0	110.4	F53 R94 T95 L96 W190	F53-E127 HydrophobicContact CD2-CB 4.34Å; F53-E127 HydrophobicContact CE2-CB 3.57Å; F53-E127 HydrophobicContact CE2-CG 3.84Å; F53-E127 HydrophobicContact CZ-CB 3.83Å; F53-E127 HydrophobicContact CZ-CG 3.75Å; R94-E127 HydrophobicContact CB-CG 4.26Å; R94-E127 WeakPolarHBondContact CB-OE2 3.37Å; R94-E127 HydrophobicContact CG-CB 3.97Å; R94-E127 HydrophobicContact CG-CG 3.99Å; R94-E127 PolarHBondContact NE-O 3.46Å; R94-E127 PolarHBondContact NH2-O 2.85Å; T95-E127 VanDerWaalsContact N-CD 3.31Å; T95-E127 PolarHBondContact N-OE1 3.45Å; T95-E127 PolarHBondContact N-OE2 3.3Å; L96-E127 WeakPolarHBondContact CB-OE2 3.36Å; L96-E127 PolarHBondContact N-OE1 3.36Å; L96-E127 PolarHBondContact N-OE2 3.35Å; E127-W190 PolarHBondContact OE1-NE1 3.22Å
128	E	96.8	Very high	93	Very high	72 Å²	72	32.2 Å²	32.2	34%	0.336	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-75.9	143.4	172.8	-56.9	-67.3	177.4	0	0	109.7	I126 A130 W183	I126-E128 PolarHBondContact O-N 3.17Å; E128-A130 PolarHBondContact O-N 3.39Å; E128-W183 HydrophobicContact CB-CB 4.32Å
129	D	96.3	Very high	93	Very high	13 Å²	13	31 Å²	31	7%	0.07	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-67	131.4	170.9	-78.7	54.2	0	0	0	109.3	R94 G131 R650 V651 S652	R94-D129 IonicContact NE-OD1 2.69Å; D129-G131 PolarHBondContact O-N 3.39Å; D129-R650 IonicContact OD1-NE 2.77Å; D129-V651 PolarHBondContact OD2-N 2.81Å; D129-S652 VanDerWaalsContact CG-OG 3.31Å; D129-S652 WeakPolarHBondContact OD1-CB 3.25Å; D129-S652 PolarHBondContact OD1-OG 2.91Å; D129-S652 PolarHBondContact OD2-N 2.86Å; D129-S652 PolarHBondContact OD2-OG 3.35Å
130	A	95.6	Very high	93.2	Very high	14 Å²	14	28.1 Å²	28.1	12%	0.116	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	83.7	162.9	0	0	0	0	0	109.3	M92 G93 E128 L132 W183	M92-A130 HydrophobicContact CB-CB 4.11Å; M92-A130 PolarHBondContact N-O 3.12Å; G93-A130 PolarHBondContact O-N 3.1Å; G93-A130 VanDerWaalsContact O-N 3.1Å; E128-A130 PolarHBondContact O-N 3.39Å; A130-L132 PolarHBondContact O-N 2.85Å; A130-W183 HydrophobicContact CB-CE3 4.06Å; A130-W183 HydrophobicContact CB-CH2 4.38Å; A130-W183 HydrophobicContact CB-CZ3 3.82Å
131	G	91.1	Very high	93.4	Very high	2 Å²	2	28 Å²	28	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	39.3	-175.1	0	0	0	0	0	115	D129 G133 G165 I166	D129-G131 PolarHBondContact O-N 3.39Å; G131-G133 PolarHBondContact O-N 3.48Å; G131-G165 CarbonylContact O-C 3.56Å; G131-G165 WeakPolarHBondContact O-CA 3.3Å; G131-I166 PolarHBondContact O-N 3.08Å
132	L	92.3	Very high	93.6	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	26.5	-173.5	-51.7	174.5	0	0	0	113.2	E89 F90 A130 Y162 W183 L244	E89-L132 CarbonylContact C-O 3.08Å; E89-L132 VanDerWaalsContact CA-O 3.23Å; E89-L132 WeakPolarHBondContact CA-O 3.46Å; F90-L132 PolarHBondContact N-O 3.42Å; F90-L132 CarbonylContact O-C 3.37Å; F90-L132 WeakPolarHBondContact O-CB 3.46Å; A130-L132 PolarHBondContact O-N 2.85Å; L132-Y162 HydrophobicContact CB-CD2 4.5Å; L132-Y162 HydrophobicContact CD2-CD2 4.14Å; L132-W183 HydrophobicContact CD1-CH2 4.29Å; L132-W183 HydrophobicContact CD1-CZ2 4.12Å; L132-W183 HydrophobicContact CD2-CZ2 3.73Å; L132-W183 HydrophobicContact CG-CZ2 4.22Å; L132-L244 HydrophobicContact CD1-CD1 3.4Å
133	G	88.9	Confident	93.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.			trans	-159.1	156.5	176.8	0	0	0	0	0	111.7	Y91 G131 I166	Y91-G133 WeakPolarHBondContact CD2-O 3.45Å; G131-G133 PolarHBondContact O-N 3.48Å; G133-I166 WeakPolarHBondContact O-CG2 3.41Å
134	N	81.9	Confident	94	Very high	48 Å²	48	19.2 Å²	19.2	26%	0.257	11%	0.114	S	C	.	.			trans	-89.8	-32	-173.5	-76.5	-33.8	0	0	0	113	E89 I166 Y281	E89-N134 PolarHBondContact OE2-N 2.92Å; N134-I166 WeakPolarHBondContact OD1-CD1 3.49Å; N134-Y281 WeakPolarHBondContact ND2-CD2 3.28Å; N134-Y281 WeakPolarHBondContact ND2-CE2 3.33Å
135	G	86.3	Confident	94.1	Very high	24 Å²	24	18.8 Å²	18.8	25%	0.247	11%	0.112	C	C	.	.	S	Bend	trans	-173.1	-132.7	-170.2	0	0	0	0	0	115.2	L137 R139	G135-L137 PolarHBondContact O-N 2.68Å; G135-R139 WeakPolarHBondContact O-CB 3.37Å; G135-R139 PolarHBondContact O-N 3.04Å
136	G	86.9	Confident	94.3	Very high	44 Å²	44	14.9 Å²	14.9	45%	0.454	9%	0.094	S	C	.	.	H	α-helix	trans	-61	-41.5	-171.1	0	0	0	0	0	113.8	R139 L140	G136-R139 PolarHBondContact O-N 3.46Å; G136-L140 WeakPolarHBondContact O-CB 3.4Å; G136-L140 PolarHBondContact O-N 3.49Å
137	L	90.8	Very high	94.4	Very high	24 Å²	24	13.4 Å²	13.4	13%	0.126	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-55.1	179.9	-177.6	149	0	0	0	111.6	E89 G135 R139 L140 A141 N339 D340 H378	E89-L137 HydrophobicContact CB-CD2 3.95Å; E89-L137 HydrophobicContact CG-CD2 4.27Å; G135-L137 PolarHBondContact O-N 2.68Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 2.77Å; L137-L140 WeakPolarHBondContact O-CB 3.44Å; L137-L140 PolarHBondContact O-N 3.06Å; L137-A141 PolarHBondContact O-N 2.78Å; L137-A141 VanDerWaalsContact O-N 3.12Å; L137-N339 VanDerWaalsContact CD2-ND2 3.32Å; L137-N339 WeakPolarHBondContact CD2-ND2 3.42Å; L137-D340 HydrophobicContact CD1-CB 3.77Å; L137-H378 HydrophobicContact CD1-CB 4.47Å
138	G	92.8	Very high	94.4	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.1	-34	176.6	0	0	0	0	0	113.6	Y91 A142	Y91-G138 PolarHBondContact N-O 2.92Å; G138-A142 PolarHBondContact O-N 3.01Å; G138-A142 VanDerWaalsContact O-N 3.17Å
139	R	97.5	Very high	94.4	Very high	11 Å²	11	9.6 Å²	9.6	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-73.9	-32	178.1	-169.4	56.5	-110.5	-173.4	-5.2	112.7	Y91 M92 G135 G136 L137 A142 C143 W492	Y91-R139 VanDerWaalsContact O-CD 3.27Å; Y91-R139 WeakPolarHBondContact O-CD 3.36Å; Y91-R139 PolarHBondContact O-NH1 3.49Å; M92-R139 PolarHBondContact O-NH1 3.18Å; G135-R139 WeakPolarHBondContact O-CB 3.37Å; G135-R139 PolarHBondContact O-N 3.04Å; G136-R139 PolarHBondContact O-N 3.46Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 2.77Å; R139-A142 VanDerWaalsContact CZ-CB 3.45Å; R139-A142 PolarHBondContact O-N 2.89Å; R139-C143 PolarHBondContact O-N 2.81Å; R139-C143 PolarHBondContact O-SG 3.5Å; R139-W492 HydrophobicContact CG-CZ2 4.07Å
140	L	96.5	Very high	94.5	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.016	7%	0.07	C	C	.	.	H	α-helix	trans	-62.9	-49.3	172.2	-176.7	72.2	0	0	0	110.2	G136 L137 A142 C143 F144 H378 N485 T677	G136-L140 WeakPolarHBondContact O-CB 3.4Å; G136-L140 PolarHBondContact O-N 3.49Å; L137-L140 WeakPolarHBondContact O-CB 3.44Å; L137-L140 PolarHBondContact O-N 3.06Å; L140-A142 VanDerWaalsContact C-N 3.27Å; L140-A142 PolarHBondContact O-N 3.25Å; L140-C143 WeakPolarHBondContact O-CB 3.23Å; L140-C143 PolarHBondContact O-N 2.95Å; L140-F144 HydrophobicContact CD1-CD1 4.07Å; L140-F144 HydrophobicContact CD1-CE1 3.4Å; L140-F144 VanDerWaalsContact CD1-CE1 3.4Å; L140-F144 HydrophobicContact CD1-CE2 4.37Å; L140-F144 HydrophobicContact CD1-CZ 3.58Å; L140-F144 HydrophobicContact CD2-CE2 4.04Å; L140-F144 HydrophobicContact CD2-CZ 3.88Å; L140-F144 HydrophobicContact CG-CD1 4.24Å; L140-F144 HydrophobicContact CG-CD2 4.35Å; L140-F144 HydrophobicContact CG-CE1 3.82Å; L140-F144 HydrophobicContact CG-CE2 3.94Å; L140-F144 HydrophobicContact CG-CG 4.5Å; L140-F144 HydrophobicContact CG-CZ 3.65Å; L140-F144 WeakPolarHBondContact O-CG 3.29Å; L140-F144 PolarHBondContact O-N 2.9Å; L140-H378 VanDerWaalsContact CD2-CE1 3.49Å; L140-H378 WeakPolarHBondContact CD2-CE1 3.44Å; L140-N485 HydrophobicContact CD1-CB 3.96Å; L140-N485 VanDerWaalsContact CD2-OD1 3.25Å; L140-N485 WeakPolarHBondContact CD2-OD1 3.24Å; L140-T677 HydrophobicContact CD1-CG2 4.34Å
141	A	97.8	Very high	94.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-53.9	-44.6	175.8	0	0	0	0	0	111.7	Y85 F90 L137 F144 L145	Y85-A141 HydrophobicContact CD1-CB 4.34Å; Y85-A141 HydrophobicContact CE1-CB 3.63Å; F90-A141 HydrophobicContact CD1-CB 3.77Å; F90-A141 HydrophobicContact CE1-CB 3.75Å; L137-A141 PolarHBondContact O-N 2.78Å; L137-A141 VanDerWaalsContact O-N 3.12Å; A141-F144 WeakPolarHBondContact O-CB 3.13Å; A141-F144 PolarHBondContact O-N 3.45Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 3.33Å
142	A	98.3	Very high	94.9	Very high	2 Å²	2	10.9 Å²	10.9	2%	0.017	8%	0.078	C	C	.	.	H	α-helix	trans	-65.5	-37.3	176.1	0	0	0	0	0	113.8	M92 G138 R139 L140 D146	M92-A142 HydrophobicContact SD-CB 3.5Å; M92-A142 VanDerWaalsContact SD-CB 3.5Å; G138-A142 PolarHBondContact O-N 3.01Å; G138-A142 VanDerWaalsContact O-N 3.17Å; R139-A142 VanDerWaalsContact CZ-CB 3.45Å; R139-A142 PolarHBondContact O-N 2.89Å; L140-A142 VanDerWaalsContact C-N 3.27Å; L140-A142 PolarHBondContact O-N 3.25Å; A142-D146 PolarHBondContact O-N 3.05Å
143	C	98.7	Very high	95.2	Very high	1 Å²	1	11 Å²	11	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-67	-38.2	172.5	-67.7	0	0	0	0	111.8	R139 L140 D146 S147 T488	R139-C143 PolarHBondContact O-N 2.81Å; R139-C143 PolarHBondContact O-SG 3.5Å; L140-C143 WeakPolarHBondContact O-CB 3.23Å; L140-C143 PolarHBondContact O-N 2.95Å; C143-D146 PolarHBondContact O-N 3.37Å; C143-S147 PolarHBondContact O-N 3.48Å; C143-T488 HydrophobicContact CB-CG2 4.15Å
144	F	98.8	Very high	95.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.2	-40.9	177.9	-77.4	5.8	0	0	0	112	Y85 L140 A141 D146 S147 M148 T817 I818 Y821	Y85-F144 AromaticContact CE2-CD2 3.76Å; Y85-F144 HydrophobicContact CE2-CD2 3.76Å; Y85-F144 HydrophobicContact CE2-CE2 4.25Å; Y85-F144 AromaticContact CZ-CD2 3.84Å; L140-F144 HydrophobicContact CD1-CD1 4.07Å; L140-F144 HydrophobicContact CD1-CE1 3.4Å; L140-F144 VanDerWaalsContact CD1-CE1 3.4Å; L140-F144 HydrophobicContact CD1-CE2 4.37Å; L140-F144 HydrophobicContact CD1-CZ 3.58Å; L140-F144 HydrophobicContact CD2-CE2 4.04Å; L140-F144 HydrophobicContact CD2-CZ 3.88Å; L140-F144 HydrophobicContact CG-CD1 4.24Å; L140-F144 HydrophobicContact CG-CD2 4.35Å; L140-F144 HydrophobicContact CG-CE1 3.82Å; L140-F144 HydrophobicContact CG-CE2 3.94Å; L140-F144 HydrophobicContact CG-CG 4.5Å; L140-F144 HydrophobicContact CG-CZ 3.65Å; L140-F144 WeakPolarHBondContact O-CG 3.29Å; L140-F144 PolarHBondContact O-N 2.9Å; A141-F144 WeakPolarHBondContact O-CB 3.13Å; A141-F144 PolarHBondContact O-N 3.45Å; F144-D146 PolarHBondContact O-N 3.37Å; F144-S147 PolarHBondContact O-N 3.18Å; F144-M148 HydrophobicContact CB-CE 4.36Å; F144-M148 WeakPolarHBondContact O-CB 3.5Å; F144-M148 WeakPolarHBondContact O-CE 3.2Å; F144-M148 VanDerWaalsContact O-CG 3.28Å; F144-M148 WeakPolarHBondContact O-CG 3.27Å; F144-M148 PolarHBondContact O-N 2.9Å; F144-T817 HydrophobicContact CE1-CG2 3.7Å; F144-T817 HydrophobicContact CZ-CG2 3.58Å; F144-I818 HydrophobicContact CB-CD1 3.8Å; F144-I818 HydrophobicContact CB-CG1 4.38Å; F144-I818 HydrophobicContact CD1-CD1 3.87Å; F144-I818 HydrophobicContact CD1-CG1 4.07Å; F144-I818 HydrophobicContact CD2-CD1 3.88Å; F144-I818 HydrophobicContact CE1-CD1 4.38Å; F144-I818 HydrophobicContact CE2-CD1 4.4Å; F144-I818 HydrophobicContact CG-CD1 3.59Å; F144-I818 HydrophobicContact CG-CG1 4.23Å; F144-Y821 HydrophobicContact CE2-CE2 4.09Å; F144-Y821 HydrophobicContact CZ-CE2 4.03Å
145	L	98.8	Very high	96.4	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-58	-45.9	174.5	-70.8	-179.5	0	0	0	112.3	F90 M92 A141 M148 A149 V231 M242	F90-L145 HydrophobicContact CD1-CD1 3.55Å; F90-L145 HydrophobicContact CD1-CG 4.35Å; F90-L145 HydrophobicContact CE1-CD1 3.54Å; F90-L145 HydrophobicContact CE1-CD2 4.37Å; F90-L145 HydrophobicContact CE1-CG 4Å; M92-L145 HydrophobicContact SD-CD1 4.28Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 3.33Å; L145-M148 HydrophobicContact CD2-CE 3.73Å; L145-M148 HydrophobicContact CG-CE 4.48Å; L145-M148 PolarHBondContact O-N 2.95Å; L145-A149 PolarHBondContact O-N 3.48Å; L145-A149 VanDerWaalsContact O-N 3.08Å; L145-V231 HydrophobicContact CB-CG1 3.95Å; L145-V231 HydrophobicContact CB-CG2 4.47Å; L145-V231 HydrophobicContact CD1-CG2 4.4Å; L145-V231 WeakPolarHBondContact O-CG1 3.28Å; L145-M242 HydrophobicContact CD1-CB 4.07Å; L145-M242 HydrophobicContact CD1-CG 4.04Å; L145-M242 HydrophobicContact CD1-SD 3.87Å
146	D	98.7	Very high	97	Very high	7 Å²	7	8.1 Å²	8.1	4%	0.037	6%	0.059	C	C	.	.	H	α-helix	trans	-64.1	-41.6	177.7	176.9	91.1	0	0	0	112.2	N102 A142 C143 F144 T150 T488 R490	N102-D146 PolarHBondContact ND2-OD1 3.34Å; A142-D146 PolarHBondContact O-N 3.05Å; C143-D146 PolarHBondContact O-N 3.37Å; F144-D146 PolarHBondContact O-N 3.37Å; D146-T150 WeakPolarHBondContact O-CB 3.1Å; D146-T150 PolarHBondContact O-N 3.38Å; D146-T150 PolarHBondContact O-OG1 3.02Å; D146-T488 HydrophobicContact CB-CG2 4.44Å; D146-T488 VanDerWaalsContact OD2-CB 3.27Å; D146-T488 WeakPolarHBondContact OD2-CB 3.41Å; D146-T488 PolarHBondContact OD2-OG1 3.34Å; D146-R490 IonicContact OD2-CZ 3.27Å; D146-R490 IonicContact OD2-NE 3.25Å; D146-R490 PolarHBondContact OD2-NE 3.01Å; D146-R490 IonicContact OD2-NH2 3.95Å; D146-R490 PolarHBondContact OD2-NH2 2.89Å
147	S	98.7	Very high	97.6	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-66.6	-44.3	174.8	-76	0	0	0	0	113	C143 F144 A149 T150 L151 R490 S814 D815	C143-S147 PolarHBondContact O-N 3.48Å; F144-S147 PolarHBondContact O-N 3.18Å; S147-A149 VanDerWaalsContact C-N 3.29Å; S147-A149 PolarHBondContact O-N 3.14Å; S147-T150 PolarHBondContact O-N 3.37Å; S147-L151 WeakPolarHBondContact O-CB 3.35Å; S147-L151 VanDerWaalsContact O-CG 3.28Å; S147-L151 WeakPolarHBondContact O-CG 3.5Å; S147-L151 PolarHBondContact O-N 2.94Å; S147-R490 PolarHBondContact OG-NH2 3.29Å; S147-S814 VanDerWaalsContact OG-CB 3.32Å; S147-S814 WeakPolarHBondContact OG-CB 3.46Å; S147-S814 PolarHBondContact OG-OG 3.19Å; S147-D815 WeakPolarHBondContact CA-OD1 3.35Å; S147-D815 VanDerWaalsContact CB-OD1 3.23Å; S147-D815 WeakPolarHBondContact CB-OD1 3.35Å; S147-D815 PolarHBondContact OG-N 3.13Å; S147-D815 PolarHBondContact OG-OD1 2.99Å
148	M	98.7	Very high	97.9	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-61.8	-38.2	177.9	-72.4	-175.8	-67.6	0	0	111.8	I83 F144 L145 G152 L153 A155 I818 W826	I83-M148 HydrophobicContact CG2-SD 4.37Å; F144-M148 HydrophobicContact CB-CE 4.36Å; F144-M148 WeakPolarHBondContact O-CB 3.5Å; F144-M148 WeakPolarHBondContact O-CE 3.2Å; F144-M148 VanDerWaalsContact O-CG 3.28Å; F144-M148 WeakPolarHBondContact O-CG 3.27Å; F144-M148 PolarHBondContact O-N 2.9Å; L145-M148 HydrophobicContact CD2-CE 3.73Å; L145-M148 HydrophobicContact CG-CE 4.48Å; L145-M148 PolarHBondContact O-N 2.95Å; M148-G152 PolarHBondContact O-N 3.44Å; M148-L153 HydrophobicContact CB-CB 4.37Å; M148-L153 HydrophobicContact CG-CD1 4.21Å; M148-L153 PolarHBondContact O-N 2.9Å; M148-A155 HydrophobicContact CB-CB 3.77Å; M148-A155 HydrophobicContact CE-CB 4.09Å; M148-A155 HydrophobicContact CG-CB 4.06Å; M148-A155 HydrophobicContact SD-CB 3.39Å; M148-A155 WeakPolarHBondContact SD-CB 3.44Å; M148-I818 HydrophobicContact CG-CD1 3.95Å; M148-I818 HydrophobicContact CG-CG1 4.23Å; M148-I818 HydrophobicContact CG-CG2 3.69Å; M148-I818 HydrophobicContact SD-CD1 4.41Å; M148-W826 HydrophobicContact SD-CH2 4.05Å; M148-W826 HydrophobicContact SD-CZ3 4.13Å
149	A	98.2	Very high	98.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-68.7	-41.1	174.2	0	0	0	0	0	112.2	L145 S147 L151 G152 V231 N236 T238 N240	L145-A149 PolarHBondContact O-N 3.48Å; L145-A149 VanDerWaalsContact O-N 3.08Å; S147-A149 VanDerWaalsContact C-N 3.29Å; S147-A149 PolarHBondContact O-N 3.14Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 3.21Å; A149-G152 PolarHBondContact O-N 3.22Å; A149-V231 HydrophobicContact CB-CG1 4.11Å; A149-V231 WeakPolarHBondContact CB-O 3.48Å; A149-N236 PolarHBondContact O-ND2 3.19Å; A149-T238 WeakPolarHBondContact O-CB 2.98Å; A149-T238 WeakPolarHBondContact O-CG2 3.24Å; A149-N240 WeakPolarHBondContact CA-ND2 2.96Å; A149-N240 HydrophobicContact CB-CB 4.23Å
150	T	98.1	Very high	98.3	Very high	15 Å²	15	4.5 Å²	4.5	9%	0.092	3%	0.03	C	C	.	.	H	α-helix	trans	-65.2	-36.2	178.2	-59.8	0	0	0	0	112.2	D146 S147 G152 Y234 N236 T514	D146-T150 WeakPolarHBondContact O-CB 3.1Å; D146-T150 PolarHBondContact O-N 3.38Å; D146-T150 PolarHBondContact O-OG1 3.02Å; S147-T150 PolarHBondContact O-N 3.37Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 3.45Å; T150-Y234 PolarHBondContact OG1-N 3.29Å; T150-Y234 VanDerWaalsContact OG1-N 3.12Å; T150-N236 WeakPolarHBondContact CA-ND2 3.41Å; T150-N236 PolarHBondContact O-ND2 3.31Å; T150-T514 HydrophobicContact CG2-CG2 4.17Å
151	L	97.8	Very high	98.3	Very high	23 Å²	23	5.9 Å²	5.9	12%	0.12	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	7.9	178.6	-66.8	170.9	0	0	0	114.1	S147 A149 L153 D815 I818 P830 S831	S147-L151 WeakPolarHBondContact O-CB 3.35Å; S147-L151 VanDerWaalsContact O-CG 3.28Å; S147-L151 WeakPolarHBondContact O-CG 3.5Å; S147-L151 PolarHBondContact O-N 2.94Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 3.21Å; L151-L153 HydrophobicContact CB-CD1 4.44Å; L151-L153 HydrophobicContact CB-CG 4.17Å; L151-L153 PolarHBondContact O-N 3.4Å; L151-D815 HydrophobicContact CD1-CB 4.27Å; L151-D815 HydrophobicContact CD2-CB 4.44Å; L151-I818 HydrophobicContact CD1-CB 3.92Å; L151-I818 HydrophobicContact CD1-CG2 3.56Å; L151-P830 HydrophobicContact CB-CB 4.2Å; L151-P830 HydrophobicContact CD2-CB 4.21Å; L151-S831 CarbonylContact C-O 3.16Å; L151-S831 PolarHBondContact O-N 3.24Å
152	G	96.8	Very high	98.3	Very high	18 Å²	18	5.9 Å²	5.9	19%	0.186	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	15	176.4	0	0	0	0	0	115.1	M148 A149 T150	M148-G152 PolarHBondContact O-N 3.44Å; A149-G152 PolarHBondContact O-N 3.22Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 3.45Å
153	L	98.1	Very high	98.1	Very high	6 Å²	6	9 Å²	9	3%	0.031	5%	0.049	C	C	.	.			trans	-75.9	137	-176.9	-62.8	179	0	0	0	111.2	Y75 I83 M148 L151 A155 N240 I818 A822 V828	Y75-L153 PolarHBondContact OH-O 2.91Å; I83-L153 HydrophobicContact CD1-CB 3.96Å; I83-L153 HydrophobicContact CD1-CD1 4.22Å; I83-L153 HydrophobicContact CD1-CG 4.48Å; M148-L153 HydrophobicContact CB-CB 4.37Å; M148-L153 HydrophobicContact CG-CD1 4.21Å; M148-L153 PolarHBondContact O-N 2.9Å; L151-L153 HydrophobicContact CB-CD1 4.44Å; L151-L153 HydrophobicContact CB-CG 4.17Å; L151-L153 PolarHBondContact O-N 3.4Å; L153-A155 HydrophobicContact CB-CB 4.47Å; L153-A155 PolarHBondContact O-N 3.22Å; L153-N240 PolarHBondContact O-ND2 3.15Å; L153-N240 PolarHBondContact O-OD1 3.32Å; L153-I818 HydrophobicContact CD1-CG2 3.54Å; L153-A822 HydrophobicContact CD1-CB 4.09Å; L153-V828 HydrophobicContact CD2-CG2 4.19Å
154	A	97.8	Very high	97.8	Very high	8 Å²	8	11.3 Å²	11.3	7%	0.066	6%	0.059	C	C	.	.			trans	-74.9	70.3	175.8	0	0	0	0	0	111.7	Y75 P80 R82 I83	Y75-A154 HydrophobicContact CD1-CB 3.78Å; Y75-A154 HydrophobicContact CD2-CB 4.13Å; Y75-A154 HydrophobicContact CE1-CB 3.73Å; Y75-A154 HydrophobicContact CE2-CB 4.07Å; Y75-A154 HydrophobicContact CG-CB 4Å; P80-A154 HydrophobicContact CB-CB 4.36Å; P80-A154 HydrophobicContact CG-CB 3.54Å; R82-A154 WeakPolarHBondContact CA-O 3.13Å; R82-A154 HydrophobicContact CG-CB 4.35Å; I83-A154 PolarHBondContact N-O 3.32Å
155	A	98.3	Very high	97.2	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.008	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.5	-170	0	0	0	0	0	113.4	I83 M148 L153	I83-A155 HydrophobicContact CB-CB 4.04Å; I83-A155 HydrophobicContact CD1-CB 4.28Å; I83-A155 CarbonylContact O-C 3.54Å; I83-A155 VanDerWaalsContact O-CA 3.32Å; I83-A155 WeakPolarHBondContact O-CA 3.34Å; M148-A155 HydrophobicContact CB-CB 3.77Å; M148-A155 HydrophobicContact CE-CB 4.09Å; M148-A155 HydrophobicContact CG-CB 4.06Å; M148-A155 HydrophobicContact SD-CB 3.39Å; M148-A155 WeakPolarHBondContact SD-CB 3.44Å; L153-A155 HydrophobicContact CB-CB 4.47Å; L153-A155 PolarHBondContact O-N 3.22Å
156	Y	98.8	Very high	96.6	Very high	2 Å²	2	12 Å²	12	1%	0.008	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.3	-179.8	-56.4	-103.1	0	0	0	109.8	Q72 R82 I83 Y84 Y85 Y158 T241	Q72-Y156 PolarHBondContact OE1-OH 2.72Å; R82-Y156 HydrophobicContact CB-CE2 4.31Å; R82-Y156 HydrophobicContact CG-CE2 4.14Å; I83-Y156 PolarHBondContact O-N 3.21Å; Y84-Y156 HydrophobicContact CD1-CD2 4.04Å; Y84-Y156 HydrophobicContact CD1-CG 4.23Å; Y84-Y156 AromaticContact CE1-CD2 3.57Å; Y84-Y156 HydrophobicContact CE1-CD2 3.57Å; Y84-Y156 HydrophobicContact CE1-CE2 4.23Å; Y84-Y156 AromaticContact CE1-CG 3.94Å; Y84-Y156 HydrophobicContact CE1-CG 3.94Å; Y85-Y156 PolarHBondContact N-O 2.88Å; Y156-Y158 HydrophobicContact CG-CE2 4.3Å; Y156-T241 WeakPolarHBondContact CA-O 3.43Å
157	G	98.8	Very high	96.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.6	166.9	0	0	0	0	0	110.2	T241 M242 R243	G157-T241 PolarHBondContact N-O 2.89Å; G157-T241 VanDerWaalsContact N-O 3.15Å; G157-M242 CarbonylContact O-C 3.51Å; G157-M242 WeakPolarHBondContact O-CA 3.36Å; G157-R243 PolarHBondContact O-N 3.23Å
158	Y	98.9	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.9	175.7	-82.2	-95.7	0	0	0	111.1	Y84 Y85 S87 F90 Y156 R243 W245 T304 D307 R311	Y84-Y158 HydrophobicContact CD1-CD2 4.04Å; Y84-Y158 AromaticContact CD1-CE2 3.54Å; Y84-Y158 HydrophobicContact CD1-CE2 3.54Å; Y84-Y158 AromaticContact CE1-CE2 3.95Å; Y84-Y158 HydrophobicContact CE1-CE2 3.95Å; Y85-Y158 PolarHBondContact O-N 3.48Å; S87-Y158 PolarHBondContact N-O 3.4Å; S87-Y158 VanDerWaalsContact O-O 3.14Å; F90-Y158 WeakPolarHBondContact CE2-O 3.34Å; Y156-Y158 HydrophobicContact CG-CE2 4.3Å; Y158-R243 WeakPolarHBondContact CA-O 3.37Å; Y158-R243 HydrophobicContact CD1-CB 4.03Å; Y158-R243 HydrophobicContact CD1-CG 4.04Å; Y158-R243 HydrophobicContact CE1-CB 3.91Å; Y158-R243 HydrophobicContact CE1-CG 3.76Å; Y158-W245 HydrophobicContact CD1-CZ2 4.17Å; Y158-W245 AromaticContact CD1-NE1 3.57Å; Y158-W245 AromaticContact CE1-CZ2 3.79Å; Y158-W245 HydrophobicContact CE1-CZ2 3.79Å; Y158-T304 HydrophobicContact CD1-CG2 3.49Å; Y158-T304 VanDerWaalsContact CD1-CG2 3.49Å; Y158-T304 VanDerWaalsContact CD1-OG1 3.24Å; Y158-T304 WeakPolarHBondContact CD1-OG1 3.23Å; Y158-T304 HydrophobicContact CD2-CG2 3.93Å; Y158-T304 HydrophobicContact CE1-CG2 3.94Å; Y158-T304 HydrophobicContact CE2-CG2 4.38Å; Y158-T304 HydrophobicContact CG-CG2 3.45Å; Y158-T304 VanDerWaalsContact CG-CG2 3.45Å; Y158-D307 HydrophobicContact CE1-CB 4.45Å; Y158-D307 PolarHBondContact OH-OD2 2.95Å; Y158-R311 PolarHBondContact OH-NH1 3.4Å; Y158-R311 PolarHBondContact OH-NH2 2.83Å; Y158-R311 VanDerWaalsContact OH-NH2 3.08Å
159	G	98.5	Very high	96	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	-163.8	-178.6	0	0	0	0	0	113.2	S87 R243 L244 W245	S87-G159 VanDerWaalsContact O-CA 3.23Å; S87-G159 WeakPolarHBondContact O-CA 3.26Å; G159-R243 PolarHBondContact N-O 2.99Å; G159-R243 VanDerWaalsContact N-O 3.1Å; G159-L244 WeakPolarHBondContact O-CA 3.48Å; G159-W245 PolarHBondContact O-N 2.88Å
160	I	98.4	Very high	95.9	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.015	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.1	178.6	-58.6	178.9	0	0	0	109.4	Y162 Q296 V300	I160-Y162 HydrophobicContact CB-CD1 4.38Å; I160-Y162 HydrophobicContact CB-CD2 4.37Å; I160-Y162 HydrophobicContact CB-CE1 3.91Å; I160-Y162 HydrophobicContact CB-CE2 3.89Å; I160-Y162 HydrophobicContact CD1-CE1 4.18Å; I160-Y162 HydrophobicContact CG2-CD1 3.78Å; I160-Y162 HydrophobicContact CG2-CD2 4.46Å; I160-Y162 HydrophobicContact CG2-CE1 3.64Å; I160-Y162 HydrophobicContact CG2-CE2 4.33Å; I160-Y162 HydrophobicContact CG2-CG 4.21Å; I160-Y162 PolarHBondContact O-N 2.76Å; I160-Q296 HydrophobicContact CD1-CB 3.75Å; I160-Q296 HydrophobicContact CD1-CG 4.16Å; I160-Q296 WeakPolarHBondContact CD1-O 3.45Å; I160-V300 HydrophobicContact CD1-CB 4.31Å; I160-V300 HydrophobicContact CG1-CB 3.91Å; I160-V300 HydrophobicContact CG1-CG2 4.38Å
161	R	98.2	Very high	95.9	Very high	32 Å²	32	19.9 Å²	19.9	12%	0.121	10%	0.099	C	C	.	.			trans	-86.3	83	171.7	-173.8	-178.4	174.3	-82	8.1	108.4	E163 L184 E191 Y227 L244 W245	R161-E163 PolarHBondContact O-N 3.18Å; R161-L184 VanDerWaalsContact CZ-CD1 3.43Å; R161-L184 VanDerWaalsContact NH1-CD1 3.3Å; R161-L184 VanDerWaalsContact NH2-CD1 3.33Å; R161-E191 IonicContact CZ-OE1 3.49Å; R161-E191 IonicContact CZ-OE2 3.51Å; R161-E191 IonicContact NE-OE1 3Å; R161-E191 PolarHBondContact NE-OE1 3.19Å; R161-E191 IonicContact NE-OE2 2.74Å; R161-E191 PolarHBondContact NE-OE2 2.95Å; R161-E191 IonicContact NH2-OE1 3.35Å; R161-E191 PolarHBondContact NH2-OE1 3.5Å; R161-E191 IonicContact NH2-OE2 3.52Å; R161-E191 PolarHBondContact NH2-OE2 2.98Å; R161-Y227 VanDerWaalsContact CD-CG 3.44Å; R161-L244 HydrophobicContact CB-CB 3.69Å; R161-W245 PolarHBondContact N-O 3.46Å
162	Y	97	Very high	95.8	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.115	C	C	.	.			trans	-66.2	131.8	176.2	-55.6	-76.9	0	0	0	110.8	L88 L132 I160 F164 W183 S277 V279 L280	L88-Y162 WeakPolarHBondContact O-CE2 3.48Å; L88-Y162 PolarHBondContact O-OH 3.42Å; L88-Y162 VanDerWaalsContact O-OH 3.04Å; L132-Y162 HydrophobicContact CB-CD2 4.5Å; L132-Y162 HydrophobicContact CD2-CD2 4.14Å; I160-Y162 HydrophobicContact CB-CD1 4.38Å; I160-Y162 HydrophobicContact CB-CD2 4.37Å; I160-Y162 HydrophobicContact CB-CE1 3.91Å; I160-Y162 HydrophobicContact CB-CE2 3.89Å; I160-Y162 HydrophobicContact CD1-CE1 4.18Å; I160-Y162 HydrophobicContact CG2-CD1 3.78Å; I160-Y162 HydrophobicContact CG2-CD2 4.46Å; I160-Y162 HydrophobicContact CG2-CE1 3.64Å; I160-Y162 HydrophobicContact CG2-CE2 4.33Å; I160-Y162 HydrophobicContact CG2-CG 4.21Å; I160-Y162 PolarHBondContact O-N 2.76Å; Y162-F164 VanDerWaalsContact C-N 3.33Å; Y162-F164 WeakPolarHBondContact CB-O 3.15Å; Y162-W183 PolarHBondContact O-NE1 3.38Å; Y162-S277 VanDerWaalsContact CA-O 3.3Å; Y162-S277 WeakPolarHBondContact CA-O 3.45Å; Y162-V279 VanDerWaalsContact CD1-C 3.49Å; Y162-V279 WeakPolarHBondContact CD1-O 3.45Å; Y162-L280 HydrophobicContact CD1-CB 4.32Å; Y162-L280 HydrophobicContact CD2-CB 4.03Å; Y162-L280 HydrophobicContact CD2-CD1 4Å; Y162-L280 HydrophobicContact CE1-CD1 4.46Å; Y162-L280 HydrophobicContact CE2-CB 4.26Å; Y162-L280 HydrophobicContact CE2-CD1 3.44Å; Y162-L280 VanDerWaalsContact CE2-CD1 3.44Å; Y162-L280 HydrophobicContact CE2-CG 4.41Å; Y162-L280 HydrophobicContact CG-CB 4.05Å
163	E	93.8	Very high	95.8	Very high	67 Å²	67	28 Å²	28	31%	0.313	14%	0.141	S	C	.	.	S	Bend	trans	-66.3	-41.5	173.6	-170.3	173.3	170.2	0	0	111.3	R161 W183 L184 S277 R278	R161-E163 PolarHBondContact O-N 3.18Å; E163-W183 VanDerWaalsContact O-CD1 3.29Å; E163-W183 PolarHBondContact O-NE1 3.46Å; E163-L184 HydrophobicContact CG-CD1 4.46Å; E163-S277 PolarHBondContact N-O 2.84Å; E163-R278 PolarHBondContact N-O 2.87Å; E163-R278 IonicContact OE1-NH1 2.83Å; E163-R278 WeakPolarHBondContact OE2-CD 3.48Å; E163-R278 IonicContact OE2-CZ 3.98Å; E163-R278 IonicContact OE2-NE 3.86Å; E163-R278 IonicContact OE2-NH1 2.71Å; E163-R278 PolarHBondContact OE2-NH1 2.85Å
164	F	92.3	Very high	95.7	Very high	50 Å²	50	28.2 Å²	28.2	22%	0.219	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-112.6	120.1	171.7	-55.4	-72.4	0	0	0	110	Y162 A180 D181 D182 R278 V279 L280	Y162-F164 VanDerWaalsContact C-N 3.33Å; Y162-F164 WeakPolarHBondContact CB-O 3.15Å; F164-A180 HydrophobicContact CD1-CB 3.86Å; F164-A180 HydrophobicContact CE1-CB 4.1Å; F164-A180 HydrophobicContact CG-CB 4.46Å; F164-D181 WeakPolarHBondContact CA-O 3.48Å; F164-D182 HydrophobicContact CD1-CB 4.29Å; F164-D182 HydrophobicContact CE1-CB 3.93Å; F164-R278 HydrophobicContact CD2-CG 4.01Å; F164-R278 HydrophobicContact CE2-CG 4.16Å; F164-R278 PolarHBondContact N-O 2.81Å; F164-V279 HydrophobicContact CB-CG2 4.46Å; F164-V279 WeakPolarHBondContact O-CA 3.32Å; F164-L280 PolarHBondContact O-N 2.86Å
165	G	87	Confident	95.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	16%	0.156	C	C	.	.			trans	-72	-154.5	175.2	0	0	0	0	0	112.8	G131 F167 D181	G131-G165 CarbonylContact O-C 3.56Å; G131-G165 WeakPolarHBondContact O-CA 3.3Å; G165-F167 PolarHBondContact O-N 3.11Å; G165-D181 PolarHBondContact N-O 3.37Å
166	I	86	Confident	95.7	Very high	16 Å²	16	32 Å²	32	8%	0.082	16%	0.157	C	C	.	.	S	Bend	trans	-63.2	124.7	168	178.7	65.7	0	0	0	109.4	Y91 G131 G133 N134 D181 L280 K609	Y91-I166 HydrophobicContact CE1-CG2 4.42Å; G131-I166 PolarHBondContact O-N 3.08Å; G133-I166 WeakPolarHBondContact O-CG2 3.41Å; N134-I166 WeakPolarHBondContact OD1-CD1 3.49Å; I166-D181 WeakPolarHBondContact O-CB 3.29Å; I166-L280 HydrophobicContact CB-CD2 4.18Å; I166-K609 HydrophobicContact CD1-CD 4.26Å; I166-K609 HydrophobicContact CG1-CD 3.61Å
167	F	91.7	Very high	95.5	Very high	27 Å²	27	34.8 Å²	34.8	12%	0.118	17%	0.174	C	C	.	.			trans	-43.4	143.8	-177.2	65.4	-97.6	0	0	0	113.5	G165 Q169 E178 E179 K609 A610 P612	G165-F167 PolarHBondContact O-N 3.11Å; F167-Q169 HydrophobicContact CE2-CB 4.21Å; F167-Q169 PolarHBondContact O-N 3.07Å; F167-E178 HydrophobicContact CB-CB 4.11Å; F167-E178 HydrophobicContact CB-CG 4.45Å; F167-E178 HydrophobicContact CD1-CG 3.99Å; F167-E178 HydrophobicContact CD2-CB 3.82Å; F167-E178 HydrophobicContact CD2-CG 3.48Å; F167-E178 VanDerWaalsContact CD2-CG 3.48Å; F167-E178 HydrophobicContact CE1-CG 4.09Å; F167-E178 HydrophobicContact CE2-CB 4.43Å; F167-E178 HydrophobicContact CE2-CG 3.62Å; F167-E178 HydrophobicContact CG-CB 3.9Å; F167-E178 HydrophobicContact CG-CG 3.7Å; F167-E178 HydrophobicContact CZ-CG 3.92Å; F167-E179 CarbonylContact C-O 3.58Å; F167-E179 WeakPolarHBondContact CA-O 3.39Å; F167-E179 WeakPolarHBondContact CB-O 3.17Å; F167-K609 HydrophobicContact CE2-CB 4.26Å; F167-K609 HydrophobicContact CE2-CD 4.05Å; F167-K609 HydrophobicContact CE2-CG 4.26Å; F167-K609 HydrophobicContact CZ-CB 3.88Å; F167-K609 HydrophobicContact CZ-CD 4.19Å; F167-K609 HydrophobicContact CZ-CG 4.33Å; F167-K609 WeakPolarHBondContact O-CE 3.5Å; F167-K609 PolarHBondContact O-NZ 3.4Å; F167-A610 VanDerWaalsContact CZ-O 3.24Å; F167-A610 WeakPolarHBondContact CZ-O 3.46Å; F167-P612 HydrophobicContact CD1-CG 4.12Å; F167-P612 HydrophobicContact CE1-CG 3.86Å
168	N	94.1	Very high	95.3	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.214	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.1	168.9	-80.2	-51	0	0	0	109.5	E179 D181 N648	N168-E179 HydrophobicContact CB-CB 4.25Å; N168-E179 PolarHBondContact N-O 3.01Å; N168-E179 PolarHBondContact O-N 3.17Å; N168-D181 PolarHBondContact ND2-OD1 3.42Å; N168-N648 PolarHBondContact OD1-ND2 2.95Å
169	Q	96.6	Very high	95.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.4	179.7	-170.6	-169	39.7	0	0	109.5	F167 I171 Q176 G608 K609 E647 N648	F167-Q169 HydrophobicContact CE2-CB 4.21Å; F167-Q169 PolarHBondContact O-N 3.07Å; Q169-I171 HydrophobicContact CG-CD1 4.35Å; Q169-Q176 HydrophobicContact CG-CG 3.85Å; Q169-G608 PolarHBondContact NE2-O 3.21Å; Q169-K609 HydrophobicContact CB-CG 4.24Å; Q169-E647 WeakPolarHBondContact O-CG 3.28Å; Q169-N648 HydrophobicContact CB-CB 4.1Å; Q169-N648 PolarHBondContact N-OD1 3.09Å; Q169-N648 WeakPolarHBondContact O-CB 3.49Å
170	K	97.2	Very high	94.8	Very high	80 Å²	80	45.7 Å²	45.7	35%	0.348	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.2	165.8	-68.7	-56.8	-172.1	178.8	0	110.7	V172 Q176 V177 E179 E647	K170-V172 HydrophobicContact CB-CG2 4.4Å; K170-Q176 CarbonylContact O-C 3.48Å; K170-Q176 WeakPolarHBondContact O-CA 3.22Å; K170-V177 HydrophobicContact CB-CB 4.36Å; K170-V177 PolarHBondContact N-O 3.42Å; K170-V177 PolarHBondContact O-N 3.48Å; K170-E179 VanDerWaalsContact CG-CD 3.5Å; K170-E179 HydrophobicContact CG-CG 4.23Å; K170-E647 VanDerWaalsContact CD-OE1 3.23Å; K170-E647 WeakPolarHBondContact CD-OE1 3.36Å; K170-E647 IonicContact NZ-OE1 3.28Å; K170-E647 PolarHBondContact NZ-OE1 2.85Å
171	I	97.1	Very high	94.4	Very high	43 Å²	43	46 Å²	46	22%	0.221	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106.3	172.1	-56.6	-57.5	0	0	0	109.2	Q169 W175 I621 T625 F645 E647	Q169-I171 HydrophobicContact CG-CD1 4.35Å; I171-W175 CarbonylContact C-O 3.59Å; I171-W175 WeakPolarHBondContact CA-O 3.28Å; I171-I621 HydrophobicContact CD1-CG2 3.88Å; I171-T625 HydrophobicContact CG2-CG2 4.01Å; I171-F645 HydrophobicContact CD1-CD1 3.88Å; I171-F645 HydrophobicContact CD1-CE1 3.6Å; I171-F645 HydrophobicContact CD1-CZ 4.42Å; I171-F645 HydrophobicContact CG1-CD1 3.82Å; I171-F645 HydrophobicContact CG1-CE1 3.97Å; I171-E647 HydrophobicContact CG1-CB 4.23Å; I171-E647 HydrophobicContact CG1-CG 4.22Å; I171-E647 PolarHBondContact N-OE2 2.9Å
172	V	97.1	Very high	94.1	Very high	73 Å²	73	47 Å²	47	44%	0.442	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.1	179.8	-176.7	0	0	0	0	108.7	K170 G174 W175 V177	K170-V172 HydrophobicContact CB-CG2 4.4Å; V172-G174 PolarHBondContact O-N 3.33Å; V172-G174 VanDerWaalsContact O-N 3.14Å; V172-W175 PolarHBondContact N-O 2.79Å; V172-W175 PolarHBondContact O-N 2.8Å; V172-V177 HydrophobicContact CB-CG2 3.92Å; V172-V177 HydrophobicContact CG2-CB 4.38Å; V172-V177 HydrophobicContact CG2-CG2 3.87Å
173	N	95.1	Very high	94.1	Very high	139 Å²	139	47.8 Å²	47.8	74%	0.743	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	34	-175.3	-57.4	-41.5	0	0	0	113.3	W175 K622	N173-W175 VanDerWaalsContact C-N 3.29Å; N173-W175 PolarHBondContact O-N 2.96Å; N173-K622 PolarHBondContact O-NZ 2.96Å
174	G	96	Very high	94.2	Very high	9 Å²	9	45.7 Å²	45.7	9%	0.093	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-2.5	-177.4	0	0	0	0	0	115.4	V172 K622 T625	V172-G174 PolarHBondContact O-N 3.33Å; V172-G174 VanDerWaalsContact O-N 3.14Å; G174-K622 WeakPolarHBondContact O-CA 3.46Å; G174-T625 WeakPolarHBondContact CA-OG1 3.47Å; G174-T625 PolarHBondContact O-OG1 3.07Å
175	W	98	Very high	94.4	Very high	81 Å²	81	49.9 Å²	49.9	31%	0.307	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.9	178	-68.2	98.2	0	0	0	111.9	I171 V172 N173 V177 L619 K622	I171-W175 CarbonylContact C-O 3.59Å; I171-W175 WeakPolarHBondContact CA-O 3.28Å; V172-W175 PolarHBondContact N-O 2.79Å; V172-W175 PolarHBondContact O-N 2.8Å; N173-W175 VanDerWaalsContact C-N 3.29Å; N173-W175 PolarHBondContact O-N 2.96Å; W175-V177 PolarHBondContact O-N 2.88Å; W175-L619 HydrophobicContact CH2-CD2 3.59Å; W175-L619 HydrophobicContact CH2-CG 4.49Å; W175-L619 HydrophobicContact CZ3-CD2 4.05Å; W175-K622 HydrophobicContact CD2-CB 4.01Å; W175-K622 HydrophobicContact CD2-CD 4.03Å; W175-K622 HydrophobicContact CD2-CG 4.01Å; W175-K622 HydrophobicContact CE3-CB 3.87Å; W175-K622 HydrophobicContact CE3-CG 4.31Å; W175-K622 HydrophobicContact CG-CD 4.18Å; W175-K622 HydrophobicContact CH2-CB 4.13Å; W175-K622 HydrophobicContact CH2-CG 4.07Å; W175-K622 HydrophobicContact CZ2-CB 4.24Å; W175-K622 HydrophobicContact CZ2-CD 4.27Å; W175-K622 HydrophobicContact CZ2-CG 3.73Å; W175-K622 HydrophobicContact CZ3-CB 3.93Å; W175-K622 HydrophobicContact CZ3-CG 4.34Å
176	Q	98	Very high	94.8	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.6	167.3	171	173.2	-61.1	0	0	110.3	Q169 K170 E178 A610 I621	Q169-Q176 HydrophobicContact CG-CG 3.85Å; K170-Q176 CarbonylContact O-C 3.48Å; K170-Q176 WeakPolarHBondContact O-CA 3.22Å; Q176-E178 WeakPolarHBondContact CG-OE1 3.3Å; Q176-E178 PolarHBondContact NE2-OE1 2.82Å; Q176-A610 PolarHBondContact NE2-O 3.01Å; Q176-I621 HydrophobicContact CB-CD1 3.96Å; Q176-I621 HydrophobicContact CB-CG2 4.5Å
177	V	96.5	Very high	95.3	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.358	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.4	166.8	179	0	0	0	0	108.1	K170 V172 W175	K170-V177 HydrophobicContact CB-CB 4.36Å; K170-V177 PolarHBondContact N-O 3.42Å; K170-V177 PolarHBondContact O-N 3.48Å; V172-V177 HydrophobicContact CB-CG2 3.92Å; V172-V177 HydrophobicContact CG2-CB 4.38Å; V172-V177 HydrophobicContact CG2-CG2 3.87Å; W175-V177 PolarHBondContact O-N 2.88Å
178	E	94.2	Very high	95.6	Very high	61 Å²	61	56.4 Å²	56.4	29%	0.285	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.9	178	-62.8	84.7	-161.5	0	0	111.2	F167 Q176 P612 K618	F167-E178 HydrophobicContact CB-CB 4.11Å; F167-E178 HydrophobicContact CB-CG 4.45Å; F167-E178 HydrophobicContact CD1-CG 3.99Å; F167-E178 HydrophobicContact CD2-CB 3.82Å; F167-E178 HydrophobicContact CD2-CG 3.48Å; F167-E178 VanDerWaalsContact CD2-CG 3.48Å; F167-E178 HydrophobicContact CE1-CG 4.09Å; F167-E178 HydrophobicContact CE2-CB 4.43Å; F167-E178 HydrophobicContact CE2-CG 3.62Å; F167-E178 HydrophobicContact CG-CB 3.9Å; F167-E178 HydrophobicContact CG-CG 3.7Å; F167-E178 HydrophobicContact CZ-CG 3.92Å; Q176-E178 WeakPolarHBondContact CG-OE1 3.3Å; Q176-E178 PolarHBondContact NE2-OE1 2.82Å; E178-P612 HydrophobicContact CG-CB 4.39Å; E178-P612 HydrophobicContact CG-CG 4.13Å; E178-K618 VanDerWaalsContact CD-NZ 3.26Å; E178-K618 WeakPolarHBondContact OE1-CE 3.5Å; E178-K618 IonicContact OE1-NZ 3.03Å; E178-K618 PolarHBondContact OE1-NZ 2.82Å; E178-K618 IonicContact OE2-NZ 3.65Å; E178-K618 PolarHBondContact OE2-NZ 3.14Å
179	E	93.7	Very high	95.8	Very high	98 Å²	98	55.2 Å²	55.2	46%	0.458	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.2	170	-67	179.2	172	0	0	109.9	F167 N168 K170 D181	F167-E179 CarbonylContact C-O 3.58Å; F167-E179 WeakPolarHBondContact CA-O 3.39Å; F167-E179 WeakPolarHBondContact CB-O 3.17Å; N168-E179 HydrophobicContact CB-CB 4.25Å; N168-E179 PolarHBondContact N-O 3.01Å; N168-E179 PolarHBondContact O-N 3.17Å; K170-E179 VanDerWaalsContact CG-CD 3.5Å; K170-E179 HydrophobicContact CG-CG 4.23Å; E179-D181 PolarHBondContact O-N 3.33Å
180	A	92.1	Very high	95.9	Very high	70 Å²	70	55.5 Å²	55.5	58%	0.579	29%	0.288	S	S	*	.			trans	-61.3	138	177.9	0	0	0	0	0	111.2	F164 D182	F164-A180 HydrophobicContact CD1-CB 3.86Å; F164-A180 HydrophobicContact CE1-CB 4.1Å; F164-A180 HydrophobicContact CG-CB 4.46Å; A180-D182 PolarHBondContact O-N 2.75Å
181	D	90.9	Very high	96	Very high	11 Å²	11	53 Å²	53	6%	0.059	28%	0.278	C	S	.	.			trans	-90	82.1	176.1	-179.8	37.2	0	0	0	111	F164 G165 I166 N168 E179 W183	F164-D181 WeakPolarHBondContact CA-O 3.48Å; G165-D181 PolarHBondContact N-O 3.37Å; I166-D181 WeakPolarHBondContact O-CB 3.29Å; N168-D181 PolarHBondContact ND2-OD1 3.42Å; E179-D181 PolarHBondContact O-N 3.33Å; D181-W183 PolarHBondContact O-N 2.95Å
182	D	92.3	Very high	96	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.283	28%	0.283	S	S	.	.			trans	-82	58.1	-178.3	-168.7	9.8	0	0	0	112.1	F164 A180 L184 R185	F164-D182 HydrophobicContact CD1-CB 4.29Å; F164-D182 HydrophobicContact CE1-CB 3.93Å; A180-D182 PolarHBondContact O-N 2.75Å; D182-L184 PolarHBondContact O-N 2.88Å; D182-R185 HydrophobicContact CB-CB 4.47Å; D182-R185 WeakPolarHBondContact O-CB 3.17Å; D182-R185 PolarHBondContact O-N 3.06Å; D182-R185 PolarHBondContact OD1-N 3.16Å; D182-R185 WeakPolarHBondContact OD2-CB 3.39Å
183	W	95.8	Very high	96.1	Very high	16 Å²	16	52.5 Å²	52.5	6%	0.061	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.8	-176.1	74.2	-73.4	0	0	0	113.3	E128 A130 L132 Y162 E163 D181 N188	E128-W183 HydrophobicContact CB-CB 4.32Å; A130-W183 HydrophobicContact CB-CE3 4.06Å; A130-W183 HydrophobicContact CB-CH2 4.38Å; A130-W183 HydrophobicContact CB-CZ3 3.82Å; L132-W183 HydrophobicContact CD1-CH2 4.29Å; L132-W183 HydrophobicContact CD1-CZ2 4.12Å; L132-W183 HydrophobicContact CD2-CZ2 3.73Å; L132-W183 HydrophobicContact CG-CZ2 4.22Å; Y162-W183 PolarHBondContact O-NE1 3.38Å; E163-W183 VanDerWaalsContact O-CD1 3.29Å; E163-W183 PolarHBondContact O-NE1 3.46Å; D181-W183 PolarHBondContact O-N 2.95Å; W183-N188 HydrophobicContact CZ3-CB 4.16Å
184	L	96.6	Very high	96.2	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.12	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-6.6	179.4	-68	172.3	0	0	0	114.2	R161 E163 D182 Y186 G187 N188	R161-L184 VanDerWaalsContact CZ-CD1 3.43Å; R161-L184 VanDerWaalsContact NH1-CD1 3.3Å; R161-L184 VanDerWaalsContact NH2-CD1 3.33Å; E163-L184 HydrophobicContact CG-CD1 4.46Å; D182-L184 PolarHBondContact O-N 2.88Å; L184-Y186 PolarHBondContact O-N 3.24Å; L184-G187 WeakPolarHBondContact O-CA 3.35Å; L184-G187 PolarHBondContact O-N 2.85Å; L184-N188 HydrophobicContact CD2-CB 3.8Å
185	R	96	Very high	96.2	Very high	139 Å²	139	52 Å²	52	53%	0.525	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	-42.6	-176.6	-175.1	169.9	51.9	-152.1	-10.8	114.7	D182	D182-R185 HydrophobicContact CB-CB 4.47Å; D182-R185 WeakPolarHBondContact O-CB 3.17Å; D182-R185 PolarHBondContact O-N 3.06Å; D182-R185 PolarHBondContact OD1-N 3.16Å; D182-R185 WeakPolarHBondContact OD2-CB 3.39Å
186	Y	96.4	Very high	96.1	Very high	113 Å²	113	53 Å²	53	44%	0.443	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	4.9	-176.9	-58.3	-67.7	0	0	0	113	R50 F54 L184	R50-Y186 VanDerWaalsContact CZ-CD2 3.42Å; R50-Y186 VanDerWaalsContact CZ-CE2 3.42Å; F54-Y186 WeakPolarHBondContact CZ-O 3.29Å; L184-Y186 PolarHBondContact O-N 3.24Å
187	G	96.5	Very high	96	Very high	40 Å²	40	55.5 Å²	55.5	41%	0.412	28%	0.284	S	S	.	.			trans	86.1	155.5	-170.5	0	0	0	0	0	113.1	L184	L184-G187 WeakPolarHBondContact O-CA 3.35Å; L184-G187 PolarHBondContact O-N 2.85Å
188	N	98.1	Very high	95.9	Very high	28 Å²	28	55.9 Å²	55.9	15%	0.15	28%	0.283	C	S	.	.			trans	-110.5	111.2	173.4	172	11.7	0	0	0	108.5	W183 L184 W190 E191	W183-N188 HydrophobicContact CZ3-CB 4.16Å; L184-N188 HydrophobicContact CD2-CB 3.8Å; N188-W190 PolarHBondContact O-N 3.12Å; N188-W190 WeakPolarHBondContact OD1-CB 3.42Å; N188-W190 PolarHBondContact OD1-N 2.88Å; N188-E191 HydrophobicContact CB-CG 3.9Å; N188-E191 WeakPolarHBondContact ND2-CG 3.45Å; N188-E191 PolarHBondContact ND2-OE2 3.42Å
189	P	98	Very high	96	Very high	14 Å²	14	54.1 Å²	54.1	9%	0.091	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-17.3	-175.3	29	-31.8	0	0	0	112.5	F53 F54 A57 R61	F53-P189 HydrophobicContact CZ-CG 4.43Å; F54-P189 HydrophobicContact CD1-CB 4.19Å; F54-P189 HydrophobicContact CD1-CG 4.19Å; F54-P189 HydrophobicContact CE1-CB 4.33Å; F54-P189 HydrophobicContact CE1-CG 4.11Å; A57-P189 HydrophobicContact CB-CB 4.09Å; A57-P189 HydrophobicContact CB-CG 3.78Å; R61-P189 WeakPolarHBondContact CD-O 3.47Å; R61-P189 PolarHBondContact NE-O 3.23Å; R61-P189 VanDerWaalsContact NE-O 3.15Å
190	W	98.5	Very high	96.2	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.027	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-28	-172.3	-54.3	111.3	0	0	0	113.9	A57 V60 R61 L64 T95 L96 T99 E127 N188 T229 P230	A57-W190 HydrophobicContact CB-CH2 4.31Å; A57-W190 HydrophobicContact CB-CZ2 3.96Å; V60-W190 HydrophobicContact CB-CH2 4.37Å; V60-W190 HydrophobicContact CG1-CH2 4.21Å; V60-W190 HydrophobicContact CG1-CZ3 4.48Å; R61-W190 HydrophobicContact CB-CE3 4.32Å; R61-W190 HydrophobicContact CB-CZ3 4Å; L64-W190 HydrophobicContact CD1-CZ3 4.44Å; T95-W190 HydrophobicContact CG2-CD2 3.6Å; T95-W190 HydrophobicContact CG2-CE3 3.95Å; T95-W190 HydrophobicContact CG2-CG 3.87Å; T95-W190 HydrophobicContact CG2-CZ2 4.31Å; T95-W190 HydrophobicContact CG2-CZ3 4.43Å; L96-W190 VanDerWaalsContact CA-CZ2 3.47Å; L96-W190 HydrophobicContact CB-CH2 4.45Å; L96-W190 HydrophobicContact CB-CZ2 3.82Å; L96-W190 HydrophobicContact CD1-CH2 3.92Å; L96-W190 HydrophobicContact CD1-CZ2 3.99Å; T99-W190 HydrophobicContact CG2-CZ3 4.41Å; E127-W190 PolarHBondContact OE1-NE1 3.22Å; N188-W190 PolarHBondContact O-N 3.12Å; N188-W190 WeakPolarHBondContact OD1-CB 3.42Å; N188-W190 PolarHBondContact OD1-N 2.88Å; W190-T229 HydrophobicContact CB-CG2 4.32Å; W190-P230 VanDerWaalsContact O-CD 3.22Å; W190-P230 WeakPolarHBondContact O-CD 3.4Å
191	E	98.3	Very high	96.5	Very high	28 Å²	28	48.4 Å²	48.4	13%	0.131	24%	0.241	C	C	.	.			trans	-81.7	153.4	-176.9	66.2	-175.5	-162.2	0	0	112.8	R161 N188 Y227 D228	R161-E191 IonicContact CZ-OE1 3.49Å; R161-E191 IonicContact CZ-OE2 3.51Å; R161-E191 IonicContact NE-OE1 3Å; R161-E191 PolarHBondContact NE-OE1 3.19Å; R161-E191 IonicContact NE-OE2 2.74Å; R161-E191 PolarHBondContact NE-OE2 2.95Å; R161-E191 IonicContact NH2-OE1 3.35Å; R161-E191 PolarHBondContact NH2-OE1 3.5Å; R161-E191 IonicContact NH2-OE2 3.52Å; R161-E191 PolarHBondContact NH2-OE2 2.98Å; N188-E191 HydrophobicContact CB-CG 3.9Å; N188-E191 WeakPolarHBondContact ND2-CG 3.45Å; N188-E191 PolarHBondContact ND2-OE2 3.42Å; E191-Y227 HydrophobicContact CB-CD1 4.36Å; E191-Y227 HydrophobicContact CG-CD1 4.11Å; E191-D228 CarbonylContact C-O 3.18Å; E191-D228 WeakPolarHBondContact CA-O 3.19Å
192	K	98.4	Very high	96.8	Very high	77 Å²	77	50.6 Å²	50.6	34%	0.335	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	111.9	170.1	-178.1	67.6	-172.1	81.5	0	109.6	W68 D228	W68-K192 HydrophobicContact CH2-CB 4.41Å; W68-K192 HydrophobicContact CZ3-CB 4.4Å; K192-D228 PolarHBondContact N-O 3.01Å; K192-D228 PolarHBondContact O-N 3.03Å
193	A	98.3	Very high	97.1	Very high	28 Å²	28	48.1 Å²	48.1	23%	0.231	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	137.9	169.3	0	0	0	0	0	110.8	P195 Y227	A193-P195 VanDerWaalsContact C-CD 3.45Å; A193-Y227 HydrophobicContact CB-CD1 3.96Å; A193-Y227 HydrophobicContact CB-CE1 3.52Å
194	R	97.8	Very high	97.1	Very high	68 Å²	68	49.8 Å²	49.8	26%	0.257	24%	0.244	S	C	.	.			trans	-126.6	62.7	178.5	-64.7	-64.8	-175.1	-178	-1.1	111.4	E196 Y197 P226 D228	R194-E196 VanDerWaalsContact CA-OE2 3.25Å; R194-E196 WeakPolarHBondContact CA-OE2 3.28Å; R194-E196 WeakPolarHBondContact CD-OE1 3.3Å; R194-E196 IonicContact NH1-OE1 2.6Å; R194-E196 PolarHBondContact NH1-OE1 3.4Å; R194-E196 PolarHBondContact O-N 2.88Å; R194-Y197 HydrophobicContact CB-CD2 3.97Å; R194-Y197 HydrophobicContact CG-CD2 4.43Å; R194-Y197 PolarHBondContact O-N 3.05Å; R194-P226 HydrophobicContact CB-CB 4.39Å; R194-P226 HydrophobicContact CB-CG 3.94Å; R194-P226 PolarHBondContact N-O 3.35Å; R194-P226 WeakPolarHBondContact O-CD 3.45Å; R194-P226 WeakPolarHBondContact O-CG 3.47Å; R194-D228 WeakPolarHBondContact CG-OD2 3.3Å; R194-D228 IonicContact NE-OD2 3.66Å
195	P	96.6	Very high	97.1	Very high	70 Å²	70	50.1 Å²	50.1	46%	0.455	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-57.3	-23.9	-178.6	26.4	-36.1	0	0	0	113.2	A193 Y197 M198	A193-P195 VanDerWaalsContact C-CD 3.45Å; P195-Y197 PolarHBondContact O-N 3Å; P195-M198 HydrophobicContact CB-CE 4.36Å; P195-M198 WeakPolarHBondContact O-CB 3.45Å; P195-M198 PolarHBondContact O-N 2.97Å
196	E	95.1	Very high	97.2	Very high	102 Å²	102	48.6 Å²	48.6	48%	0.477	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-65.2	-13	175.9	68.8	-88.2	-155.7	0	0	114.8	R194	R194-E196 VanDerWaalsContact CA-OE2 3.25Å; R194-E196 WeakPolarHBondContact CA-OE2 3.28Å; R194-E196 WeakPolarHBondContact CD-OE1 3.3Å; R194-E196 IonicContact NH1-OE1 2.6Å; R194-E196 PolarHBondContact NH1-OE1 3.4Å; R194-E196 PolarHBondContact O-N 2.88Å
197	Y	95.1	Very high	97.3	Very high	61 Å²	61	44.6 Å²	44.6	24%	0.239	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-117.2	29.2	178.2	-59.5	-54.7	0	0	0	112.6	R194 P195 P226	R194-Y197 HydrophobicContact CB-CD2 3.97Å; R194-Y197 HydrophobicContact CG-CD2 4.43Å; R194-Y197 PolarHBondContact O-N 3.05Å; P195-Y197 PolarHBondContact O-N 3Å; Y197-P226 WeakPolarHBondContact O-CG 3.37Å
198	M	95.6	Very high	97.3	Very high	66 Å²	66	46 Å²	46	33%	0.325	23%	0.23	S	C	.	.			trans	-67.2	136.1	176.4	-160.8	173.2	-54.7	0	0	111	P195 L223 A224 M225	P195-M198 HydrophobicContact CB-CE 4.36Å; P195-M198 WeakPolarHBondContact O-CB 3.45Å; P195-M198 PolarHBondContact O-N 2.97Å; M198-L223 HydrophobicContact CG-CB 3.88Å; M198-L223 HydrophobicContact CG-CD1 4.5Å; M198-L223 HydrophobicContact SD-CB 3.7Å; M198-L223 HydrophobicContact SD-CD1 3.59Å; M198-L223 VanDerWaalsContact SD-CD1 3.59Å; M198-L223 HydrophobicContact SD-CG 4.2Å; M198-A224 WeakPolarHBondContact CA-O 3.42Å; M198-M225 HydrophobicContact CE-CB 4.1Å; M198-M225 HydrophobicContact CE-CE 3.82Å; M198-M225 HydrophobicContact CE-CG 3.96Å; M198-M225 HydrophobicContact CE-SD 4.32Å; M198-M225 HydrophobicContact CG-CB 4.47Å
199	L	97.1	Very high	97.2	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.126	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143	-174.7	-66.4	168.8	0	0	0	111.3	L223 A224 W245 A303 Q306 D307	L199-L223 CarbonylContact O-C 3.59Å; L199-L223 WeakPolarHBondContact O-CA 3.5Å; L199-A224 PolarHBondContact N-O 3.39Å; L199-A224 VanDerWaalsContact N-O 3.07Å; L199-A224 PolarHBondContact O-N 2.89Å; L199-W245 HydrophobicContact CD1-CH2 3.79Å; L199-W245 HydrophobicContact CD1-CZ3 4.3Å; L199-A303 WeakPolarHBondContact CD1-O 3.33Å; L199-Q306 HydrophobicContact CD1-CB 3.9Å; L199-Q306 HydrophobicContact CD2-CB 4.49Å; L199-D307 HydrophobicContact CD1-CB 4.06Å
200	P	97.4	Very high	97	Very high	48 Å²	48	51.5 Å²	51.5	31%	0.312	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	142.3	173.7	32.4	-33.6	0	0	0	111.3	V221 L223 Q306	P200-V221 HydrophobicContact CB-CG1 3.88Å; P200-L223 HydrophobicContact CB-CD2 4.46Å; P200-Q306 PolarHBondContact O-NE2 2.82Å
201	V	98.3	Very high	96.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.3	170.3	177	0	0	0	0	107.5	F203 V221 V222 A224 Y298 F299 A302 A303	V201-F203 HydrophobicContact CG1-CD2 4.48Å; V201-F203 HydrophobicContact CG1-CE2 3.77Å; V201-F203 HydrophobicContact CG1-CZ 3.86Å; V201-V221 CarbonylContact O-C 3.57Å; V201-V221 WeakPolarHBondContact O-CA 3.32Å; V201-V222 PolarHBondContact N-O 2.97Å; V201-V222 PolarHBondContact O-N 3.33Å; V201-A224 HydrophobicContact CG2-CB 4.1Å; V201-Y298 HydrophobicContact CG1-CD1 4.09Å; V201-Y298 HydrophobicContact CG1-CE1 4.04Å; V201-F299 HydrophobicContact CB-CD2 4.1Å; V201-F299 HydrophobicContact CG1-CD2 4.17Å; V201-F299 HydrophobicContact CG2-CD2 3.88Å; V201-F299 HydrophobicContact CG2-CE2 4.15Å; V201-A302 HydrophobicContact CG1-CB 3.95Å; V201-A302 HydrophobicContact CG2-CB 4.15Å; V201-A303 HydrophobicContact CG2-CB 4.14Å
202	H	97.4	Very high	96	Very high	58 Å²	58	62.8 Å²	62.8	27%	0.269	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.8	-172.1	-63.5	-90.4	0	0	0	111	W216 T219 Q220 Y298	H202-W216 HydrophobicContact CB-CE3 4.19Å; H202-W216 HydrophobicContact CB-CH2 3.81Å; H202-W216 HydrophobicContact CB-CZ2 4.39Å; H202-W216 HydrophobicContact CB-CZ3 3.67Å; H202-W216 WeakPolarHBondContact O-CH2 3.24Å; H202-T219 HydrophobicContact CB-CG2 4.03Å; H202-T219 PolarHBondContact ND1-OG1 3.24Å; H202-Q220 CarbonylContact C-O 3.55Å; H202-Q220 WeakPolarHBondContact CA-O 3.43Å; H202-Y298 WeakPolarHBondContact O-CE1 3.33Å
203	F	97.2	Very high	95.6	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	159.2	173.6	-65.4	-76.7	0	0	0	110.2	V201 T219 Q220 V222 I276 K295 Y298 F299 L396	V201-F203 HydrophobicContact CG1-CD2 4.48Å; V201-F203 HydrophobicContact CG1-CE2 3.77Å; V201-F203 HydrophobicContact CG1-CZ 3.86Å; F203-T219 CarbonylContact O-C 3.56Å; F203-T219 WeakPolarHBondContact O-CA 3.42Å; F203-T219 WeakPolarHBondContact O-CB 3.33Å; F203-Q220 PolarHBondContact N-O 2.91Å; F203-Q220 PolarHBondContact O-N 2.87Å; F203-V222 HydrophobicContact CD2-CG2 3.99Å; F203-V222 HydrophobicContact CE2-CB 4.22Å; F203-V222 HydrophobicContact CE2-CG2 3.94Å; F203-I276 HydrophobicContact CE2-CD1 3.65Å; F203-I276 HydrophobicContact CZ-CD1 3.87Å; F203-K295 HydrophobicContact CD1-CG 4.02Å; F203-K295 HydrophobicContact CE1-CB 3.93Å; F203-K295 HydrophobicContact CE1-CG 3.75Å; F203-K295 HydrophobicContact CZ-CB 4.11Å; F203-K295 HydrophobicContact CZ-CG 4.25Å; F203-Y298 HydrophobicContact CD1-CD1 4.1Å; F203-Y298 AromaticContact CE1-CD1 3.64Å; F203-Y298 HydrophobicContact CE1-CD1 3.64Å; F203-Y298 HydrophobicContact CE1-CG 4.36Å; F203-Y298 HydrophobicContact CZ-CD1 4.2Å; F203-F299 HydrophobicContact CZ-CB 4.23Å; F203-L396 HydrophobicContact CB-CD1 4.06Å; F203-L396 HydrophobicContact CD1-CD1 3.81Å; F203-L396 HydrophobicContact CD1-CD2 4.45Å; F203-L396 HydrophobicContact CD1-CG 4.09Å; F203-L396 HydrophobicContact CG-CD1 4.32Å
204	Y	96.9	Very high	95.5	Very high	50 Å²	50	60.4 Å²	60.4	20%	0.196	32%	0.32	C	S	.	.	S	Bend	trans	60	-136.6	178.2	-51.3	-73.4	0	0	0	112.7	W216 Q220 E291 K295 K395 L396	Y204-W216 WeakPolarHBondContact O-CZ2 3.31Å; Y204-W216 PolarHBondContact O-NE1 2.95Å; Y204-Q220 HydrophobicContact CD2-CB 4.06Å; Y204-Q220 VanDerWaalsContact CE2-OE1 3.22Å; Y204-E291 VanDerWaalsContact CE1-OE1 3.29Å; Y204-E291 WeakPolarHBondContact CE1-OE1 3.37Å; Y204-E291 VanDerWaalsContact CZ-OE1 3.29Å; Y204-E291 PolarHBondContact OH-OE1 3.06Å; Y204-K295 WeakPolarHBondContact OH-CE 3.47Å; Y204-K295 PolarHBondContact OH-NZ 2.73Å; Y204-K395 WeakPolarHBondContact CA-O 3.37Å; Y204-K395 HydrophobicContact CD1-CG 4.15Å; Y204-K395 WeakPolarHBondContact CD1-O 3.4Å; Y204-K395 HydrophobicContact CE1-CD 4.48Å; Y204-K395 HydrophobicContact CE1-CG 4.26Å; Y204-L396 HydrophobicContact CD1-CD1 3.91Å; Y204-L396 HydrophobicContact CD2-CD1 4.44Å; Y204-L396 HydrophobicContact CE1-CD1 3.53Å; Y204-L396 HydrophobicContact CE2-CD1 4.12Å; Y204-L396 HydrophobicContact CG-CD1 4.35Å; Y204-L396 PolarHBondContact N-O 3.36Å
205	G	96.3	Very high	95.3	Very high	30 Å²	30	61.6 Å²	61.6	31%	0.309	33%	0.327	S	S	.	.			trans	73	-159.5	-179.6	0	0	0	0	0	113.7	L217 D218	G205-L217 CarbonylContact C-O 3.58Å; G205-L217 WeakPolarHBondContact CA-O 3.36Å; G205-D218 WeakPolarHBondContact CA-O 3.48Å
206	R	97.8	Very high	95.4	Very high	108 Å²	108	59.8 Å²	59.8	41%	0.408	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.3	-177.8	63.3	174.3	175.4	92.3	9.6	111.6	E208 L217 D218	R206-E208 IonicContact CZ-OE1 3.98Å; R206-E208 IonicContact NH1-OE1 3.05Å; R206-E208 PolarHBondContact NH1-OE1 3.03Å; R206-E208 IonicContact NH2-OE1 3.01Å; R206-L217 PolarHBondContact N-O 3.26Å; R206-L217 PolarHBondContact O-N 3.36Å; R206-D218 IonicContact CZ-OD2 3.61Å; R206-D218 VanDerWaalsContact CZ-OD2 3.25Å; R206-D218 IonicContact NE-OD2 2.72Å; R206-D218 PolarHBondContact NE-OD2 3.23Å; R206-D218 IonicContact NH2-OD2 3.78Å; R206-D218 PolarHBondContact NH2-OD2 2.99Å
207	V	98.1	Very high	95.4	Very high	29 Å²	29	57.4 Å²	57.4	18%	0.176	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.2	175.1	-174.4	0	0	0	0	109.8	V214 K215 P398 R399	V207-V214 HydrophobicContact CG1-CG1 3.19Å; V207-K215 WeakPolarHBondContact CA-O 3.39Å; V207-P398 HydrophobicContact CG2-CB 4.01Å; V207-P398 HydrophobicContact CG2-CG 4.26Å; V207-R399 HydrophobicContact CG2-CB 3.85Å
208	E	97.5	Very high	95.5	Very high	69 Å²	69	59.9 Å²	59.9	32%	0.322	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.5	173.8	-173.1	171.8	-95.7	0	0	110	R206 T210 V214 K215 L217	R206-E208 IonicContact CZ-OE1 3.98Å; R206-E208 IonicContact NH1-OE1 3.05Å; R206-E208 PolarHBondContact NH1-OE1 3.03Å; R206-E208 IonicContact NH2-OE1 3.01Å; E208-T210 HydrophobicContact CG-CG2 4.02Å; E208-V214 WeakPolarHBondContact O-CA 3.48Å; E208-K215 PolarHBondContact N-O 2.9Å; E208-K215 PolarHBondContact O-N 3.07Å; E208-L217 HydrophobicContact CB-CD1 3.86Å; E208-L217 HydrophobicContact CG-CD1 4.44Å; E208-L217 VanDerWaalsContact OE2-CD1 3.25Å; E208-L217 WeakPolarHBondContact OE2-CD1 3.49Å
209	H	96.1	Very high	95.5	Very high	123 Å²	123	58.3 Å²	58.3	57%	0.569	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.7	178	-68.6	-99.5	0	0	0	109	E402	H209-E402 IonicContact CE1-OE1 2.65Å; H209-E402 IonicContact CE1-OE2 3.49Å; H209-E402 IonicContact NE2-OE1 3.7Å; H209-E402 PolarHBondContact NE2-OE1 2.76Å; H209-E402 IonicContact NE2-OE2 3.86Å; H209-E402 PolarHBondContact NE2-OE2 3.12Å
210	T	93.6	Very high	95.2	Very high	35 Å²	35	60.7 Å²	60.7	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	163.2	179.8	71.5	0	0	0	0	110.4	E208 D212 G213	E208-T210 HydrophobicContact CG-CG2 4.02Å; T210-D212 PolarHBondContact O-N 3.49Å; T210-D212 PolarHBondContact OG1-N 3.44Å; T210-G213 PolarHBondContact N-O 2.81Å; T210-G213 PolarHBondContact O-N 2.94Å; T210-G213 PolarHBondContact OG1-O 2.86Å
211	P	90.1	Very high	95.1	Very high	140 Å²	140	60.5 Å²	60.5	91%	0.909	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.4	172.7	-25.8	35.5	0	0	0	113.9	G213	P211-G213 VanDerWaalsContact C-N 3.26Å; P211-G213 PolarHBondContact O-N 3.14Å
212	D	85.7	Confident	94.9	Very high	132 Å²	132	60.6 Å²	60.6	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	4.1	178.4	-56.2	-39.7	0	0	0	113.3	T210	T210-D212 PolarHBondContact O-N 3.49Å; T210-D212 PolarHBondContact OG1-N 3.44Å
213	G	90.3	Very high	94.9	Very high	28 Å²	28	59.8 Å²	59.8	29%	0.289	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.6	-169.5	179.5	0	0	0	0	0	114.1	T210 P211	T210-G213 PolarHBondContact N-O 2.81Å; T210-G213 PolarHBondContact O-N 2.94Å; T210-G213 PolarHBondContact OG1-O 2.86Å; P211-G213 VanDerWaalsContact C-N 3.26Å; P211-G213 PolarHBondContact O-N 3.14Å
214	V	94.9	Very high	95	Very high	26 Å²	26	59.7 Å²	59.7	16%	0.158	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.6	-175.3	-171.4	0	0	0	0	110.6	V207 E208	V207-V214 HydrophobicContact CG1-CG1 3.19Å; E208-V214 WeakPolarHBondContact O-CA 3.48Å
215	K	95.1	Very high	95	Very high	94 Å²	94	58.4 Å²	58.4	41%	0.409	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.1	176.9	-62.4	-179.2	-175.1	172.5	0	110.6	V207 E208 L217	V207-K215 WeakPolarHBondContact CA-O 3.39Å; E208-K215 PolarHBondContact N-O 2.9Å; E208-K215 PolarHBondContact O-N 3.07Å; K215-L217 HydrophobicContact CB-CD1 4.26Å; K215-L217 HydrophobicContact CB-CD2 3.95Å; K215-L217 HydrophobicContact CB-CG 3.91Å
216	W	97.7	Very high	95.1	Very high	32 Å²	32	57 Å²	57	12%	0.121	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.3	170.8	-173.3	22.4	0	0	0	109	H202 Y204 T219 Y298 L397 R399 H400	H202-W216 HydrophobicContact CB-CE3 4.19Å; H202-W216 HydrophobicContact CB-CH2 3.81Å; H202-W216 HydrophobicContact CB-CZ2 4.39Å; H202-W216 HydrophobicContact CB-CZ3 3.67Å; H202-W216 WeakPolarHBondContact O-CH2 3.24Å; Y204-W216 WeakPolarHBondContact O-CZ2 3.31Å; Y204-W216 PolarHBondContact O-NE1 2.95Å; W216-T219 HydrophobicContact CD2-CG2 3.78Å; W216-T219 VanDerWaalsContact CE2-CG2 3.47Å; W216-T219 HydrophobicContact CE3-CG2 4.5Å; W216-T219 HydrophobicContact CG-CG2 3.95Å; W216-T219 HydrophobicContact CZ2-CG2 3.99Å; W216-Y298 HydrophobicContact CH2-CE1 4.02Å; W216-Y298 HydrophobicContact CZ3-CE1 4.3Å; W216-Y298 WeakPolarHBondContact CZ3-OH 3.33Å; W216-L397 HydrophobicContact CH2-CD2 3.97Å; W216-L397 HydrophobicContact CZ2-CD2 4.37Å; W216-R399 HydrophobicContact CB-CB 4.33Å; W216-R399 HydrophobicContact CD2-CB 4.44Å; W216-R399 HydrophobicContact CG-CB 4.22Å; W216-H400 AromaticContact CH2-CE1 3.95Å; W216-H400 AromaticContact CZ3-CE1 3.72Å
217	L	96.2	Very high	95.2	Very high	51 Å²	51	53.6 Å²	53.6	27%	0.267	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	168.2	-167.5	-59	178.7	0	0	0	111.5	G205 R206 E208 K215 T219	G205-L217 CarbonylContact C-O 3.58Å; G205-L217 WeakPolarHBondContact CA-O 3.36Å; R206-L217 PolarHBondContact N-O 3.26Å; R206-L217 PolarHBondContact O-N 3.36Å; E208-L217 HydrophobicContact CB-CD1 3.86Å; E208-L217 HydrophobicContact CG-CD1 4.44Å; E208-L217 VanDerWaalsContact OE2-CD1 3.25Å; E208-L217 WeakPolarHBondContact OE2-CD1 3.49Å; K215-L217 HydrophobicContact CB-CD1 4.26Å; K215-L217 HydrophobicContact CB-CD2 3.95Å; K215-L217 HydrophobicContact CB-CG 3.91Å; L217-T219 PolarHBondContact O-N 3.3Å
218	D	95.8	Very high	95.2	Very high	113 Å²	113	52.6 Å²	52.6	60%	0.604	28%	0.281	S	S	*	.	S	Bend	trans	56.4	36.2	174.5	-52.9	-29.5	0	0	0	113.7	G205 R206	G205-D218 WeakPolarHBondContact CA-O 3.48Å; R206-D218 IonicContact CZ-OD2 3.61Å; R206-D218 VanDerWaalsContact CZ-OD2 3.25Å; R206-D218 IonicContact NE-OD2 2.72Å; R206-D218 PolarHBondContact NE-OD2 3.23Å; R206-D218 IonicContact NH2-OD2 3.78Å; R206-D218 PolarHBondContact NH2-OD2 2.99Å
219	T	95.3	Very high	95.3	Very high	33 Å²	33	49.8 Å²	49.8	20%	0.202	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-85.3	150.6	-175.9	54.1	0	0	0	0	112.5	H202 F203 W216 L217	H202-T219 HydrophobicContact CB-CG2 4.03Å; H202-T219 PolarHBondContact ND1-OG1 3.24Å; F203-T219 CarbonylContact O-C 3.56Å; F203-T219 WeakPolarHBondContact O-CA 3.42Å; F203-T219 WeakPolarHBondContact O-CB 3.33Å; W216-T219 HydrophobicContact CD2-CG2 3.78Å; W216-T219 VanDerWaalsContact CE2-CG2 3.47Å; W216-T219 HydrophobicContact CE3-CG2 4.5Å; W216-T219 HydrophobicContact CG-CG2 3.95Å; W216-T219 HydrophobicContact CZ2-CG2 3.99Å; L217-T219 PolarHBondContact O-N 3.3Å
220	Q	92.7	Very high	95.4	Very high	74 Å²	74	44.4 Å²	44.4	35%	0.346	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.9	164	-173.2	-179.9	15.3	0	0	109.3	H202 F203 Y204	H202-Q220 CarbonylContact C-O 3.55Å; H202-Q220 WeakPolarHBondContact CA-O 3.43Å; F203-Q220 PolarHBondContact N-O 2.91Å; F203-Q220 PolarHBondContact O-N 2.87Å; Y204-Q220 HydrophobicContact CD2-CB 4.06Å; Y204-Q220 VanDerWaalsContact CE2-OE1 3.22Å
221	V	93.4	Very high	95.6	Very high	45 Å²	45	43.1 Å²	43.1	27%	0.273	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.9	-178.6	-176.3	0	0	0	0	110.9	P200 V201 L223 P250	P200-V221 HydrophobicContact CB-CG1 3.88Å; V201-V221 CarbonylContact O-C 3.57Å; V201-V221 WeakPolarHBondContact O-CA 3.32Å; V221-L223 HydrophobicContact CG1-CD2 4.38Å; V221-P250 WeakPolarHBondContact O-CD 3.23Å
222	V	95.5	Very high	96	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.4	166.9	-179.8	0	0	0	0	108.2	V201 F203 A247 A273 I276 F299	V201-V222 PolarHBondContact N-O 2.97Å; V201-V222 PolarHBondContact O-N 3.33Å; F203-V222 HydrophobicContact CD2-CG2 3.99Å; F203-V222 HydrophobicContact CE2-CB 4.22Å; F203-V222 HydrophobicContact CE2-CG2 3.94Å; V222-A247 HydrophobicContact CG1-CB 3.95Å; V222-A273 HydrophobicContact CG1-CB 4.35Å; V222-A273 HydrophobicContact CG2-CB 3.94Å; V222-I276 HydrophobicContact CG1-CD1 4.28Å; V222-I276 HydrophobicContact CG2-CD1 4.14Å; V222-F299 HydrophobicContact CG1-CD2 4.46Å; V222-F299 HydrophobicContact CG1-CE2 4.05Å
223	L	97.1	Very high	96.6	Very high	40 Å²	40	30.5 Å²	30.5	21%	0.209	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	133.6	177.2	-60.2	-179.6	0	0	0	110.7	M198 L199 P200 V221 A247 K248 P250	M198-L223 HydrophobicContact CG-CB 3.88Å; M198-L223 HydrophobicContact CG-CD1 4.5Å; M198-L223 HydrophobicContact SD-CB 3.7Å; M198-L223 HydrophobicContact SD-CD1 3.59Å; M198-L223 VanDerWaalsContact SD-CD1 3.59Å; M198-L223 HydrophobicContact SD-CG 4.2Å; L199-L223 CarbonylContact O-C 3.59Å; L199-L223 WeakPolarHBondContact O-CA 3.5Å; P200-L223 HydrophobicContact CB-CD2 4.46Å; V221-L223 HydrophobicContact CG1-CD2 4.38Å; L223-A247 CarbonylContact O-C 3.48Å; L223-A247 WeakPolarHBondContact O-CA 3.43Å; L223-K248 HydrophobicContact CB-CB 4.13Å; L223-K248 WeakPolarHBondContact CB-O 3.43Å; L223-K248 PolarHBondContact N-O 3.44Å; L223-K248 PolarHBondContact O-N 3.42Å; L223-P250 HydrophobicContact CD1-CB 4.19Å; L223-P250 HydrophobicContact CG-CB 4.27Å
224	A	98.4	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	107.7	173.6	0	0	0	0	0	110.1	M198 L199 V201 W245 F299 A303	M198-A224 WeakPolarHBondContact CA-O 3.42Å; L199-A224 PolarHBondContact N-O 3.39Å; L199-A224 VanDerWaalsContact N-O 3.07Å; L199-A224 PolarHBondContact O-N 2.89Å; V201-A224 HydrophobicContact CG2-CB 4.1Å; A224-W245 HydrophobicContact CB-CD2 4.28Å; A224-W245 HydrophobicContact CB-CE3 3.76Å; A224-W245 HydrophobicContact CB-CZ3 4.31Å; A224-F299 HydrophobicContact CB-CE1 4.48Å; A224-F299 HydrophobicContact CB-CE2 3.59Å; A224-F299 HydrophobicContact CB-CZ 3.56Å; A224-A303 HydrophobicContact CB-CB 3.48Å; A224-A303 VanDerWaalsContact CB-CB 3.48Å
225	M	98.4	Very high	96.8	Very high	22 Å²	22	32.4 Å²	32.4	11%	0.108	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.7	175.3	-171.5	-173.8	-30.7	0	0	110.5	M198 Y227 S246 K248	M198-M225 HydrophobicContact CE-CB 4.1Å; M198-M225 HydrophobicContact CE-CE 3.82Å; M198-M225 HydrophobicContact CE-CG 3.96Å; M198-M225 HydrophobicContact CE-SD 4.32Å; M198-M225 HydrophobicContact CG-CB 4.47Å; M225-Y227 HydrophobicContact CB-CE2 4.44Å; M225-Y227 HydrophobicContact CG-CE2 4.01Å; M225-Y227 HydrophobicContact SD-CE2 3.65Å; M225-S246 PolarHBondContact N-O 2.98Å; M225-S246 PolarHBondContact O-N 2.81Å; M225-K248 HydrophobicContact CB-CG 4.32Å; M225-K248 HydrophobicContact CE-CD 3.91Å; M225-K248 HydrophobicContact CE-CG 3.46Å; M225-K248 VanDerWaalsContact CE-CG 3.46Å
226	P	98.6	Very high	96.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.2	177.8	21.2	-17.1	0	0	0	112.5	R194 Y197 R243 W245	R194-P226 HydrophobicContact CB-CB 4.39Å; R194-P226 HydrophobicContact CB-CG 3.94Å; R194-P226 PolarHBondContact N-O 3.35Å; R194-P226 WeakPolarHBondContact O-CD 3.45Å; R194-P226 WeakPolarHBondContact O-CG 3.47Å; Y197-P226 WeakPolarHBondContact O-CG 3.37Å; P226-R243 HydrophobicContact CB-CG 3.98Å; P226-W245 HydrophobicContact CB-CE3 3.79Å; P226-W245 HydrophobicContact CB-CH2 4.04Å; P226-W245 HydrophobicContact CB-CZ3 3.47Å; P226-W245 VanDerWaalsContact CB-CZ3 3.47Å; P226-W245 HydrophobicContact CG-CE3 4.2Å; P226-W245 HydrophobicContact CG-CH2 4.18Å; P226-W245 HydrophobicContact CG-CZ3 3.52Å
227	Y	98.8	Very high	96.6	Very high	38 Å²	38	28.3 Å²	28.3	15%	0.149	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.8	166.2	-76.2	-106.9	0	0	0	108.6	R161 E191 A193 M225 L244	R161-Y227 VanDerWaalsContact CD-CG 3.44Å; E191-Y227 HydrophobicContact CB-CD1 4.36Å; E191-Y227 HydrophobicContact CG-CD1 4.11Å; A193-Y227 HydrophobicContact CB-CD1 3.96Å; A193-Y227 HydrophobicContact CB-CE1 3.52Å; M225-Y227 HydrophobicContact CB-CE2 4.44Å; M225-Y227 HydrophobicContact CG-CE2 4.01Å; M225-Y227 HydrophobicContact SD-CE2 3.65Å; Y227-L244 PolarHBondContact N-O 3.31Å; Y227-L244 PolarHBondContact O-N 3.16Å
228	D	98.8	Very high	96.6	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.6	-178.3	-70.6	-21.3	0	0	0	110.5	W68 E191 K192 R194 T241 M242 R243	W68-D228 HydrophobicContact CH2-CB 3.45Å; W68-D228 VanDerWaalsContact CH2-CB 3.45Å; W68-D228 HydrophobicContact CZ2-CB 3.63Å; E191-D228 CarbonylContact C-O 3.18Å; E191-D228 WeakPolarHBondContact CA-O 3.19Å; K192-D228 PolarHBondContact N-O 3.01Å; K192-D228 PolarHBondContact O-N 3.03Å; R194-D228 WeakPolarHBondContact CG-OD2 3.3Å; R194-D228 IonicContact NE-OD2 3.66Å; D228-T241 HydrophobicContact CB-CG2 3.93Å; D228-M242 CarbonylContact C-O 3.58Å; D228-R243 IonicContact OD1-CZ 3.38Å; D228-R243 IonicContact OD1-NE 2.81Å; D228-R243 PolarHBondContact OD1-NE 3.37Å; D228-R243 IonicContact OD1-NH2 2.65Å; D228-R243 PolarHBondContact OD1-NH2 2.94Å; D228-R243 VanDerWaalsContact OD1-NH2 3.08Å; D228-R243 IonicContact OD2-CZ 3.44Å; D228-R243 IonicContact OD2-NE 3.87Å; D228-R243 IonicContact OD2-NH2 3.77Å; D228-R243 PolarHBondContact OD2-NH2 3.08Å
229	T	98.8	Very high	96.7	Very high	11 Å²	11	20.7 Å²	20.7	7%	0.067	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128	171.7	-59.6	0	0	0	0	109.1	W190 M242	W190-T229 HydrophobicContact CB-CG2 4.32Å; T229-M242 HydrophobicContact CG2-CE 4.13Å; T229-M242 PolarHBondContact N-O 2.58Å; T229-M242 PolarHBondContact O-N 3.32Å
230	P	98.5	Very high	96.9	Very high	9 Å²	9	19.3 Å²	19.3	6%	0.058	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.4	178.8	28.7	-34	0	0	0	111.6	L64 W68 W190 V239	L64-P230 HydrophobicContact CD1-CB 4.2Å; L64-P230 HydrophobicContact CD1-CG 3.76Å; W68-P230 HydrophobicContact CD2-CB 4.2Å; W68-P230 HydrophobicContact CE3-CB 4.39Å; W68-P230 HydrophobicContact CG-CB 4.47Å; W190-P230 VanDerWaalsContact O-CD 3.22Å; W190-P230 WeakPolarHBondContact O-CD 3.4Å; P230-V239 HydrophobicContact CB-CG1 3.47Å; P230-V239 VanDerWaalsContact CB-CG1 3.47Å
231	V	98.6	Very high	97.1	Very high	8 Å²	8	16 Å²	16	5%	0.048	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	95.8	176.2	-177.4	0	0	0	0	108.8	L145 A149 V239 N240 M242	L145-V231 HydrophobicContact CB-CG1 3.95Å; L145-V231 HydrophobicContact CB-CG2 4.47Å; L145-V231 HydrophobicContact CD1-CG2 4.4Å; L145-V231 WeakPolarHBondContact O-CG1 3.28Å; A149-V231 HydrophobicContact CB-CG1 4.11Å; A149-V231 WeakPolarHBondContact CB-O 3.48Å; V231-V239 CarbonylContact O-C 3.47Å; V231-V239 WeakPolarHBondContact O-CA 3.17Å; V231-N240 HydrophobicContact CB-CB 4.26Å; V231-N240 PolarHBondContact N-O 2.87Å; V231-N240 PolarHBondContact O-N 3.15Å; V231-M242 HydrophobicContact CG2-CB 3.99Å
232	P	97.8	Very high	97.4	Very high	5 Å²	5	14 Å²	14	3%	0.032	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.1	-178.8	28.9	-32.5	0	0	0	112.1	L64 N102 V239	L64-P232 HydrophobicContact CD2-CB 3.68Å; L64-P232 HydrophobicContact CD2-CG 3.97Å; N102-P232 HydrophobicContact CB-CB 4.11Å; N102-P232 HydrophobicContact CB-CG 4.09Å; N102-P232 PolarHBondContact ND2-O 2.84Å; P232-V239 HydrophobicContact CB-CG2 4.32Å
233	G	97.1	Very high	97.6	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.021	7%	0.071	C	C	.	.			trans	-76.4	155.4	166.8	0	0	0	0	0	111.7	K235 N236 T238	G233-K235 PolarHBondContact O-N 2.96Å; G233-N236 WeakPolarHBondContact CA-OD1 3.23Å; G233-T238 PolarHBondContact N-O 3.25Å
234	Y	96.5	Very high	97.6	Very high	18 Å²	18	12.8 Å²	12.8	7%	0.071	6%	0.062	C	C	.	.	S	Bend	trans	-70.3	111.5	-177.9	-176	-104.4	0	0	0	111.8	V101 T150 N236 R490 L494 L513 T514	V101-Y234 HydrophobicContact CG1-CD2 4.36Å; V101-Y234 HydrophobicContact CG1-CE2 4.08Å; T150-Y234 PolarHBondContact OG1-N 3.29Å; T150-Y234 VanDerWaalsContact OG1-N 3.12Å; Y234-N236 PolarHBondContact O-N 3.37Å; Y234-R490 HydrophobicContact CD2-CG 3.53Å; Y234-R490 HydrophobicContact CE2-CG 4.29Å; Y234-R490 HydrophobicContact CG-CG 3.8Å; Y234-L494 HydrophobicContact CD2-CD2 4.47Å; Y234-L494 HydrophobicContact CE2-CD2 3.52Å; Y234-L513 HydrophobicContact CE1-CB 3.91Å; Y234-L513 HydrophobicContact CE1-CD1 4.49Å; Y234-L513 VanDerWaalsContact OH-CD1 3.26Å; Y234-L513 WeakPolarHBondContact OH-CD1 3.34Å; Y234-T514 HydrophobicContact CD1-CG2 3.52Å; Y234-T514 HydrophobicContact CE1-CG2 4.13Å
235	K	93.5	Very high	97.7	Very high	77 Å²	77	12.8 Å²	12.8	34%	0.335	6%	0.062	S	C	.	.	S	Bend	trans	49.9	27.4	174.6	-62.6	-172.1	-179.3	176.2	0	115.6	N102 G233 E510	N102-K235 PolarHBondContact O-N 2.98Å; G233-K235 PolarHBondContact O-N 2.96Å; K235-E510 IonicContact NZ-OE2 3.35Å; K235-E510 PolarHBondContact NZ-OE2 3.15Å
236	N	93.9	Very high	97.7	Very high	14 Å²	14	12.1 Å²	12.1	8%	0.075	6%	0.059	C	C	.	.	S	Bend	trans	-117.5	1.1	-178.5	74.2	-3.5	0	0	0	114.7	A149 T150 G233 Y234 T238	A149-N236 PolarHBondContact O-ND2 3.19Å; T150-N236 WeakPolarHBondContact CA-ND2 3.41Å; T150-N236 PolarHBondContact O-ND2 3.31Å; G233-N236 WeakPolarHBondContact CA-OD1 3.23Å; Y234-N236 PolarHBondContact O-N 3.37Å; N236-T238 PolarHBondContact O-N 3.24Å; N236-T238 VanDerWaalsContact O-N 3.09Å; N236-T238 WeakPolarHBondContact OD1-CB 3.39Å; N236-T238 PolarHBondContact OD1-N 2.9Å
237	N	94.9	Very high	97.6	Very high	26 Å²	26	12.1 Å²	12.1	14%	0.139	6%	0.059	C	C	.	.			trans	61.9	2.5	-175.7	-55.5	-54.6	0	0	0	116.4	R67 I835	R67-N237 HydrophobicContact CG-CB 4.37Å; R67-N237 PolarHBondContact NE-OD1 2.87Å; R67-N237 PolarHBondContact NH2-OD1 2.99Å; N237-I835 HydrophobicContact CB-CB 4.44Å; N237-I835 WeakPolarHBondContact CB-O 3.45Å; N237-I835 PolarHBondContact ND2-O 3.45Å
238	T	96.1	Very high	97.4	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.018	7%	0.066	C	C	.	.			trans	-73.3	128.9	172	-64.5	0	0	0	0	109.2	T71 Y75 A149 G233 N236	T71-T238 HydrophobicContact CG2-CG2 4.06Å; Y75-T238 WeakPolarHBondContact OH-CG2 3.41Å; A149-T238 WeakPolarHBondContact O-CB 2.98Å; A149-T238 WeakPolarHBondContact O-CG2 3.24Å; G233-T238 PolarHBondContact N-O 3.25Å; N236-T238 PolarHBondContact O-N 3.24Å; N236-T238 VanDerWaalsContact O-N 3.09Å; N236-T238 WeakPolarHBondContact OD1-CB 3.39Å; N236-T238 PolarHBondContact OD1-N 2.9Å
239	V	98.1	Very high	96.9	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	105.3	171.2	-176.6	0	0	0	0	108.8	L64 R67 W68 T71 P230 V231 P232	L64-V239 HydrophobicContact CD2-CG2 4.07Å; R67-V239 HydrophobicContact CB-CG2 3.61Å; W68-V239 HydrophobicContact CB-CB 4Å; W68-V239 HydrophobicContact CB-CG1 3.81Å; W68-V239 VanDerWaalsContact CD1-O 3.27Å; W68-V239 HydrophobicContact CG-CB 4.33Å; W68-V239 HydrophobicContact CG-CG1 3.83Å; T71-V239 WeakPolarHBondContact CB-O 3.27Å; T71-V239 VanDerWaalsContact CG2-O 3.26Å; T71-V239 WeakPolarHBondContact CG2-O 3.42Å; T71-V239 PolarHBondContact OG1-N 3.07Å; P230-V239 HydrophobicContact CB-CG1 3.47Å; P230-V239 VanDerWaalsContact CB-CG1 3.47Å; V231-V239 CarbonylContact O-C 3.47Å; V231-V239 WeakPolarHBondContact O-CA 3.17Å; P232-V239 HydrophobicContact CB-CG2 4.32Å
240	N	98.5	Very high	96.3	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	179.7	174.1	-82.3	-15.3	0	0	0	111.2	Y75 A149 L153 V231	Y75-N240 WeakPolarHBondContact CE2-OD1 3.1Å; Y75-N240 PolarHBondContact OH-OD1 2.79Å; A149-N240 WeakPolarHBondContact CA-ND2 2.96Å; A149-N240 HydrophobicContact CB-CB 4.23Å; L153-N240 PolarHBondContact O-ND2 3.15Å; L153-N240 PolarHBondContact O-OD1 3.32Å; V231-N240 HydrophobicContact CB-CB 4.26Å; V231-N240 PolarHBondContact N-O 2.87Å; V231-N240 PolarHBondContact O-N 3.15Å
241	T	98.8	Very high	94.9	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.7	-176.6	-56.8	0	0	0	0	110.7	W68 Q72 Y156 G157 D228 R243	W68-T241 HydrophobicContact CZ2-CG2 4.05Å; W68-T241 PolarHBondContact NE1-OG1 3.45Å; Q72-T241 PolarHBondContact NE2-OG1 3.1Å; Y156-T241 WeakPolarHBondContact CA-O 3.43Å; G157-T241 PolarHBondContact N-O 2.89Å; G157-T241 VanDerWaalsContact N-O 3.15Å; D228-T241 HydrophobicContact CB-CG2 3.93Å; T241-R243 HydrophobicContact CG2-CB 4.45Å
242	M	98.8	Very high	93.2	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.02	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.2	157.1	-176.6	180	66.3	0	0	108	F90 M92 L145 G157 D228 T229 V231 L244	F90-M242 HydrophobicContact CB-SD 3.81Å; F90-M242 HydrophobicContact CD1-SD 3.95Å; F90-M242 HydrophobicContact CD2-SD 4.26Å; F90-M242 HydrophobicContact CG-SD 3.74Å; M92-M242 HydrophobicContact CE-CE 4.39Å; M92-M242 HydrophobicContact CE-SD 4.34Å; M92-M242 HydrophobicContact CG-CE 3.99Å; M92-M242 HydrophobicContact CG-SD 4.09Å; M92-M242 HydrophobicContact SD-CE 4.39Å; M92-M242 HydrophobicContact SD-SD 3.91Å; L145-M242 HydrophobicContact CD1-CB 4.07Å; L145-M242 HydrophobicContact CD1-CG 4.04Å; L145-M242 HydrophobicContact CD1-SD 3.87Å; G157-M242 CarbonylContact O-C 3.51Å; G157-M242 WeakPolarHBondContact O-CA 3.36Å; D228-M242 CarbonylContact C-O 3.58Å; T229-M242 HydrophobicContact CG2-CE 4.13Å; T229-M242 PolarHBondContact N-O 2.58Å; T229-M242 PolarHBondContact O-N 3.32Å; V231-M242 HydrophobicContact CG2-CB 3.99Å; M242-L244 HydrophobicContact CE-CD1 3.83Å; M242-L244 HydrophobicContact CE-CG 4.22Å; M242-L244 HydrophobicContact CG-CD2 4.06Å; M242-L244 HydrophobicContact CG-CG 4.24Å; M242-L244 HydrophobicContact SD-CD2 4.23Å
243	R	98.8	Very high	91	Very high	12 Å²	12	31 Å²	31	5%	0.045	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.3	178.6	175.8	163.2	-72.8	-163.7	-9.2	109.8	G157 Y158 G159 P226 D228 T241 W245 D307	G157-R243 PolarHBondContact O-N 3.23Å; Y158-R243 WeakPolarHBondContact CA-O 3.37Å; Y158-R243 HydrophobicContact CD1-CB 4.03Å; Y158-R243 HydrophobicContact CD1-CG 4.04Å; Y158-R243 HydrophobicContact CE1-CB 3.91Å; Y158-R243 HydrophobicContact CE1-CG 3.76Å; G159-R243 PolarHBondContact N-O 2.99Å; G159-R243 VanDerWaalsContact N-O 3.1Å; P226-R243 HydrophobicContact CB-CG 3.98Å; D228-R243 IonicContact OD1-CZ 3.38Å; D228-R243 IonicContact OD1-NE 2.81Å; D228-R243 PolarHBondContact OD1-NE 3.37Å; D228-R243 IonicContact OD1-NH2 2.65Å; D228-R243 PolarHBondContact OD1-NH2 2.94Å; D228-R243 VanDerWaalsContact OD1-NH2 3.08Å; D228-R243 IonicContact OD2-CZ 3.44Å; D228-R243 IonicContact OD2-NE 3.87Å; D228-R243 IonicContact OD2-NH2 3.77Å; D228-R243 PolarHBondContact OD2-NH2 3.08Å; T241-R243 HydrophobicContact CG2-CB 4.45Å; R243-W245 HydrophobicContact CG-CZ2 4.38Å; R243-D307 IonicContact CZ-OD2 2.78Å; R243-D307 IonicContact NE-OD2 3.27Å; R243-D307 VanDerWaalsContact NH1-CG 3.27Å; R243-D307 IonicContact NH1-OD1 2.69Å; R243-D307 PolarHBondContact NH1-OD1 3.42Å; R243-D307 VanDerWaalsContact NH1-OD1 3.13Å; R243-D307 IonicContact NH1-OD2 3.36Å; R243-D307 PolarHBondContact NH1-OD2 3.21Å
244	L	98.8	Very high	89.1	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.3	-179.5	-58.8	179.1	0	0	0	110.4	F90 L132 G159 R161 Y227 M242	F90-L244 HydrophobicContact CD2-CD2 4.19Å; L132-L244 HydrophobicContact CD1-CD1 3.4Å; G159-L244 WeakPolarHBondContact O-CA 3.48Å; R161-L244 HydrophobicContact CB-CB 3.69Å; Y227-L244 PolarHBondContact N-O 3.31Å; Y227-L244 PolarHBondContact O-N 3.16Å; M242-L244 HydrophobicContact CE-CD1 3.83Å; M242-L244 HydrophobicContact CE-CG 4.22Å; M242-L244 HydrophobicContact CG-CD2 4.06Å; M242-L244 HydrophobicContact CG-CG 4.24Å; M242-L244 HydrophobicContact SD-CD2 4.23Å
245	W	98.8	Very high	87.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.4	-178.6	-59.2	108.9	0	0	0	111.6	Y158 G159 R161 L199 A224 P226 R243 F299 A303 T304 D307	Y158-W245 HydrophobicContact CD1-CZ2 4.17Å; Y158-W245 AromaticContact CD1-NE1 3.57Å; Y158-W245 AromaticContact CE1-CZ2 3.79Å; Y158-W245 HydrophobicContact CE1-CZ2 3.79Å; G159-W245 PolarHBondContact O-N 2.88Å; R161-W245 PolarHBondContact N-O 3.46Å; L199-W245 HydrophobicContact CD1-CH2 3.79Å; L199-W245 HydrophobicContact CD1-CZ3 4.3Å; A224-W245 HydrophobicContact CB-CD2 4.28Å; A224-W245 HydrophobicContact CB-CE3 3.76Å; A224-W245 HydrophobicContact CB-CZ3 4.31Å; P226-W245 HydrophobicContact CB-CE3 3.79Å; P226-W245 HydrophobicContact CB-CH2 4.04Å; P226-W245 HydrophobicContact CB-CZ3 3.47Å; P226-W245 VanDerWaalsContact CB-CZ3 3.47Å; P226-W245 HydrophobicContact CG-CE3 4.2Å; P226-W245 HydrophobicContact CG-CH2 4.18Å; P226-W245 HydrophobicContact CG-CZ3 3.52Å; R243-W245 HydrophobicContact CG-CZ2 4.38Å; W245-F299 HydrophobicContact CB-CD1 4.34Å; W245-F299 HydrophobicContact CB-CE1 3.51Å; W245-F299 HydrophobicContact CB-CZ 4.05Å; W245-A303 HydrophobicContact CD2-CB 3.66Å; W245-A303 HydrophobicContact CE3-CB 4.07Å; W245-A303 HydrophobicContact CG-CB 4.01Å; W245-A303 HydrophobicContact CH2-CB 4.33Å; W245-A303 HydrophobicContact CZ2-CB 3.94Å; W245-A303 WeakPolarHBondContact CZ2-O 3.26Å; W245-A303 HydrophobicContact CZ3-CB 4.36Å; W245-T304 PolarHBondContact NE1-OG1 3.47Å; W245-D307 HydrophobicContact CH2-CB 4.02Å; W245-D307 HydrophobicContact CZ2-CB 3.93Å
246	S	98.4	Very high	85.4	Confident	7 Å²	7	45.3 Å²	45.3	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.5	168.7	176.3	0	0	0	0	109.1	M225	M225-S246 PolarHBondContact N-O 2.98Å; M225-S246 PolarHBondContact O-N 2.81Å
247	A	97.4	Very high	83.5	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.7	175.7	0	0	0	0	0	110.1	V222 L223 A273 I276 S277 F299	V222-A247 HydrophobicContact CG1-CB 3.95Å; L223-A247 CarbonylContact O-C 3.48Å; L223-A247 WeakPolarHBondContact O-CA 3.43Å; A247-A273 WeakPolarHBondContact CB-O 3.42Å; A247-I276 HydrophobicContact CB-CB 3.88Å; A247-I276 HydrophobicContact CB-CG2 4.39Å; A247-S277 PolarHBondContact N-OG 2.85Å; A247-F299 HydrophobicContact CB-CE1 4.27Å; A247-F299 HydrophobicContact CB-CE2 4Å; A247-F299 HydrophobicContact CB-CZ 3.75Å
248	K	94.4	Very high	81.5	Confident	64 Å²	64	51.8 Å²	51.8	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140	176.9	-68.4	-63.7	171.6	-168.2	0	110.2	L223 M225 E274	L223-K248 HydrophobicContact CB-CB 4.13Å; L223-K248 WeakPolarHBondContact CB-O 3.43Å; L223-K248 PolarHBondContact N-O 3.44Å; L223-K248 PolarHBondContact O-N 3.42Å; M225-K248 HydrophobicContact CB-CG 4.32Å; M225-K248 HydrophobicContact CE-CD 3.91Å; M225-K248 HydrophobicContact CE-CG 3.46Å; M225-K248 VanDerWaalsContact CE-CG 3.46Å; K248-E274 WeakPolarHBondContact CD-OE1 3.38Å; K248-E274 IonicContact NZ-OE1 2.9Å
249	A	88.6	Confident	79.6	Confident	9 Å²	9	57.6 Å²	57.6	7%	0.074	29%	0.285	C	S	.	.			trans	-68.5	141.1	168.4	0	0	0	0	0	109.8	R270 A273	A249-R270 HydrophobicContact CB-CB 3.87Å; A249-R270 HydrophobicContact CB-CG 3.75Å; A249-A273 HydrophobicContact CB-CB 4.22Å
250	P	85.2	Confident	78	Confident	32 Å²	32	63.4 Å²	63.4	21%	0.208	32%	0.32	C	S	.	.			trans	-62.3	153.2	169.2	28.1	-33.3	0	0	0	110.7	V221 L223 D252	V221-P250 WeakPolarHBondContact O-CD 3.23Å; L223-P250 HydrophobicContact CD1-CB 4.19Å; L223-P250 HydrophobicContact CG-CB 4.27Å; P250-D252 PolarHBondContact O-N 3.26Å
251	N	69.9	Low	75.9	Confident	133 Å²	133	65.7 Å²	65.7	71%	0.711	35%	0.345	S	S	*	.			trans	-80.5	41.1	178.3	-78.3	-23.4	0	0	0	111.9	F253	N251-F253 PolarHBondContact O-N 2.96Å
252	D	62.1	Low	74	Confident	121 Å²	121	69.7 Å²	69.7	65%	0.647	37%	0.366	S	S	*	.			trans	-84	60.3	177.1	-52.8	-12.9	0	0	0	107.2	P250 K254	P250-D252 PolarHBondContact O-N 3.26Å; D252-K254 VanDerWaalsContact C-N 3.3Å; D252-K254 PolarHBondContact O-N 3.38Å
253	F	52.2	Low	72.4	Confident	116 Å²	116	76.2 Å²	76.2	51%	0.509	39%	0.391	S	S	.	.			trans	-66.3	94.5	176.2	-170.6	-100.4	0	0	0	107.7	N251 L255 F258	N251-F253 PolarHBondContact O-N 2.96Å; F253-L255 HydrophobicContact CD1-CB 4.48Å; F253-L255 HydrophobicContact CD1-CD1 4.14Å; F253-L255 HydrophobicContact CD1-CG 3.78Å; F253-L255 HydrophobicContact CE1-CD1 4.46Å; F253-L255 HydrophobicContact CE1-CD2 4.35Å; F253-L255 HydrophobicContact CE1-CG 3.76Å; F253-L255 PolarHBondContact O-N 2.96Å; F253-F258 HydrophobicContact CE1-CB 4.48Å; F253-F258 HydrophobicContact CE1-CG 4.5Å; F253-F258 HydrophobicContact CE2-CD2 4.48Å; F253-F258 HydrophobicContact CZ-CB 4.31Å; F253-F258 AromaticContact CZ-CD2 3.8Å; F253-F258 HydrophobicContact CZ-CD2 3.8Å; F253-F258 HydrophobicContact CZ-CE2 4.32Å; F253-F258 HydrophobicContact CZ-CG 4.06Å
254	K	57.7	Low	70.9	Confident	137 Å²	137	79.9 Å²	79.9	60%	0.596	41%	0.411	S	S	*	.			trans	-70.1	84.8	173.9	-68.4	179.8	-179.5	176.8	0	108.6	D252 Q256 D257 F258	D252-K254 VanDerWaalsContact C-N 3.3Å; D252-K254 PolarHBondContact O-N 3.38Å; K254-Q256 PolarHBondContact O-N 3.29Å; K254-D257 HydrophobicContact CB-CB 4.25Å; K254-D257 VanDerWaalsContact CB-OD2 3.3Å; K254-D257 WeakPolarHBondContact CB-OD2 3.33Å; K254-D257 WeakPolarHBondContact CD-OD2 3.41Å; K254-D257 PolarHBondContact O-N 2.86Å; K254-F258 PolarHBondContact O-N 3.48Å
255	L	55.3	Low	69.2	Low	104 Å²	104	85.1 Å²	85.1	55%	0.545	44%	0.435	S	S	.	.	H	α-helix	trans	-50.2	-27.9	172	-105.1	141.1	0	0	0	112.3	F253 N259	F253-L255 HydrophobicContact CD1-CB 4.48Å; F253-L255 HydrophobicContact CD1-CD1 4.14Å; F253-L255 HydrophobicContact CD1-CG 3.78Å; F253-L255 HydrophobicContact CE1-CD1 4.46Å; F253-L255 HydrophobicContact CE1-CD2 4.35Å; F253-L255 HydrophobicContact CE1-CG 3.76Å; F253-L255 PolarHBondContact O-N 2.96Å; L255-N259 WeakPolarHBondContact O-CB 3.41Å; L255-N259 PolarHBondContact O-N 3.3Å; L255-N259 PolarHBondContact O-ND2 2.92Å; L255-N259 VanDerWaalsContact O-ND2 3.07Å
256	Q	56	Low	67.6	Low	156 Å²	156	86.8 Å²	86.8	73%	0.729	45%	0.449	S	S	*	.	H	α-helix	trans	-62.4	-51.8	174.5	-77	177.2	-16.4	0	0	111.8	K254 F258 N259 V260	K254-Q256 PolarHBondContact O-N 3.29Å; Q256-F258 VanDerWaalsContact C-N 3.25Å; Q256-F258 PolarHBondContact O-N 3.48Å; Q256-N259 PolarHBondContact O-N 2.86Å; Q256-V260 WeakPolarHBondContact O-CG2 3.25Å; Q256-V260 PolarHBondContact O-N 3.39Å
257	D	54.5	Low	66.3	Low	63 Å²	63	90.4 Å²	90.4	34%	0.337	47%	0.471	S	S	.	.	H	α-helix	trans	-62.4	-34.6	178.8	-57.7	-17.5	0	0	0	111.5	K254 V260 D262	K254-D257 HydrophobicContact CB-CB 4.25Å; K254-D257 VanDerWaalsContact CB-OD2 3.3Å; K254-D257 WeakPolarHBondContact CB-OD2 3.33Å; K254-D257 WeakPolarHBondContact CD-OD2 3.41Å; K254-D257 PolarHBondContact O-N 2.86Å; D257-V260 PolarHBondContact O-N 3.49Å; D257-D262 PolarHBondContact O-N 2.99Å
258	F	53.7	Low	64.9	Low	113 Å²	113	94.8 Å²	94.8	50%	0.496	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-39.1	172.6	-166.7	-91.7	0	0	0	112.7	F253 K254 Q256 V260	F253-F258 HydrophobicContact CE1-CB 4.48Å; F253-F258 HydrophobicContact CE1-CG 4.5Å; F253-F258 HydrophobicContact CE2-CD2 4.48Å; F253-F258 HydrophobicContact CZ-CB 4.31Å; F253-F258 AromaticContact CZ-CD2 3.8Å; F253-F258 HydrophobicContact CZ-CD2 3.8Å; F253-F258 HydrophobicContact CZ-CE2 4.32Å; F253-F258 HydrophobicContact CZ-CG 4.06Å; K254-F258 PolarHBondContact O-N 3.48Å; Q256-F258 VanDerWaalsContact C-N 3.25Å; Q256-F258 PolarHBondContact O-N 3.48Å; F258-V260 VanDerWaalsContact C-N 3.33Å; F258-V260 PolarHBondContact O-N 3.2Å
259	N	55.9	Low	63.7	Low	124 Å²	124	95.8 Å²	95.8	66%	0.663	50%	0.502	S	S	*	.	H	α-helix	trans	-76.6	-17	-178.9	-72.5	-28.1	0	0	0	113.5	L255 Q256	L255-N259 WeakPolarHBondContact O-CB 3.41Å; L255-N259 PolarHBondContact O-N 3.3Å; L255-N259 PolarHBondContact O-ND2 2.92Å; L255-N259 VanDerWaalsContact O-ND2 3.07Å; Q256-N259 PolarHBondContact O-N 2.86Å
260	V	64.2	Low	63.1	Low	123 Å²	123	99.8 Å²	99.8	75%	0.745	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-2	176.4	-130.1	0	0	0	0	113.7	Q256 D257 F258	Q256-V260 WeakPolarHBondContact O-CG2 3.25Å; Q256-V260 PolarHBondContact O-N 3.39Å; D257-V260 PolarHBondContact O-N 3.49Å; F258-V260 VanDerWaalsContact C-N 3.33Å; F258-V260 PolarHBondContact O-N 3.2Å
261	G	54.3	Low	62.8	Low	51 Å²	51	101.4 Å²	101.4	53%	0.526	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	4.5	176.9	0	0	0	0	0	115.5	Y263	G261-Y263 WeakPolarHBondContact O-CD1 3.4Å; G261-Y263 PolarHBondContact O-N 2.77Å
262	D	59.7	Low	63.3	Low	89 Å²	89	99.8 Å²	99.8	48%	0.476	51%	0.513	S	S	.	.			trans	-90.4	42.4	-179.5	-112.1	-29.7	0	0	0	113.2	D257 I264 E265	D257-D262 PolarHBondContact O-N 2.99Å; D262-I264 PolarHBondContact O-N 2.71Å; D262-E265 PolarHBondContact O-N 2.96Å
263	Y	65.4	Low	64.4	Low	141 Å²	141	94.3 Å²	94.3	55%	0.553	48%	0.484	S	S	*	.	H	α-helix	trans	-61.8	-30.2	-176.2	71.5	-86.4	0	0	0	113.4	G261 V267	G261-Y263 WeakPolarHBondContact O-CD1 3.4Å; G261-Y263 PolarHBondContact O-N 2.77Å; Y263-V267 WeakPolarHBondContact O-CG2 3.39Å
264	I	66.2	Low	66.2	Low	90 Å²	90	90.5 Å²	90.5	46%	0.462	47%	0.468	S	S	.	.	H	α-helix	trans	-69.8	-46.4	-177.6	-61	-168.6	0	0	0	109.8	D262 A266 V267 L268	D262-I264 PolarHBondContact O-N 2.71Å; I264-A266 PolarHBondContact O-N 3.44Å; I264-V267 PolarHBondContact O-N 3.49Å; I264-L268 HydrophobicContact CG2-CD1 3.68Å; I264-L268 HydrophobicContact CG2-CG 4.01Å; I264-L268 VanDerWaalsContact O-CG 3.31Å; I264-L268 WeakPolarHBondContact O-CG 3.4Å; I264-L268 PolarHBondContact O-N 3.04Å
265	E	63.5	Low	67.8	Low	113 Å²	113	86.7 Å²	86.7	53%	0.528	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-42.7	-172	-159.2	168.5	-160.8	0	0	111.8	D262 V267 L268 D269	D262-E265 PolarHBondContact O-N 2.96Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 3.08Å; E265-L268 PolarHBondContact O-N 2.78Å; E265-L268 VanDerWaalsContact O-N 3.12Å; E265-D269 PolarHBondContact O-N 2.96Å
266	A	64.9	Low	69.6	Low	35 Å²	35	81.8 Å²	81.8	29%	0.289	43%	0.429	S	S	.	.	H	α-helix	trans	-62	-29.1	176.1	0	0	0	0	0	113.9	I264	I264-A266 PolarHBondContact O-N 3.44Å
267	V	70.4	Confident	71.5	Confident	83 Å²	83	74.7 Å²	74.7	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-82.3	-36.3	175.2	175	0	0	0	0	111.1	Y263 I264 E265 D269 R270 N271	Y263-V267 WeakPolarHBondContact O-CG2 3.39Å; I264-V267 PolarHBondContact O-N 3.49Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 3.08Å; V267-D269 VanDerWaalsContact C-N 3.34Å; V267-R270 PolarHBondContact O-N 2.99Å; V267-N271 PolarHBondContact O-N 2.8Å; V267-N271 PolarHBondContact O-ND2 2.96Å
268	L	69.8	Low	73.3	Confident	93 Å²	93	74.5 Å²	74.5	49%	0.487	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-42	174.8	-71.1	175.8	0	0	0	111.5	I264 E265 R270 N271 L272	I264-L268 HydrophobicContact CG2-CD1 3.68Å; I264-L268 HydrophobicContact CG2-CG 4.01Å; I264-L268 VanDerWaalsContact O-CG 3.31Å; I264-L268 WeakPolarHBondContact O-CG 3.4Å; I264-L268 PolarHBondContact O-N 3.04Å; E265-L268 PolarHBondContact O-N 2.78Å; E265-L268 VanDerWaalsContact O-N 3.12Å; L268-R270 VanDerWaalsContact C-N 3.29Å; L268-R270 PolarHBondContact O-N 2.86Å; L268-N271 WeakPolarHBondContact O-CB 3.21Å; L268-N271 PolarHBondContact O-N 3.3Å; L268-N271 VanDerWaalsContact O-N 3.07Å; L268-L272 WeakPolarHBondContact O-CG 3.27Å; L268-L272 PolarHBondContact O-N 3.03Å
269	D	67.8	Low	75	Confident	85 Å²	85	71.6 Å²	71.6	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-60.8	-36.6	177.5	-80.1	-11.9	0	0	0	113	E265 V267 L272 A273	E265-D269 PolarHBondContact O-N 2.96Å; V267-D269 VanDerWaalsContact C-N 3.34Å; D269-L272 PolarHBondContact O-N 3.48Å; D269-A273 PolarHBondContact O-N 3.45Å
270	R	77.4	Confident	76.2	Confident	94 Å²	94	66 Å²	66	36%	0.355	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-44.4	174	-66.6	178.5	70.5	124.4	6.2	111.2	A249 V267 L268 L272 A273 E274	A249-R270 HydrophobicContact CB-CB 3.87Å; A249-R270 HydrophobicContact CB-CG 3.75Å; V267-R270 PolarHBondContact O-N 2.99Å; L268-R270 VanDerWaalsContact C-N 3.29Å; L268-R270 PolarHBondContact O-N 2.86Å; R270-L272 VanDerWaalsContact C-N 3.31Å; R270-L272 PolarHBondContact O-N 2.91Å; R270-A273 PolarHBondContact O-N 3.29Å; R270-E274 WeakPolarHBondContact O-CG 3.34Å; R270-E274 PolarHBondContact O-N 3.25Å
271	N	78.7	Confident	76.5	Confident	66 Å²	66	63.3 Å²	63.3	35%	0.353	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-38.5	178.4	-71.9	-35.5	0	0	0	111.6	V267 L268 A273 E274 N275	V267-N271 PolarHBondContact O-N 2.8Å; V267-N271 PolarHBondContact O-ND2 2.96Å; L268-N271 WeakPolarHBondContact O-CB 3.21Å; L268-N271 PolarHBondContact O-N 3.3Å; L268-N271 VanDerWaalsContact O-N 3.07Å; N271-A273 PolarHBondContact O-N 2.83Å; N271-E274 PolarHBondContact O-N 3.09Å; N271-N275 WeakPolarHBondContact O-CB 3.48Å; N271-N275 PolarHBondContact O-N 2.91Å; N271-N275 PolarHBondContact O-ND2 2.97Å; N271-N275 PolarHBondContact O-OD1 2.66Å
272	L	79.4	Confident	76.9	Confident	99 Å²	99	61.9 Å²	61.9	52%	0.518	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-40.9	176.8	-69.5	175.1	0	0	0	112.6	L268 D269 R270	L268-L272 WeakPolarHBondContact O-CG 3.27Å; L268-L272 PolarHBondContact O-N 3.03Å; D269-L272 PolarHBondContact O-N 3.48Å; R270-L272 VanDerWaalsContact C-N 3.31Å; R270-L272 PolarHBondContact O-N 2.91Å
273	A	84.5	Confident	77	Confident	5 Å²	5	61.3 Å²	61.3	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-45	174.9	0	0	0	0	0	112	V222 A247 A249 D269 R270 N271 N275	V222-A273 HydrophobicContact CG1-CB 4.35Å; V222-A273 HydrophobicContact CG2-CB 3.94Å; A247-A273 WeakPolarHBondContact CB-O 3.42Å; A249-A273 HydrophobicContact CB-CB 4.22Å; D269-A273 PolarHBondContact O-N 3.45Å; R270-A273 PolarHBondContact O-N 3.29Å; N271-A273 PolarHBondContact O-N 2.83Å; A273-N275 VanDerWaalsContact C-N 3.28Å; A273-N275 PolarHBondContact O-N 3.34Å
274	E	90.1	Very high	76.6	Confident	36 Å²	36	58.7 Å²	58.7	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-72.8	-19.7	-178.3	-65.3	-168.8	161.9	0	0	113.3	K248 R270 N271 I276 S277 R278	K248-E274 WeakPolarHBondContact CD-OE1 3.38Å; K248-E274 IonicContact NZ-OE1 2.9Å; R270-E274 WeakPolarHBondContact O-CG 3.34Å; R270-E274 PolarHBondContact O-N 3.25Å; N271-E274 PolarHBondContact O-N 3.09Å; E274-I276 PolarHBondContact O-N 2.9Å; E274-I276 VanDerWaalsContact O-N 3.15Å; E274-S277 PolarHBondContact O-N 3.4Å; E274-R278 IonicContact OE2-NH2 2.75Å
275	N	91.5	Very high	75.9	Confident	57 Å²	57	59.4 Å²	59.4	31%	0.305	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.7	177.7	-80.2	-14.7	0	0	0	113.7	N271 A273 S277 R278	N271-N275 WeakPolarHBondContact O-CB 3.48Å; N271-N275 PolarHBondContact O-N 2.91Å; N271-N275 PolarHBondContact O-ND2 2.97Å; N271-N275 PolarHBondContact O-OD1 2.66Å; A273-N275 VanDerWaalsContact C-N 3.28Å; A273-N275 PolarHBondContact O-N 3.34Å; N275-S277 VanDerWaalsContact C-N 3.28Å; N275-S277 PolarHBondContact O-N 3.06Å; N275-R278 WeakPolarHBondContact O-CB 3.37Å; N275-R278 PolarHBondContact O-N 2.99Å; N275-R278 VanDerWaalsContact O-N 3.1Å
276	I	94.4	Very high	75.8	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-54	-45.3	175.9	-64	174.5	0	0	0	110.8	F203 V222 A247 E274 L292 K295 Q296 F299	F203-I276 HydrophobicContact CE2-CD1 3.65Å; F203-I276 HydrophobicContact CZ-CD1 3.87Å; V222-I276 HydrophobicContact CG1-CD1 4.28Å; V222-I276 HydrophobicContact CG2-CD1 4.14Å; A247-I276 HydrophobicContact CB-CB 3.88Å; A247-I276 HydrophobicContact CB-CG2 4.39Å; E274-I276 PolarHBondContact O-N 2.9Å; E274-I276 VanDerWaalsContact O-N 3.15Å; I276-L292 HydrophobicContact CG1-CD1 4.32Å; I276-K295 HydrophobicContact CD1-CB 4.27Å; I276-K295 HydrophobicContact CD1-CD 4.49Å; I276-K295 HydrophobicContact CG1-CB 4.18Å; I276-Q296 HydrophobicContact CG2-CG 4.11Å; I276-Q296 WeakPolarHBondContact O-CG 3.35Å; I276-Q296 PolarHBondContact O-NE2 3.07Å; I276-F299 HydrophobicContact CG2-CB 3.75Å; I276-F299 HydrophobicContact CG2-CD1 3.84Å; I276-F299 HydrophobicContact CG2-CD2 4.3Å; I276-F299 HydrophobicContact CG2-CG 3.71Å
277	S	95.3	Very high	75.5	Confident	7 Å²	7	64.3 Å²	64.3	5%	0.049	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-99.1	22.7	179.7	61.4	0	0	0	0	113.5	Y162 E163 A247 E274 N275	Y162-S277 VanDerWaalsContact CA-O 3.3Å; Y162-S277 WeakPolarHBondContact CA-O 3.45Å; E163-S277 PolarHBondContact N-O 2.84Å; A247-S277 PolarHBondContact N-OG 2.85Å; E274-S277 PolarHBondContact O-N 3.4Å; N275-S277 VanDerWaalsContact C-N 3.28Å; N275-S277 PolarHBondContact O-N 3.06Å
278	R	91.9	Very high	75.4	Confident	59 Å²	59	68 Å²	68	22%	0.223	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-54.4	-174.7	-165.1	74.7	69.8	173.4	1.3	112.9	E163 F164 E274 N275	E163-R278 PolarHBondContact N-O 2.87Å; E163-R278 IonicContact OE1-NH1 2.83Å; E163-R278 WeakPolarHBondContact OE2-CD 3.48Å; E163-R278 IonicContact OE2-CZ 3.98Å; E163-R278 IonicContact OE2-NE 3.86Å; E163-R278 IonicContact OE2-NH1 2.71Å; E163-R278 PolarHBondContact OE2-NH1 2.85Å; F164-R278 HydrophobicContact CD2-CG 4.01Å; F164-R278 HydrophobicContact CE2-CG 4.16Å; F164-R278 PolarHBondContact N-O 2.81Å; E274-R278 IonicContact OE2-NH2 2.75Å; N275-R278 WeakPolarHBondContact O-CB 3.37Å; N275-R278 PolarHBondContact O-N 2.99Å; N275-R278 VanDerWaalsContact O-N 3.1Å
279	V	88.8	Confident	75.7	Confident	52 Å²	52	64 Å²	64	32%	0.315	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-132.3	140.7	-174.3	68.1	0	0	0	0	112.3	Y162 F164 Y281 P282 Q296	Y162-V279 VanDerWaalsContact CD1-C 3.49Å; Y162-V279 WeakPolarHBondContact CD1-O 3.45Å; F164-V279 HydrophobicContact CB-CG2 4.46Å; F164-V279 WeakPolarHBondContact O-CA 3.32Å; V279-Y281 PolarHBondContact O-N 3.32Å; V279-P282 HydrophobicContact CG1-CB 4.49Å; V279-Q296 PolarHBondContact O-NE2 3.08Å
280	L	81.4	Confident	76.4	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.037	31%	0.308	C	S	.	.	S	Bend	trans	-70.4	114.3	173.1	175	64.5	0	0	0	110.6	E89 Y162 F164 I166	E89-L280 HydrophobicContact CG-CD1 4.15Å; Y162-L280 HydrophobicContact CD1-CB 4.32Å; Y162-L280 HydrophobicContact CD2-CB 4.03Å; Y162-L280 HydrophobicContact CD2-CD1 4Å; Y162-L280 HydrophobicContact CE1-CD1 4.46Å; Y162-L280 HydrophobicContact CE2-CB 4.26Å; Y162-L280 HydrophobicContact CE2-CD1 3.44Å; Y162-L280 VanDerWaalsContact CE2-CD1 3.44Å; Y162-L280 HydrophobicContact CE2-CG 4.41Å; Y162-L280 HydrophobicContact CG-CB 4.05Å; F164-L280 PolarHBondContact O-N 2.86Å; I166-L280 HydrophobicContact CB-CD2 4.18Å
281	Y	72.1	Confident	77	Confident	65 Å²	65	60.1 Å²	60.1	26%	0.255	30%	0.296	S	S	.	.	S	Bend	trans	52.5	94.3	-174.4	-66.4	-97.9	0	0	0	114.3	E89 N134 V279 R293 H342	E89-Y281 HydrophobicContact CG-CE2 3.84Å; E89-Y281 WeakPolarHBondContact OE1-CE2 3.4Å; E89-Y281 PolarHBondContact OE1-OH 2.98Å; N134-Y281 WeakPolarHBondContact ND2-CD2 3.28Å; N134-Y281 WeakPolarHBondContact ND2-CE2 3.33Å; V279-Y281 PolarHBondContact O-N 3.32Å; Y281-R293 VanDerWaalsContact CD1-CZ 3.49Å; Y281-R293 PolarHBondContact OH-NH2 3.21Å; Y281-H342 PolarHBondContact OH-CE1 2.85Å; Y281-H342 VanDerWaalsContact OH-CE1 3.23Å; Y281-H342 PolarHBondContact OH-NE2 3.33Å
282	P	62.2	Low	77.6	Confident	21 Å²	21	58.8 Å²	58.8	14%	0.136	29%	0.289	C	S	.	.			trans	-62.9	155.3	169	30.2	-36	0	0	0	110.8	V279 D284 G289 L292 R293	V279-P282 HydrophobicContact CG1-CB 4.49Å; P282-D284 PolarHBondContact O-N 3.44Å; P282-D284 VanDerWaalsContact O-N 3.1Å; P282-G289 WeakPolarHBondContact CG-O 3.44Å; P282-L292 HydrophobicContact CB-CD2 3.94Å; P282-L292 HydrophobicContact CG-CB 4.18Å; P282-L292 HydrophobicContact CG-CD2 3.95Å; P282-L292 HydrophobicContact CG-CG 4.05Å; P282-R293 HydrophobicContact CG-CB 4.41Å
283	N	61.5	Low	78.2	Confident	78 Å²	78	54.6 Å²	54.6	42%	0.417	27%	0.266	S	S	.	.			trans	-59.8	115.2	170.7	-177.9	-4	0	0	0	109.4	N285 G289	N283-N285 VanDerWaalsContact OD1-CB 3.31Å; N283-N285 WeakPolarHBondContact OD1-CB 3.42Å; N283-N285 PolarHBondContact OD1-N 3.49Å; N283-N285 VanDerWaalsContact OD1-N 3.13Å; N283-N285 PolarHBondContact OD1-ND2 2.87Å; N283-G289 WeakPolarHBondContact O-CA 3.43Å
284	D	57.6	Low	78.7	Confident	86 Å²	86	54.3 Å²	54.3	46%	0.46	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	8.3	-173.2	70.6	-38.5	0	0	0	113.1	P282 F286 K290	P282-D284 PolarHBondContact O-N 3.44Å; P282-D284 VanDerWaalsContact O-N 3.1Å; D284-F286 PolarHBondContact O-N 3.06Å; D284-F286 VanDerWaalsContact O-N 3.14Å; D284-K290 HydrophobicContact CB-CG 4Å; D284-K290 WeakPolarHBondContact O-CE 3.44Å; D284-K290 WeakPolarHBondContact O-CG 3.36Å
285	N	50.7	Low	79.1	Confident	104 Å²	104	54 Å²	54	56%	0.556	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.3	173.4	-73	-24.4	0	0	0	113.1	N283	N283-N285 VanDerWaalsContact OD1-CB 3.31Å; N283-N285 WeakPolarHBondContact OD1-CB 3.42Å; N283-N285 PolarHBondContact OD1-N 3.49Å; N283-N285 VanDerWaalsContact OD1-N 3.13Å; N283-N285 PolarHBondContact OD1-ND2 2.87Å
286	F	60.8	Low	79.4	Confident	143 Å²	143	51.3 Å²	51.3	63%	0.627	25%	0.248	S	C	*	.	S	Bend	trans	-120.4	152.8	178.2	-56.8	-80.6	0	0	0	111.2	D284 E288 G289 K290	D284-F286 PolarHBondContact O-N 3.06Å; D284-F286 VanDerWaalsContact O-N 3.14Å; F286-E288 VanDerWaalsContact C-N 3.31Å; F286-E288 PolarHBondContact O-N 3.12Å; F286-G289 PolarHBondContact O-N 3.21Å; F286-G289 VanDerWaalsContact O-N 3.1Å; F286-K290 PolarHBondContact O-N 3.12Å
287	F	58.7	Low	79.5	Confident	108 Å²	108	51.3 Å²	51.3	47%	0.474	25%	0.248	S	C	.	.	H	α-helix	trans	-55.5	-43.3	-176.7	179.4	-92.4	0	0	0	113	G289 K290 E291 M392	F287-G289 VanDerWaalsContact C-N 3.3Å; F287-G289 PolarHBondContact O-N 2.86Å; F287-K290 WeakPolarHBondContact O-CB 3.3Å; F287-K290 PolarHBondContact O-N 3.33Å; F287-K290 VanDerWaalsContact O-N 3.16Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.26Å; F287-E291 PolarHBondContact O-N 2.94Å; F287-M392 HydrophobicContact CD2-CE 4.01Å; F287-M392 HydrophobicContact CE2-CE 3.6Å; F287-M392 HydrophobicContact CZ-CE 4.03Å
288	E	69.6	Low	79.7	Confident	160 Å²	160	51 Å²	51	75%	0.748	25%	0.246	S	C	*	.	H	α-helix	trans	-61.4	-37.3	179.1	-64.2	169.2	163.3	0	0	112.2	F286 E291 L292	F286-E288 VanDerWaalsContact C-N 3.31Å; F286-E288 PolarHBondContact O-N 3.12Å; E288-E291 PolarHBondContact O-N 2.76Å; E288-L292 WeakPolarHBondContact O-CB 3.37Å; E288-L292 PolarHBondContact O-N 3.2Å
289	G	76	Confident	80	Confident	9 Å²	9	48.2 Å²	48.2	9%	0.093	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-38.4	175.8	0	0	0	0	0	112.5	P282 N283 F286 F287 R293	P282-G289 WeakPolarHBondContact CG-O 3.44Å; N283-G289 WeakPolarHBondContact O-CA 3.43Å; F286-G289 PolarHBondContact O-N 3.21Å; F286-G289 VanDerWaalsContact O-N 3.1Å; F287-G289 VanDerWaalsContact C-N 3.3Å; F287-G289 PolarHBondContact O-N 2.86Å; G289-R293 WeakPolarHBondContact O-CB 3.41Å; G289-R293 PolarHBondContact O-N 3.23Å
290	K	81.5	Confident	80.5	Confident	77 Å²	77	45.8 Å²	45.8	34%	0.335	22%	0.22	S	C	.	.	H	α-helix	trans	-66.1	-44.8	173.8	-73	-172.1	-179.1	-174	0	112.3	D284 F286 F287 R293 L294 W388 M392	D284-K290 HydrophobicContact CB-CG 4Å; D284-K290 WeakPolarHBondContact O-CE 3.44Å; D284-K290 WeakPolarHBondContact O-CG 3.36Å; F286-K290 PolarHBondContact O-N 3.12Å; F287-K290 WeakPolarHBondContact O-CB 3.3Å; F287-K290 PolarHBondContact O-N 3.33Å; F287-K290 VanDerWaalsContact O-N 3.16Å; K290-R293 PolarHBondContact O-N 3.34Å; K290-L294 PolarHBondContact O-N 2.95Å; K290-W388 HydrophobicContact CB-CZ3 3.97Å; K290-W388 HydrophobicContact CG-CZ3 4.5Å; K290-W388 WeakPolarHBondContact O-CH2 3.43Å; K290-W388 VanDerWaalsContact O-CZ3 3.3Å; K290-W388 WeakPolarHBondContact O-CZ3 3.32Å; K290-M392 HydrophobicContact CB-CE 3.82Å
291	E	90.1	Very high	81.3	Confident	21 Å²	21	45.5 Å²	45.5	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-43.1	176.7	-175.2	173.7	178	0	0	111.5	Y204 F287 E288 R293 L294 K295 M392	Y204-E291 VanDerWaalsContact CE1-OE1 3.29Å; Y204-E291 WeakPolarHBondContact CE1-OE1 3.37Å; Y204-E291 VanDerWaalsContact CZ-OE1 3.29Å; Y204-E291 PolarHBondContact OH-OE1 3.06Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.26Å; F287-E291 PolarHBondContact O-N 2.94Å; E288-E291 PolarHBondContact O-N 2.76Å; E291-R293 VanDerWaalsContact C-N 3.3Å; E291-R293 PolarHBondContact O-N 2.82Å; E291-L294 PolarHBondContact O-N 3.35Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.28Å; E291-M392 HydrophobicContact CB-CE 4.35Å
292	L	91.5	Very high	82.6	Confident	38 Å²	38	42.4 Å²	42.4	20%	0.199	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-38.7	175.6	-179.5	58.8	0	0	0	112	I276 P282 E288 K295 Q296	I276-L292 HydrophobicContact CG1-CD1 4.32Å; P282-L292 HydrophobicContact CB-CD2 3.94Å; P282-L292 HydrophobicContact CG-CB 4.18Å; P282-L292 HydrophobicContact CG-CD2 3.95Å; P282-L292 HydrophobicContact CG-CG 4.05Å; E288-L292 WeakPolarHBondContact O-CB 3.37Å; E288-L292 PolarHBondContact O-N 3.2Å; L292-K295 WeakPolarHBondContact O-CB 3.33Å; L292-K295 PolarHBondContact O-N 3.02Å; L292-Q296 WeakPolarHBondContact O-CG 3.4Å; L292-Q296 PolarHBondContact O-N 3.39Å
293	R	92.3	Very high	84.3	Confident	11 Å²	11	41.4 Å²	41.4	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-46.9	176	176.1	58.4	-175	-159.5	-8	112	Y281 P282 G289 K290 E291 K295 Q296 E297 H342 W388	Y281-R293 VanDerWaalsContact CD1-CZ 3.49Å; Y281-R293 PolarHBondContact OH-NH2 3.21Å; P282-R293 HydrophobicContact CG-CB 4.41Å; G289-R293 WeakPolarHBondContact O-CB 3.41Å; G289-R293 PolarHBondContact O-N 3.23Å; K290-R293 PolarHBondContact O-N 3.34Å; E291-R293 VanDerWaalsContact C-N 3.3Å; E291-R293 PolarHBondContact O-N 2.82Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 2.74Å; R293-Q296 WeakPolarHBondContact O-CB 3.38Å; R293-Q296 PolarHBondContact O-N 3Å; R293-Q296 VanDerWaalsContact O-N 3.1Å; R293-E297 IonicContact CZ-OE1 2.65Å; R293-E297 IonicContact NE-OE1 3.99Å; R293-E297 PolarHBondContact NE-OE1 3.43Å; R293-E297 IonicContact NH2-OE1 3.19Å; R293-E297 PolarHBondContact O-N 3.49Å; R293-H342 PolarHBondContact NH2-CD2 2.93Å; R293-H342 PolarHBondContact NH2-NE2 2.82Å; R293-W388 HydrophobicContact CB-CH2 3.93Å; R293-W388 HydrophobicContact CG-CH2 3.71Å; R293-W388 HydrophobicContact CG-CZ2 3.95Å
294	L	95.6	Very high	86.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-35.4	175.5	-175	62	0	0	0	111.9	K290 E291 E297 Y298 L345 W388 M392 F393 L396	K290-L294 PolarHBondContact O-N 2.95Å; E291-L294 PolarHBondContact O-N 3.35Å; L294-E297 PolarHBondContact O-N 2.97Å; L294-Y298 PolarHBondContact O-N 2.98Å; L294-L345 HydrophobicContact CD1-CD1 3.91Å; L294-W388 HydrophobicContact CB-CE3 4.45Å; L294-W388 HydrophobicContact CB-CH2 4.26Å; L294-W388 HydrophobicContact CB-CZ2 4.42Å; L294-W388 HydrophobicContact CB-CZ3 4.25Å; L294-W388 HydrophobicContact CD1-CD2 4.27Å; L294-W388 HydrophobicContact CD1-CG 4.43Å; L294-M392 HydrophobicContact CB-SD 4.35Å; L294-M392 HydrophobicContact CD2-CG 3.79Å; L294-M392 HydrophobicContact CD2-SD 3.89Å; L294-F393 HydrophobicContact CD1-CE2 3.74Å; L294-F393 HydrophobicContact CD1-CZ 3.89Å; L294-F393 HydrophobicContact CD2-CD2 3.83Å; L294-F393 HydrophobicContact CD2-CE2 3.66Å; L294-F393 HydrophobicContact CD2-CZ 4.4Å; L294-F393 HydrophobicContact CG-CE2 4.38Å; L294-L396 HydrophobicContact CB-CD2 4.2Å; L294-L396 HydrophobicContact CD2-CD2 3.82Å; L294-L396 HydrophobicContact CG-CD2 3.89Å
295	K	97.1	Very high	88.1	Confident	30 Å²	30	33.6 Å²	33.6	13%	0.13	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-42	171.8	-74.7	-179.1	176.8	-179.9	0	112.3	F203 Y204 I276 E291 L292 R293 F299 L396	F203-K295 HydrophobicContact CD1-CG 4.02Å; F203-K295 HydrophobicContact CE1-CB 3.93Å; F203-K295 HydrophobicContact CE1-CG 3.75Å; F203-K295 HydrophobicContact CZ-CB 4.11Å; F203-K295 HydrophobicContact CZ-CG 4.25Å; Y204-K295 WeakPolarHBondContact OH-CE 3.47Å; Y204-K295 PolarHBondContact OH-NZ 2.73Å; I276-K295 HydrophobicContact CD1-CB 4.27Å; I276-K295 HydrophobicContact CD1-CD 4.49Å; I276-K295 HydrophobicContact CG1-CB 4.18Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.28Å; L292-K295 WeakPolarHBondContact O-CB 3.33Å; L292-K295 PolarHBondContact O-N 3.02Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 2.74Å; K295-F299 WeakPolarHBondContact O-CB 3.48Å; K295-F299 PolarHBondContact O-N 2.93Å; K295-L396 HydrophobicContact CD-CD1 4.44Å; K295-L396 HydrophobicContact CG-CD1 3.98Å; K295-L396 HydrophobicContact CG-CD2 3.8Å
296	Q	97.4	Very high	90.4	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-48.4	175.1	-74.7	177	-22.1	0	0	111.5	L88 I160 I276 V279 L292 R293 F299 V300	L88-Q296 HydrophobicContact CD2-CB 4.44Å; I160-Q296 HydrophobicContact CD1-CB 3.75Å; I160-Q296 HydrophobicContact CD1-CG 4.16Å; I160-Q296 WeakPolarHBondContact CD1-O 3.45Å; I276-Q296 HydrophobicContact CG2-CG 4.11Å; I276-Q296 WeakPolarHBondContact O-CG 3.35Å; I276-Q296 PolarHBondContact O-NE2 3.07Å; V279-Q296 PolarHBondContact O-NE2 3.08Å; L292-Q296 WeakPolarHBondContact O-CG 3.4Å; L292-Q296 PolarHBondContact O-N 3.39Å; R293-Q296 WeakPolarHBondContact O-CB 3.38Å; R293-Q296 PolarHBondContact O-N 3Å; R293-Q296 VanDerWaalsContact O-N 3.1Å; Q296-F299 PolarHBondContact O-N 2.98Å; Q296-V300 PolarHBondContact O-N 3.35Å; Q296-V300 VanDerWaalsContact O-N 3.14Å
297	E	98.1	Very high	92.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-60.1	-49.3	179.1	-71.2	171.8	-164.5	0	0	111.8	L88 R293 L294 F299 V300 V301 H342 L345 W388	L88-E297 HydrophobicContact CD1-CG 4.45Å; L88-E297 HydrophobicContact CD2-CG 3.55Å; R293-E297 IonicContact CZ-OE1 2.65Å; R293-E297 IonicContact NE-OE1 3.99Å; R293-E297 PolarHBondContact NE-OE1 3.43Å; R293-E297 IonicContact NH2-OE1 3.19Å; R293-E297 PolarHBondContact O-N 3.49Å; L294-E297 PolarHBondContact O-N 2.97Å; E297-F299 PolarHBondContact O-N 2.93Å; E297-V300 VanDerWaalsContact O-CG1 3.24Å; E297-V300 WeakPolarHBondContact O-CG1 3.29Å; E297-V301 WeakPolarHBondContact O-CB 3.4Å; E297-V301 VanDerWaalsContact O-CG2 3.25Å; E297-V301 WeakPolarHBondContact O-CG2 3.24Å; E297-V301 PolarHBondContact O-N 3.06Å; E297-H342 WeakPolarHBondContact CB-O 3.21Å; E297-H342 HydrophobicContact CG-CB 4.47Å; E297-H342 VanDerWaalsContact CG-O 3.25Å; E297-H342 WeakPolarHBondContact CG-O 3.5Å; E297-L345 HydrophobicContact CB-CD1 4.34Å; E297-W388 PolarHBondContact OE2-NE1 3.33Å
298	Y	98.8	Very high	94.1	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-67	-38.4	177.8	-173.1	-114.1	0	0	0	112.5	V201 H202 F203 W216 L294 V300 V301 A302 L345 E349 L397 H400	V201-Y298 HydrophobicContact CG1-CD1 4.09Å; V201-Y298 HydrophobicContact CG1-CE1 4.04Å; H202-Y298 WeakPolarHBondContact O-CE1 3.33Å; F203-Y298 HydrophobicContact CD1-CD1 4.1Å; F203-Y298 AromaticContact CE1-CD1 3.64Å; F203-Y298 HydrophobicContact CE1-CD1 3.64Å; F203-Y298 HydrophobicContact CE1-CG 4.36Å; F203-Y298 HydrophobicContact CZ-CD1 4.2Å; W216-Y298 HydrophobicContact CH2-CE1 4.02Å; W216-Y298 HydrophobicContact CZ3-CE1 4.3Å; W216-Y298 WeakPolarHBondContact CZ3-OH 3.33Å; L294-Y298 PolarHBondContact O-N 2.98Å; Y298-V300 PolarHBondContact O-N 3.5Å; Y298-V301 PolarHBondContact O-N 3.04Å; Y298-A302 HydrophobicContact CD1-CB 4.38Å; Y298-A302 HydrophobicContact CE1-CB 3.9Å; Y298-A302 HydrophobicContact CE2-CB 4.08Å; Y298-A302 WeakPolarHBondContact O-CB 3.37Å; Y298-A302 PolarHBondContact O-N 3.47Å; Y298-L345 HydrophobicContact CD2-CB 4.44Å; Y298-L345 HydrophobicContact CD2-CD1 4.06Å; Y298-L345 HydrophobicContact CG-CD1 4.39Å; Y298-E349 HydrophobicContact CE2-CB 4.29Å; Y298-E349 HydrophobicContact CE2-CG 4.29Å; Y298-E349 WeakPolarHBondContact CE2-OE2 3.4Å; Y298-E349 PolarHBondContact OH-OE2 3.44Å; Y298-L397 HydrophobicContact CD1-CD2 3.46Å; Y298-L397 VanDerWaalsContact CD1-CD2 3.46Å; Y298-L397 HydrophobicContact CD2-CD1 4.04Å; Y298-L397 HydrophobicContact CD2-CD2 3.99Å; Y298-L397 HydrophobicContact CE1-CD2 3.68Å; Y298-L397 HydrophobicContact CE2-CD2 4.21Å; Y298-L397 HydrophobicContact CG-CD1 3.95Å; Y298-L397 HydrophobicContact CG-CD2 3.62Å; Y298-L397 HydrophobicContact CG-CG 4.46Å; Y298-H400 AromaticContact CE2-CD2 3.91Å; Y298-H400 AromaticContact CE2-CE1 3.53Å; Y298-H400 AromaticContact CE2-NE2 3.18Å; Y298-H400 WeakPolarHBondContact CE2-NE2 3.48Å; Y298-H400 AromaticContact CZ-CE1 3.47Å; Y298-H400 VanDerWaalsContact CZ-CE1 3.47Å; Y298-H400 AromaticContact CZ-NE2 3.54Å; Y298-H400 PolarHBondContact OH-CE1 3.45Å; Y298-H400 VanDerWaalsContact OH-CE1 3.24Å; Y298-H400 PolarHBondContact OH-NE2 2.78Å
299	F	98.8	Very high	95.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.3	-49.3	-178.7	176.2	-102.7	0	0	0	112.6	V201 F203 V222 A224 W245 A247 I276 K295 Q296 E297 V301 A303	V201-F299 HydrophobicContact CB-CD2 4.1Å; V201-F299 HydrophobicContact CG1-CD2 4.17Å; V201-F299 HydrophobicContact CG2-CD2 3.88Å; V201-F299 HydrophobicContact CG2-CE2 4.15Å; F203-F299 HydrophobicContact CZ-CB 4.23Å; V222-F299 HydrophobicContact CG1-CD2 4.46Å; V222-F299 HydrophobicContact CG1-CE2 4.05Å; A224-F299 HydrophobicContact CB-CE1 4.48Å; A224-F299 HydrophobicContact CB-CE2 3.59Å; A224-F299 HydrophobicContact CB-CZ 3.56Å; W245-F299 HydrophobicContact CB-CD1 4.34Å; W245-F299 HydrophobicContact CB-CE1 3.51Å; W245-F299 HydrophobicContact CB-CZ 4.05Å; A247-F299 HydrophobicContact CB-CE1 4.27Å; A247-F299 HydrophobicContact CB-CE2 4Å; A247-F299 HydrophobicContact CB-CZ 3.75Å; I276-F299 HydrophobicContact CG2-CB 3.75Å; I276-F299 HydrophobicContact CG2-CD1 3.84Å; I276-F299 HydrophobicContact CG2-CD2 4.3Å; I276-F299 HydrophobicContact CG2-CG 3.71Å; K295-F299 WeakPolarHBondContact O-CB 3.48Å; K295-F299 PolarHBondContact O-N 2.93Å; Q296-F299 PolarHBondContact O-N 2.98Å; E297-F299 PolarHBondContact O-N 2.93Å; F299-V301 VanDerWaalsContact C-N 3.32Å; F299-V301 PolarHBondContact O-N 3.23Å; F299-A303 WeakPolarHBondContact O-CB 3.29Å; F299-A303 PolarHBondContact O-N 3.05Å
300	V	98.5	Very high	96.3	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-64.8	-39.1	177.4	64.2	0	0	0	0	111.1	L88 I160 Q296 E297 Y298 T304	L88-V300 HydrophobicContact CD1-CG1 3.62Å; L88-V300 HydrophobicContact CG-CG1 4.35Å; I160-V300 HydrophobicContact CD1-CB 4.31Å; I160-V300 HydrophobicContact CG1-CB 3.91Å; I160-V300 HydrophobicContact CG1-CG2 4.38Å; Q296-V300 PolarHBondContact O-N 3.35Å; Q296-V300 VanDerWaalsContact O-N 3.14Å; E297-V300 VanDerWaalsContact O-CG1 3.24Å; E297-V300 WeakPolarHBondContact O-CG1 3.29Å; Y298-V300 PolarHBondContact O-N 3.5Å; V300-T304 WeakPolarHBondContact O-CB 3.17Å; V300-T304 PolarHBondContact O-N 3.46Å; V300-T304 VanDerWaalsContact O-N 3.08Å; V300-T304 PolarHBondContact O-OG1 2.99Å
301	V	98.9	Very high	96.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.1	-54.2	-179.7	164.4	0	0	0	0	111.5	E297 Y298 F299 A303 T304 L305 P343 L345 S346 E349	E297-V301 WeakPolarHBondContact O-CB 3.4Å; E297-V301 VanDerWaalsContact O-CG2 3.25Å; E297-V301 WeakPolarHBondContact O-CG2 3.24Å; E297-V301 PolarHBondContact O-N 3.06Å; Y298-V301 PolarHBondContact O-N 3.04Å; F299-V301 VanDerWaalsContact C-N 3.32Å; F299-V301 PolarHBondContact O-N 3.23Å; V301-A303 PolarHBondContact O-N 3.41Å; V301-T304 PolarHBondContact O-N 3.2Å; V301-L305 HydrophobicContact CG1-CD1 3.91Å; V301-L305 PolarHBondContact O-N 3.11Å; V301-P343 HydrophobicContact CG2-CB 4.19Å; V301-L345 HydrophobicContact CB-CB 4.44Å; V301-L345 HydrophobicContact CG1-CB 4.22Å; V301-L345 HydrophobicContact CG2-CB 4.21Å; V301-S346 VanDerWaalsContact CG1-CA 3.5Å; V301-S346 WeakPolarHBondContact CG2-OG 3.26Å; V301-E349 HydrophobicContact CG1-CB 3.81Å; V301-E349 HydrophobicContact CG1-CG 4.08Å
302	A	98.9	Very high	97.1	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	5%	0.047	C	C	.	.	H	α-helix	trans	-63	-44.7	-175	0	0	0	0	0	111.8	V201 Y298 Q306	V201-A302 HydrophobicContact CG1-CB 3.95Å; V201-A302 HydrophobicContact CG2-CB 4.15Å; Y298-A302 HydrophobicContact CD1-CB 4.38Å; Y298-A302 HydrophobicContact CE1-CB 3.9Å; Y298-A302 HydrophobicContact CE2-CB 4.08Å; Y298-A302 WeakPolarHBondContact O-CB 3.37Å; Y298-A302 PolarHBondContact O-N 3.47Å; A302-Q306 VanDerWaalsContact O-CG 3.29Å; A302-Q306 WeakPolarHBondContact O-CG 3.37Å; A302-Q306 PolarHBondContact O-N 2.87Å; A302-Q306 PolarHBondContact O-NE2 2.89Å
303	A	98.8	Very high	97.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.3	-41.7	177.3	0	0	0	0	0	111.7	L199 V201 A224 W245 F299 V301 D307	L199-A303 WeakPolarHBondContact CD1-O 3.33Å; V201-A303 HydrophobicContact CG2-CB 4.14Å; A224-A303 HydrophobicContact CB-CB 3.48Å; A224-A303 VanDerWaalsContact CB-CB 3.48Å; W245-A303 HydrophobicContact CD2-CB 3.66Å; W245-A303 HydrophobicContact CE3-CB 4.07Å; W245-A303 HydrophobicContact CG-CB 4.01Å; W245-A303 HydrophobicContact CH2-CB 4.33Å; W245-A303 HydrophobicContact CZ2-CB 3.94Å; W245-A303 WeakPolarHBondContact CZ2-O 3.26Å; W245-A303 HydrophobicContact CZ3-CB 4.36Å; F299-A303 WeakPolarHBondContact O-CB 3.29Å; F299-A303 PolarHBondContact O-N 3.05Å; V301-A303 PolarHBondContact O-N 3.41Å; A303-D307 PolarHBondContact O-N 2.88Å; A303-D307 VanDerWaalsContact O-N 3.12Å
304	T	98.9	Very high	97	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.4	-46.5	-178.7	-61	0	0	0	0	112.1	L86 Y158 W245 V300 V301 Q306 D307 I308	L86-T304 HydrophobicContact CD1-CG2 3.91Å; L86-T304 HydrophobicContact CD2-CG2 4.13Å; L86-T304 HydrophobicContact CG-CG2 4.04Å; Y158-T304 HydrophobicContact CD1-CG2 3.49Å; Y158-T304 VanDerWaalsContact CD1-CG2 3.49Å; Y158-T304 VanDerWaalsContact CD1-OG1 3.24Å; Y158-T304 WeakPolarHBondContact CD1-OG1 3.23Å; Y158-T304 HydrophobicContact CD2-CG2 3.93Å; Y158-T304 HydrophobicContact CE1-CG2 3.94Å; Y158-T304 HydrophobicContact CE2-CG2 4.38Å; Y158-T304 HydrophobicContact CG-CG2 3.45Å; Y158-T304 VanDerWaalsContact CG-CG2 3.45Å; W245-T304 PolarHBondContact NE1-OG1 3.47Å; V300-T304 WeakPolarHBondContact O-CB 3.17Å; V300-T304 PolarHBondContact O-N 3.46Å; V300-T304 VanDerWaalsContact O-N 3.08Å; V300-T304 PolarHBondContact O-OG1 2.99Å; V301-T304 PolarHBondContact O-N 3.2Å; T304-Q306 PolarHBondContact O-N 3.17Å; T304-D307 PolarHBondContact O-N 2.89Å; T304-D307 VanDerWaalsContact O-N 3.15Å; T304-I308 HydrophobicContact CG2-CD1 3.7Å; T304-I308 HydrophobicContact CG2-CG1 4.24Å; T304-I308 VanDerWaalsContact O-CG1 3.29Å; T304-I308 WeakPolarHBondContact O-CG1 3.49Å; T304-I308 PolarHBondContact O-N 3.17Å
305	L	98.8	Very high	96.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-39.6	-179.5	-76	175.7	0	0	0	112.4	V301 D307 I308 I309 I336 E349 L350 I353	V301-L305 HydrophobicContact CG1-CD1 3.91Å; V301-L305 PolarHBondContact O-N 3.11Å; L305-D307 VanDerWaalsContact C-N 3.33Å; L305-D307 PolarHBondContact O-N 2.91Å; L305-I308 HydrophobicContact CD2-CD1 4.48Å; L305-I308 PolarHBondContact O-N 2.96Å; L305-I309 WeakPolarHBondContact O-CB 3.35Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.36Å; L305-I309 PolarHBondContact O-N 3.16Å; L305-I336 HydrophobicContact CD2-CD1 3.48Å; L305-I336 VanDerWaalsContact CD2-CD1 3.48Å; L305-E349 HydrophobicContact CD1-CB 3.7Å; L305-E349 HydrophobicContact CD1-CG 3.52Å; L305-L350 HydrophobicContact CD1-CB 4.11Å; L305-L350 HydrophobicContact CD2-CB 4.49Å; L305-L350 HydrophobicContact CD2-CD1 4.47Å; L305-I353 HydrophobicContact CB-CD1 3.97Å
306	Q	98.6	Very high	95.1	Very high	50 Å²	50	16.8 Å²	16.8	23%	0.234	8%	0.076	C	C	.	.	H	α-helix	trans	-59.6	-43.6	172	-73.8	177.1	80	0	0	111.8	L199 P200 A302 T304 I309 R310	L199-Q306 HydrophobicContact CD1-CB 3.9Å; L199-Q306 HydrophobicContact CD2-CB 4.49Å; P200-Q306 PolarHBondContact O-NE2 2.82Å; A302-Q306 VanDerWaalsContact O-CG 3.29Å; A302-Q306 WeakPolarHBondContact O-CG 3.37Å; A302-Q306 PolarHBondContact O-N 2.87Å; A302-Q306 PolarHBondContact O-NE2 2.89Å; T304-Q306 PolarHBondContact O-N 3.17Å; Q306-I309 PolarHBondContact O-N 3.08Å; Q306-R310 VanDerWaalsContact O-CB 3.25Å; Q306-R310 WeakPolarHBondContact O-CB 3.35Å; Q306-R310 PolarHBondContact O-N 2.96Å
307	D	98.5	Very high	93.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.1	-38.2	178.1	-165.9	50.9	0	0	0	113	Y158 L199 R243 W245 A303 T304 L305 R310 R311	Y158-D307 HydrophobicContact CE1-CB 4.45Å; Y158-D307 PolarHBondContact OH-OD2 2.95Å; L199-D307 HydrophobicContact CD1-CB 4.06Å; R243-D307 IonicContact CZ-OD2 2.78Å; R243-D307 IonicContact NE-OD2 3.27Å; R243-D307 VanDerWaalsContact NH1-CG 3.27Å; R243-D307 IonicContact NH1-OD1 2.69Å; R243-D307 PolarHBondContact NH1-OD1 3.42Å; R243-D307 VanDerWaalsContact NH1-OD1 3.13Å; R243-D307 IonicContact NH1-OD2 3.36Å; R243-D307 PolarHBondContact NH1-OD2 3.21Å; W245-D307 HydrophobicContact CH2-CB 4.02Å; W245-D307 HydrophobicContact CZ2-CB 3.93Å; A303-D307 PolarHBondContact O-N 2.88Å; A303-D307 VanDerWaalsContact O-N 3.12Å; T304-D307 PolarHBondContact O-N 2.89Å; T304-D307 VanDerWaalsContact O-N 3.15Å; L305-D307 VanDerWaalsContact C-N 3.33Å; L305-D307 PolarHBondContact O-N 2.91Å; D307-R310 IonicContact OD1-CZ 3.29Å; D307-R310 IonicContact OD1-NE 3.62Å; D307-R310 PolarHBondContact OD1-NE 2.77Å; D307-R310 IonicContact OD1-NH2 3.78Å; D307-R310 PolarHBondContact OD1-NH2 2.81Å; D307-R311 WeakPolarHBondContact O-CB 3.47Å; D307-R311 PolarHBondContact O-N 3.32Å; D307-R311 IonicContact OD2-CZ 3.46Å; D307-R311 IonicContact OD2-NH1 2.67Å; D307-R311 IonicContact OD2-NH2 2.66Å; D307-R311 PolarHBondContact OD2-NH2 3.25Å
308	I	98.4	Very high	92.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-50.3	174.7	-70.8	170.8	0	0	0	110.4	Y84 T304 L305 R310 R311 F312 F330 V334 I336	Y84-I308 HydrophobicContact CD1-CD1 3.93Å; Y84-I308 HydrophobicContact CD1-CG1 3.81Å; Y84-I308 HydrophobicContact CD2-CD1 3.65Å; Y84-I308 HydrophobicContact CD2-CG1 3.84Å; Y84-I308 HydrophobicContact CD2-CG2 4.13Å; Y84-I308 HydrophobicContact CE1-CD1 4.47Å; Y84-I308 HydrophobicContact CE1-CG1 3.86Å; Y84-I308 HydrophobicContact CE2-CB 4.36Å; Y84-I308 HydrophobicContact CE2-CD1 4.18Å; Y84-I308 HydrophobicContact CE2-CG1 3.85Å; Y84-I308 HydrophobicContact CE2-CG2 3.75Å; Y84-I308 HydrophobicContact CG-CD1 3.47Å; Y84-I308 VanDerWaalsContact CG-CD1 3.47Å; Y84-I308 HydrophobicContact CG-CG1 3.78Å; T304-I308 HydrophobicContact CG2-CD1 3.7Å; T304-I308 HydrophobicContact CG2-CG1 4.24Å; T304-I308 VanDerWaalsContact O-CG1 3.29Å; T304-I308 WeakPolarHBondContact O-CG1 3.49Å; T304-I308 PolarHBondContact O-N 3.17Å; L305-I308 HydrophobicContact CD2-CD1 4.48Å; L305-I308 PolarHBondContact O-N 2.96Å; I308-R310 VanDerWaalsContact C-N 3.35Å; I308-R310 PolarHBondContact O-N 3.5Å; I308-R311 PolarHBondContact O-N 3.45Å; I308-R311 VanDerWaalsContact O-N 3.16Å; I308-F312 WeakPolarHBondContact O-CB 3.32Å; I308-F312 PolarHBondContact O-N 3.23Å; I308-F330 HydrophobicContact CG2-CE2 4.28Å; I308-F330 HydrophobicContact CG2-CZ 3.92Å; I308-V334 HydrophobicContact CG2-CG1 3.68Å; I308-V334 HydrophobicContact CG2-CG2 4.08Å; I308-I336 HydrophobicContact CD1-CD1 4Å; I308-I336 HydrophobicContact CD1-CG1 4.16Å
309	I	97.4	Very high	90.8	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-42.7	-178.8	-69.6	169.9	0	0	0	110.3	L305 Q306 R311 F312 K313 F327 F330 L350 I353	L305-I309 WeakPolarHBondContact O-CB 3.35Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.36Å; L305-I309 PolarHBondContact O-N 3.16Å; Q306-I309 PolarHBondContact O-N 3.08Å; I309-R311 VanDerWaalsContact C-N 3.33Å; I309-R311 PolarHBondContact O-N 3.22Å; I309-F312 PolarHBondContact O-N 3.14Å; I309-K313 HydrophobicContact CG2-CD 4.23Å; I309-K313 HydrophobicContact CG2-CG 4.42Å; I309-K313 WeakPolarHBondContact O-CG 3.42Å; I309-K313 PolarHBondContact O-N 3.49Å; I309-F327 HydrophobicContact CG1-CE1 4.37Å; I309-F327 HydrophobicContact CG2-CE1 4Å; I309-F327 HydrophobicContact CG2-CZ 3.93Å; I309-F330 HydrophobicContact CG1-CE2 3.99Å; I309-F330 HydrophobicContact CG1-CZ 4.11Å; I309-L350 HydrophobicContact CD1-CD1 4.3Å; I309-I353 HydrophobicContact CD1-CB 4.11Å; I309-I353 HydrophobicContact CD1-CD1 3.89Å; I309-I353 HydrophobicContact CD1-CG2 3.48Å; I309-I353 VanDerWaalsContact CD1-CG2 3.48Å
310	R	95	Very high	89.4	Confident	70 Å²	70	36.9 Å²	36.9	26%	0.264	19%	0.185	S	C	.	.	H	α-helix	trans	-55.9	-46.8	172.6	-175.7	-172.2	65.1	73.5	-1	111.5	Q306 D307 I308 K313 S314	Q306-R310 VanDerWaalsContact O-CB 3.25Å; Q306-R310 WeakPolarHBondContact O-CB 3.35Å; Q306-R310 PolarHBondContact O-N 2.96Å; D307-R310 IonicContact OD1-CZ 3.29Å; D307-R310 IonicContact OD1-NE 3.62Å; D307-R310 PolarHBondContact OD1-NE 2.77Å; D307-R310 IonicContact OD1-NH2 3.78Å; D307-R310 PolarHBondContact OD1-NH2 2.81Å; I308-R310 VanDerWaalsContact C-N 3.35Å; I308-R310 PolarHBondContact O-N 3.5Å; R310-K313 PolarHBondContact O-N 3.3Å; R310-S314 PolarHBondContact O-N 3.47Å; R310-S314 PolarHBondContact O-OG 3.02Å
311	R	94.3	Very high	88.4	Confident	8 Å²	8	42.2 Å²	42.2	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-35.8	178.4	-168.7	177.8	-61.9	114.1	4.2	112.5	Y84 Y158 D307 I308 I309 S314	Y84-R311 PolarHBondContact OH-NH1 2.7Å; Y158-R311 PolarHBondContact OH-NH1 3.4Å; Y158-R311 PolarHBondContact OH-NH2 2.83Å; Y158-R311 VanDerWaalsContact OH-NH2 3.08Å; D307-R311 WeakPolarHBondContact O-CB 3.47Å; D307-R311 PolarHBondContact O-N 3.32Å; D307-R311 IonicContact OD2-CZ 3.46Å; D307-R311 IonicContact OD2-NH1 2.67Å; D307-R311 IonicContact OD2-NH2 2.66Å; D307-R311 PolarHBondContact OD2-NH2 3.25Å; I308-R311 PolarHBondContact O-N 3.45Å; I308-R311 VanDerWaalsContact O-N 3.16Å; I309-R311 VanDerWaalsContact C-N 3.33Å; I309-R311 PolarHBondContact O-N 3.22Å; R311-S314 CarbonylContact O-C 3.57Å
312	F	95.2	Very high	87.5	Confident	6 Å²	6	46 Å²	46	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-45.9	174.2	171.7	-99.6	0	0	0	111.6	I308 I309 R324 F327 F330 K333 V334	I308-F312 WeakPolarHBondContact O-CB 3.32Å; I308-F312 PolarHBondContact O-N 3.23Å; I309-F312 PolarHBondContact O-N 3.14Å; F312-R324 HydrophobicContact CD1-CB 4.21Å; F312-R324 HydrophobicContact CE1-CB 3.77Å; F312-R324 HydrophobicContact CZ-CB 4.06Å; F312-R324 VanDerWaalsContact CZ-CD 3.45Å; F312-R324 HydrophobicContact CZ-CG 4.39Å; F312-R324 WeakPolarHBondContact O-CD 3.34Å; F312-F327 HydrophobicContact CD1-CD1 4.47Å; F312-F327 HydrophobicContact CD1-CE1 4.33Å; F312-F327 HydrophobicContact CE1-CD1 4.17Å; F312-F327 HydrophobicContact CE1-CE1 4.41Å; F312-F330 HydrophobicContact CB-CD2 4.16Å; F312-F330 HydrophobicContact CB-CE2 4.01Å; F312-F330 AromaticContact CD1-CD2 3.71Å; F312-F330 HydrophobicContact CD1-CD2 3.71Å; F312-F330 HydrophobicContact CD1-CE2 4.24Å; F312-F330 AromaticContact CD2-CD2 3.78Å; F312-F330 HydrophobicContact CD2-CD2 3.78Å; F312-F330 HydrophobicContact CD2-CE2 4.42Å; F312-F330 AromaticContact CE1-CD2 3.97Å; F312-F330 HydrophobicContact CE1-CD2 3.97Å; F312-F330 HydrophobicContact CE2-CB 4.21Å; F312-F330 HydrophobicContact CE2-CD2 4.05Å; F312-F330 AromaticContact CG-CD2 3.6Å; F312-F330 HydrophobicContact CG-CD2 3.6Å; F312-F330 AromaticContact CG-CE2 3.98Å; F312-F330 HydrophobicContact CG-CE2 3.98Å; F312-F330 HydrophobicContact CZ-CB 4.08Å; F312-F330 HydrophobicContact CZ-CD2 4.12Å; F312-K333 HydrophobicContact CD2-CB 3.95Å; F312-K333 HydrophobicContact CE2-CB 3.98Å; F312-K333 HydrophobicContact CE2-CG 4.26Å; F312-V334 HydrophobicContact CD2-CG2 4.3Å
313	K	93.2	Very high	86.8	Confident	42 Å²	42	49.8 Å²	49.8	18%	0.183	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-44.9	177.1	-71.3	-173.6	167.3	-178	0	111.7	I309 R310 S315 P322 V323 R324 E358	I309-K313 HydrophobicContact CG2-CD 4.23Å; I309-K313 HydrophobicContact CG2-CG 4.42Å; I309-K313 WeakPolarHBondContact O-CG 3.42Å; I309-K313 PolarHBondContact O-N 3.49Å; R310-K313 PolarHBondContact O-N 3.3Å; K313-S315 PolarHBondContact O-N 3.49Å; K313-P322 HydrophobicContact CB-CB 4.24Å; K313-V323 PolarHBondContact O-N 3.43Å; K313-R324 WeakPolarHBondContact CG-O 3.46Å; K313-R324 PolarHBondContact O-N 3.44Å; K313-E358 WeakPolarHBondContact CE-OE1 3.38Å; K313-E358 IonicContact NZ-OE1 2.93Å; K313-E358 PolarHBondContact NZ-OE1 3.46Å; K313-E358 IonicContact NZ-OE2 3.69Å; K313-E358 PolarHBondContact NZ-OE2 3.25Å
314	S	87	Confident	86.2	Confident	16 Å²	16	52 Å²	52	11%	0.112	27%	0.27	C	S	.	.			trans	-94.6	64.3	-178.2	-52.3	0	0	0	0	112.5	R310 R311 K316 R320	R310-S314 PolarHBondContact O-N 3.47Å; R310-S314 PolarHBondContact O-OG 3.02Å; R311-S314 CarbonylContact O-C 3.57Å; S314-K316 PolarHBondContact O-N 3.25Å; S314-R320 PolarHBondContact OG-O 3.22Å
315	S	79.4	Confident	85.3	Confident	14 Å²	14	57.3 Å²	57.3	10%	0.098	30%	0.303	C	S	.	.			trans	-87.8	5.7	-173.9	70.7	0	0	0	0	115.7	K313	K313-S315 PolarHBondContact O-N 3.49Å
316	K	73.6	Confident	84.9	Confident	134 Å²	134	60.4 Å²	60.4	58%	0.583	32%	0.323	S	S	*	.	S	Bend	trans	-111.4	125.4	-178.3	-174.2	178.8	-178	-178.3	0	110.8	S314 G318 C319 V323	S314-K316 PolarHBondContact O-N 3.25Å; K316-G318 PolarHBondContact O-N 3.1Å; K316-C319 HydrophobicContact CB-CB 4.14Å; K316-C319 HydrophobicContact CD-CB 4.36Å; K316-C319 HydrophobicContact CG-CB 4.33Å; K316-C319 PolarHBondContact O-N 3.36Å; K316-C319 VanDerWaalsContact O-N 3.14Å; K316-V323 HydrophobicContact CB-CG2 4Å
317	F	69.2	Low	84.6	Confident	106 Å²	106	58.4 Å²	58.4	47%	0.465	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	135.1	177.4	-174	-105.5	0	0	0	111.6	Q73 Y76 E77 C319	Q73-F317 HydrophobicContact CB-CE2 4.05Å; Q73-F317 HydrophobicContact CG-CD2 3.99Å; Q73-F317 HydrophobicContact CG-CE1 4.4Å; Q73-F317 HydrophobicContact CG-CE2 3.51Å; Q73-F317 HydrophobicContact CG-CZ 3.75Å; Q73-F317 VanDerWaalsContact NE2-CZ 3.31Å; Y76-F317 HydrophobicContact CG-CD2 4.43Å; E77-F317 HydrophobicContact CG-CB 4.33Å; E77-F317 HydrophobicContact CG-CG 4.47Å; F317-C319 PolarHBondContact O-N 2.73Å
318	G	67.8	Low	84.3	Confident	80 Å²	80	64.3 Å²	64.3	83%	0.825	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	-3.1	-179.3	0	0	0	0	0	115.7	K316	K316-G318 PolarHBondContact O-N 3.1Å
319	C	68.6	Low	84.1	Confident	40 Å²	40	67.3 Å²	67.3	27%	0.27	36%	0.36	S	S	.	.			trans	-113.9	131.1	176.7	-169.7	0	0	0	0	110.4	K316 F317 D321	K316-C319 HydrophobicContact CB-CB 4.14Å; K316-C319 HydrophobicContact CD-CB 4.36Å; K316-C319 HydrophobicContact CG-CB 4.33Å; K316-C319 PolarHBondContact O-N 3.36Å; K316-C319 VanDerWaalsContact O-N 3.14Å; F317-C319 PolarHBondContact O-N 2.73Å; C319-D321 PolarHBondContact SG-N 3.18Å; C319-D321 VanDerWaalsContact SG-N 3.44Å
320	R	69.4	Low	84.1	Confident	198 Å²	198	66.9 Å²	66.9	75%	0.747	36%	0.358	S	S	*	.			trans	-96.7	-14	172.5	-68.7	-172.9	178.2	-170	-0.7	112.7	S314	S314-R320 PolarHBondContact OG-O 3.22Å
321	D	76.8	Confident	84.3	Confident	113 Å²	113	64 Å²	64	60%	0.604	35%	0.348	S	S	*	.	S	Bend	trans	-63.9	144.2	-179.4	-58	-29	0	0	0	110.5	C319 V323	C319-D321 PolarHBondContact SG-N 3.18Å; C319-D321 VanDerWaalsContact SG-N 3.44Å; D321-V323 PolarHBondContact O-N 3.43Å; D321-V323 VanDerWaalsContact O-N 3.11Å
322	P	79.1	Confident	84.4	Confident	81 Å²	81	68.6 Å²	68.6	53%	0.526	37%	0.373	S	S	.	.			trans	-59.9	115	172	-21.3	33	0	0	0	110.3	K313	K313-P322 HydrophobicContact CB-CB 4.24Å
323	V	84.3	Confident	84.5	Confident	79 Å²	79	70.9 Å²	70.9	48%	0.479	38%	0.383	S	S	.	.			trans	-94.7	-34.5	173.9	-174.3	0	0	0	0	110.4	K313 K316 D321	K313-V323 PolarHBondContact O-N 3.43Å; K316-V323 HydrophobicContact CB-CG2 4Å; D321-V323 PolarHBondContact O-N 3.43Å; D321-V323 VanDerWaalsContact O-N 3.11Å
324	R	85.9	Confident	84.8	Confident	46 Å²	46	69 Å²	69	17%	0.174	38%	0.375	C	S	.	.			trans	-100.3	119.4	171.8	-61.9	-173	176.5	117.7	10.7	110.2	D79 F312 K313	D79-R324 IonicContact OD1-NH1 2.65Å; D79-R324 PolarHBondContact OD1-NH1 2.69Å; D79-R324 IonicContact OD1-NH2 2.61Å; D79-R324 IonicContact OD2-CZ 3.08Å; D79-R324 IonicContact OD2-NH1 3.91Å; D79-R324 PolarHBondContact OD2-NH1 3.01Å; D79-R324 IonicContact OD2-NH2 2.86Å; D79-R324 PolarHBondContact OD2-NH2 3.49Å; F312-R324 HydrophobicContact CD1-CB 4.21Å; F312-R324 HydrophobicContact CE1-CB 3.77Å; F312-R324 HydrophobicContact CZ-CB 4.06Å; F312-R324 VanDerWaalsContact CZ-CD 3.45Å; F312-R324 HydrophobicContact CZ-CG 4.39Å; F312-R324 WeakPolarHBondContact O-CD 3.34Å; K313-R324 WeakPolarHBondContact CG-O 3.46Å; K313-R324 PolarHBondContact O-N 3.44Å
325	T	81.8	Confident	85.3	Confident	113 Å²	113	68.4 Å²	68.4	69%	0.693	37%	0.371	S	S	*	.			trans	-113.4	-17.4	171.9	53.1	0	0	0	0	112.3
326	C	88.5	Confident	86.3	Confident	64 Å²	64	67.8 Å²	67.8	43%	0.432	37%	0.367	S	S	.	.			trans	-92.4	131.5	173.3	-178	0	0	0	0	110.9	E328	C326-E328 VanDerWaalsContact SG-CG 3.54Å
327	F	94.4	Very high	87.5	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.035	34%	0.339	C	S	.	.			trans	-93.6	0.9	-178.4	-75.8	-96.4	0	0	0	114.2	I309 F312 T329 F330 L354 E358 V360 I368	I309-F327 HydrophobicContact CG1-CE1 4.37Å; I309-F327 HydrophobicContact CG2-CE1 4Å; I309-F327 HydrophobicContact CG2-CZ 3.93Å; F312-F327 HydrophobicContact CD1-CD1 4.47Å; F312-F327 HydrophobicContact CD1-CE1 4.33Å; F312-F327 HydrophobicContact CE1-CD1 4.17Å; F312-F327 HydrophobicContact CE1-CE1 4.41Å; F327-T329 PolarHBondContact O-N 2.78Å; F327-F330 HydrophobicContact CB-CB 4.37Å; F327-F330 HydrophobicContact CD1-CB 4.21Å; F327-F330 AromaticContact CD1-CD2 3.8Å; F327-F330 HydrophobicContact CD1-CD2 3.8Å; F327-F330 HydrophobicContact CD1-CE2 4.4Å; F327-F330 HydrophobicContact CD1-CG 4.14Å; F327-F330 HydrophobicContact CE1-CD2 4.15Å; F327-F330 HydrophobicContact CE1-CE2 4.35Å; F327-F330 WeakPolarHBondContact O-CB 3.23Å; F327-F330 PolarHBondContact O-N 3.18Å; F327-L354 HydrophobicContact CB-CD2 4.19Å; F327-L354 HydrophobicContact CD1-CD2 3.49Å; F327-L354 VanDerWaalsContact CD1-CD2 3.49Å; F327-L354 HydrophobicContact CD2-CD2 4.34Å; F327-L354 HydrophobicContact CE1-CD2 3.83Å; F327-L354 HydrophobicContact CG-CD2 3.76Å; F327-L354 HydrophobicContact CZ-CD2 4.39Å; F327-E358 HydrophobicContact CD2-CB 4.41Å; F327-E358 HydrophobicContact CE2-CB 3.84Å; F327-E358 HydrophobicContact CE2-CG 3.57Å; F327-E358 WeakPolarHBondContact CE2-OE2 3.35Å; F327-E358 HydrophobicContact CZ-CB 4.31Å; F327-E358 HydrophobicContact CZ-CG 3.57Å; F327-V360 HydrophobicContact CD2-CG2 4.46Å; F327-I368 HydrophobicContact CB-CD1 3.88Å
328	E	91.1	Very high	88.9	Confident	125 Å²	125	56.4 Å²	56.4	58%	0.584	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.2	178.6	-69	-175.3	162.2	0	0	112.8	C326 F330	C326-E328 VanDerWaalsContact SG-CG 3.54Å; E328-F330 VanDerWaalsContact C-N 3.3Å
329	T	93.9	Very high	90.3	Very high	62 Å²	62	52.6 Å²	52.6	38%	0.38	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7	177.7	59	0	0	0	0	113.3	F327 D332 K333	F327-T329 PolarHBondContact O-N 2.78Å; T329-D332 PolarHBondContact O-N 2.69Å; T329-K333 PolarHBondContact O-N 3.02Å
330	F	97.8	Very high	91.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-48.3	179.7	-171.3	-98.6	0	0	0	112.1	I308 I309 F312 F327 E328 D332 K333 V334 L350 I368 T372	I308-F330 HydrophobicContact CG2-CE2 4.28Å; I308-F330 HydrophobicContact CG2-CZ 3.92Å; I309-F330 HydrophobicContact CG1-CE2 3.99Å; I309-F330 HydrophobicContact CG1-CZ 4.11Å; F312-F330 HydrophobicContact CB-CD2 4.16Å; F312-F330 HydrophobicContact CB-CE2 4.01Å; F312-F330 AromaticContact CD1-CD2 3.71Å; F312-F330 HydrophobicContact CD1-CD2 3.71Å; F312-F330 HydrophobicContact CD1-CE2 4.24Å; F312-F330 AromaticContact CD2-CD2 3.78Å; F312-F330 HydrophobicContact CD2-CD2 3.78Å; F312-F330 HydrophobicContact CD2-CE2 4.42Å; F312-F330 AromaticContact CE1-CD2 3.97Å; F312-F330 HydrophobicContact CE1-CD2 3.97Å; F312-F330 HydrophobicContact CE2-CB 4.21Å; F312-F330 HydrophobicContact CE2-CD2 4.05Å; F312-F330 AromaticContact CG-CD2 3.6Å; F312-F330 HydrophobicContact CG-CD2 3.6Å; F312-F330 AromaticContact CG-CE2 3.98Å; F312-F330 HydrophobicContact CG-CE2 3.98Å; F312-F330 HydrophobicContact CZ-CB 4.08Å; F312-F330 HydrophobicContact CZ-CD2 4.12Å; F327-F330 HydrophobicContact CB-CB 4.37Å; F327-F330 HydrophobicContact CD1-CB 4.21Å; F327-F330 AromaticContact CD1-CD2 3.8Å; F327-F330 HydrophobicContact CD1-CD2 3.8Å; F327-F330 HydrophobicContact CD1-CE2 4.4Å; F327-F330 HydrophobicContact CD1-CG 4.14Å; F327-F330 HydrophobicContact CE1-CD2 4.15Å; F327-F330 HydrophobicContact CE1-CE2 4.35Å; F327-F330 WeakPolarHBondContact O-CB 3.23Å; F327-F330 PolarHBondContact O-N 3.18Å; E328-F330 VanDerWaalsContact C-N 3.3Å; F330-D332 PolarHBondContact O-N 3.36Å; F330-K333 CarbonylContact O-C 3.58Å; F330-K333 PolarHBondContact O-N 2.87Å; F330-V334 HydrophobicContact CD1-CB 4.19Å; F330-V334 HydrophobicContact CD1-CG2 4.43Å; F330-V334 HydrophobicContact CD2-CG2 3.97Å; F330-V334 HydrophobicContact CE1-CB 4.01Å; F330-V334 HydrophobicContact CE1-CG1 3.88Å; F330-V334 HydrophobicContact CE1-CG2 4.25Å; F330-V334 HydrophobicContact CE2-CB 4.4Å; F330-V334 HydrophobicContact CE2-CG2 3.74Å; F330-V334 HydrophobicContact CG-CG2 4.31Å; F330-V334 HydrophobicContact CZ-CB 4.11Å; F330-V334 HydrophobicContact CZ-CG1 3.88Å; F330-V334 HydrophobicContact CZ-CG2 3.9Å; F330-V334 WeakPolarHBondContact O-CB 3.42Å; F330-V334 PolarHBondContact O-N 2.83Å; F330-L350 HydrophobicContact CE1-CD1 4.18Å; F330-L350 HydrophobicContact CE1-CD2 4.28Å; F330-L350 HydrophobicContact CZ-CD1 4.38Å; F330-I368 HydrophobicContact CB-CG2 4.06Å; F330-I368 HydrophobicContact CD1-CG2 3.76Å; F330-I368 HydrophobicContact CG-CG2 4.27Å; F330-T372 HydrophobicContact CD1-CG2 4.25Å; F330-T372 HydrophobicContact CE1-CG2 3.87Å
331	P	98.3	Very high	92.9	Very high	10 Å²	10	41.9 Å²	41.9	7%	0.065	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-21.3	178.5	-18.3	33.5	0	0	0	113.8	K81 K333 I368 K371	K81-P331 WeakPolarHBondContact CE-O 3.48Å; K81-P331 PolarHBondContact NZ-O 3.28Å; P331-K333 VanDerWaalsContact C-N 3.26Å; P331-I368 HydrophobicContact CG-CB 4.47Å; P331-I368 HydrophobicContact CG-CG2 4.18Å; P331-K371 HydrophobicContact CB-CB 3.67Å; P331-K371 HydrophobicContact CG-CB 3.81Å
332	D	97.2	Very high	93.8	Very high	103 Å²	103	37.4 Å²	37.4	55%	0.551	21%	0.208	S	C	*	.	H	α-helix	trans	-77.1	-17.8	175.6	-56.1	-35.1	0	0	0	112	K81 T329 F330	K81-D332 WeakPolarHBondContact CB-O 3.5Å; K81-D332 WeakPolarHBondContact CD-O 3.48Å; K81-D332 WeakPolarHBondContact CG-O 3.49Å; T329-D332 PolarHBondContact O-N 2.69Å; F330-D332 PolarHBondContact O-N 3.36Å
333	K	97.8	Very high	94.7	Very high	55 Å²	55	33.6 Å²	33.6	24%	0.239	18%	0.183	C	C	.	.	H	α-helix	trans	-116	-13.1	-176.7	-65.6	-67.1	177.2	166.2	0	113.7	D79 R82 F312 T329 F330 P331	D79-K333 PolarHBondContact O-NZ 3.15Å; D79-K333 WeakPolarHBondContact OD2-CE 3.46Å; D79-K333 IonicContact OD2-NZ 2.67Å; D79-K333 PolarHBondContact OD2-NZ 3.3Å; R82-K333 PolarHBondContact N-O 3.11Å; F312-K333 HydrophobicContact CD2-CB 3.95Å; F312-K333 HydrophobicContact CE2-CB 3.98Å; F312-K333 HydrophobicContact CE2-CG 4.26Å; T329-K333 PolarHBondContact O-N 3.02Å; F330-K333 CarbonylContact O-C 3.58Å; F330-K333 PolarHBondContact O-N 2.87Å; P331-K333 VanDerWaalsContact C-N 3.26Å
334	V	98.8	Very high	95.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.9	-174.3	-179.1	0	0	0	0	109.5	Y84 I308 F312 F330 I336 T372	Y84-V334 HydrophobicContact CD2-CG1 3.77Å; Y84-V334 HydrophobicContact CE2-CB 4.49Å; Y84-V334 HydrophobicContact CE2-CG1 3.85Å; Y84-V334 HydrophobicContact CE2-CG2 4.35Å; I308-V334 HydrophobicContact CG2-CG1 3.68Å; I308-V334 HydrophobicContact CG2-CG2 4.08Å; F312-V334 HydrophobicContact CD2-CG2 4.3Å; F330-V334 HydrophobicContact CD1-CB 4.19Å; F330-V334 HydrophobicContact CD1-CG2 4.43Å; F330-V334 HydrophobicContact CD2-CG2 3.97Å; F330-V334 HydrophobicContact CE1-CB 4.01Å; F330-V334 HydrophobicContact CE1-CG1 3.88Å; F330-V334 HydrophobicContact CE1-CG2 4.25Å; F330-V334 HydrophobicContact CE2-CB 4.4Å; F330-V334 HydrophobicContact CE2-CG2 3.74Å; F330-V334 HydrophobicContact CG-CG2 4.31Å; F330-V334 HydrophobicContact CZ-CB 4.11Å; F330-V334 HydrophobicContact CZ-CG1 3.88Å; F330-V334 HydrophobicContact CZ-CG2 3.9Å; F330-V334 WeakPolarHBondContact O-CB 3.42Å; F330-V334 PolarHBondContact O-N 2.83Å; V334-I336 HydrophobicContact CG1-CD1 4.26Å; V334-I336 HydrophobicContact CG1-CG1 3.95Å; V334-T372 HydrophobicContact CB-CG2 4.22Å; V334-T372 HydrophobicContact CG1-CG2 3.69Å
335	A	98.9	Very high	96	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.033	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.9	162.5	0	0	0	0	0	109	R82 Y84 W826	R82-A335 PolarHBondContact O-N 2.99Å; Y84-A335 PolarHBondContact N-O 2.88Å; A335-W826 HydrophobicContact CB-CB 4.15Å; A335-W826 HydrophobicContact CB-CG 4.19Å
336	I	98.9	Very high	96.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.5	178.5	-62.8	177.1	0	0	0	108.1	Y84 L86 L305 I308 V334 L338 T372 C373 A374	Y84-I336 WeakPolarHBondContact O-CA 3.49Å; L86-I336 HydrophobicContact CD1-CG2 3.93Å; L86-I336 HydrophobicContact CD2-CG2 4.15Å; L305-I336 HydrophobicContact CD2-CD1 3.48Å; L305-I336 VanDerWaalsContact CD2-CD1 3.48Å; I308-I336 HydrophobicContact CD1-CD1 4Å; I308-I336 HydrophobicContact CD1-CG1 4.16Å; V334-I336 HydrophobicContact CG1-CD1 4.26Å; V334-I336 HydrophobicContact CG1-CG1 3.95Å; I336-L338 HydrophobicContact CG2-CD2 3.88Å; I336-T372 HydrophobicContact CB-CG2 4.27Å; I336-T372 HydrophobicContact CD1-CG2 3.87Å; I336-T372 HydrophobicContact CG1-CG2 3.81Å; I336-T372 PolarHBondContact N-O 3.31Å; I336-C373 WeakPolarHBondContact O-CA 3.35Å; I336-A374 PolarHBondContact O-N 3.5Å
337	Q	98.9	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.8	174.3	-167.1	68.2	35.3	0	0	109.9	Y84 Y85 L86 T376 W826	Y84-Q337 PolarHBondContact O-N 3.4Å; Y85-Q337 HydrophobicContact CD2-CB 3.79Å; Y85-Q337 HydrophobicContact CD2-CG 3.86Å; Y85-Q337 HydrophobicContact CE2-CB 4.26Å; Y85-Q337 HydrophobicContact CE2-CG 3.8Å; L86-Q337 PolarHBondContact N-O 2.94Å; Q337-T376 PolarHBondContact NE2-OG1 2.77Å; Q337-W826 HydrophobicContact CB-CZ2 4.24Å; Q337-W826 HydrophobicContact CG-CZ2 4.24Å
338	L	98.8	Very high	97.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	110	176	-51.6	-177.4	0	0	0	109	I336 D340 P343 I347 A374 T376	I336-L338 HydrophobicContact CG2-CD2 3.88Å; L338-D340 PolarHBondContact O-N 2.78Å; L338-P343 HydrophobicContact CB-CG 3.92Å; L338-P343 HydrophobicContact CD2-CB 4.13Å; L338-P343 HydrophobicContact CD2-CG 3.96Å; L338-I347 HydrophobicContact CD1-CD1 4.09Å; L338-I347 HydrophobicContact CD1-CG1 4.39Å; L338-A374 PolarHBondContact N-O 3.45Å; L338-T376 PolarHBondContact O-N 2.97Å
339	N	97.7	Very high	97.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	94.5	176	-168.7	24.7	0	0	0	110.2	Y85 L86 S87 L137 H378	Y85-N339 HydrophobicContact CE1-CB 3.77Å; Y85-N339 PolarHBondContact OH-ND2 3.37Å; Y85-N339 PolarHBondContact OH-OD1 2.99Å; Y85-N339 VanDerWaalsContact OH-OD1 3.05Å; L86-N339 VanDerWaalsContact O-CB 3.28Å; L86-N339 WeakPolarHBondContact O-CB 3.5Å; L86-N339 PolarHBondContact O-N 3.42Å; S87-N339 PolarHBondContact OG-ND2 2.69Å; L137-N339 VanDerWaalsContact CD2-ND2 3.32Å; L137-N339 WeakPolarHBondContact CD2-ND2 3.42Å; N339-H378 PolarHBondContact OD1-NE2 2.92Å
340	D	96.1	Very high	98.1	Very high	13 Å²	13	9.9 Å²	9.9	7%	0.07	5%	0.051	C	C	.	.	S	Bend	trans	66.8	-168.4	-167.4	-142.2	-31.9	0	0	0	113.1	L137 L338 H342 P343 T376	L137-D340 HydrophobicContact CD1-CB 3.77Å; L338-D340 PolarHBondContact O-N 2.78Å; D340-H342 VanDerWaalsContact C-N 3.34Å; D340-P343 WeakPolarHBondContact O-CD 3.33Å; D340-T376 VanDerWaalsContact CA-O 3.27Å; D340-T376 WeakPolarHBondContact CA-O 3.15Å; D340-T376 PolarHBondContact N-O 3.43Å; D340-T376 VanDerWaalsContact N-O 3.07Å
341	T	96.9	Very high	98.2	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.051	C	C	.	.	S	Bend	trans	-79.6	-10.9	-178.8	55.8	0	0	0	0	114.5	A344 Y375 E386 M442 A443	T341-A344 WeakPolarHBondContact O-CA 3.24Å; T341-A344 WeakPolarHBondContact O-CB 3.41Å; T341-A344 PolarHBondContact O-N 2.93Å; T341-Y375 HydrophobicContact CG2-CE2 4.07Å; T341-E386 WeakPolarHBondContact CB-OE2 3.45Å; T341-E386 WeakPolarHBondContact OG1-CG 3.49Å; T341-E386 PolarHBondContact OG1-OE2 3.35Å; T341-M442 HydrophobicContact CG2-CB 4.26Å; T341-A443 HydrophobicContact CG2-CB 3.93Å
342	H	95.3	Very high	98.2	Very high	19 Å²	19	11 Å²	11	9%	0.088	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-41.1	-176.5	-43.7	128	0	0	0	114	L88 Y281 R293 E297 D340 A344 E386	L88-H342 HydrophobicContact CB-CB 4.37Å; L88-H342 HydrophobicContact CD1-CB 3.69Å; L88-H342 HydrophobicContact CD2-CB 4.16Å; L88-H342 HydrophobicContact CG-CB 4.27Å; Y281-H342 PolarHBondContact OH-CE1 2.85Å; Y281-H342 VanDerWaalsContact OH-CE1 3.23Å; Y281-H342 PolarHBondContact OH-NE2 3.33Å; R293-H342 PolarHBondContact NH2-CD2 2.93Å; R293-H342 PolarHBondContact NH2-NE2 2.82Å; E297-H342 WeakPolarHBondContact CB-O 3.21Å; E297-H342 HydrophobicContact CG-CB 4.47Å; E297-H342 VanDerWaalsContact CG-O 3.25Å; E297-H342 WeakPolarHBondContact CG-O 3.5Å; D340-H342 VanDerWaalsContact C-N 3.34Å; H342-A344 VanDerWaalsContact C-N 3.35Å; H342-E386 WeakPolarHBondContact CA-OE2 3.49Å; H342-E386 IonicContact CD2-OE1 3.7Å; H342-E386 PolarHBondContact CD2-OE1 3.41Å; H342-E386 IonicContact CD2-OE2 2.71Å; H342-E386 PolarHBondContact CD2-OE2 2.86Å; H342-E386 PolarHBondContact N-OE2 2.9Å
343	P	98.1	Very high	98.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	19.1	173.7	37.8	-36.5	0	0	0	113.9	L86 V301 L338 D340 L345 S346	L86-P343 HydrophobicContact CB-CB 3.85Å; L86-P343 HydrophobicContact CB-CG 4.17Å; L86-P343 HydrophobicContact CD2-CB 4.3Å; V301-P343 HydrophobicContact CG2-CB 4.19Å; L338-P343 HydrophobicContact CB-CG 3.92Å; L338-P343 HydrophobicContact CD2-CB 4.13Å; L338-P343 HydrophobicContact CD2-CG 3.96Å; D340-P343 WeakPolarHBondContact O-CD 3.33Å; P343-L345 PolarHBondContact O-N 3.04Å; P343-L345 VanDerWaalsContact O-N 3.12Å; P343-S346 VanDerWaalsContact O-CB 3.26Å; P343-S346 WeakPolarHBondContact O-CB 3.32Å; P343-S346 PolarHBondContact O-N 3.19Å; P343-S346 PolarHBondContact O-OG 2.97Å
344	A	98.4	Very high	98.3	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.5	-177.4	0	0	0	0	0	113.5	T341 H342 S346 I347 P348 M442 C446	T341-A344 WeakPolarHBondContact O-CA 3.24Å; T341-A344 WeakPolarHBondContact O-CB 3.41Å; T341-A344 PolarHBondContact O-N 2.93Å; H342-A344 VanDerWaalsContact C-N 3.35Å; A344-S346 PolarHBondContact O-N 3.39Å; A344-I347 PolarHBondContact O-N 3.2Å; A344-I347 VanDerWaalsContact O-N 3.1Å; A344-P348 WeakPolarHBondContact O-CD 3.42Å; A344-M442 HydrophobicContact CB-CB 4.19Å; A344-M442 HydrophobicContact CB-CE 3.71Å; A344-C446 WeakPolarHBondContact CB-SG 3.44Å
345	L	98.8	Very high	98.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-13.2	174.2	-72.4	172.6	0	0	0	113.6	L294 E297 Y298 V301 P343 I347 P348 E349 F393 L397 M442	L294-L345 HydrophobicContact CD1-CD1 3.91Å; E297-L345 HydrophobicContact CB-CD1 4.34Å; Y298-L345 HydrophobicContact CD2-CB 4.44Å; Y298-L345 HydrophobicContact CD2-CD1 4.06Å; Y298-L345 HydrophobicContact CG-CD1 4.39Å; V301-L345 HydrophobicContact CB-CB 4.44Å; V301-L345 HydrophobicContact CG1-CB 4.22Å; V301-L345 HydrophobicContact CG2-CB 4.21Å; P343-L345 PolarHBondContact O-N 3.04Å; P343-L345 VanDerWaalsContact O-N 3.12Å; L345-I347 PolarHBondContact O-N 3.33Å; L345-P348 HydrophobicContact CD2-CG 4.04Å; L345-P348 VanDerWaalsContact O-CD 3.26Å; L345-P348 WeakPolarHBondContact O-CD 3.31Å; L345-P348 WeakPolarHBondContact O-CG 3.22Å; L345-E349 VanDerWaalsContact O-CB 3.23Å; L345-E349 WeakPolarHBondContact O-CB 3.38Å; L345-E349 PolarHBondContact O-N 2.96Å; L345-F393 HydrophobicContact CD2-CE1 3.58Å; L345-F393 HydrophobicContact CD2-CZ 3.82Å; L345-L397 HydrophobicContact CD1-CD1 3.91Å; L345-L397 HydrophobicContact CD2-CD1 4.22Å; L345-M442 HydrophobicContact CD2-CE 4.31Å; L345-M442 HydrophobicContact CG-CE 4.35Å
346	S	98.9	Very high	98.2	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-56.8	-33.3	172.4	-55.6	0	0	0	0	112.3	L86 V301 P343 A344 L350	L86-S346 WeakPolarHBondContact CD2-OG 3.2Å; V301-S346 VanDerWaalsContact CG1-CA 3.5Å; V301-S346 WeakPolarHBondContact CG2-OG 3.26Å; P343-S346 VanDerWaalsContact O-CB 3.26Å; P343-S346 WeakPolarHBondContact O-CB 3.32Å; P343-S346 PolarHBondContact O-N 3.19Å; P343-S346 PolarHBondContact O-OG 2.97Å; A344-S346 PolarHBondContact O-N 3.39Å; S346-L350 WeakPolarHBondContact O-CB 3.27Å; S346-L350 PolarHBondContact O-N 3.19Å
347	I	98.9	Very high	98	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.3	-60.6	179.1	-65.9	159.1	0	0	0	110.7	L338 A344 L345 E349 L350 M351 W366 T369 C373 I407 L445	L338-I347 HydrophobicContact CD1-CD1 4.09Å; L338-I347 HydrophobicContact CD1-CG1 4.39Å; A344-I347 PolarHBondContact O-N 3.2Å; A344-I347 VanDerWaalsContact O-N 3.1Å; L345-I347 PolarHBondContact O-N 3.33Å; I347-E349 PolarHBondContact O-N 3.48Å; I347-L350 PolarHBondContact O-N 2.96Å; I347-M351 WeakPolarHBondContact O-CG 3.49Å; I347-M351 PolarHBondContact O-N 2.94Å; I347-M351 VanDerWaalsContact O-N 3.15Å; I347-W366 HydrophobicContact CG2-CH2 4.3Å; I347-W366 HydrophobicContact CG2-CZ3 3.83Å; I347-T369 HydrophobicContact CG2-CG2 4.08Å; I347-C373 HydrophobicContact CG1-CB 4.48Å; I347-I407 HydrophobicContact CG2-CD1 4.21Å; I347-L445 HydrophobicContact CG2-CD1 4.32Å
348	P	98.8	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.5	-29.7	179.2	26.5	-35.8	0	0	0	113.5	A344 L345 R352 H400 I403 I404 L445	A344-P348 WeakPolarHBondContact O-CD 3.42Å; L345-P348 HydrophobicContact CD2-CG 4.04Å; L345-P348 VanDerWaalsContact O-CD 3.26Å; L345-P348 WeakPolarHBondContact O-CD 3.31Å; L345-P348 WeakPolarHBondContact O-CG 3.22Å; P348-R352 WeakPolarHBondContact O-CB 3.38Å; P348-R352 PolarHBondContact O-N 3.35Å; P348-H400 HydrophobicContact CB-CB 4.41Å; P348-I403 HydrophobicContact CB-CB 4.4Å; P348-I403 HydrophobicContact CB-CG2 3.82Å; P348-I404 HydrophobicContact CB-CG1 4.13Å; P348-I404 HydrophobicContact CG-CD1 4.33Å; P348-I404 HydrophobicContact CG-CG1 4.27Å; P348-L445 HydrophobicContact CG-CD2 4.38Å
349	E	98.9	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-70.5	-39.6	176	177.3	60.7	-166.1	0	0	112.2	Y298 V301 L305 L345 I347 M351 R352 I353 H400	Y298-E349 HydrophobicContact CE2-CB 4.29Å; Y298-E349 HydrophobicContact CE2-CG 4.29Å; Y298-E349 WeakPolarHBondContact CE2-OE2 3.4Å; Y298-E349 PolarHBondContact OH-OE2 3.44Å; V301-E349 HydrophobicContact CG1-CB 3.81Å; V301-E349 HydrophobicContact CG1-CG 4.08Å; L305-E349 HydrophobicContact CD1-CB 3.7Å; L305-E349 HydrophobicContact CD1-CG 3.52Å; L345-E349 VanDerWaalsContact O-CB 3.23Å; L345-E349 WeakPolarHBondContact O-CB 3.38Å; L345-E349 PolarHBondContact O-N 2.96Å; I347-E349 PolarHBondContact O-N 3.48Å; E349-M351 VanDerWaalsContact C-N 3.32Å; E349-R352 WeakPolarHBondContact O-CB 3.48Å; E349-R352 PolarHBondContact O-N 3.49Å; E349-R352 IonicContact OE1-CZ 3.53Å; E349-R352 IonicContact OE1-NE 3.87Å; E349-R352 PolarHBondContact OE1-NE 3.5Å; E349-R352 IonicContact OE1-NH2 2.76Å; E349-R352 PolarHBondContact OE1-NH2 2.75Å; E349-R352 IonicContact OE2-CZ 2.76Å; E349-R352 IonicContact OE2-NE 3.02Å; E349-R352 PolarHBondContact OE2-NE 2.8Å; E349-R352 IonicContact OE2-NH2 3.75Å; E349-I353 HydrophobicContact CG-CD1 4.11Å; E349-I353 WeakPolarHBondContact O-CG1 3.39Å; E349-I353 PolarHBondContact O-N 3.21Å; E349-I353 WeakPolarHBondContact OE1-CD1 3.46Å; E349-I353 WeakPolarHBondContact OE1-CG1 3.39Å; E349-H400 IonicContact OE2-CD2 3.86Å; E349-H400 IonicContact OE2-CE1 2.95Å; E349-H400 PolarHBondContact OE2-CE1 3.38Å; E349-H400 IonicContact OE2-NE2 3.65Å; E349-H400 PolarHBondContact OE2-NE2 2.93Å
350	L	98.9	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-42.4	174.5	-178.2	56.8	0	0	0	110.6	L305 I309 F330 S346 I347 R352 I353 L354 T369	L305-L350 HydrophobicContact CD1-CB 4.11Å; L305-L350 HydrophobicContact CD2-CB 4.49Å; L305-L350 HydrophobicContact CD2-CD1 4.47Å; I309-L350 HydrophobicContact CD1-CD1 4.3Å; F330-L350 HydrophobicContact CE1-CD1 4.18Å; F330-L350 HydrophobicContact CE1-CD2 4.28Å; F330-L350 HydrophobicContact CZ-CD1 4.38Å; S346-L350 WeakPolarHBondContact O-CB 3.27Å; S346-L350 PolarHBondContact O-N 3.19Å; I347-L350 PolarHBondContact O-N 2.96Å; L350-R352 PolarHBondContact O-N 2.67Å; L350-I353 PolarHBondContact O-N 2.99Å; L350-L354 HydrophobicContact CD1-CD1 3.95Å; L350-L354 HydrophobicContact CD1-CG 4.06Å; L350-L354 HydrophobicContact CG-CD1 3.9Å; L350-L354 HydrophobicContact CG-CG 4.42Å; L350-L354 WeakPolarHBondContact O-CB 3.41Å; L350-L354 VanDerWaalsContact O-CG 3.25Å; L350-L354 WeakPolarHBondContact O-CG 3.27Å; L350-L354 PolarHBondContact O-N 2.75Å; L350-T369 HydrophobicContact CB-CG2 4.47Å; L350-T369 HydrophobicContact CD2-CG2 4.19Å
351	M	98.8	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-46.6	171.6	-74.6	-62.4	-68.5	0	0	112.1	I347 E349 I353 L354 V355 W362 A365 W366 T369 I403	I347-M351 WeakPolarHBondContact O-CG 3.49Å; I347-M351 PolarHBondContact O-N 2.94Å; I347-M351 VanDerWaalsContact O-N 3.15Å; E349-M351 VanDerWaalsContact C-N 3.32Å; M351-I353 PolarHBondContact O-N 2.68Å; M351-L354 PolarHBondContact O-N 3.37Å; M351-V355 HydrophobicContact CE-CG2 4.23Å; M351-V355 WeakPolarHBondContact O-CB 3.48Å; M351-V355 WeakPolarHBondContact O-CG2 3.26Å; M351-V355 PolarHBondContact O-N 3.36Å; M351-W362 HydrophobicContact CE-CD2 3.66Å; M351-W362 HydrophobicContact CE-CE3 3.8Å; M351-W362 HydrophobicContact CE-CG 4.25Å; M351-W362 HydrophobicContact CE-CH2 3.98Å; M351-W362 HydrophobicContact CE-CZ2 3.84Å; M351-W362 HydrophobicContact CE-CZ3 3.96Å; M351-A365 HydrophobicContact CE-CB 4.02Å; M351-A365 HydrophobicContact SD-CB 3.85Å; M351-W366 HydrophobicContact CE-CB 4.04Å; M351-W366 HydrophobicContact CE-CE3 4.37Å; M351-W366 HydrophobicContact CG-CE3 4.13Å; M351-W366 HydrophobicContact CG-CZ3 4.49Å; M351-W366 VanDerWaalsContact SD-CA 3.52Å; M351-W366 HydrophobicContact SD-CB 4.1Å; M351-W366 HydrophobicContact SD-CE3 3.84Å; M351-W366 PolarHBondContact SD-N 3.29Å; M351-W366 VanDerWaalsContact SD-N 3.42Å; M351-T369 HydrophobicContact CG-CG2 4.29Å; M351-T369 PolarHBondContact SD-OG1 2.82Å; M351-I403 HydrophobicContact CB-CG2 3.88Å; M351-I403 HydrophobicContact CG-CG2 4.47Å
352	R	98.8	Very high	97.6	Very high	32 Å²	32	25.2 Å²	25.2	12%	0.121	13%	0.126	C	C	.	.	H	α-helix	trans	-58.5	-47.7	178.3	-168.3	-161.2	66	74.7	-0.8	111.6	P348 E349 L350 D356 R399 I403	P348-R352 WeakPolarHBondContact O-CB 3.38Å; P348-R352 PolarHBondContact O-N 3.35Å; E349-R352 WeakPolarHBondContact O-CB 3.48Å; E349-R352 PolarHBondContact O-N 3.49Å; E349-R352 IonicContact OE1-CZ 3.53Å; E349-R352 IonicContact OE1-NE 3.87Å; E349-R352 PolarHBondContact OE1-NE 3.5Å; E349-R352 IonicContact OE1-NH2 2.76Å; E349-R352 PolarHBondContact OE1-NH2 2.75Å; E349-R352 IonicContact OE2-CZ 2.76Å; E349-R352 IonicContact OE2-NE 3.02Å; E349-R352 PolarHBondContact OE2-NE 2.8Å; E349-R352 IonicContact OE2-NH2 3.75Å; L350-R352 PolarHBondContact O-N 2.67Å; R352-D356 HydrophobicContact CG-CB 4.5Å; R352-D356 WeakPolarHBondContact CG-OD2 3.13Å; R352-D356 WeakPolarHBondContact O-CA 3.36Å; R352-D356 WeakPolarHBondContact O-CB 3.47Å; R352-D356 PolarHBondContact O-N 3.19Å; R352-R399 HydrophobicContact CG-CG 3.97Å; R352-I403 HydrophobicContact CB-CD1 3.58Å; R352-I403 HydrophobicContact CG-CD1 4.04Å
353	I	98.4	Very high	97.8	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.046	15%	0.146	C	C	.	.	I	π-helix	trans	-64.6	-47.7	-180	-63	166.4	0	0	0	110.2	L305 I309 E349 L350 M351 V355 V357 E358	L305-I353 HydrophobicContact CB-CD1 3.97Å; I309-I353 HydrophobicContact CD1-CB 4.11Å; I309-I353 HydrophobicContact CD1-CD1 3.89Å; I309-I353 HydrophobicContact CD1-CG2 3.48Å; I309-I353 VanDerWaalsContact CD1-CG2 3.48Å; E349-I353 HydrophobicContact CG-CD1 4.11Å; E349-I353 WeakPolarHBondContact O-CG1 3.39Å; E349-I353 PolarHBondContact O-N 3.21Å; E349-I353 WeakPolarHBondContact OE1-CD1 3.46Å; E349-I353 WeakPolarHBondContact OE1-CG1 3.39Å; L350-I353 PolarHBondContact O-N 2.99Å; M351-I353 PolarHBondContact O-N 2.68Å; I353-V355 PolarHBondContact O-N 3.44Å; I353-V357 HydrophobicContact CG2-CB 4.43Å; I353-V357 WeakPolarHBondContact O-CA 3.35Å; I353-V357 VanDerWaalsContact O-CB 3.27Å; I353-V357 WeakPolarHBondContact O-CB 3.33Å; I353-V357 PolarHBondContact O-N 2.97Å; I353-V357 VanDerWaalsContact O-N 3.14Å; I353-E358 HydrophobicContact CG2-CG 4.17Å; I353-E358 PolarHBondContact O-N 3.05Å
354	L	98.3	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-63	-45.4	-178.3	-68.7	173.3	0	0	0	112.2	F327 L350 M351 E358 K359 V360 A365 I368	F327-L354 HydrophobicContact CB-CD2 4.19Å; F327-L354 HydrophobicContact CD1-CD2 3.49Å; F327-L354 VanDerWaalsContact CD1-CD2 3.49Å; F327-L354 HydrophobicContact CD2-CD2 4.34Å; F327-L354 HydrophobicContact CE1-CD2 3.83Å; F327-L354 HydrophobicContact CG-CD2 3.76Å; F327-L354 HydrophobicContact CZ-CD2 4.39Å; L350-L354 HydrophobicContact CD1-CD1 3.95Å; L350-L354 HydrophobicContact CD1-CG 4.06Å; L350-L354 HydrophobicContact CG-CD1 3.9Å; L350-L354 HydrophobicContact CG-CG 4.42Å; L350-L354 WeakPolarHBondContact O-CB 3.41Å; L350-L354 VanDerWaalsContact O-CG 3.25Å; L350-L354 WeakPolarHBondContact O-CG 3.27Å; L350-L354 PolarHBondContact O-N 2.75Å; M351-L354 PolarHBondContact O-N 3.37Å; L354-E358 CarbonylContact O-C 3.37Å; L354-E358 WeakPolarHBondContact O-CB 3.42Å; L354-K359 PolarHBondContact O-N 3.17Å; L354-V360 HydrophobicContact CB-CB 4.25Å; L354-V360 HydrophobicContact CB-CG2 4.38Å; L354-V360 HydrophobicContact CD2-CG2 4.3Å; L354-V360 WeakPolarHBondContact O-CB 3.4Å; L354-V360 PolarHBondContact O-N 3.16Å; L354-A365 HydrophobicContact CB-CB 3.73Å; L354-A365 HydrophobicContact CD1-CB 4.11Å; L354-I368 HydrophobicContact CD1-CB 4.17Å; L354-I368 HydrophobicContact CD1-CG2 3.87Å
355	V	97.9	Very high	97.8	Very high	30 Å²	30	31.8 Å²	31.8	18%	0.182	16%	0.159	C	C	.	.	I	π-helix	trans	-80.5	-54.3	-176.2	177.3	0	0	0	0	111.7	M351 I353 K359 W362 A365	M351-V355 HydrophobicContact CE-CG2 4.23Å; M351-V355 WeakPolarHBondContact O-CB 3.48Å; M351-V355 WeakPolarHBondContact O-CG2 3.26Å; M351-V355 PolarHBondContact O-N 3.36Å; I353-V355 PolarHBondContact O-N 3.44Å; V355-K359 WeakPolarHBondContact O-CA 3.49Å; V355-K359 PolarHBondContact O-N 3.37Å; V355-W362 HydrophobicContact CG2-CE3 4.17Å; V355-A365 HydrophobicContact CG2-CB 3.67Å
356	D	97.2	Very high	97.8	Very high	17 Å²	17	33.8 Å²	33.8	9%	0.091	17%	0.167	C	C	.	.	I	π-helix	trans	-78.5	-36.5	-169.2	-56.9	-12.4	0	0	0	111.5	R352 K359 R399	R352-D356 HydrophobicContact CG-CB 4.5Å; R352-D356 WeakPolarHBondContact CG-OD2 3.13Å; R352-D356 WeakPolarHBondContact O-CA 3.36Å; R352-D356 WeakPolarHBondContact O-CB 3.47Å; R352-D356 PolarHBondContact O-N 3.19Å; D356-K359 VanDerWaalsContact O-CE 3.27Å; D356-K359 WeakPolarHBondContact O-CE 3.27Å; D356-K359 PolarHBondContact O-NZ 2.86Å; D356-R399 IonicContact OD1-CZ 2.95Å; D356-R399 IonicContact OD1-NE 3.26Å; D356-R399 PolarHBondContact OD1-NE 2.66Å; D356-R399 IonicContact OD1-NH2 2.76Å; D356-R399 PolarHBondContact OD1-NH2 3.12Å; D356-R399 IonicContact OD2-CZ 2.92Å; D356-R399 IonicContact OD2-NE 3.54Å; D356-R399 PolarHBondContact OD2-NE 3.03Å; D356-R399 IonicContact OD2-NH2 3.71Å
357	V	95.4	Very high	97.7	Very high	82 Å²	82	37.3 Å²	37.3	50%	0.497	18%	0.183	S	C	.	.	I	π-helix	trans	-98.9	-54.6	-174.6	-174.6	0	0	0	0	111.6	I353 K359	I353-V357 HydrophobicContact CG2-CB 4.43Å; I353-V357 WeakPolarHBondContact O-CA 3.35Å; I353-V357 VanDerWaalsContact O-CB 3.27Å; I353-V357 WeakPolarHBondContact O-CB 3.33Å; I353-V357 PolarHBondContact O-N 2.97Å; I353-V357 VanDerWaalsContact O-N 3.14Å; V357-K359 VanDerWaalsContact C-N 3.29Å; V357-K359 PolarHBondContact O-N 3.39Å
358	E	95.3	Very high	97.7	Very high	53 Å²	53	37.5 Å²	37.5	25%	0.248	18%	0.184	C	C	.	.	S	Bend	trans	-84.4	-4.3	-175.5	-53.5	-67.3	165.9	0	0	113.2	K313 F327 I353 L354 V360	K313-E358 WeakPolarHBondContact CE-OE1 3.38Å; K313-E358 IonicContact NZ-OE1 2.93Å; K313-E358 PolarHBondContact NZ-OE1 3.46Å; K313-E358 IonicContact NZ-OE2 3.69Å; K313-E358 PolarHBondContact NZ-OE2 3.25Å; F327-E358 HydrophobicContact CD2-CB 4.41Å; F327-E358 HydrophobicContact CE2-CB 3.84Å; F327-E358 HydrophobicContact CE2-CG 3.57Å; F327-E358 WeakPolarHBondContact CE2-OE2 3.35Å; F327-E358 HydrophobicContact CZ-CB 4.31Å; F327-E358 HydrophobicContact CZ-CG 3.57Å; I353-E358 HydrophobicContact CG2-CG 4.17Å; I353-E358 PolarHBondContact O-N 3.05Å; L354-E358 CarbonylContact O-C 3.37Å; L354-E358 WeakPolarHBondContact O-CB 3.42Å; E358-V360 HydrophobicContact CB-CG2 4.09Å; E358-V360 PolarHBondContact O-N 3.47Å
359	K	95.1	Very high	97.7	Very high	124 Å²	124	37.5 Å²	37.5	54%	0.539	18%	0.184	S	C	.	.			trans	57.1	31.5	176.7	-51.7	-55.5	-173.7	-177.6	0	113.8	L354 V355 D356 V357	L354-K359 PolarHBondContact O-N 3.17Å; V355-K359 WeakPolarHBondContact O-CA 3.49Å; V355-K359 PolarHBondContact O-N 3.37Å; D356-K359 VanDerWaalsContact O-CE 3.27Å; D356-K359 WeakPolarHBondContact O-CE 3.27Å; D356-K359 PolarHBondContact O-NZ 2.86Å; V357-K359 VanDerWaalsContact C-N 3.29Å; V357-K359 PolarHBondContact O-N 3.39Å
360	V	96.3	Very high	97.7	Very high	26 Å²	26	40.1 Å²	40.1	16%	0.158	20%	0.196	C	C	.	.			trans	-75	135.4	171.2	-175.7	0	0	0	0	108.6	F327 L354 E358 K364 A365 I368	F327-V360 HydrophobicContact CD2-CG2 4.46Å; L354-V360 HydrophobicContact CB-CB 4.25Å; L354-V360 HydrophobicContact CB-CG2 4.38Å; L354-V360 HydrophobicContact CD2-CG2 4.3Å; L354-V360 WeakPolarHBondContact O-CB 3.4Å; L354-V360 PolarHBondContact O-N 3.16Å; E358-V360 HydrophobicContact CB-CG2 4.09Å; E358-V360 PolarHBondContact O-N 3.47Å; V360-K364 HydrophobicContact CG1-CB 3.87Å; V360-K364 HydrophobicContact CG1-CG 3.96Å; V360-A365 HydrophobicContact CB-CB 4.35Å; V360-A365 HydrophobicContact CG1-CB 4.06Å; V360-I368 HydrophobicContact CG1-CD1 4.44Å
361	D	96.4	Very high	97.7	Very high	104 Å²	104	45.3 Å²	45.3	56%	0.556	22%	0.218	S	C	*	.			trans	-55.4	146.7	173.7	175.5	-98.4	0	0	0	111.6	D363 K364 A365	D361-D363 PolarHBondContact O-N 2.85Å; D361-D363 PolarHBondContact OD1-N 3.1Å; D361-K364 PolarHBondContact O-N 3.39Å; D361-A365 WeakPolarHBondContact O-CB 3.42Å; D361-A365 PolarHBondContact O-N 3.07Å
362	W	97.6	Very high	97.7	Very high	34 Å²	34	45.3 Å²	45.3	13%	0.129	22%	0.218	C	C	.	.	H	α-helix	trans	-54.7	-47.4	-175.1	179.1	-80.8	0	0	0	113	M351 V355 K364 A365 W366 I403 A406 I407 R410	M351-W362 HydrophobicContact CE-CD2 3.66Å; M351-W362 HydrophobicContact CE-CE3 3.8Å; M351-W362 HydrophobicContact CE-CG 4.25Å; M351-W362 HydrophobicContact CE-CH2 3.98Å; M351-W362 HydrophobicContact CE-CZ2 3.84Å; M351-W362 HydrophobicContact CE-CZ3 3.96Å; V355-W362 HydrophobicContact CG2-CE3 4.17Å; W362-K364 VanDerWaalsContact C-N 3.29Å; W362-K364 PolarHBondContact O-N 2.88Å; W362-A365 PolarHBondContact O-N 3.21Å; W362-W366 WeakPolarHBondContact O-CB 3.34Å; W362-W366 PolarHBondContact O-N 3.5Å; W362-I403 HydrophobicContact CH2-CB 4.36Å; W362-I403 HydrophobicContact CH2-CG1 4.45Å; W362-I403 HydrophobicContact CH2-CG2 3.94Å; W362-I403 HydrophobicContact CZ3-CG1 4.3Å; W362-I403 HydrophobicContact CZ3-CG2 4.46Å; W362-A406 HydrophobicContact CH2-CB 3.52Å; W362-A406 HydrophobicContact CZ2-CB 3.66Å; W362-A406 HydrophobicContact CZ3-CB 4.34Å; W362-I407 HydrophobicContact CZ2-CG1 4.13Å; W362-R410 VanDerWaalsContact NE1-NE 3.17Å
363	D	98	Very high	97.7	Very high	95 Å²	95	43.8 Å²	43.8	51%	0.508	21%	0.212	S	C	.	.	H	α-helix	trans	-68.4	-36.8	-174.7	-68.1	-28.7	0	0	0	110.3	D361 W366 E367 R410	D361-D363 PolarHBondContact O-N 2.85Å; D361-D363 PolarHBondContact OD1-N 3.1Å; D363-W366 PolarHBondContact O-N 3.05Å; D363-E367 PolarHBondContact O-N 2.92Å; D363-R410 IonicContact OD1-CZ 2.73Å; D363-R410 IonicContact OD1-NH1 2.78Å; D363-R410 PolarHBondContact OD1-NH1 3.06Å
364	K	98.2	Very high	97.7	Very high	62 Å²	62	43.4 Å²	43.4	27%	0.27	21%	0.21	S	C	.	.	H	α-helix	trans	-70.1	-42	175.2	-169.7	59.7	176.6	179.2	0	112.5	V360 D361 W362 W366 E367 I368	V360-K364 HydrophobicContact CG1-CB 3.87Å; V360-K364 HydrophobicContact CG1-CG 3.96Å; D361-K364 PolarHBondContact O-N 3.39Å; W362-K364 VanDerWaalsContact C-N 3.29Å; W362-K364 PolarHBondContact O-N 2.88Å; K364-W366 VanDerWaalsContact C-N 3.26Å; K364-W366 PolarHBondContact O-N 3.49Å; K364-E367 WeakPolarHBondContact CD-OE2 3.43Å; K364-E367 IonicContact NZ-OE1 3.05Å; K364-E367 IonicContact NZ-OE2 3.3Å; K364-E367 PolarHBondContact NZ-OE2 2.83Å; K364-E367 PolarHBondContact O-N 3.49Å; K364-I368 HydrophobicContact CG-CD1 4.16Å; K364-I368 WeakPolarHBondContact O-CD1 3.19Å; K364-I368 WeakPolarHBondContact O-CG1 3.39Å; K364-I368 PolarHBondContact O-N 3.15Å
365	A	98.6	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-38.6	175.1	0	0	0	0	0	111.3	M351 L354 V355 V360 D361 W362 I368 T369	M351-A365 HydrophobicContact CE-CB 4.02Å; M351-A365 HydrophobicContact SD-CB 3.85Å; L354-A365 HydrophobicContact CB-CB 3.73Å; L354-A365 HydrophobicContact CD1-CB 4.11Å; V355-A365 HydrophobicContact CG2-CB 3.67Å; V360-A365 HydrophobicContact CB-CB 4.35Å; V360-A365 HydrophobicContact CG1-CB 4.06Å; D361-A365 WeakPolarHBondContact O-CB 3.42Å; D361-A365 PolarHBondContact O-N 3.07Å; W362-A365 PolarHBondContact O-N 3.21Å; A365-I368 PolarHBondContact O-N 3.29Å; A365-T369 WeakPolarHBondContact O-CB 3.49Å; A365-T369 PolarHBondContact O-N 3.18Å; A365-T369 PolarHBondContact O-OG1 3.19Å
366	W	98.7	Very high	97.8	Very high	41 Å²	41	42 Å²	42	16%	0.155	20%	0.202	C	C	.	.	H	α-helix	trans	-68.3	-42.3	177.1	-175.2	-125.3	0	0	0	112.5	I347 M351 W362 D363 K364 I368 T369 K370 I407 I448	I347-W366 HydrophobicContact CG2-CH2 4.3Å; I347-W366 HydrophobicContact CG2-CZ3 3.83Å; M351-W366 HydrophobicContact CE-CB 4.04Å; M351-W366 HydrophobicContact CE-CE3 4.37Å; M351-W366 HydrophobicContact CG-CE3 4.13Å; M351-W366 HydrophobicContact CG-CZ3 4.49Å; M351-W366 VanDerWaalsContact SD-CA 3.52Å; M351-W366 HydrophobicContact SD-CB 4.1Å; M351-W366 HydrophobicContact SD-CE3 3.84Å; M351-W366 PolarHBondContact SD-N 3.29Å; M351-W366 VanDerWaalsContact SD-N 3.42Å; W362-W366 WeakPolarHBondContact O-CB 3.34Å; W362-W366 PolarHBondContact O-N 3.5Å; D363-W366 PolarHBondContact O-N 3.05Å; K364-W366 VanDerWaalsContact C-N 3.26Å; K364-W366 PolarHBondContact O-N 3.49Å; W366-I368 VanDerWaalsContact C-N 3.35Å; W366-I368 PolarHBondContact O-N 3.07Å; W366-T369 HydrophobicContact CE3-CG2 4.44Å; W366-T369 HydrophobicContact CZ3-CG2 4.4Å; W366-T369 PolarHBondContact O-N 3.05Å; W366-K370 HydrophobicContact CD2-CD 4.41Å; W366-K370 HydrophobicContact CD2-CG 4.23Å; W366-K370 VanDerWaalsContact CE2-CE 3.48Å; W366-K370 HydrophobicContact CH2-CG 4.46Å; W366-K370 HydrophobicContact CZ2-CD 4.06Å; W366-K370 HydrophobicContact CZ2-CG 4.04Å; W366-K370 WeakPolarHBondContact O-CB 3.48Å; W366-K370 PolarHBondContact O-N 2.83Å; W366-I407 HydrophobicContact CE3-CD1 4.5Å; W366-I407 HydrophobicContact CE3-CG1 4.4Å; W366-I407 HydrophobicContact CH2-CD1 4.13Å; W366-I407 HydrophobicContact CH2-CG1 4.08Å; W366-I407 HydrophobicContact CH2-CG2 3.72Å; W366-I407 HydrophobicContact CZ2-CG2 4.17Å; W366-I407 HydrophobicContact CZ3-CD1 3.72Å; W366-I407 HydrophobicContact CZ3-CG1 3.88Å; W366-I407 HydrophobicContact CZ3-CG2 4.37Å; W366-I448 HydrophobicContact CH2-CG2 4.09Å; W366-I448 HydrophobicContact CZ2-CG2 3.85Å
367	E	98.6	Very high	97.8	Very high	75 Å²	75	41.1 Å²	41.1	35%	0.35	20%	0.197	S	C	.	.	H	α-helix	trans	-57.2	-48.1	173.2	-169.9	-157.5	155.9	0	0	111.3	D363 K364 K371	D363-E367 PolarHBondContact O-N 2.92Å; K364-E367 WeakPolarHBondContact CD-OE2 3.43Å; K364-E367 IonicContact NZ-OE1 3.05Å; K364-E367 IonicContact NZ-OE2 3.3Å; K364-E367 PolarHBondContact NZ-OE2 2.83Å; K364-E367 PolarHBondContact O-N 3.49Å; E367-K371 HydrophobicContact CG-CD 4.19Å; E367-K371 WeakPolarHBondContact O-CB 3.32Å; E367-K371 WeakPolarHBondContact O-CG 3.5Å; E367-K371 PolarHBondContact O-N 3.27Å; E367-K371 WeakPolarHBondContact OE1-CE 3.43Å; E367-K371 IonicContact OE1-NZ 2.65Å; E367-K371 PolarHBondContact OE1-NZ 2.8Å
368	I	98.8	Very high	97.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-46.5	178	-69.2	161.7	0	0	0	110.5	F327 F330 P331 L354 V360 K364 A365 W366 K371 T372	F327-I368 HydrophobicContact CB-CD1 3.88Å; F330-I368 HydrophobicContact CB-CG2 4.06Å; F330-I368 HydrophobicContact CD1-CG2 3.76Å; F330-I368 HydrophobicContact CG-CG2 4.27Å; P331-I368 HydrophobicContact CG-CB 4.47Å; P331-I368 HydrophobicContact CG-CG2 4.18Å; L354-I368 HydrophobicContact CD1-CB 4.17Å; L354-I368 HydrophobicContact CD1-CG2 3.87Å; V360-I368 HydrophobicContact CG1-CD1 4.44Å; K364-I368 HydrophobicContact CG-CD1 4.16Å; K364-I368 WeakPolarHBondContact O-CD1 3.19Å; K364-I368 WeakPolarHBondContact O-CG1 3.39Å; K364-I368 PolarHBondContact O-N 3.15Å; A365-I368 PolarHBondContact O-N 3.29Å; W366-I368 VanDerWaalsContact C-N 3.35Å; W366-I368 PolarHBondContact O-N 3.07Å; I368-K371 PolarHBondContact O-N 2.83Å; I368-T372 WeakPolarHBondContact O-CB 3.44Å; I368-T372 PolarHBondContact O-N 2.95Å; I368-T372 PolarHBondContact O-OG1 3.11Å
369	T	98.8	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-52	-179.1	-62.4	0	0	0	0	111.1	I347 L350 M351 A365 W366 K371 T372 C373	I347-T369 HydrophobicContact CG2-CG2 4.08Å; L350-T369 HydrophobicContact CB-CG2 4.47Å; L350-T369 HydrophobicContact CD2-CG2 4.19Å; M351-T369 HydrophobicContact CG-CG2 4.29Å; M351-T369 PolarHBondContact SD-OG1 2.82Å; A365-T369 WeakPolarHBondContact O-CB 3.49Å; A365-T369 PolarHBondContact O-N 3.18Å; A365-T369 PolarHBondContact O-OG1 3.19Å; W366-T369 HydrophobicContact CE3-CG2 4.44Å; W366-T369 HydrophobicContact CZ3-CG2 4.4Å; W366-T369 PolarHBondContact O-N 3.05Å; T369-K371 PolarHBondContact O-N 2.98Å; T369-T372 PolarHBondContact O-N 2.71Å; T369-T372 VanDerWaalsContact O-N 3.13Å; T369-C373 PolarHBondContact O-N 3.2Å
370	K	98.3	Very high	96.8	Very high	55 Å²	55	32.3 Å²	32.3	24%	0.239	16%	0.155	C	C	.	.	H	α-helix	trans	-56.8	-46.9	177.7	-84.9	-174.5	156	-172.1	0	112.2	W366 T372 I448 H451 E476	W366-K370 HydrophobicContact CD2-CD 4.41Å; W366-K370 HydrophobicContact CD2-CG 4.23Å; W366-K370 VanDerWaalsContact CE2-CE 3.48Å; W366-K370 HydrophobicContact CH2-CG 4.46Å; W366-K370 HydrophobicContact CZ2-CD 4.06Å; W366-K370 HydrophobicContact CZ2-CG 4.04Å; W366-K370 WeakPolarHBondContact O-CB 3.48Å; W366-K370 PolarHBondContact O-N 2.83Å; K370-T372 VanDerWaalsContact C-N 3.25Å; K370-T372 PolarHBondContact O-N 2.6Å; K370-I448 WeakPolarHBondContact CE-O 3.28Å; K370-H451 VanDerWaalsContact O-CB 3.3Å; K370-H451 WeakPolarHBondContact O-CB 3.22Å; K370-H451 PolarHBondContact O-N 2.79Å; K370-H451 VanDerWaalsContact O-N 3.08Å; K370-H451 PolarHBondContact O-ND1 3.12Å; K370-H451 VanDerWaalsContact O-ND1 3.11Å; K370-E476 IonicContact NZ-OE1 2.64Å
371	K	98.8	Very high	96.2	Very high	108 Å²	108	32 Å²	32	47%	0.47	15%	0.153	S	C	.	.	H	α-helix	trans	-68.7	-21.3	-179.8	-72.7	179.4	174.6	179.8	0	113.8	P331 E367 I368 T369 H451	P331-K371 HydrophobicContact CB-CB 3.67Å; P331-K371 HydrophobicContact CG-CB 3.81Å; E367-K371 HydrophobicContact CG-CD 4.19Å; E367-K371 WeakPolarHBondContact O-CB 3.32Å; E367-K371 WeakPolarHBondContact O-CG 3.5Å; E367-K371 PolarHBondContact O-N 3.27Å; E367-K371 WeakPolarHBondContact OE1-CE 3.43Å; E367-K371 IonicContact OE1-NZ 2.65Å; E367-K371 PolarHBondContact OE1-NZ 2.8Å; I368-K371 PolarHBondContact O-N 2.83Å; T369-K371 PolarHBondContact O-N 2.98Å; K371-H451 PolarHBondContact O-ND1 2.85Å
372	T	98.8	Very high	95.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-89.6	-37.2	-178.9	-56.5	0	0	0	0	112.4	F330 V334 I336 I368 T369 K370	F330-T372 HydrophobicContact CD1-CG2 4.25Å; F330-T372 HydrophobicContact CE1-CG2 3.87Å; V334-T372 HydrophobicContact CB-CG2 4.22Å; V334-T372 HydrophobicContact CG1-CG2 3.69Å; I336-T372 HydrophobicContact CB-CG2 4.27Å; I336-T372 HydrophobicContact CD1-CG2 3.87Å; I336-T372 HydrophobicContact CG1-CG2 3.81Å; I336-T372 PolarHBondContact N-O 3.31Å; I368-T372 WeakPolarHBondContact O-CB 3.44Å; I368-T372 PolarHBondContact O-N 2.95Å; I368-T372 PolarHBondContact O-OG1 3.11Å; T369-T372 PolarHBondContact O-N 2.71Å; T369-T372 VanDerWaalsContact O-N 3.13Å; K370-T372 VanDerWaalsContact C-N 3.25Å; K370-T372 PolarHBondContact O-N 2.6Å
373	C	98.9	Very high	94.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.7	-172.6	-67.4	0	0	0	0	112.8	I336 I347 T369 S450 H451	I336-C373 WeakPolarHBondContact O-CA 3.35Å; I347-C373 HydrophobicContact CG1-CB 4.48Å; T369-C373 PolarHBondContact O-N 3.2Å; C373-S450 VanDerWaalsContact O-CA 3.29Å; C373-S450 WeakPolarHBondContact O-CA 3.21Å; C373-S450 WeakPolarHBondContact O-CB 3.45Å; C373-H451 PolarHBondContact O-CE1 3.49Å; C373-H451 PolarHBondContact O-N 3.32Å; C373-H451 VanDerWaalsContact O-N 3.09Å; C373-H451 PolarHBondContact O-ND1 3.26Å
374	A	98.9	Very high	93.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.7	169.3	0	0	0	0	0	110.4	I336 L338 A452 I825	I336-A374 PolarHBondContact O-N 3.5Å; L338-A374 PolarHBondContact N-O 3.45Å; A374-A452 HydrophobicContact CB-CB 4.2Å; A374-I825 HydrophobicContact CB-CG2 3.47Å; A374-I825 VanDerWaalsContact CB-CG2 3.47Å
375	Y	98.8	Very high	92.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.7	-172.4	164.8	-127.9	0	0	0	112.3	T341 N377 C446 V447 A452 V453 N454 F469	T341-Y375 HydrophobicContact CG2-CE2 4.07Å; Y375-N377 HydrophobicContact CE1-CB 4.03Å; Y375-N377 HydrophobicContact CE2-CB 4.4Å; Y375-N377 WeakPolarHBondContact OH-CB 3.4Å; Y375-N377 PolarHBondContact OH-ND2 3.41Å; Y375-C446 HydrophobicContact CD1-CB 3.62Å; Y375-C446 HydrophobicContact CD2-CB 3.81Å; Y375-C446 HydrophobicContact CE1-CB 3.98Å; Y375-C446 HydrophobicContact CE2-CB 4.16Å; Y375-C446 HydrophobicContact CG-CB 3.54Å; Y375-V447 HydrophobicContact CD1-CG2 4.12Å; Y375-V447 HydrophobicContact CE1-CG2 4.03Å; Y375-A452 PolarHBondContact N-O 3.28Å; Y375-V453 HydrophobicContact CD1-CG1 3.8Å; Y375-V453 HydrophobicContact CD1-CG2 4.19Å; Y375-V453 HydrophobicContact CE1-CG1 4.19Å; Y375-V453 CarbonylContact O-C 3.5Å; Y375-V453 VanDerWaalsContact O-CA 3.31Å; Y375-V453 WeakPolarHBondContact O-CA 3.49Å; Y375-N454 PolarHBondContact O-N 3.01Å; Y375-N454 PolarHBondContact O-OD1 3.46Å; Y375-F469 HydrophobicContact CE1-CE2 4.13Å; Y375-F469 HydrophobicContact CE1-CZ 4.41Å
376	T	98.6	Very high	92.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.8	171.3	-56.6	0	0	0	0	110.5	Q337 L338 D340 H378 N454 V456 Y821	Q337-T376 PolarHBondContact NE2-OG1 2.77Å; L338-T376 PolarHBondContact O-N 2.97Å; D340-T376 VanDerWaalsContact CA-O 3.27Å; D340-T376 WeakPolarHBondContact CA-O 3.15Å; D340-T376 PolarHBondContact N-O 3.43Å; D340-T376 VanDerWaalsContact N-O 3.07Å; T376-H378 VanDerWaalsContact CG2-NE2 3.29Å; T376-H378 WeakPolarHBondContact CG2-NE2 3.38Å; T376-N454 WeakPolarHBondContact CG2-ND2 3.39Å; T376-N454 PolarHBondContact OG1-OD1 2.76Å; T376-V456 HydrophobicContact CG2-CG1 3.61Å; T376-Y821 PolarHBondContact OG1-OH 2.98Å
377	N	96.6	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.			trans	-92.3	135.3	174.5	174.2	-101.8	0	0	0	111	Y375 T379 N454 H460 F469	Y375-N377 HydrophobicContact CE1-CB 4.03Å; Y375-N377 HydrophobicContact CE2-CB 4.4Å; Y375-N377 WeakPolarHBondContact OH-CB 3.4Å; Y375-N377 PolarHBondContact OH-ND2 3.41Å; N377-T379 PolarHBondContact ND2-O 3.11Å; N377-T379 VanDerWaalsContact ND2-O 3.09Å; N377-T379 PolarHBondContact OD1-O 3.02Å; N377-N454 PolarHBondContact N-O 3.03Å; N377-H460 PolarHBondContact O-CE1 3.35Å; N377-H460 VanDerWaalsContact O-CE1 3.32Å; N377-H460 PolarHBondContact OD1-CE1 3Å; N377-H460 PolarHBondContact OD1-NE2 3.36Å; N377-F469 HydrophobicContact CB-CE2 4.49Å
378	H	93	Very high	92	Very high	31 Å²	31	31 Å²	31	14%	0.144	16%	0.157	C	C	.	.			trans	-116.6	3.8	-178.2	-72.2	-87.4	0	0	0	114.5	L137 L140 N339 T376 V456 A674	L137-H378 HydrophobicContact CD1-CB 4.47Å; L140-H378 VanDerWaalsContact CD2-CE1 3.49Å; L140-H378 WeakPolarHBondContact CD2-CE1 3.44Å; N339-H378 PolarHBondContact OD1-NE2 2.92Å; T376-H378 VanDerWaalsContact CG2-NE2 3.29Å; T376-H378 WeakPolarHBondContact CG2-NE2 3.38Å; H378-V456 VanDerWaalsContact CE1-CG1 3.5Å; H378-V456 WeakPolarHBondContact CE1-CG1 3.45Å; H378-A674 VanDerWaalsContact O-CB 3.23Å; H378-A674 WeakPolarHBondContact O-CB 3.28Å
379	T	88	Confident	91.9	Very high	19 Å²	19	31.9 Å²	31.9	12%	0.117	16%	0.163	C	C	.	.			trans	-152.8	143.5	-174.5	-171.3	0	0	0	0	112.7	N377 L381 A384 L385	N377-T379 PolarHBondContact ND2-O 3.11Å; N377-T379 VanDerWaalsContact ND2-O 3.09Å; N377-T379 PolarHBondContact OD1-O 3.02Å; T379-L381 PolarHBondContact OG1-N 3.09Å; T379-L381 VanDerWaalsContact OG1-N 3.16Å; T379-A384 HydrophobicContact CG2-CB 3.71Å; T379-L385 HydrophobicContact CG2-CD2 4Å
380	V	84.6	Confident	91.9	Very high	23 Å²	23	32.4 Å²	32.4	14%	0.139	17%	0.166	C	C	.	.			trans	-106.3	-8.1	170.5	-62.4	0	0	0	0	112.2	P382 I463 V464 V468 G671	V380-P382 WeakPolarHBondContact O-CD 3.44Å; V380-I463 HydrophobicContact CB-CG2 4.35Å; V380-I463 HydrophobicContact CG1-CB 4.46Å; V380-I463 HydrophobicContact CG1-CG2 3.74Å; V380-V464 HydrophobicContact CG1-CG2 4.44Å; V380-V468 HydrophobicContact CB-CG2 4.15Å; V380-V468 HydrophobicContact CG1-CG2 4.11Å; V380-G671 VanDerWaalsContact CG2-O 3.28Å; V380-G671 WeakPolarHBondContact CG2-O 3.34Å
381	L	82.9	Confident	91.8	Very high	19 Å²	19	33 Å²	33	10%	0.099	18%	0.177	C	C	.	.			trans	-75.3	122.1	-177.9	-68.1	178.5	0	0	0	110	T379 E383 A384 Y574	T379-L381 PolarHBondContact OG1-N 3.09Å; T379-L381 VanDerWaalsContact OG1-N 3.16Å; L381-E383 HydrophobicContact CB-CG 4.29Å; L381-E383 PolarHBondContact O-N 3.01Å; L381-A384 HydrophobicContact CB-CB 4.32Å; L381-A384 PolarHBondContact O-N 3.19Å; L381-Y574 HydrophobicContact CD1-CD1 3.97Å; L381-Y574 HydrophobicContact CD1-CE1 4.24Å; L381-Y574 HydrophobicContact CD1-CG 4.46Å
382	P	76.8	Confident	91.6	Very high	82 Å²	82	28 Å²	28	53%	0.532	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-57.1	-35	-178	-26.2	34.5	0	0	0	113.7	V380 A384 L385	V380-P382 WeakPolarHBondContact O-CD 3.44Å; P382-A384 PolarHBondContact O-N 2.68Å; P382-L385 PolarHBondContact O-N 2.84Å
383	E	73.8	Confident	91.6	Very high	92 Å²	92	28 Å²	28	43%	0.43	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-66.8	-16.8	178.4	62.7	-97.9	-132.7	0	0	114.4	L381 R771	L381-E383 HydrophobicContact CB-CG 4.29Å; L381-E383 PolarHBondContact O-N 3.01Å; E383-R771 VanDerWaalsContact CD-NH2 3.31Å; E383-R771 IonicContact OE1-CZ 2.88Å; E383-R771 VanDerWaalsContact OE1-CZ 3.27Å; E383-R771 IonicContact OE1-NH1 3.5Å; E383-R771 PolarHBondContact OE1-NH1 2.65Å; E383-R771 IonicContact OE1-NH2 3.33Å; E383-R771 PolarHBondContact OE1-NH2 3.23Å; E383-R771 IonicContact OE2-CZ 3.67Å; E383-R771 IonicContact OE2-NH1 3.09Å; E383-R771 IonicContact OE2-NH2 3.58Å; E383-R771 PolarHBondContact OE2-NH2 2.81Å
384	A	80.8	Confident	91.5	Very high	48 Å²	48	34 Å²	34	40%	0.397	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-97.8	-5.9	-179.7	0	0	0	0	0	112.9	T379 L381 P382	T379-A384 HydrophobicContact CG2-CB 3.71Å; L381-A384 HydrophobicContact CB-CB 4.32Å; L381-A384 PolarHBondContact O-N 3.19Å; P382-A384 PolarHBondContact O-N 2.68Å
385	L	85.7	Confident	91.4	Very high	21 Å²	21	39.2 Å²	39.2	11%	0.11	21%	0.206	C	C	.	.	S	Bend	trans	-84.5	125.1	176.7	-64.1	175.9	0	0	0	110.4	T379 P382 R387 A443 V468	T379-L385 HydrophobicContact CG2-CD2 4Å; P382-L385 PolarHBondContact O-N 2.84Å; L385-R387 PolarHBondContact O-N 3.02Å; L385-A443 HydrophobicContact CD2-CB 4.2Å; L385-V468 HydrophobicContact CD1-CG1 4.47Å
386	E	92.4	Very high	91.3	Very high	29 Å²	29	39.3 Å²	39.3	14%	0.136	21%	0.206	C	C	.	.			trans	-70.9	120.7	-175.1	-65.9	-176.2	125	0	0	112.3	T341 H342 M442	T341-E386 WeakPolarHBondContact CB-OE2 3.45Å; T341-E386 WeakPolarHBondContact OG1-CG 3.49Å; T341-E386 PolarHBondContact OG1-OE2 3.35Å; H342-E386 WeakPolarHBondContact CA-OE2 3.49Å; H342-E386 IonicContact CD2-OE1 3.7Å; H342-E386 PolarHBondContact CD2-OE1 3.41Å; H342-E386 IonicContact CD2-OE2 2.71Å; H342-E386 PolarHBondContact CD2-OE2 2.86Å; H342-E386 PolarHBondContact N-OE2 2.9Å; E386-M442 HydrophobicContact CB-CB 4.17Å; E386-M442 HydrophobicContact CB-CG 3.99Å; E386-M442 WeakPolarHBondContact O-CG 3.41Å; E386-M442 PolarHBondContact O-N 3.21Å; E386-M442 VanDerWaalsContact O-N 3.09Å
387	R	93.8	Very high	91.3	Very high	99 Å²	99	39.3 Å²	39.3	37%	0.374	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	93.4	179.2	-63.5	175.7	-174.4	-138.7	1.4	110.4	L385 E433 R439 I440	L385-R387 PolarHBondContact O-N 3.02Å; R387-E433 WeakPolarHBondContact CD-OE2 3.36Å; R387-E433 IonicContact CZ-OE1 2.77Å; R387-E433 IonicContact CZ-OE2 2.78Å; R387-E433 IonicContact NE-OE1 3.73Å; R387-E433 IonicContact NE-OE2 3.3Å; R387-E433 IonicContact NH1-OE1 3.94Å; R387-E433 PolarHBondContact NH1-OE1 2.94Å; R387-E433 IonicContact NH1-OE2 3.45Å; R387-E433 PolarHBondContact NH1-OE2 2.86Å; R387-E433 IonicContact NH2-OE1 2.97Å; R387-R439 HydrophobicContact CB-CB 4.33Å; R387-R439 PolarHBondContact O-NH1 3.23Å; R387-I440 WeakPolarHBondContact CA-O 3.18Å
388	W	95.8	Very high	91.4	Very high	20 Å²	20	40.2 Å²	40.2	8%	0.076	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.9	-175.1	-69.3	111.9	0	0	0	112	K290 R293 L294 E297 V390 M392 F393 R439 I440	K290-W388 HydrophobicContact CB-CZ3 3.97Å; K290-W388 HydrophobicContact CG-CZ3 4.5Å; K290-W388 WeakPolarHBondContact O-CH2 3.43Å; K290-W388 VanDerWaalsContact O-CZ3 3.3Å; K290-W388 WeakPolarHBondContact O-CZ3 3.32Å; R293-W388 HydrophobicContact CB-CH2 3.93Å; R293-W388 HydrophobicContact CG-CH2 3.71Å; R293-W388 HydrophobicContact CG-CZ2 3.95Å; L294-W388 HydrophobicContact CB-CE3 4.45Å; L294-W388 HydrophobicContact CB-CH2 4.26Å; L294-W388 HydrophobicContact CB-CZ2 4.42Å; L294-W388 HydrophobicContact CB-CZ3 4.25Å; L294-W388 HydrophobicContact CD1-CD2 4.27Å; L294-W388 HydrophobicContact CD1-CG 4.43Å; E297-W388 PolarHBondContact OE2-NE1 3.33Å; W388-V390 PolarHBondContact O-N 3.26Å; W388-M392 HydrophobicContact CE3-SD 3.76Å; W388-M392 HydrophobicContact CZ3-SD 3.96Å; W388-F393 HydrophobicContact CB-CD2 3.96Å; W388-F393 HydrophobicContact CB-CE2 3.46Å; W388-F393 VanDerWaalsContact CB-CE2 3.46Å; W388-F393 AromaticContact CD1-CE2 3.98Å; W388-F393 AromaticContact CG-CE2 3.79Å; W388-F393 HydrophobicContact CG-CE2 3.79Å; W388-R439 CarbonylContact O-C 3.48Å; W388-R439 WeakPolarHBondContact O-CA 3.45Å; W388-I440 PolarHBondContact N-O 2.7Å; W388-I440 VanDerWaalsContact N-O 3.11Å; W388-I440 PolarHBondContact O-N 3.45Å
389	P	96.4	Very high	91.7	Very high	22 Å²	22	39.5 Å²	39.5	14%	0.143	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	134	172.8	-23.3	34.2	0	0	0	111.6	S391 M392	P389-S391 VanDerWaalsContact C-N 3.26Å; P389-S391 PolarHBondContact O-N 3.32Å; P389-M392 HydrophobicContact CB-CB 4.41Å; P389-M392 WeakPolarHBondContact O-CB 3.4Å; P389-M392 PolarHBondContact O-N 2.96Å; P389-M392 VanDerWaalsContact O-N 3.07Å
390	V	97.9	Very high	92.2	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.073	20%	0.203	C	C	.	.	H	α-helix	trans	-57.5	-40.5	178	164.8	0	0	0	0	111.6	W388 M392 F393 E394 L401 Y405 K438 I440	W388-V390 PolarHBondContact O-N 3.26Å; V390-M392 PolarHBondContact O-N 2.99Å; V390-F393 WeakPolarHBondContact O-CB 3.39Å; V390-F393 PolarHBondContact O-N 3.1Å; V390-E394 PolarHBondContact O-N 3.21Å; V390-L401 HydrophobicContact CG1-CD1 4.22Å; V390-L401 HydrophobicContact CG1-CD2 4.08Å; V390-Y405 VanDerWaalsContact CG1-OH 3.24Å; V390-Y405 WeakPolarHBondContact CG1-OH 3.2Å; V390-K438 HydrophobicContact CB-CB 4.02Å; V390-K438 HydrophobicContact CG2-CB 3.64Å; V390-K438 PolarHBondContact N-O 3.36Å; V390-I440 HydrophobicContact CG2-CG1 3.91Å
391	S	96.3	Very high	92.9	Very high	67 Å²	67	38.1 Å²	38.1	47%	0.469	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-27.1	178.9	55.4	0	0	0	0	113.5	P389 K395	P389-S391 VanDerWaalsContact C-N 3.26Å; P389-S391 PolarHBondContact O-N 3.32Å; S391-K395 PolarHBondContact O-N 3.17Å
392	M	95.6	Very high	93.6	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-72.4	-42	175.5	-172.3	174.8	-76.4	0	0	111.1	F287 K290 E291 L294 W388 P389 V390 K395 L396	F287-M392 HydrophobicContact CD2-CE 4.01Å; F287-M392 HydrophobicContact CE2-CE 3.6Å; F287-M392 HydrophobicContact CZ-CE 4.03Å; K290-M392 HydrophobicContact CB-CE 3.82Å; E291-M392 HydrophobicContact CB-CE 4.35Å; L294-M392 HydrophobicContact CB-SD 4.35Å; L294-M392 HydrophobicContact CD2-CG 3.79Å; L294-M392 HydrophobicContact CD2-SD 3.89Å; W388-M392 HydrophobicContact CE3-SD 3.76Å; W388-M392 HydrophobicContact CZ3-SD 3.96Å; P389-M392 HydrophobicContact CB-CB 4.41Å; P389-M392 WeakPolarHBondContact O-CB 3.4Å; P389-M392 PolarHBondContact O-N 2.96Å; P389-M392 VanDerWaalsContact O-N 3.07Å; V390-M392 PolarHBondContact O-N 2.99Å; M392-K395 PolarHBondContact O-N 3.07Å; M392-L396 VanDerWaalsContact O-CB 3.25Å; M392-L396 WeakPolarHBondContact O-CB 3.49Å; M392-L396 PolarHBondContact O-N 3.22Å
393	F	97.5	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-42.1	174	-91.8	-110.5	0	0	0	111.8	L294 L345 W388 V390 K395 L396 L397 L401 I404 I440 M442	L294-F393 HydrophobicContact CD1-CE2 3.74Å; L294-F393 HydrophobicContact CD1-CZ 3.89Å; L294-F393 HydrophobicContact CD2-CD2 3.83Å; L294-F393 HydrophobicContact CD2-CE2 3.66Å; L294-F393 HydrophobicContact CD2-CZ 4.4Å; L294-F393 HydrophobicContact CG-CE2 4.38Å; L345-F393 HydrophobicContact CD2-CE1 3.58Å; L345-F393 HydrophobicContact CD2-CZ 3.82Å; W388-F393 HydrophobicContact CB-CD2 3.96Å; W388-F393 HydrophobicContact CB-CE2 3.46Å; W388-F393 VanDerWaalsContact CB-CE2 3.46Å; W388-F393 AromaticContact CD1-CE2 3.98Å; W388-F393 AromaticContact CG-CE2 3.79Å; W388-F393 HydrophobicContact CG-CE2 3.79Å; V390-F393 WeakPolarHBondContact O-CB 3.39Å; V390-F393 PolarHBondContact O-N 3.1Å; F393-K395 PolarHBondContact O-N 3.2Å; F393-L396 PolarHBondContact O-N 2.99Å; F393-L397 HydrophobicContact CD1-CB 4.47Å; F393-L397 HydrophobicContact CE1-CD1 4.45Å; F393-L397 CarbonylContact O-C 3.03Å; F393-L397 WeakPolarHBondContact O-CA 3.42Å; F393-L397 PolarHBondContact O-N 3.15Å; F393-L401 HydrophobicContact CB-CB 4.26Å; F393-L401 HydrophobicContact CB-CD1 4.2Å; F393-L401 HydrophobicContact CB-CD2 4.46Å; F393-I404 HydrophobicContact CD1-CD1 3.99Å; F393-I404 HydrophobicContact CE1-CD1 3.63Å; F393-I440 HydrophobicContact CB-CD1 3.94Å; F393-I440 HydrophobicContact CD1-CD1 3.63Å; F393-I440 HydrophobicContact CD2-CD1 3.71Å; F393-I440 HydrophobicContact CE1-CD1 3.97Å; F393-I440 HydrophobicContact CE2-CD1 4.08Å; F393-I440 HydrophobicContact CG-CD1 3.47Å; F393-I440 VanDerWaalsContact CG-CD1 3.47Å; F393-I440 HydrophobicContact CZ-CD1 4.19Å; F393-M442 HydrophobicContact CZ-CE 4.16Å; F393-M442 HydrophobicContact CZ-SD 4.23Å
394	E	97.4	Very high	95.9	Very high	125 Å²	125	31.9 Å²	31.9	58%	0.584	16%	0.162	S	C	*	.	H	α-helix	trans	-56.8	-41	176.7	-173.2	177.5	-167.7	0	0	111.5	V390 P398 L401	V390-E394 PolarHBondContact O-N 3.21Å; E394-P398 WeakPolarHBondContact O-CB 3.48Å; E394-L401 HydrophobicContact CB-CD2 3.77Å; E394-L401 HydrophobicContact CG-CD2 4.38Å
395	K	96.6	Very high	96.7	Very high	112 Å²	112	33.9 Å²	33.9	49%	0.487	16%	0.16	S	C	.	.	H	α-helix	trans	-75.1	-48.2	177	-173	-175.6	176.5	-165.5	0	112.8	Y204 S391 M392 F393	Y204-K395 WeakPolarHBondContact CA-O 3.37Å; Y204-K395 HydrophobicContact CD1-CG 4.15Å; Y204-K395 WeakPolarHBondContact CD1-O 3.4Å; Y204-K395 HydrophobicContact CE1-CD 4.48Å; Y204-K395 HydrophobicContact CE1-CG 4.26Å; S391-K395 PolarHBondContact O-N 3.17Å; M392-K395 PolarHBondContact O-N 3.07Å; F393-K395 PolarHBondContact O-N 3.2Å
396	L	97.3	Very high	97.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-91	-36.9	-166.2	-170.8	68.8	0	0	0	113.5	F203 Y204 L294 K295 M392 F393	F203-L396 HydrophobicContact CB-CD1 4.06Å; F203-L396 HydrophobicContact CD1-CD1 3.81Å; F203-L396 HydrophobicContact CD1-CD2 4.45Å; F203-L396 HydrophobicContact CD1-CG 4.09Å; F203-L396 HydrophobicContact CG-CD1 4.32Å; Y204-L396 HydrophobicContact CD1-CD1 3.91Å; Y204-L396 HydrophobicContact CD2-CD1 4.44Å; Y204-L396 HydrophobicContact CE1-CD1 3.53Å; Y204-L396 HydrophobicContact CE2-CD1 4.12Å; Y204-L396 HydrophobicContact CG-CD1 4.35Å; Y204-L396 PolarHBondContact N-O 3.36Å; L294-L396 HydrophobicContact CB-CD2 4.2Å; L294-L396 HydrophobicContact CD2-CD2 3.82Å; L294-L396 HydrophobicContact CG-CD2 3.89Å; K295-L396 HydrophobicContact CD-CD1 4.44Å; K295-L396 HydrophobicContact CG-CD1 3.98Å; K295-L396 HydrophobicContact CG-CD2 3.8Å; M392-L396 VanDerWaalsContact O-CB 3.25Å; M392-L396 WeakPolarHBondContact O-CB 3.49Å; M392-L396 PolarHBondContact O-N 3.22Å; F393-L396 PolarHBondContact O-N 2.99Å
397	L	98.6	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.			trans	-139.7	58.3	-170.4	-60.4	176.2	0	0	0	110.6	W216 Y298 L345 F393 R399 H400 L401	W216-L397 HydrophobicContact CH2-CD2 3.97Å; W216-L397 HydrophobicContact CZ2-CD2 4.37Å; Y298-L397 HydrophobicContact CD1-CD2 3.46Å; Y298-L397 VanDerWaalsContact CD1-CD2 3.46Å; Y298-L397 HydrophobicContact CD2-CD1 4.04Å; Y298-L397 HydrophobicContact CD2-CD2 3.99Å; Y298-L397 HydrophobicContact CE1-CD2 3.68Å; Y298-L397 HydrophobicContact CE2-CD2 4.21Å; Y298-L397 HydrophobicContact CG-CD1 3.95Å; Y298-L397 HydrophobicContact CG-CD2 3.62Å; Y298-L397 HydrophobicContact CG-CG 4.46Å; L345-L397 HydrophobicContact CD1-CD1 3.91Å; L345-L397 HydrophobicContact CD2-CD1 4.22Å; F393-L397 HydrophobicContact CD1-CB 4.47Å; F393-L397 HydrophobicContact CE1-CD1 4.45Å; F393-L397 CarbonylContact O-C 3.03Å; F393-L397 WeakPolarHBondContact O-CA 3.42Å; F393-L397 PolarHBondContact O-N 3.15Å; L397-R399 VanDerWaalsContact C-N 3.27Å; L397-R399 PolarHBondContact O-N 3.38Å; L397-H400 HydrophobicContact CB-CB 3.99Å; L397-H400 PolarHBondContact O-N 3.09Å; L397-H400 VanDerWaalsContact O-N 3.08Å; L397-L401 PolarHBondContact O-N 3.11Å; L397-L401 VanDerWaalsContact O-N 3.09Å
398	P	98.6	Very high	97.9	Very high	19 Å²	19	29.2 Å²	29.2	12%	0.123	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-34.9	-169.6	24	-34.9	0	0	0	112.7	V207 E394 L401 E402	V207-P398 HydrophobicContact CG2-CB 4.01Å; V207-P398 HydrophobicContact CG2-CG 4.26Å; E394-P398 WeakPolarHBondContact O-CB 3.48Å; P398-L401 PolarHBondContact O-N 3.03Å; P398-E402 PolarHBondContact O-N 3.07Å
399	R	98.6	Very high	98	Very high	17 Å²	17	33.2 Å²	33.2	6%	0.064	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-39.3	177.1	-176.7	55.2	-175.8	145	5.2	112.4	V207 W216 R352 D356 L397 L401 E402 I403	V207-R399 HydrophobicContact CG2-CB 3.85Å; W216-R399 HydrophobicContact CB-CB 4.33Å; W216-R399 HydrophobicContact CD2-CB 4.44Å; W216-R399 HydrophobicContact CG-CB 4.22Å; R352-R399 HydrophobicContact CG-CG 3.97Å; D356-R399 IonicContact OD1-CZ 2.95Å; D356-R399 IonicContact OD1-NE 3.26Å; D356-R399 PolarHBondContact OD1-NE 2.66Å; D356-R399 IonicContact OD1-NH2 2.76Å; D356-R399 PolarHBondContact OD1-NH2 3.12Å; D356-R399 IonicContact OD2-CZ 2.92Å; D356-R399 IonicContact OD2-NE 3.54Å; D356-R399 PolarHBondContact OD2-NE 3.03Å; D356-R399 IonicContact OD2-NH2 3.71Å; L397-R399 VanDerWaalsContact C-N 3.27Å; L397-R399 PolarHBondContact O-N 3.38Å; R399-L401 VanDerWaalsContact C-N 3.28Å; R399-L401 PolarHBondContact O-N 3.25Å; R399-E402 IonicContact CZ-OE2 2.65Å; R399-E402 IonicContact NH1-OE2 2.77Å; R399-E402 PolarHBondContact NH1-OE2 2.71Å; R399-E402 PolarHBondContact O-N 3.47Å; R399-I403 HydrophobicContact CG-CD1 4.23Å; R399-I403 WeakPolarHBondContact O-CG1 3.43Å; R399-I403 PolarHBondContact O-N 3.05Å; R399-I403 VanDerWaalsContact O-N 3.13Å
400	H	98.8	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-35.2	177.3	-56.6	74.5	0	0	0	111.3	W216 Y298 P348 E349 L397 I403 I404	W216-H400 AromaticContact CH2-CE1 3.95Å; W216-H400 AromaticContact CZ3-CE1 3.72Å; Y298-H400 AromaticContact CE2-CD2 3.91Å; Y298-H400 AromaticContact CE2-CE1 3.53Å; Y298-H400 AromaticContact CE2-NE2 3.18Å; Y298-H400 WeakPolarHBondContact CE2-NE2 3.48Å; Y298-H400 AromaticContact CZ-CE1 3.47Å; Y298-H400 VanDerWaalsContact CZ-CE1 3.47Å; Y298-H400 AromaticContact CZ-NE2 3.54Å; Y298-H400 PolarHBondContact OH-CE1 3.45Å; Y298-H400 VanDerWaalsContact OH-CE1 3.24Å; Y298-H400 PolarHBondContact OH-NE2 2.78Å; P348-H400 HydrophobicContact CB-CB 4.41Å; E349-H400 IonicContact OE2-CD2 3.86Å; E349-H400 IonicContact OE2-CE1 2.95Å; E349-H400 PolarHBondContact OE2-CE1 3.38Å; E349-H400 IonicContact OE2-NE2 3.65Å; E349-H400 PolarHBondContact OE2-NE2 2.93Å; L397-H400 HydrophobicContact CB-CB 3.99Å; L397-H400 PolarHBondContact O-N 3.09Å; L397-H400 VanDerWaalsContact O-N 3.08Å; H400-I403 PolarHBondContact O-N 3.15Å; H400-I404 WeakPolarHBondContact O-CB 3.37Å; H400-I404 WeakPolarHBondContact O-CD1 3.34Å; H400-I404 WeakPolarHBondContact O-CG1 3.25Å; H400-I404 PolarHBondContact O-N 3.42Å
401	L	98.8	Very high	98.1	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-46.2	174.3	-176.9	59	0	0	0	111.9	V390 F393 E394 L397 P398 R399 I403 I404 Y405 I440	V390-L401 HydrophobicContact CG1-CD1 4.22Å; V390-L401 HydrophobicContact CG1-CD2 4.08Å; F393-L401 HydrophobicContact CB-CB 4.26Å; F393-L401 HydrophobicContact CB-CD1 4.2Å; F393-L401 HydrophobicContact CB-CD2 4.46Å; E394-L401 HydrophobicContact CB-CD2 3.77Å; E394-L401 HydrophobicContact CG-CD2 4.38Å; L397-L401 PolarHBondContact O-N 3.11Å; L397-L401 VanDerWaalsContact O-N 3.09Å; P398-L401 PolarHBondContact O-N 3.03Å; R399-L401 VanDerWaalsContact C-N 3.28Å; R399-L401 PolarHBondContact O-N 3.25Å; L401-I403 VanDerWaalsContact C-N 3.31Å; L401-I403 PolarHBondContact O-N 3.08Å; L401-I404 PolarHBondContact O-N 2.85Å; L401-Y405 HydrophobicContact CD1-CD2 4.04Å; L401-Y405 HydrophobicContact CD1-CE2 3.54Å; L401-Y405 HydrophobicContact CD2-CE2 3.95Å; L401-Y405 HydrophobicContact CG-CD2 3.89Å; L401-Y405 HydrophobicContact CG-CE2 3.49Å; L401-Y405 VanDerWaalsContact CG-CE2 3.49Å; L401-Y405 WeakPolarHBondContact O-CD2 3.44Å; L401-Y405 PolarHBondContact O-N 3Å; L401-I440 HydrophobicContact CD1-CD1 3.86Å
402	E	98.7	Very high	98.2	Very high	62 Å²	62	35.9 Å²	35.9	29%	0.29	17%	0.166	S	C	.	.	H	α-helix	trans	-58.5	-43.3	174.7	-69.6	-175.1	166.6	0	0	112	H209 P398 R399 Y405 A406	H209-E402 IonicContact CE1-OE1 2.65Å; H209-E402 IonicContact CE1-OE2 3.49Å; H209-E402 IonicContact NE2-OE1 3.7Å; H209-E402 PolarHBondContact NE2-OE1 2.76Å; H209-E402 IonicContact NE2-OE2 3.86Å; H209-E402 PolarHBondContact NE2-OE2 3.12Å; P398-E402 PolarHBondContact O-N 3.07Å; R399-E402 IonicContact CZ-OE2 2.65Å; R399-E402 IonicContact NH1-OE2 2.77Å; R399-E402 PolarHBondContact NH1-OE2 2.71Å; R399-E402 PolarHBondContact O-N 3.47Å; E402-Y405 PolarHBondContact O-N 2.67Å; E402-A406 PolarHBondContact O-N 2.95Å
403	I	98.9	Very high	98.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-43.3	177.6	-69.1	169.7	0	0	0	110.8	P348 M351 R352 W362 R399 H400 L401 Y405 A406 I407	P348-I403 HydrophobicContact CB-CB 4.4Å; P348-I403 HydrophobicContact CB-CG2 3.82Å; M351-I403 HydrophobicContact CB-CG2 3.88Å; M351-I403 HydrophobicContact CG-CG2 4.47Å; R352-I403 HydrophobicContact CB-CD1 3.58Å; R352-I403 HydrophobicContact CG-CD1 4.04Å; W362-I403 HydrophobicContact CH2-CB 4.36Å; W362-I403 HydrophobicContact CH2-CG1 4.45Å; W362-I403 HydrophobicContact CH2-CG2 3.94Å; W362-I403 HydrophobicContact CZ3-CG1 4.3Å; W362-I403 HydrophobicContact CZ3-CG2 4.46Å; R399-I403 HydrophobicContact CG-CD1 4.23Å; R399-I403 WeakPolarHBondContact O-CG1 3.43Å; R399-I403 PolarHBondContact O-N 3.05Å; R399-I403 VanDerWaalsContact O-N 3.13Å; H400-I403 PolarHBondContact O-N 3.15Å; L401-I403 VanDerWaalsContact C-N 3.31Å; L401-I403 PolarHBondContact O-N 3.08Å; I403-Y405 PolarHBondContact O-N 3.46Å; I403-A406 PolarHBondContact O-N 3.27Å; I403-I407 HydrophobicContact CG2-CD1 3.88Å; I403-I407 HydrophobicContact CG2-CG1 4.46Å; I403-I407 VanDerWaalsContact O-CG1 3.31Å; I403-I407 WeakPolarHBondContact O-CG1 3.24Å; I403-I407 PolarHBondContact O-N 3.13Å
404	I	98.9	Very high	98.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-42	177.4	-72.1	164.7	0	0	0	110.7	P348 F393 H400 L401 I407 N408 V431 I432 I440 L445	P348-I404 HydrophobicContact CB-CG1 4.13Å; P348-I404 HydrophobicContact CG-CD1 4.33Å; P348-I404 HydrophobicContact CG-CG1 4.27Å; F393-I404 HydrophobicContact CD1-CD1 3.99Å; F393-I404 HydrophobicContact CE1-CD1 3.63Å; H400-I404 WeakPolarHBondContact O-CB 3.37Å; H400-I404 WeakPolarHBondContact O-CD1 3.34Å; H400-I404 WeakPolarHBondContact O-CG1 3.25Å; H400-I404 PolarHBondContact O-N 3.42Å; L401-I404 PolarHBondContact O-N 2.85Å; I404-I407 PolarHBondContact O-N 3.47Å; I404-N408 WeakPolarHBondContact O-CB 3.49Å; I404-N408 PolarHBondContact O-N 3.22Å; I404-V431 HydrophobicContact CG2-CG1 3.87Å; I404-I432 HydrophobicContact CG2-CD1 4.2Å; I404-I440 HydrophobicContact CD1-CD1 4.19Å; I404-I440 HydrophobicContact CD1-CG2 4.47Å; I404-I440 HydrophobicContact CG2-CG2 4.14Å; I404-L445 HydrophobicContact CD1-CD2 4.24Å; I404-L445 HydrophobicContact CG1-CD1 4.45Å; I404-L445 HydrophobicContact CG1-CD2 4.21Å
405	Y	98.9	Very high	98.4	Very high	90 Å²	90	38.5 Å²	38.5	35%	0.353	18%	0.18	S	C	.	.	H	α-helix	trans	-62.4	-42.3	174.5	-77.3	-49	0	0	0	112.3	V390 L401 E402 I403 N408 Q409 I432	V390-Y405 VanDerWaalsContact CG1-OH 3.24Å; V390-Y405 WeakPolarHBondContact CG1-OH 3.2Å; L401-Y405 HydrophobicContact CD1-CD2 4.04Å; L401-Y405 HydrophobicContact CD1-CE2 3.54Å; L401-Y405 HydrophobicContact CD2-CE2 3.95Å; L401-Y405 HydrophobicContact CG-CD2 3.89Å; L401-Y405 HydrophobicContact CG-CE2 3.49Å; L401-Y405 VanDerWaalsContact CG-CE2 3.49Å; L401-Y405 WeakPolarHBondContact O-CD2 3.44Å; L401-Y405 PolarHBondContact O-N 3Å; E402-Y405 PolarHBondContact O-N 2.67Å; I403-Y405 PolarHBondContact O-N 3.46Å; Y405-N408 PolarHBondContact O-N 3.27Å; Y405-Q409 WeakPolarHBondContact O-CB 3.43Å; Y405-Q409 PolarHBondContact O-N 2.8Å; Y405-I432 HydrophobicContact CD1-CD1 3.98Å; Y405-I432 HydrophobicContact CD1-CG1 3.88Å; Y405-I432 HydrophobicContact CE1-CD1 3.62Å; Y405-I432 HydrophobicContact CE1-CG1 3.67Å; Y405-I432 HydrophobicContact CE1-CG2 4.37Å
406	A	98.7	Very high	98.4	Very high	31 Å²	31	34.9 Å²	34.9	26%	0.256	17%	0.172	S	C	.	.	H	α-helix	trans	-65.6	-38.9	176.6	0	0	0	0	0	112.6	W362 E402 I403 R410	W362-A406 HydrophobicContact CH2-CB 3.52Å; W362-A406 HydrophobicContact CZ2-CB 3.66Å; W362-A406 HydrophobicContact CZ3-CB 4.34Å; E402-A406 PolarHBondContact O-N 2.95Å; I403-A406 PolarHBondContact O-N 3.27Å; A406-R410 WeakPolarHBondContact O-CG 3.34Å; A406-R410 PolarHBondContact O-N 2.81Å; A406-R410 VanDerWaalsContact O-N 3.17Å
407	I	98.8	Very high	98.4	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-48.4	171.7	-70.5	166.8	0	0	0	110	I347 W362 W366 I403 I404 H411 L445 I448	I347-I407 HydrophobicContact CG2-CD1 4.21Å; W362-I407 HydrophobicContact CZ2-CG1 4.13Å; W366-I407 HydrophobicContact CE3-CD1 4.5Å; W366-I407 HydrophobicContact CE3-CG1 4.4Å; W366-I407 HydrophobicContact CH2-CD1 4.13Å; W366-I407 HydrophobicContact CH2-CG1 4.08Å; W366-I407 HydrophobicContact CH2-CG2 3.72Å; W366-I407 HydrophobicContact CZ2-CG2 4.17Å; W366-I407 HydrophobicContact CZ3-CD1 3.72Å; W366-I407 HydrophobicContact CZ3-CG1 3.88Å; W366-I407 HydrophobicContact CZ3-CG2 4.37Å; I403-I407 HydrophobicContact CG2-CD1 3.88Å; I403-I407 HydrophobicContact CG2-CG1 4.46Å; I403-I407 VanDerWaalsContact O-CG1 3.31Å; I403-I407 WeakPolarHBondContact O-CG1 3.24Å; I403-I407 PolarHBondContact O-N 3.13Å; I404-I407 PolarHBondContact O-N 3.47Å; I407-H411 WeakPolarHBondContact O-CB 2.85Å; I407-H411 PolarHBondContact O-N 3.09Å; I407-L445 HydrophobicContact CD1-CD1 4.26Å; I407-L445 HydrophobicContact CG2-CD1 4.33Å; I407-I448 HydrophobicContact CG2-CG2 3.9Å
408	N	98.8	Very high	98.3	Very high	15 Å²	15	43 Å²	43	8%	0.08	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-47.7	-179.4	-172.4	62.8	0	0	0	111.8	I404 Y405 R410 H411 L412 S430 V431 I432	I404-N408 WeakPolarHBondContact O-CB 3.49Å; I404-N408 PolarHBondContact O-N 3.22Å; Y405-N408 PolarHBondContact O-N 3.27Å; N408-R410 PolarHBondContact O-N 3.06Å; N408-H411 PolarHBondContact O-N 3.37Å; N408-L412 WeakPolarHBondContact O-CG 3.35Å; N408-L412 PolarHBondContact O-N 3.23Å; N408-S430 PolarHBondContact ND2-OG 3.48Å; N408-S430 PolarHBondContact OD1-OG 3.44Å; N408-V431 HydrophobicContact CB-CB 4.24Å; N408-V431 HydrophobicContact CB-CG2 4.46Å; N408-V431 PolarHBondContact OD1-N 2.96Å; N408-I432 HydrophobicContact CB-CG1 4.47Å
409	Q	98.6	Very high	98.2	Very high	104 Å²	104	44.9 Å²	44.9	49%	0.486	23%	0.232	S	C	.	.	H	α-helix	trans	-57.3	-53.8	179.3	-177.5	60.3	47	0	0	111.1	Y405 H411 L412 D413	Y405-Q409 WeakPolarHBondContact O-CB 3.43Å; Y405-Q409 PolarHBondContact O-N 2.8Å; Q409-H411 VanDerWaalsContact C-N 3.28Å; Q409-H411 PolarHBondContact O-N 2.94Å; Q409-L412 PolarHBondContact O-N 3.26Å; Q409-D413 VanDerWaalsContact NE2-CG 3.32Å; Q409-D413 PolarHBondContact NE2-OD1 3.06Å; Q409-D413 PolarHBondContact NE2-OD2 2.9Å; Q409-D413 VanDerWaalsContact NE2-OD2 3.15Å; Q409-D413 PolarHBondContact O-N 2.94Å
410	R	98.5	Very high	98	Very high	116 Å²	116	49.3 Å²	49.3	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-34.9	-179.7	-68	174	178.5	-111.5	8.4	112.6	W362 D363 A406 N408 H414	W362-R410 VanDerWaalsContact NE1-NE 3.17Å; D363-R410 IonicContact OD1-CZ 2.73Å; D363-R410 IonicContact OD1-NH1 2.78Å; D363-R410 PolarHBondContact OD1-NH1 3.06Å; A406-R410 WeakPolarHBondContact O-CG 3.34Å; A406-R410 PolarHBondContact O-N 2.81Å; A406-R410 VanDerWaalsContact O-N 3.17Å; N408-R410 PolarHBondContact O-N 3.06Å; R410-H414 WeakPolarHBondContact O-CB 3.44Å; R410-H414 PolarHBondContact O-N 3.1Å
411	H	98.3	Very high	97.8	Very high	13 Å²	13	52.9 Å²	52.9	6%	0.06	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-49.3	174.1	175.3	63.4	0	0	0	111.5	I407 N408 Q409 D413 H414 V415 I448 F472	I407-H411 WeakPolarHBondContact O-CB 2.85Å; I407-H411 PolarHBondContact O-N 3.09Å; N408-H411 PolarHBondContact O-N 3.37Å; Q409-H411 VanDerWaalsContact C-N 3.28Å; Q409-H411 PolarHBondContact O-N 2.94Å; H411-D413 VanDerWaalsContact C-N 3.34Å; H411-D413 PolarHBondContact O-N 3.32Å; H411-H414 WeakPolarHBondContact O-CB 3.3Å; H411-H414 PolarHBondContact O-N 2.91Å; H411-H414 VanDerWaalsContact O-N 3.17Å; H411-V415 WeakPolarHBondContact O-CG2 3.48Å; H411-V415 PolarHBondContact O-N 2.68Å; H411-I448 HydrophobicContact CB-CD1 4.29Å; H411-I448 HydrophobicContact CB-CG2 4.22Å; H411-I448 VanDerWaalsContact CD2-CD1 3.4Å; H411-I448 WeakPolarHBondContact CD2-CD1 3.26Å; H411-F472 AromaticContact NE2-CE1 3.63Å
412	L	98.4	Very high	97.7	Very high	29 Å²	29	55 Å²	55	15%	0.152	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-35.4	-179.6	-67.3	-178.7	0	0	0	112.4	N408 Q409 H414 V415 A416 L426	N408-L412 WeakPolarHBondContact O-CG 3.35Å; N408-L412 PolarHBondContact O-N 3.23Å; Q409-L412 PolarHBondContact O-N 3.26Å; L412-H414 VanDerWaalsContact C-N 3.3Å; L412-H414 PolarHBondContact O-N 3.22Å; L412-V415 PolarHBondContact O-N 2.94Å; L412-A416 VanDerWaalsContact O-CB 3.31Å; L412-A416 WeakPolarHBondContact O-CB 3.47Å; L412-A416 PolarHBondContact O-N 2.99Å; L412-L426 HydrophobicContact CB-CD2 4.45Å; L412-L426 HydrophobicContact CD2-CB 4.37Å; L412-L426 HydrophobicContact CD2-CD2 4.23Å; L412-L426 VanDerWaalsContact CD2-O 3.27Å; L412-L426 WeakPolarHBondContact CD2-O 3.4Å; L412-L426 WeakPolarHBondContact O-CD2 3.49Å
413	D	98.1	Very high	97.5	Very high	88 Å²	88	57.1 Å²	57.1	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-41.4	172.4	-67.8	-27.3	0	0	0	111.1	Q409 H411 A416 A417	Q409-D413 VanDerWaalsContact NE2-CG 3.32Å; Q409-D413 PolarHBondContact NE2-OD1 3.06Å; Q409-D413 PolarHBondContact NE2-OD2 2.9Å; Q409-D413 VanDerWaalsContact NE2-OD2 3.15Å; Q409-D413 PolarHBondContact O-N 2.94Å; H411-D413 VanDerWaalsContact C-N 3.34Å; H411-D413 PolarHBondContact O-N 3.32Å; D413-A416 PolarHBondContact O-N 3.02Å; D413-A417 WeakPolarHBondContact O-CB 3.24Å; D413-A417 PolarHBondContact O-N 2.51Å
414	H	97.3	Very high	97.4	Very high	93 Å²	93	60.6 Å²	60.6	43%	0.431	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-43.3	175.2	-177.4	60.1	0	0	0	112.4	R410 H411 L412 A417 L418	R410-H414 WeakPolarHBondContact O-CB 3.44Å; R410-H414 PolarHBondContact O-N 3.1Å; H411-H414 WeakPolarHBondContact O-CB 3.3Å; H411-H414 PolarHBondContact O-N 2.91Å; H411-H414 VanDerWaalsContact O-N 3.17Å; L412-H414 VanDerWaalsContact C-N 3.3Å; L412-H414 PolarHBondContact O-N 3.22Å; H414-A417 PolarHBondContact O-N 3.41Å; H414-L418 WeakPolarHBondContact NE2-CD1 3.44Å; H414-L418 PolarHBondContact O-N 2.96Å
415	V	97.9	Very high	97.3	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-63	-43.2	175.7	176	0	0	0	0	110.7	H411 L412 A417 L418 F419 R425 L426 M429 L475	H411-V415 WeakPolarHBondContact O-CG2 3.48Å; H411-V415 PolarHBondContact O-N 2.68Å; L412-V415 PolarHBondContact O-N 2.94Å; V415-A417 VanDerWaalsContact C-N 3.3Å; V415-A417 PolarHBondContact O-N 2.85Å; V415-L418 PolarHBondContact O-N 3.33Å; V415-F419 HydrophobicContact CG1-CD2 4.19Å; V415-F419 PolarHBondContact O-N 3.12Å; V415-R425 HydrophobicContact CG1-CG 4.15Å; V415-L426 HydrophobicContact CB-CD2 3.79Å; V415-L426 HydrophobicContact CG1-CD2 3.61Å; V415-M429 HydrophobicContact CG1-SD 3.89Å; V415-M429 HydrophobicContact CG2-CE 3.99Å; V415-M429 HydrophobicContact CG2-SD 4.07Å; V415-L475 HydrophobicContact CG2-CD1 4.4Å; V415-L475 HydrophobicContact CG2-CD2 4.06Å
416	A	97.7	Very high	97.2	Very high	37 Å²	37	59.4 Å²	59.4	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-35.1	178.8	0	0	0	0	0	112.3	L412 D413 P420 L426	L412-A416 VanDerWaalsContact O-CB 3.31Å; L412-A416 WeakPolarHBondContact O-CB 3.47Å; L412-A416 PolarHBondContact O-N 2.99Å; D413-A416 PolarHBondContact O-N 3.02Å; A416-P420 WeakPolarHBondContact O-CA 3.42Å; A416-L426 HydrophobicContact CB-CD1 4.24Å; A416-L426 HydrophobicContact CB-CD2 3.98Å
417	A	97.3	Very high	97.1	Very high	79 Å²	79	65.6 Å²	65.6	65%	0.653	36%	0.362	S	S	*	.	H	α-helix	trans	-68	-35.3	175.8	0	0	0	0	0	112.8	D413 H414 V415	D413-A417 WeakPolarHBondContact O-CB 3.24Å; D413-A417 PolarHBondContact O-N 2.51Å; H414-A417 PolarHBondContact O-N 3.41Å; V415-A417 VanDerWaalsContact C-N 3.3Å; V415-A417 PolarHBondContact O-N 2.85Å
418	L	95.9	Very high	97	Very high	93 Å²	93	69.6 Å²	69.6	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-86.4	-31.3	-179.4	-70.5	173.4	0	0	0	113.5	H414 V415 P420 L475	H414-L418 WeakPolarHBondContact NE2-CD1 3.44Å; H414-L418 PolarHBondContact O-N 2.96Å; V415-L418 PolarHBondContact O-N 3.33Å; L418-P420 VanDerWaalsContact C-CD 3.42Å; L418-P420 WeakPolarHBondContact O-CD 3.32Å; L418-L475 HydrophobicContact CD1-CD1 3.49Å; L418-L475 VanDerWaalsContact CD1-CD1 3.49Å
419	F	95.9	Very high	97	Very high	58 Å²	58	68.9 Å²	68.9	25%	0.254	37%	0.373	S	S	.	.	S	Bend	trans	-124.4	64.8	-178.7	-58.2	-82	0	0	0	111	V415 G421 D422 L475	V415-F419 HydrophobicContact CG1-CD2 4.19Å; V415-F419 PolarHBondContact O-N 3.12Å; F419-G421 PolarHBondContact O-N 3.13Å; F419-D422 HydrophobicContact CB-CB 4.31Å; F419-D422 PolarHBondContact O-N 3.42Å; F419-L475 HydrophobicContact CD2-CD1 4.48Å; F419-L475 HydrophobicContact CE2-CD1 3.75Å
420	P	95.4	Very high	97	Very high	109 Å²	109	64.6 Å²	64.6	71%	0.708	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	125.6	-175.4	25.8	-34.4	0	0	0	111.1	A416 L418	A416-P420 WeakPolarHBondContact O-CA 3.42Å; L418-P420 VanDerWaalsContact C-CD 3.42Å; L418-P420 WeakPolarHBondContact O-CD 3.32Å
421	G	94.1	Very high	97	Very high	76 Å²	76	59 Å²	59	78%	0.784	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	-9.8	178.1	0	0	0	0	0	115.8	F419 V423	F419-G421 PolarHBondContact O-N 3.13Å; G421-V423 VanDerWaalsContact C-N 3.32Å; G421-V423 PolarHBondContact O-N 3.36Å
422	D	95.9	Very high	97	Very high	55 Å²	55	59 Å²	59	29%	0.294	33%	0.333	S	S	.	.			trans	-84.8	71.7	176.3	-167.8	-9.1	0	0	0	111.4	F419 D424 R425 L426	F419-D422 HydrophobicContact CB-CB 4.31Å; F419-D422 PolarHBondContact O-N 3.42Å; D422-D424 VanDerWaalsContact C-N 3.27Å; D422-D424 PolarHBondContact O-N 3.42Å; D422-R425 HydrophobicContact CB-CB 4.05Å; D422-R425 WeakPolarHBondContact O-CB 3.32Å; D422-R425 PolarHBondContact O-N 2.93Å; D422-R425 WeakPolarHBondContact OD1-CB 3.08Å; D422-R425 PolarHBondContact OD1-N 2.87Å; D422-R425 VanDerWaalsContact OD2-CB 3.28Å; D422-R425 WeakPolarHBondContact OD2-CB 3.43Å; D422-R425 IonicContact OD2-CZ 3.6Å; D422-R425 IonicContact OD2-NE 2.81Å; D422-R425 PolarHBondContact OD2-NE 2.82Å; D422-R425 IonicContact OD2-NH2 3.61Å; D422-L426 PolarHBondContact O-N 2.95Å
423	V	95.4	Very high	96.9	Very high	108 Å²	108	59.4 Å²	59.4	66%	0.655	34%	0.335	S	S	*	.	H	α-helix	trans	-62.8	-33	-177.1	179.5	0	0	0	0	112.2	G421 L426 R427	G421-V423 VanDerWaalsContact C-N 3.32Å; G421-V423 PolarHBondContact O-N 3.36Å; V423-L426 WeakPolarHBondContact O-CB 3.37Å; V423-L426 PolarHBondContact O-N 2.94Å; V423-R427 PolarHBondContact O-N 2.8Å
424	D	97.1	Very high	96.8	Very high	73 Å²	73	61.2 Å²	61.2	39%	0.39	34%	0.34	S	S	.	.	H	α-helix	trans	-70.6	-35.5	179.2	-164.6	57.3	0	0	0	111.5	D422 L426 R427 R428	D422-D424 VanDerWaalsContact C-N 3.27Å; D422-D424 PolarHBondContact O-N 3.42Å; D424-L426 VanDerWaalsContact C-N 3.34Å; D424-L426 PolarHBondContact O-N 2.71Å; D424-R427 WeakPolarHBondContact O-CB 3.38Å; D424-R427 PolarHBondContact O-N 2.93Å; D424-R427 IonicContact OD1-CZ 3.97Å; D424-R427 VanDerWaalsContact OD1-CZ 3.26Å; D424-R427 IonicContact OD1-NE 3.78Å; D424-R427 PolarHBondContact OD1-NE 2.99Å; D424-R427 IonicContact OD1-NH2 3.76Å; D424-R427 PolarHBondContact OD1-NH2 3.29Å; D424-R427 IonicContact OD2-NH2 3.26Å; D424-R428 WeakPolarHBondContact O-CG 3.47Å; D424-R428 PolarHBondContact O-N 3.39Å; D424-R428 IonicContact OD2-CZ 3.22Å; D424-R428 IonicContact OD2-NH1 3.15Å; D424-R428 PolarHBondContact OD2-NH1 3.08Å
425	R	96.6	Very high	96.5	Very high	20 Å²	20	59.4 Å²	59.4	8%	0.075	35%	0.347	C	S	.	.	H	α-helix	trans	-59.8	-42.6	171.4	178.7	-178.8	-63.7	-98	-0.7	112.3	V415 D422 R427 R428 M429 D471 E474	V415-R425 HydrophobicContact CG1-CG 4.15Å; D422-R425 HydrophobicContact CB-CB 4.05Å; D422-R425 WeakPolarHBondContact O-CB 3.32Å; D422-R425 PolarHBondContact O-N 2.93Å; D422-R425 WeakPolarHBondContact OD1-CB 3.08Å; D422-R425 PolarHBondContact OD1-N 2.87Å; D422-R425 VanDerWaalsContact OD2-CB 3.28Å; D422-R425 WeakPolarHBondContact OD2-CB 3.43Å; D422-R425 IonicContact OD2-CZ 3.6Å; D422-R425 IonicContact OD2-NE 2.81Å; D422-R425 PolarHBondContact OD2-NE 2.82Å; D422-R425 IonicContact OD2-NH2 3.61Å; R425-R427 VanDerWaalsContact C-N 3.26Å; R425-R427 PolarHBondContact O-N 3.17Å; R425-R428 PolarHBondContact O-N 2.98Å; R425-R428 VanDerWaalsContact O-N 3.13Å; R425-M429 HydrophobicContact CG-CG 4.06Å; R425-M429 HydrophobicContact CG-SD 3.48Å; R425-M429 WeakPolarHBondContact CG-SD 3.41Å; R425-M429 WeakPolarHBondContact O-CB 3.25Å; R425-M429 WeakPolarHBondContact O-CG 3.18Å; R425-M429 PolarHBondContact O-N 3.43Å; R425-D471 IonicContact CZ-OD1 3.71Å; R425-D471 IonicContact NH1-OD1 2.69Å; R425-D471 PolarHBondContact NH1-OD1 3.19Å; R425-D471 IonicContact NH2-OD1 3.68Å; R425-E474 IonicContact CZ-OE2 3.84Å; R425-E474 VanDerWaalsContact CZ-OE2 3.22Å; R425-E474 IonicContact NH1-OE2 2.94Å; R425-E474 PolarHBondContact NH1-OE2 2.83Å; R425-E474 IonicContact NH2-OE2 3.85Å; R425-E474 PolarHBondContact NH2-OE2 2.92Å
426	L	96.8	Very high	95.9	Very high	45 Å²	45	68.3 Å²	68.3	24%	0.236	39%	0.394	C	S	.	.	H	α-helix	trans	-56.3	-44	175.2	-63.7	175.8	0	0	0	111.4	L412 V415 A416 D422 V423 D424 M429 S430	L412-L426 HydrophobicContact CB-CD2 4.45Å; L412-L426 HydrophobicContact CD2-CB 4.37Å; L412-L426 HydrophobicContact CD2-CD2 4.23Å; L412-L426 VanDerWaalsContact CD2-O 3.27Å; L412-L426 WeakPolarHBondContact CD2-O 3.4Å; L412-L426 WeakPolarHBondContact O-CD2 3.49Å; V415-L426 HydrophobicContact CB-CD2 3.79Å; V415-L426 HydrophobicContact CG1-CD2 3.61Å; A416-L426 HydrophobicContact CB-CD1 4.24Å; A416-L426 HydrophobicContact CB-CD2 3.98Å; D422-L426 PolarHBondContact O-N 2.95Å; V423-L426 WeakPolarHBondContact O-CB 3.37Å; V423-L426 PolarHBondContact O-N 2.94Å; D424-L426 VanDerWaalsContact C-N 3.34Å; D424-L426 PolarHBondContact O-N 2.71Å; L426-M429 PolarHBondContact O-N 3.2Å; L426-S430 PolarHBondContact O-N 3.43Å; L426-S430 VanDerWaalsContact O-N 3.13Å
427	R	96.7	Very high	95.7	Very high	162 Å²	162	69.4 Å²	69.4	61%	0.611	40%	0.399	S	S	*	.	H	α-helix	trans	-63.5	-43.6	176.2	-173.7	-173.2	64.8	80.3	2.6	112	V423 D424 R425	V423-R427 PolarHBondContact O-N 2.8Å; D424-R427 WeakPolarHBondContact O-CB 3.38Å; D424-R427 PolarHBondContact O-N 2.93Å; D424-R427 IonicContact OD1-CZ 3.97Å; D424-R427 VanDerWaalsContact OD1-CZ 3.26Å; D424-R427 IonicContact OD1-NE 3.78Å; D424-R427 PolarHBondContact OD1-NE 2.99Å; D424-R427 IonicContact OD1-NH2 3.76Å; D424-R427 PolarHBondContact OD1-NH2 3.29Å; D424-R427 IonicContact OD2-NH2 3.26Å; R425-R427 VanDerWaalsContact C-N 3.26Å; R425-R427 PolarHBondContact O-N 3.17Å
428	R	96.6	Very high	95.6	Very high	87 Å²	87	69.9 Å²	69.9	33%	0.328	39%	0.386	S	S	.	.	H	α-helix	trans	-70.8	-28.5	-179.1	-65.9	-170.5	-44.2	-94.4	-1.2	113.5	D424 R425 H444 D471	D424-R428 WeakPolarHBondContact O-CG 3.47Å; D424-R428 PolarHBondContact O-N 3.39Å; D424-R428 IonicContact OD2-CZ 3.22Å; D424-R428 IonicContact OD2-NH1 3.15Å; D424-R428 PolarHBondContact OD2-NH1 3.08Å; R425-R428 PolarHBondContact O-N 2.98Å; R425-R428 VanDerWaalsContact O-N 3.13Å; R428-H444 PolarHBondContact O-CE1 3.42Å; R428-D471 IonicContact CZ-OD2 2.91Å; R428-D471 VanDerWaalsContact CZ-OD2 3.3Å; R428-D471 IonicContact NE-OD2 2.75Å; R428-D471 PolarHBondContact NE-OD2 2.67Å; R428-D471 IonicContact NH2-OD1 2.83Å; R428-D471 PolarHBondContact NH2-OD1 3.17Å; R428-D471 VanDerWaalsContact NH2-OD1 3.15Å; R428-D471 IonicContact NH2-OD2 3.56Å; R428-D471 PolarHBondContact NH2-OD2 3.04Å
429	M	97.9	Very high	95.7	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-95	-4.2	-179.3	-63.2	-176.1	73.9	0	0	114	V415 R425 L426 D471 F472 L475	V415-M429 HydrophobicContact CG1-SD 3.89Å; V415-M429 HydrophobicContact CG2-CE 3.99Å; V415-M429 HydrophobicContact CG2-SD 4.07Å; R425-M429 HydrophobicContact CG-CG 4.06Å; R425-M429 HydrophobicContact CG-SD 3.48Å; R425-M429 WeakPolarHBondContact CG-SD 3.41Å; R425-M429 WeakPolarHBondContact O-CB 3.25Å; R425-M429 WeakPolarHBondContact O-CG 3.18Å; R425-M429 PolarHBondContact O-N 3.43Å; L426-M429 PolarHBondContact O-N 3.2Å; M429-D471 HydrophobicContact CE-CB 4.4Å; M429-D471 WeakPolarHBondContact CE-O 3.44Å; M429-D471 HydrophobicContact CG-CB 3.64Å; M429-D471 HydrophobicContact SD-CB 3.71Å; M429-F472 HydrophobicContact CB-CE1 4.3Å; M429-F472 HydrophobicContact CB-CZ 4.1Å; M429-F472 HydrophobicContact CE-CB 4.5Å; M429-F472 HydrophobicContact CE-CD1 3.59Å; M429-F472 HydrophobicContact CE-CE1 3.88Å; M429-F472 HydrophobicContact CE-CG 4.02Å; M429-F472 HydrophobicContact CG-CZ 4.44Å; M429-L475 HydrophobicContact CE-CB 4.12Å; M429-L475 HydrophobicContact CE-CD2 3.79Å; M429-L475 HydrophobicContact CE-CG 4.49Å
430	S	98.4	Very high	95.8	Very high	14 Å²	14	67.5 Å²	67.5	10%	0.098	37%	0.369	C	S	.	.			trans	-63.2	139.6	176.7	-178.7	0	0	0	0	111.5	N408 L426 I432 H444	N408-S430 PolarHBondContact ND2-OG 3.48Å; N408-S430 PolarHBondContact OD1-OG 3.44Å; L426-S430 PolarHBondContact O-N 3.43Å; L426-S430 VanDerWaalsContact O-N 3.13Å; S430-I432 WeakPolarHBondContact CB-O 3.23Å; S430-I432 PolarHBondContact OG-N 3.15Å; S430-I432 PolarHBondContact OG-O 3.46Å; S430-H444 PolarHBondContact O-ND1 2.91Å
431	V	98.3	Very high	95.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-68.3	-28	166.2	179.8	0	0	0	0	110.5	I404 N408 I440 N441 H444 L445 I448	I404-V431 HydrophobicContact CG2-CG1 3.87Å; N408-V431 HydrophobicContact CB-CB 4.24Å; N408-V431 HydrophobicContact CB-CG2 4.46Å; N408-V431 PolarHBondContact OD1-N 2.96Å; V431-I440 HydrophobicContact CG1-CG2 3.8Å; V431-I440 WeakPolarHBondContact O-CA 3.39Å; V431-N441 PolarHBondContact O-N 3.32Å; V431-H444 HydrophobicContact CG2-CB 4.28Å; V431-L445 HydrophobicContact CG1-CB 4.11Å; V431-I448 HydrophobicContact CG2-CD1 3.39Å
432	I	98.3	Very high	96.1	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.056	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.8	-179.4	-52	-61.1	0	0	0	109.2	I404 Y405 N408 S430 R439 I440	I404-I432 HydrophobicContact CG2-CD1 4.2Å; Y405-I432 HydrophobicContact CD1-CD1 3.98Å; Y405-I432 HydrophobicContact CD1-CG1 3.88Å; Y405-I432 HydrophobicContact CE1-CD1 3.62Å; Y405-I432 HydrophobicContact CE1-CG1 3.67Å; Y405-I432 HydrophobicContact CE1-CG2 4.37Å; N408-I432 HydrophobicContact CB-CG1 4.47Å; S430-I432 WeakPolarHBondContact CB-O 3.23Å; S430-I432 PolarHBondContact OG-N 3.15Å; S430-I432 PolarHBondContact OG-O 3.46Å; I432-R439 WeakPolarHBondContact CA-O 3.4Å; I432-I440 HydrophobicContact CD1-CG1 4.1Å
433	E	97.1	Very high	96.2	Very high	39 Å²	39	56.2 Å²	56.2	18%	0.182	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.7	174.3	-62.5	-178.3	172.6	0	0	109.7	R387 K438 R439 N441	R387-E433 WeakPolarHBondContact CD-OE2 3.36Å; R387-E433 IonicContact CZ-OE1 2.77Å; R387-E433 IonicContact CZ-OE2 2.78Å; R387-E433 IonicContact NE-OE1 3.73Å; R387-E433 IonicContact NE-OE2 3.3Å; R387-E433 IonicContact NH1-OE1 3.94Å; R387-E433 PolarHBondContact NH1-OE1 2.94Å; R387-E433 IonicContact NH1-OE2 3.45Å; R387-E433 PolarHBondContact NH1-OE2 2.86Å; R387-E433 IonicContact NH2-OE1 2.97Å; E433-K438 WeakPolarHBondContact O-CA 3.5Å; E433-R439 HydrophobicContact CB-CB 4.36Å; E433-R439 PolarHBondContact N-O 3.17Å; E433-R439 PolarHBondContact O-N 3.47Å; E433-N441 HydrophobicContact CG-CB 4.22Å; E433-N441 PolarHBondContact OE1-ND2 3.31Å
434	E	95.6	Very high	96.4	Very high	126 Å²	126	52 Å²	52	59%	0.589	26%	0.258	S	S	*	.			trans	-81	153.8	172.4	-61.5	-63.6	164.4	0	0	111	K438	E434-K438 VanDerWaalsContact CD-NZ 3.27Å; E434-K438 IonicContact OE1-NZ 3.88Å; E434-K438 PolarHBondContact OE1-NZ 2.91Å; E434-K438 WeakPolarHBondContact OE2-CE 3.1Å; E434-K438 IonicContact OE2-NZ 3.87Å; E434-K438 PolarHBondContact OE2-NZ 3.29Å
435	G	91.3	Very high	96.4	Very high	55 Å²	55	48.5 Å²	48.5	57%	0.567	24%	0.239	S	C	*	.	S	Bend	trans	159.4	-166	-179.8	0	0	0	0	0	111.1	C437	G435-C437 PolarHBondContact O-N 2.8Å; G435-C437 VanDerWaalsContact O-N 3.12Å
436	D	86.8	Confident	96.5	Very high	187 Å²	187	47.6 Å²	47.6	100%	1	24%	0.236	S	C	*	.	S	Bend	trans	-54.3	-34	178.3	-63.6	-23	0	0	0	112.6
437	C	91.6	Very high	96.6	Very high	60 Å²	60	45.4 Å²	45.4	41%	0.405	23%	0.225	S	C	.	.	S	Bend	trans	-134.7	124.9	169.1	179.8	0	0	0	0	108.5	G435	G435-C437 PolarHBondContact O-N 2.8Å; G435-C437 VanDerWaalsContact O-N 3.12Å
438	K	97	Very high	96.7	Very high	90 Å²	90	37.8 Å²	37.8	39%	0.391	20%	0.196	S	C	.	.			trans	-62.7	139.2	176.4	-62.7	-167.7	-177.1	-136.3	0	110.9	V390 E433 E434	V390-K438 HydrophobicContact CB-CB 4.02Å; V390-K438 HydrophobicContact CG2-CB 3.64Å; V390-K438 PolarHBondContact N-O 3.36Å; E433-K438 WeakPolarHBondContact O-CA 3.5Å; E434-K438 VanDerWaalsContact CD-NZ 3.27Å; E434-K438 IonicContact OE1-NZ 3.88Å; E434-K438 PolarHBondContact OE1-NZ 2.91Å; E434-K438 WeakPolarHBondContact OE2-CE 3.1Å; E434-K438 IonicContact OE2-NZ 3.87Å; E434-K438 PolarHBondContact OE2-NZ 3.29Å
439	R	97.3	Very high	96.8	Very high	100 Å²	100	33.7 Å²	33.7	38%	0.377	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.6	179.8	-64.8	172.6	-174.6	-116.1	6.9	111.9	R387 W388 I432 E433	R387-R439 HydrophobicContact CB-CB 4.33Å; R387-R439 PolarHBondContact O-NH1 3.23Å; W388-R439 CarbonylContact O-C 3.48Å; W388-R439 WeakPolarHBondContact O-CA 3.45Å; I432-R439 WeakPolarHBondContact CA-O 3.4Å; E433-R439 HydrophobicContact CB-CB 4.36Å; E433-R439 PolarHBondContact N-O 3.17Å; E433-R439 PolarHBondContact O-N 3.47Å
440	I	98.3	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.6	172.3	-52.9	179.9	0	0	0	107.5	R387 W388 V390 F393 L401 I404 V431 I432 M442	R387-I440 WeakPolarHBondContact CA-O 3.18Å; W388-I440 PolarHBondContact N-O 2.7Å; W388-I440 VanDerWaalsContact N-O 3.11Å; W388-I440 PolarHBondContact O-N 3.45Å; V390-I440 HydrophobicContact CG2-CG1 3.91Å; F393-I440 HydrophobicContact CB-CD1 3.94Å; F393-I440 HydrophobicContact CD1-CD1 3.63Å; F393-I440 HydrophobicContact CD2-CD1 3.71Å; F393-I440 HydrophobicContact CE1-CD1 3.97Å; F393-I440 HydrophobicContact CE2-CD1 4.08Å; F393-I440 HydrophobicContact CG-CD1 3.47Å; F393-I440 VanDerWaalsContact CG-CD1 3.47Å; F393-I440 HydrophobicContact CZ-CD1 4.19Å; L401-I440 HydrophobicContact CD1-CD1 3.86Å; I404-I440 HydrophobicContact CD1-CD1 4.19Å; I404-I440 HydrophobicContact CD1-CG2 4.47Å; I404-I440 HydrophobicContact CG2-CG2 4.14Å; V431-I440 HydrophobicContact CG1-CG2 3.8Å; V431-I440 WeakPolarHBondContact O-CA 3.39Å; I432-I440 HydrophobicContact CD1-CG1 4.1Å; I440-M442 HydrophobicContact CB-SD 4.2Å; I440-M442 HydrophobicContact CG2-SD 3.63Å; I440-M442 PolarHBondContact O-N 2.89Å
441	N	97.9	Very high	96.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	105.4	174	-174.7	-44.5	0	0	0	109.4	V431 E433 A443 H444 L445	V431-N441 PolarHBondContact O-N 3.32Å; E433-N441 HydrophobicContact CG-CB 4.22Å; E433-N441 PolarHBondContact OE1-ND2 3.31Å; N441-A443 VanDerWaalsContact C-N 3.28Å; N441-A443 PolarHBondContact O-N 2.98Å; N441-A443 WeakPolarHBondContact OD1-CB 3.45Å; N441-A443 PolarHBondContact OD1-N 3.47Å; N441-A443 VanDerWaalsContact OD1-N 3.13Å; N441-H444 HydrophobicContact CB-CB 4.2Å; N441-H444 PolarHBondContact ND2-NE2 3.49Å; N441-H444 PolarHBondContact O-N 3.3Å; N441-H444 PolarHBondContact OD1-CD2 3.35Å; N441-H444 PolarHBondContact OD1-N 3Å; N441-L445 PolarHBondContact O-N 3.35Å
442	M	98.3	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-27.2	-174.2	-56	-51.2	-70.7	0	0	112.3	T341 A344 L345 E386 F393 I440 L445 C446	T341-M442 HydrophobicContact CG2-CB 4.26Å; A344-M442 HydrophobicContact CB-CB 4.19Å; A344-M442 HydrophobicContact CB-CE 3.71Å; L345-M442 HydrophobicContact CD2-CE 4.31Å; L345-M442 HydrophobicContact CG-CE 4.35Å; E386-M442 HydrophobicContact CB-CB 4.17Å; E386-M442 HydrophobicContact CB-CG 3.99Å; E386-M442 WeakPolarHBondContact O-CG 3.41Å; E386-M442 PolarHBondContact O-N 3.21Å; E386-M442 VanDerWaalsContact O-N 3.09Å; F393-M442 HydrophobicContact CZ-CE 4.16Å; F393-M442 HydrophobicContact CZ-SD 4.23Å; I440-M442 HydrophobicContact CB-SD 4.2Å; I440-M442 HydrophobicContact CG2-SD 3.63Å; I440-M442 PolarHBondContact O-N 2.89Å; M442-L445 HydrophobicContact CE-CD2 3.88Å; M442-L445 PolarHBondContact O-N 3.42Å; M442-C446 PolarHBondContact O-N 3.02Å; M442-C446 PolarHBondContact O-SG 3.44Å
443	A	97.4	Very high	96.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.1	-42	176.1	0	0	0	0	0	111.5	T341 L385 N441 L445 C446 V447 F469	T341-A443 HydrophobicContact CG2-CB 3.93Å; L385-A443 HydrophobicContact CD2-CB 4.2Å; N441-A443 VanDerWaalsContact C-N 3.28Å; N441-A443 PolarHBondContact O-N 2.98Å; N441-A443 WeakPolarHBondContact OD1-CB 3.45Å; N441-A443 PolarHBondContact OD1-N 3.47Å; N441-A443 VanDerWaalsContact OD1-N 3.13Å; A443-L445 VanDerWaalsContact C-N 3.35Å; A443-C446 WeakPolarHBondContact O-CB 3.46Å; A443-C446 PolarHBondContact O-N 3Å; A443-V447 WeakPolarHBondContact O-CG2 3.36Å; A443-V447 PolarHBondContact O-N 3.47Å; A443-F469 HydrophobicContact CB-CE1 4.02Å; A443-F469 HydrophobicContact CB-CZ 3.84Å
444	H	98.5	Very high	97	Very high	20 Å²	20	33.9 Å²	33.9	9%	0.093	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-44	173.7	-67	-174	0	0	0	110.8	R428 S430 V431 N441 C446 V447 I448 F472	R428-H444 PolarHBondContact O-CE1 3.42Å; S430-H444 PolarHBondContact O-ND1 2.91Å; V431-H444 HydrophobicContact CG2-CB 4.28Å; N441-H444 HydrophobicContact CB-CB 4.2Å; N441-H444 PolarHBondContact ND2-NE2 3.49Å; N441-H444 PolarHBondContact O-N 3.3Å; N441-H444 PolarHBondContact OD1-CD2 3.35Å; N441-H444 PolarHBondContact OD1-N 3Å; H444-C446 VanDerWaalsContact C-N 3.31Å; H444-C446 PolarHBondContact O-N 3.31Å; H444-V447 PolarHBondContact O-N 3.45Å; H444-I448 WeakPolarHBondContact O-CB 3.36Å; H444-I448 WeakPolarHBondContact O-CD1 3.32Å; H444-I448 VanDerWaalsContact O-CG1 3.24Å; H444-I448 WeakPolarHBondContact O-CG1 3.43Å; H444-I448 PolarHBondContact O-N 3.35Å; H444-F472 HydrophobicContact CB-CZ 3.96Å; H444-F472 AromaticContact CD2-CE2 3.59Å; H444-F472 AromaticContact CD2-CZ 3.91Å; H444-F472 AromaticContact CG-CE2 3.87Å; H444-F472 AromaticContact CG-CZ 3.7Å; H444-F472 AromaticContact ND1-CZ 4Å; H444-F472 AromaticContact NE2-CE2 3.79Å
445	L	98.8	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.1	-45.7	174.8	-179.7	62.6	0	0	0	111.7	I347 P348 I404 I407 V431 N441 M442 A443 I448 G449	I347-L445 HydrophobicContact CG2-CD1 4.32Å; P348-L445 HydrophobicContact CG-CD2 4.38Å; I404-L445 HydrophobicContact CD1-CD2 4.24Å; I404-L445 HydrophobicContact CG1-CD1 4.45Å; I404-L445 HydrophobicContact CG1-CD2 4.21Å; I407-L445 HydrophobicContact CD1-CD1 4.26Å; I407-L445 HydrophobicContact CG2-CD1 4.33Å; V431-L445 HydrophobicContact CG1-CB 4.11Å; N441-L445 PolarHBondContact O-N 3.35Å; M442-L445 HydrophobicContact CE-CD2 3.88Å; M442-L445 PolarHBondContact O-N 3.42Å; A443-L445 VanDerWaalsContact C-N 3.35Å; L445-I448 PolarHBondContact O-N 2.89Å; L445-G449 PolarHBondContact O-N 3Å
446	C	98.7	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-47.7	176.7	-79.7	0	0	0	0	113.3	A344 Y375 M442 A443 H444 I448 G449 S450	A344-C446 WeakPolarHBondContact CB-SG 3.44Å; Y375-C446 HydrophobicContact CD1-CB 3.62Å; Y375-C446 HydrophobicContact CD2-CB 3.81Å; Y375-C446 HydrophobicContact CE1-CB 3.98Å; Y375-C446 HydrophobicContact CE2-CB 4.16Å; Y375-C446 HydrophobicContact CG-CB 3.54Å; M442-C446 PolarHBondContact O-N 3.02Å; M442-C446 PolarHBondContact O-SG 3.44Å; A443-C446 WeakPolarHBondContact O-CB 3.46Å; A443-C446 PolarHBondContact O-N 3Å; H444-C446 VanDerWaalsContact C-N 3.31Å; H444-C446 PolarHBondContact O-N 3.31Å; C446-I448 VanDerWaalsContact C-N 3.33Å; C446-I448 PolarHBondContact O-N 3.4Å; C446-G449 PolarHBondContact O-N 3.26Å; C446-S450 WeakPolarHBondContact O-CB 3.34Å; C446-S450 PolarHBondContact O-N 3.08Å; C446-S450 PolarHBondContact O-OG 3.46Å
447	V	98.5	Very high	97.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-42.4	-179.9	172.7	0	0	0	0	110.9	Y375 A443 H444 V453 F469 F472 K479 F480	Y375-V447 HydrophobicContact CD1-CG2 4.12Å; Y375-V447 HydrophobicContact CE1-CG2 4.03Å; A443-V447 WeakPolarHBondContact O-CG2 3.36Å; A443-V447 PolarHBondContact O-N 3.47Å; H444-V447 PolarHBondContact O-N 3.45Å; V447-V453 HydrophobicContact CB-CG2 4.35Å; V447-V453 HydrophobicContact CG1-CG2 4.29Å; V447-V453 HydrophobicContact CG2-CG1 4.36Å; V447-V453 HydrophobicContact CG2-CG2 4.14Å; V447-F469 HydrophobicContact CG2-CD1 4.3Å; V447-F469 HydrophobicContact CG2-CD2 3.96Å; V447-F469 HydrophobicContact CG2-CE1 4.29Å; V447-F469 HydrophobicContact CG2-CE2 3.99Å; V447-F469 HydrophobicContact CG2-CG 4.19Å; V447-F469 HydrophobicContact CG2-CZ 4.18Å; V447-F472 HydrophobicContact CG1-CB 3.74Å; V447-F472 HydrophobicContact CG1-CD1 3.69Å; V447-F472 HydrophobicContact CG1-CD2 4.4Å; V447-F472 HydrophobicContact CG1-CE1 4.41Å; V447-F472 HydrophobicContact CG1-CG 3.69Å; V447-K479 PolarHBondContact O-NZ 3.32Å; V447-F480 HydrophobicContact CG1-CZ 4.09Å
448	I	98.7	Very high	98	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-68.5	-43.6	179.6	-68	163.2	0	0	0	111.2	W366 K370 I407 H411 V431 H444 L445 C446 F472	W366-I448 HydrophobicContact CH2-CG2 4.09Å; W366-I448 HydrophobicContact CZ2-CG2 3.85Å; K370-I448 WeakPolarHBondContact CE-O 3.28Å; I407-I448 HydrophobicContact CG2-CG2 3.9Å; H411-I448 HydrophobicContact CB-CD1 4.29Å; H411-I448 HydrophobicContact CB-CG2 4.22Å; H411-I448 VanDerWaalsContact CD2-CD1 3.4Å; H411-I448 WeakPolarHBondContact CD2-CD1 3.26Å; V431-I448 HydrophobicContact CG2-CD1 3.39Å; H444-I448 WeakPolarHBondContact O-CB 3.36Å; H444-I448 WeakPolarHBondContact O-CD1 3.32Å; H444-I448 VanDerWaalsContact O-CG1 3.24Å; H444-I448 WeakPolarHBondContact O-CG1 3.43Å; H444-I448 PolarHBondContact O-N 3.35Å; L445-I448 PolarHBondContact O-N 2.89Å; C446-I448 VanDerWaalsContact C-N 3.33Å; C446-I448 PolarHBondContact O-N 3.4Å; I448-F472 HydrophobicContact CD1-CE1 4.01Å; I448-F472 HydrophobicContact CG1-CD1 4.45Å; I448-F472 HydrophobicContact CG1-CE1 3.77Å
449	G	98.6	Very high	97.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-87.5	6.1	-174.2	0	0	0	0	0	116.2	L445 C446	L445-G449 PolarHBondContact O-N 3Å; C446-G449 PolarHBondContact O-N 3.26Å
450	S	98.8	Very high	97.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.052	C	C	.	.			trans	-119	148.4	-178.5	-56.7	0	0	0	0	112.3	C373 C446 K479	C373-S450 VanDerWaalsContact O-CA 3.29Å; C373-S450 WeakPolarHBondContact O-CA 3.21Å; C373-S450 WeakPolarHBondContact O-CB 3.45Å; C446-S450 WeakPolarHBondContact O-CB 3.34Å; C446-S450 PolarHBondContact O-N 3.08Å; C446-S450 PolarHBondContact O-OG 3.46Å; S450-K479 WeakPolarHBondContact O-CE 3.28Å; S450-K479 PolarHBondContact O-NZ 2.97Å
451	H	98.8	Very high	97.6	Very high	67 Å²	67	12 Å²	12	31%	0.31	5%	0.053	S	C	.	.	S	Bend	trans	-83.3	-18.1	172.7	69.5	-81.5	0	0	0	113.2	K370 K371 C373 I825	K370-H451 VanDerWaalsContact O-CB 3.3Å; K370-H451 WeakPolarHBondContact O-CB 3.22Å; K370-H451 PolarHBondContact O-N 2.79Å; K370-H451 VanDerWaalsContact O-N 3.08Å; K370-H451 PolarHBondContact O-ND1 3.12Å; K370-H451 VanDerWaalsContact O-ND1 3.11Å; K371-H451 PolarHBondContact O-ND1 2.85Å; C373-H451 PolarHBondContact O-CE1 3.49Å; C373-H451 PolarHBondContact O-N 3.32Å; C373-H451 VanDerWaalsContact O-N 3.09Å; C373-H451 PolarHBondContact O-ND1 3.26Å; H451-I825 PolarHBondContact NE2-O 3.15Å
452	A	98.8	Very high	97.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.008	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.4	177	0	0	0	0	0	110.6	A374 Y375 I825	A374-A452 HydrophobicContact CB-CB 4.2Å; Y375-A452 PolarHBondContact N-O 3.28Å; A452-I825 HydrophobicContact CB-CG1 4.26Å; A452-I825 HydrophobicContact CB-CG2 4Å
453	V	98.8	Very high	97.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.2	174.6	179.4	0	0	0	0	107.6	Y375 V447 K479 F480 Q481	Y375-V453 HydrophobicContact CD1-CG1 3.8Å; Y375-V453 HydrophobicContact CD1-CG2 4.19Å; Y375-V453 HydrophobicContact CE1-CG1 4.19Å; Y375-V453 CarbonylContact O-C 3.5Å; Y375-V453 VanDerWaalsContact O-CA 3.31Å; Y375-V453 WeakPolarHBondContact O-CA 3.49Å; V447-V453 HydrophobicContact CB-CG2 4.35Å; V447-V453 HydrophobicContact CG1-CG2 4.29Å; V447-V453 HydrophobicContact CG2-CG1 4.36Å; V447-V453 HydrophobicContact CG2-CG2 4.14Å; V453-K479 PolarHBondContact N-O 3.3Å; V453-K479 VanDerWaalsContact O-O 3.07Å; V453-F480 HydrophobicContact CB-CD1 4.29Å; V453-F480 HydrophobicContact CB-CE1 4.3Å; V453-F480 HydrophobicContact CG1-CD1 4.16Å; V453-F480 HydrophobicContact CG1-CE1 3.98Å; V453-F480 CarbonylContact O-C 2.99Å; V453-F480 WeakPolarHBondContact O-CA 3.33Å; V453-Q481 PolarHBondContact O-N 3.02Å
454	N	98.6	Very high	97	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.6	179.4	77.5	-86	0	0	0	113.5	Y375 T376 N377 Q481 K483 Y821 I825	Y375-N454 PolarHBondContact O-N 3.01Å; Y375-N454 PolarHBondContact O-OD1 3.46Å; T376-N454 WeakPolarHBondContact CG2-ND2 3.39Å; T376-N454 PolarHBondContact OG1-OD1 2.76Å; N377-N454 PolarHBondContact N-O 3.03Å; N454-Q481 VanDerWaalsContact CA-O 3.28Å; N454-Q481 WeakPolarHBondContact CA-O 3.48Å; N454-Q481 HydrophobicContact CB-CB 4.2Å; N454-K483 HydrophobicContact CB-CG 4.23Å; N454-Y821 PolarHBondContact ND2-OH 3.18Å; N454-I825 HydrophobicContact CB-CD1 4.48Å
455	G	97.5	Very high	96.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.01	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	176.7	161.8	0	0	0	0	0	111.9	H460 S461 Q481 K483	G455-H460 WeakPolarHBondContact CA-ND1 3.43Å; G455-S461 WeakPolarHBondContact CA-OG 3.48Å; G455-S461 PolarHBondContact N-OG 3.47Å; G455-Q481 PolarHBondContact N-O 3.44Å; G455-K483 PolarHBondContact O-N 3.09Å
456	V	97.4	Very high	96.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	11%	0.108	C	C	.	.	S	Bend	trans	-116.6	4.1	-166.1	-67.8	0	0	0	0	115.3	T376 H378 H460 K483 T484 N485 A674 S675	T376-V456 HydrophobicContact CG2-CG1 3.61Å; H378-V456 VanDerWaalsContact CE1-CG1 3.5Å; H378-V456 WeakPolarHBondContact CE1-CG1 3.45Å; V456-H460 PolarHBondContact N-ND1 3.01Å; V456-K483 WeakPolarHBondContact CA-O 3.47Å; V456-T484 WeakPolarHBondContact O-CA 3.23Å; V456-N485 PolarHBondContact O-N 3.19Å; V456-A674 HydrophobicContact CG2-CB 3.66Å; V456-S675 WeakPolarHBondContact O-CB 3.44Å; V456-S675 PolarHBondContact O-OG 3.19Å; V456-S675 VanDerWaalsContact O-OG 3.06Å
457	A	96.3	Very high	96.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-159.3	158.5	167.5	0	0	0	0	0	107.9	I459 H460 S461 N482 A674 E699	A457-I459 PolarHBondContact O-N 3.25Å; A457-H460 HydrophobicContact CB-CB 4.35Å; A457-H460 PolarHBondContact O-N 2.93Å; A457-S461 PolarHBondContact O-N 3.33Å; A457-S461 PolarHBondContact O-OG 3.26Å; A457-S461 VanDerWaalsContact O-OG 3.07Å; A457-N482 PolarHBondContact O-OD1 3.2Å; A457-A674 VanDerWaalsContact CB-O 3.23Å; A457-A674 WeakPolarHBondContact CB-O 3.43Å; A457-E699 WeakPolarHBondContact CA-OE2 3.2Å; A457-E699 WeakPolarHBondContact CB-OE2 3.18Å
458	R	94.9	Very high	95.9	Very high	110 Å²	110	29 Å²	29	42%	0.415	14%	0.143	S	C	.	.	H	α-helix	trans	-56.9	-52.8	-174.9	-171.1	-172.5	-61.8	145	2.1	112	H460 S461 E462 N482 E699 E702	R458-H460 VanDerWaalsContact C-N 3.29Å; R458-H460 PolarHBondContact O-N 3.46Å; R458-S461 PolarHBondContact O-N 2.83Å; R458-E462 PolarHBondContact O-N 3.38Å; R458-N482 PolarHBondContact N-OD1 2.87Å; R458-E699 PolarHBondContact N-OE2 2.72Å; R458-E702 IonicContact CZ-OE2 3.55Å; R458-E702 VanDerWaalsContact NH1-CD 3.26Å; R458-E702 IonicContact NH1-OE1 2.94Å; R458-E702 PolarHBondContact NH1-OE1 2.73Å; R458-E702 IonicContact NH1-OE2 3.48Å; R458-E702 PolarHBondContact NH1-OE2 2.69Å; R458-E702 IonicContact NH2-OE2 3.42Å
459	I	92.3	Very high	95.8	Very high	41 Å²	41	29 Å²	29	21%	0.21	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-41	-179.5	-169.6	169.5	0	0	0	112	A457 E462 I463 V698 V716	A457-I459 PolarHBondContact O-N 3.25Å; I459-E462 PolarHBondContact O-N 3.43Å; I459-I463 HydrophobicContact CG1-CD1 4.21Å; I459-I463 WeakPolarHBondContact O-CG1 3.16Å; I459-I463 PolarHBondContact O-N 3.41Å; I459-V698 HydrophobicContact CD1-CG2 4.25Å; I459-V698 HydrophobicContact CG2-CG2 4.45Å; I459-V716 HydrophobicContact CD1-CG2 3.89Å
460	H	94.8	Very high	95.7	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-45.3	176.6	173.2	-94.4	0	0	0	112	N377 G455 V456 A457 R458 E462 I463 V464 A674	N377-H460 PolarHBondContact O-CE1 3.35Å; N377-H460 VanDerWaalsContact O-CE1 3.32Å; N377-H460 PolarHBondContact OD1-CE1 3Å; N377-H460 PolarHBondContact OD1-NE2 3.36Å; G455-H460 WeakPolarHBondContact CA-ND1 3.43Å; V456-H460 PolarHBondContact N-ND1 3.01Å; A457-H460 HydrophobicContact CB-CB 4.35Å; A457-H460 PolarHBondContact O-N 2.93Å; R458-H460 VanDerWaalsContact C-N 3.29Å; R458-H460 PolarHBondContact O-N 3.46Å; H460-E462 PolarHBondContact O-N 3.03Å; H460-I463 PolarHBondContact O-N 2.89Å; H460-V464 VanDerWaalsContact O-CG2 3.31Å; H460-V464 WeakPolarHBondContact O-CG2 3.07Å; H460-V464 PolarHBondContact O-N 2.76Å; H460-A674 HydrophobicContact CB-CB 4.46Å; H460-A674 WeakPolarHBondContact CB-O 3.47Å; H460-A674 VanDerWaalsContact CD2-CA 3.47Å; H460-A674 WeakPolarHBondContact CD2-CA 3.18Å; H460-A674 WeakPolarHBondContact CD2-CB 3.43Å; H460-A674 WeakPolarHBondContact NE2-CB 3.31Å
461	S	96.4	Very high	95.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-35.1	176.9	-59.9	0	0	0	0	111.9	G455 A457 R458 K465 N482	G455-S461 WeakPolarHBondContact CA-OG 3.48Å; G455-S461 PolarHBondContact N-OG 3.47Å; A457-S461 PolarHBondContact O-N 3.33Å; A457-S461 PolarHBondContact O-OG 3.26Å; A457-S461 VanDerWaalsContact O-OG 3.07Å; R458-S461 PolarHBondContact O-N 2.83Å; S461-K465 VanDerWaalsContact O-CG 3.31Å; S461-K465 WeakPolarHBondContact O-CG 3.22Å; S461-K465 PolarHBondContact O-N 2.85Å; S461-N482 WeakPolarHBondContact OG-CB 3.49Å; S461-N482 PolarHBondContact OG-OD1 3.21Å
462	E	95.3	Very high	95.6	Very high	71 Å²	71	31.5 Å²	31.5	33%	0.332	15%	0.154	S	C	.	.	H	α-helix	trans	-69.5	-43.5	172.8	-65.6	-49.6	125.5	0	0	112.4	R458 I459 H460 V464 K465 Q466	R458-E462 PolarHBondContact O-N 3.38Å; I459-E462 PolarHBondContact O-N 3.43Å; H460-E462 PolarHBondContact O-N 3.03Å; E462-V464 VanDerWaalsContact C-N 3.28Å; E462-V464 PolarHBondContact O-N 2.97Å; E462-K465 PolarHBondContact O-N 3.17Å; E462-K465 VanDerWaalsContact O-N 3.15Å; E462-K465 IonicContact OE1-NZ 3.13Å; E462-K465 PolarHBondContact OE1-NZ 3.29Å; E462-K465 IonicContact OE2-NZ 3.86Å; E462-Q466 WeakPolarHBondContact O-CB 3.3Å; E462-Q466 VanDerWaalsContact O-CG 3.3Å; E462-Q466 WeakPolarHBondContact O-CG 3.27Å; E462-Q466 PolarHBondContact O-N 3.48Å
463	I	92.4	Very high	95.6	Very high	32 Å²	32	35.6 Å²	35.6	16%	0.164	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-42.9	174.6	-68.3	165.4	0	0	0	110.5	V380 I459 H460 K465 Q466 S467	V380-I463 HydrophobicContact CB-CG2 4.35Å; V380-I463 HydrophobicContact CG1-CB 4.46Å; V380-I463 HydrophobicContact CG1-CG2 3.74Å; I459-I463 HydrophobicContact CG1-CD1 4.21Å; I459-I463 WeakPolarHBondContact O-CG1 3.16Å; I459-I463 PolarHBondContact O-N 3.41Å; H460-I463 PolarHBondContact O-N 2.89Å; I463-K465 VanDerWaalsContact C-N 3.32Å; I463-K465 PolarHBondContact O-N 2.98Å; I463-Q466 PolarHBondContact O-N 3.44Å; I463-S467 WeakPolarHBondContact CG2-OG 3.43Å; I463-S467 PolarHBondContact O-N 2.99Å; I463-S467 PolarHBondContact O-OG 3.41Å
464	V	94	Very high	95.5	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	19%	0.188	C	C	.	.	I	π-helix	trans	-58.7	-43.1	177.4	168	0	0	0	0	111.5	V380 H460 E462 F469 F480	V380-V464 HydrophobicContact CG1-CG2 4.44Å; H460-V464 VanDerWaalsContact O-CG2 3.31Å; H460-V464 WeakPolarHBondContact O-CG2 3.07Å; H460-V464 PolarHBondContact O-N 2.76Å; E462-V464 VanDerWaalsContact C-N 3.28Å; E462-V464 PolarHBondContact O-N 2.97Å; V464-F469 HydrophobicContact CG1-CB 4.39Å; V464-F469 HydrophobicContact CG1-CD2 3.41Å; V464-F469 VanDerWaalsContact CG1-CD2 3.41Å; V464-F469 HydrophobicContact CG1-CE2 4.03Å; V464-F469 HydrophobicContact CG1-CG 4.28Å; V464-F469 PolarHBondContact O-N 3.41Å; V464-F480 HydrophobicContact CG1-CD1 4.24Å; V464-F480 HydrophobicContact CG1-CE1 4.15Å
465	K	96.3	Very high	95.5	Very high	30 Å²	30	40.3 Å²	40.3	13%	0.13	19%	0.193	C	C	.	.	I	π-helix	trans	-72.6	-35.3	177.9	-65.8	172.1	-148.3	169.5	0	113.3	S461 E462 I463 K470 Y473 F480	S461-K465 VanDerWaalsContact O-CG 3.31Å; S461-K465 WeakPolarHBondContact O-CG 3.22Å; S461-K465 PolarHBondContact O-N 2.85Å; E462-K465 PolarHBondContact O-N 3.17Å; E462-K465 VanDerWaalsContact O-N 3.15Å; E462-K465 IonicContact OE1-NZ 3.13Å; E462-K465 PolarHBondContact OE1-NZ 3.29Å; E462-K465 IonicContact OE2-NZ 3.86Å; I463-K465 VanDerWaalsContact C-N 3.32Å; I463-K465 PolarHBondContact O-N 2.98Å; K465-K470 VanDerWaalsContact O-CA 3.26Å; K465-K470 WeakPolarHBondContact O-CA 3.49Å; K465-Y473 HydrophobicContact CB-CD1 4.14Å; K465-Y473 HydrophobicContact CB-CD2 4.31Å; K465-Y473 HydrophobicContact CB-CE1 4.48Å; K465-Y473 HydrophobicContact CB-CG 4.05Å; K465-Y473 HydrophobicContact CD-CD2 4.22Å; K465-Y473 HydrophobicContact CD-CE2 3.92Å; K465-Y473 HydrophobicContact CG-CD2 3.92Å; K465-Y473 HydrophobicContact CG-CE2 4.15Å; K465-Y473 HydrophobicContact CG-CG 4.16Å; K465-F480 HydrophobicContact CD-CB 4.38Å; K465-F480 HydrophobicContact CG-CB 4.03Å; K465-F480 HydrophobicContact CG-CD1 4.24Å; K465-F480 HydrophobicContact CG-CG 4.34Å
466	Q	93.8	Very high	95.4	Very high	134 Å²	134	41.7 Å²	41.7	63%	0.626	20%	0.199	S	C	*	.	I	π-helix	trans	-90.5	-21.1	-172	-67.1	176.6	7	0	0	113.4	E462 I463	E462-Q466 WeakPolarHBondContact O-CB 3.3Å; E462-Q466 VanDerWaalsContact O-CG 3.3Å; E462-Q466 WeakPolarHBondContact O-CG 3.27Å; E462-Q466 PolarHBondContact O-N 3.48Å; I463-Q466 PolarHBondContact O-N 3.44Å
467	S	90.4	Very high	95.4	Very high	70 Å²	70	44.6 Å²	44.6	49%	0.49	22%	0.217	S	C	.	.	I	π-helix	trans	-129.4	-75.9	-176.4	66.2	0	0	0	0	112.3	I463 F469 K470	I463-S467 WeakPolarHBondContact CG2-OG 3.43Å; I463-S467 PolarHBondContact O-N 2.99Å; I463-S467 PolarHBondContact O-OG 3.41Å; S467-F469 PolarHBondContact O-N 2.83Å; S467-K470 PolarHBondContact O-N 3.37Å
468	V	90.7	Very high	95.4	Very high	40 Å²	40	51 Å²	51	24%	0.242	25%	0.247	C	C	.	.	I	π-helix	trans	-56.8	-45.6	-166.9	-174.3	0	0	0	0	112.6	V380 L385	V380-V468 HydrophobicContact CB-CG2 4.15Å; V380-V468 HydrophobicContact CG1-CG2 4.11Å; L385-V468 HydrophobicContact CD1-CG1 4.47Å
469	F	96.4	Very high	95.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	30.6	-178.6	-58.5	-40.4	0	0	0	112.3	Y375 N377 A443 V447 V464 S467 D471 F472 Y473 F480	Y375-F469 HydrophobicContact CE1-CE2 4.13Å; Y375-F469 HydrophobicContact CE1-CZ 4.41Å; N377-F469 HydrophobicContact CB-CE2 4.49Å; A443-F469 HydrophobicContact CB-CE1 4.02Å; A443-F469 HydrophobicContact CB-CZ 3.84Å; V447-F469 HydrophobicContact CG2-CD1 4.3Å; V447-F469 HydrophobicContact CG2-CD2 3.96Å; V447-F469 HydrophobicContact CG2-CE1 4.29Å; V447-F469 HydrophobicContact CG2-CE2 3.99Å; V447-F469 HydrophobicContact CG2-CG 4.19Å; V447-F469 HydrophobicContact CG2-CZ 4.18Å; V464-F469 HydrophobicContact CG1-CB 4.39Å; V464-F469 HydrophobicContact CG1-CD2 3.41Å; V464-F469 VanDerWaalsContact CG1-CD2 3.41Å; V464-F469 HydrophobicContact CG1-CE2 4.03Å; V464-F469 HydrophobicContact CG1-CG 4.28Å; V464-F469 PolarHBondContact O-N 3.41Å; S467-F469 PolarHBondContact O-N 2.83Å; F469-D471 VanDerWaalsContact C-N 3.34Å; F469-D471 PolarHBondContact O-N 2.98Å; F469-F472 HydrophobicContact CB-CB 4.29Å; F469-F472 HydrophobicContact CB-CD2 4.2Å; F469-F472 HydrophobicContact CD1-CD2 4.18Å; F469-F472 PolarHBondContact O-N 2.82Å; F469-Y473 PolarHBondContact O-N 2.87Å; F469-F480 HydrophobicContact CB-CE1 3.68Å; F469-F480 HydrophobicContact CB-CZ 3.83Å; F469-F480 AromaticContact CD2-CE1 3.98Å; F469-F480 HydrophobicContact CD2-CE1 3.98Å; F469-F480 HydrophobicContact CG-CE1 4.28Å
470	K	97.3	Very high	95.9	Very high	91 Å²	91	45 Å²	45	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-50.2	-50.7	-178.5	179.5	-179.6	175.8	-70	0	113.2	K465 S467 F472 Y473 E474	K465-K470 VanDerWaalsContact O-CA 3.26Å; K465-K470 WeakPolarHBondContact O-CA 3.49Å; S467-K470 PolarHBondContact O-N 3.37Å; K470-F472 VanDerWaalsContact C-N 3.28Å; K470-F472 PolarHBondContact O-N 3.31Å; K470-Y473 PolarHBondContact O-N 2.94Å; K470-E474 WeakPolarHBondContact CE-OE1 3.48Å; K470-E474 IonicContact NZ-OE1 2.63Å; K470-E474 PolarHBondContact NZ-OE1 2.76Å; K470-E474 WeakPolarHBondContact O-CG 3.34Å; K470-E474 PolarHBondContact O-N 3.25Å
471	D	97.9	Very high	96	Very high	23 Å²	23	47 Å²	47	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-31.4	-177.8	-66.5	-32	0	0	0	112.3	R425 R428 M429 F469 L475	R425-D471 IonicContact CZ-OD1 3.71Å; R425-D471 IonicContact NH1-OD1 2.69Å; R425-D471 PolarHBondContact NH1-OD1 3.19Å; R425-D471 IonicContact NH2-OD1 3.68Å; R428-D471 IonicContact CZ-OD2 2.91Å; R428-D471 VanDerWaalsContact CZ-OD2 3.3Å; R428-D471 IonicContact NE-OD2 2.75Å; R428-D471 PolarHBondContact NE-OD2 2.67Å; R428-D471 IonicContact NH2-OD1 2.83Å; R428-D471 PolarHBondContact NH2-OD1 3.17Å; R428-D471 VanDerWaalsContact NH2-OD1 3.15Å; R428-D471 IonicContact NH2-OD2 3.56Å; R428-D471 PolarHBondContact NH2-OD2 3.04Å; M429-D471 HydrophobicContact CE-CB 4.4Å; M429-D471 WeakPolarHBondContact CE-O 3.44Å; M429-D471 HydrophobicContact CG-CB 3.64Å; M429-D471 HydrophobicContact SD-CB 3.71Å; F469-D471 VanDerWaalsContact C-N 3.34Å; F469-D471 PolarHBondContact O-N 2.98Å; D471-L475 PolarHBondContact O-N 2.57Å
472	F	98.3	Very high	96.1	Very high	5 Å²	5	49 Å²	49	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-74.8	-36.2	174.6	-66	-81.3	0	0	0	112.5	H411 M429 H444 V447 I448 F469 K470 E474 L475 E476 F480	H411-F472 AromaticContact NE2-CE1 3.63Å; M429-F472 HydrophobicContact CB-CE1 4.3Å; M429-F472 HydrophobicContact CB-CZ 4.1Å; M429-F472 HydrophobicContact CE-CB 4.5Å; M429-F472 HydrophobicContact CE-CD1 3.59Å; M429-F472 HydrophobicContact CE-CE1 3.88Å; M429-F472 HydrophobicContact CE-CG 4.02Å; M429-F472 HydrophobicContact CG-CZ 4.44Å; H444-F472 HydrophobicContact CB-CZ 3.96Å; H444-F472 AromaticContact CD2-CE2 3.59Å; H444-F472 AromaticContact CD2-CZ 3.91Å; H444-F472 AromaticContact CG-CE2 3.87Å; H444-F472 AromaticContact CG-CZ 3.7Å; H444-F472 AromaticContact ND1-CZ 4Å; H444-F472 AromaticContact NE2-CE2 3.79Å; V447-F472 HydrophobicContact CG1-CB 3.74Å; V447-F472 HydrophobicContact CG1-CD1 3.69Å; V447-F472 HydrophobicContact CG1-CD2 4.4Å; V447-F472 HydrophobicContact CG1-CE1 4.41Å; V447-F472 HydrophobicContact CG1-CG 3.69Å; I448-F472 HydrophobicContact CD1-CE1 4.01Å; I448-F472 HydrophobicContact CG1-CD1 4.45Å; I448-F472 HydrophobicContact CG1-CE1 3.77Å; F469-F472 HydrophobicContact CB-CB 4.29Å; F469-F472 HydrophobicContact CB-CD2 4.2Å; F469-F472 HydrophobicContact CD1-CD2 4.18Å; F469-F472 PolarHBondContact O-N 2.82Å; K470-F472 VanDerWaalsContact C-N 3.28Å; K470-F472 PolarHBondContact O-N 3.31Å; F472-E474 VanDerWaalsContact C-N 3.34Å; F472-L475 PolarHBondContact O-N 3.13Å; F472-E476 PolarHBondContact O-N 3.45Å; F472-F480 HydrophobicContact CB-CE2 4.22Å; F472-F480 HydrophobicContact CB-CZ 3.85Å
473	Y	98.1	Very high	96.3	Very high	88 Å²	88	45.7 Å²	45.7	35%	0.345	23%	0.227	S	C	.	.	H	α-helix	trans	-66.4	-36.6	174.5	176.1	-109.7	0	0	0	111.9	K465 F469 K470 L475 P477 F480	K465-Y473 HydrophobicContact CB-CD1 4.14Å; K465-Y473 HydrophobicContact CB-CD2 4.31Å; K465-Y473 HydrophobicContact CB-CE1 4.48Å; K465-Y473 HydrophobicContact CB-CG 4.05Å; K465-Y473 HydrophobicContact CD-CD2 4.22Å; K465-Y473 HydrophobicContact CD-CE2 3.92Å; K465-Y473 HydrophobicContact CG-CD2 3.92Å; K465-Y473 HydrophobicContact CG-CE2 4.15Å; K465-Y473 HydrophobicContact CG-CG 4.16Å; F469-Y473 PolarHBondContact O-N 2.87Å; K470-Y473 PolarHBondContact O-N 2.94Å; Y473-L475 PolarHBondContact O-N 2.95Å; Y473-P477 HydrophobicContact CD2-CB 4.12Å; Y473-P477 HydrophobicContact CE2-CB 3.75Å; Y473-P477 VanDerWaalsContact O-CA 3.24Å; Y473-P477 WeakPolarHBondContact O-CA 3.35Å; Y473-P477 WeakPolarHBondContact O-CB 3.48Å; Y473-P477 WeakPolarHBondContact O-CD 3.49Å; Y473-F480 HydrophobicContact CD2-CB 3.81Å; Y473-F480 AromaticContact CD2-CD2 3.7Å; Y473-F480 HydrophobicContact CD2-CD2 3.7Å; Y473-F480 HydrophobicContact CD2-CE2 4.46Å; Y473-F480 AromaticContact CD2-CG 3.81Å; Y473-F480 HydrophobicContact CD2-CG 3.81Å; Y473-F480 HydrophobicContact CE2-CB 4.22Å; Y473-F480 HydrophobicContact CG-CD2 4.39Å
474	E	97.4	Very high	96.6	Very high	79 Å²	79	44.4 Å²	44.4	37%	0.369	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-27.6	172.5	-72.2	173.5	-175.4	0	0	113	R425 K470 F472	R425-E474 IonicContact CZ-OE2 3.84Å; R425-E474 VanDerWaalsContact CZ-OE2 3.22Å; R425-E474 IonicContact NH1-OE2 2.94Å; R425-E474 PolarHBondContact NH1-OE2 2.83Å; R425-E474 IonicContact NH2-OE2 3.85Å; R425-E474 PolarHBondContact NH2-OE2 2.92Å; K470-E474 WeakPolarHBondContact CE-OE1 3.48Å; K470-E474 IonicContact NZ-OE1 2.63Å; K470-E474 PolarHBondContact NZ-OE1 2.76Å; K470-E474 WeakPolarHBondContact O-CG 3.34Å; K470-E474 PolarHBondContact O-N 3.25Å; F472-E474 VanDerWaalsContact C-N 3.34Å
475	L	96.9	Very high	96.8	Very high	21 Å²	21	44.6 Å²	44.6	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-81.6	-49.6	178.7	-176.8	76.1	0	0	0	112.6	V415 L418 F419 M429 D471 F472 Y473	V415-L475 HydrophobicContact CG2-CD1 4.4Å; V415-L475 HydrophobicContact CG2-CD2 4.06Å; L418-L475 HydrophobicContact CD1-CD1 3.49Å; L418-L475 VanDerWaalsContact CD1-CD1 3.49Å; F419-L475 HydrophobicContact CD2-CD1 4.48Å; F419-L475 HydrophobicContact CE2-CD1 3.75Å; M429-L475 HydrophobicContact CE-CB 4.12Å; M429-L475 HydrophobicContact CE-CD2 3.79Å; M429-L475 HydrophobicContact CE-CG 4.49Å; D471-L475 PolarHBondContact O-N 2.57Å; F472-L475 PolarHBondContact O-N 3.13Å; Y473-L475 PolarHBondContact O-N 2.95Å
476	E	96.8	Very high	96.8	Very high	30 Å²	30	43.2 Å²	43.2	14%	0.14	22%	0.216	C	C	.	.			trans	-135.5	71.2	-174.1	-71.4	170.4	116	0	0	110.1	K370 F472 E478 K479	K370-E476 IonicContact NZ-OE1 2.64Å; F472-E476 PolarHBondContact O-N 3.45Å; E476-E478 VanDerWaalsContact C-N 3.29Å; E476-E478 PolarHBondContact O-N 3.4Å; E476-K479 HydrophobicContact CB-CD 3.77Å; E476-K479 HydrophobicContact CB-CG 3.99Å; E476-K479 HydrophobicContact CG-CD 4.41Å; E476-K479 WeakPolarHBondContact O-CB 3.33Å; E476-K479 PolarHBondContact O-N 3.11Å; E476-K479 WeakPolarHBondContact OE1-CE 3.37Å; E476-K479 IonicContact OE1-NZ 2.74Å; E476-K479 PolarHBondContact OE1-NZ 3.13Å; E476-K479 VanDerWaalsContact OE2-CE 3.31Å; E476-K479 WeakPolarHBondContact OE2-CE 3.32Å; E476-K479 IonicContact OE2-NZ 3.98Å; E476-K479 PolarHBondContact OE2-NZ 3.17Å
477	P	97.1	Very high	97.1	Very high	61 Å²	61	36.9 Å²	36.9	40%	0.396	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-62.4	-32.9	-171.6	23.4	-33.8	0	0	0	113.7	Y473 K479 F480	Y473-P477 HydrophobicContact CD2-CB 4.12Å; Y473-P477 HydrophobicContact CE2-CB 3.75Å; Y473-P477 VanDerWaalsContact O-CA 3.24Å; Y473-P477 WeakPolarHBondContact O-CA 3.35Å; Y473-P477 WeakPolarHBondContact O-CB 3.48Å; Y473-P477 WeakPolarHBondContact O-CD 3.49Å; P477-K479 PolarHBondContact O-N 3.09Å; P477-F480 PolarHBondContact O-N 3.46Å
478	E	96.9	Very high	97.5	Very high	134 Å²	134	33.6 Å²	33.6	63%	0.626	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-64.5	-19.3	-179.4	71.1	-71.1	167.2	0	0	113.9	E476 F480	E476-E478 VanDerWaalsContact C-N 3.29Å; E476-E478 PolarHBondContact O-N 3.4Å; E478-F480 VanDerWaalsContact C-N 3.32Å; E478-F480 PolarHBondContact O-N 2.98Å
479	K	97.6	Very high	97.8	Very high	10 Å²	10	31.7 Å²	31.7	4%	0.043	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-69.1	-29.8	176.3	-72.6	-173.8	170.6	178.2	0	113.1	V447 S450 V453 E476 P477 Q481	V447-K479 PolarHBondContact O-NZ 3.32Å; S450-K479 WeakPolarHBondContact O-CE 3.28Å; S450-K479 PolarHBondContact O-NZ 2.97Å; V453-K479 PolarHBondContact N-O 3.3Å; V453-K479 VanDerWaalsContact O-O 3.07Å; E476-K479 HydrophobicContact CB-CD 3.77Å; E476-K479 HydrophobicContact CB-CG 3.99Å; E476-K479 HydrophobicContact CG-CD 4.41Å; E476-K479 WeakPolarHBondContact O-CB 3.33Å; E476-K479 PolarHBondContact O-N 3.11Å; E476-K479 WeakPolarHBondContact OE1-CE 3.37Å; E476-K479 IonicContact OE1-NZ 2.74Å; E476-K479 PolarHBondContact OE1-NZ 3.13Å; E476-K479 VanDerWaalsContact OE2-CE 3.31Å; E476-K479 WeakPolarHBondContact OE2-CE 3.32Å; E476-K479 IonicContact OE2-NZ 3.98Å; E476-K479 PolarHBondContact OE2-NZ 3.17Å; P477-K479 PolarHBondContact O-N 3.09Å; K479-Q481 PolarHBondContact O-N 3.4Å
480	F	98.5	Very high	97.9	Very high	17 Å²	17	31.6 Å²	31.6	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.9	-165.6	-72.9	-97.2	0	0	0	112.1	V447 V453 V464 K465 F469 F472 Y473 P477 E478	V447-F480 HydrophobicContact CG1-CZ 4.09Å; V453-F480 HydrophobicContact CB-CD1 4.29Å; V453-F480 HydrophobicContact CB-CE1 4.3Å; V453-F480 HydrophobicContact CG1-CD1 4.16Å; V453-F480 HydrophobicContact CG1-CE1 3.98Å; V453-F480 CarbonylContact O-C 2.99Å; V453-F480 WeakPolarHBondContact O-CA 3.33Å; V464-F480 HydrophobicContact CG1-CD1 4.24Å; V464-F480 HydrophobicContact CG1-CE1 4.15Å; K465-F480 HydrophobicContact CD-CB 4.38Å; K465-F480 HydrophobicContact CG-CB 4.03Å; K465-F480 HydrophobicContact CG-CD1 4.24Å; K465-F480 HydrophobicContact CG-CG 4.34Å; F469-F480 HydrophobicContact CB-CE1 3.68Å; F469-F480 HydrophobicContact CB-CZ 3.83Å; F469-F480 AromaticContact CD2-CE1 3.98Å; F469-F480 HydrophobicContact CD2-CE1 3.98Å; F469-F480 HydrophobicContact CG-CE1 4.28Å; F472-F480 HydrophobicContact CB-CE2 4.22Å; F472-F480 HydrophobicContact CB-CZ 3.85Å; Y473-F480 HydrophobicContact CD2-CB 3.81Å; Y473-F480 AromaticContact CD2-CD2 3.7Å; Y473-F480 HydrophobicContact CD2-CD2 3.7Å; Y473-F480 HydrophobicContact CD2-CE2 4.46Å; Y473-F480 AromaticContact CD2-CG 3.81Å; Y473-F480 HydrophobicContact CD2-CG 3.81Å; Y473-F480 HydrophobicContact CE2-CB 4.22Å; Y473-F480 HydrophobicContact CG-CD2 4.39Å; P477-F480 PolarHBondContact O-N 3.46Å; E478-F480 VanDerWaalsContact C-N 3.32Å; E478-F480 PolarHBondContact O-N 2.98Å
481	Q	98.4	Very high	98	Very high	45 Å²	45	27.6 Å²	27.6	21%	0.21	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	171.6	-178.1	-57.5	-173	14.8	0	0	112.2	V453 N454 G455 K479 E824	V453-Q481 PolarHBondContact O-N 3.02Å; N454-Q481 VanDerWaalsContact CA-O 3.28Å; N454-Q481 WeakPolarHBondContact CA-O 3.48Å; N454-Q481 HydrophobicContact CB-CB 4.2Å; G455-Q481 PolarHBondContact N-O 3.44Å; K479-Q481 PolarHBondContact O-N 3.4Å; Q481-E824 PolarHBondContact NE2-O 2.73Å; Q481-E824 VanDerWaalsContact NE2-O 3.17Å
482	N	98.4	Very high	98	Very high	44 Å²	44	26.5 Å²	26.5	24%	0.235	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.7	166.1	176.7	66.6	0	0	0	109.4	A457 R458 S461 T484	A457-N482 PolarHBondContact O-OD1 3.2Å; R458-N482 PolarHBondContact N-OD1 2.87Å; S461-N482 WeakPolarHBondContact OG-CB 3.49Å; S461-N482 PolarHBondContact OG-OD1 3.21Å; N482-T484 PolarHBondContact ND2-OG1 3.26Å
483	K	98.4	Very high	98.1	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	13%	0.127	C	C	.	.			trans	-137.2	89.5	166	-62.7	-71.3	174.7	-79.3	0	108.3	N454 G455 V456 N485 E820 Y821 E824 I825	N454-K483 HydrophobicContact CB-CG 4.23Å; G455-K483 PolarHBondContact O-N 3.09Å; V456-K483 WeakPolarHBondContact CA-O 3.47Å; K483-N485 PolarHBondContact O-N 2.74Å; K483-E820 HydrophobicContact CD-CB 3.48Å; K483-E820 VanDerWaalsContact CD-CB 3.48Å; K483-E820 VanDerWaalsContact CE-C 3.45Å; K483-E820 VanDerWaalsContact CE-O 3.32Å; K483-E820 WeakPolarHBondContact CE-O 3.48Å; K483-Y821 HydrophobicContact CB-CD2 3.97Å; K483-Y821 HydrophobicContact CB-CE1 4.39Å; K483-Y821 HydrophobicContact CB-CE2 3.31Å; K483-Y821 HydrophobicContact CD-CD2 4.04Å; K483-Y821 HydrophobicContact CD-CE2 4.26Å; K483-Y821 HydrophobicContact CD-CG 4.3Å; K483-Y821 HydrophobicContact CG-CD1 4.32Å; K483-Y821 HydrophobicContact CG-CD2 3.92Å; K483-Y821 HydrophobicContact CG-CE1 4.08Å; K483-Y821 HydrophobicContact CG-CE2 3.67Å; K483-Y821 HydrophobicContact CG-CG 4.24Å; K483-E824 IonicContact NZ-OE2 3.86Å; K483-E824 PolarHBondContact NZ-OE2 2.78Å; K483-I825 HydrophobicContact CG-CD1 4.11Å
484	T	98.2	Very high	98	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.025	11%	0.112	C	C	.	.			trans	-56.3	130.1	-179.7	-59.2	0	0	0	0	109.2	V456 N482 E699 R816 T817	V456-T484 WeakPolarHBondContact O-CA 3.23Å; N482-T484 PolarHBondContact ND2-OG1 3.26Å; T484-E699 WeakPolarHBondContact CG2-OE1 3.49Å; T484-E699 VanDerWaalsContact CG2-OE2 3.24Å; T484-E699 WeakPolarHBondContact CG2-OE2 3.42Å; T484-E699 PolarHBondContact OG1-OE1 3.4Å; T484-E699 PolarHBondContact OG1-OE2 2.83Å; T484-E699 VanDerWaalsContact OG1-OE2 3.08Å; T484-R816 PolarHBondContact O-NH1 3.18Å; T484-R816 PolarHBondContact O-NH2 2.61Å; T484-R816 VanDerWaalsContact O-NH2 3.12Å; T484-T817 WeakPolarHBondContact O-CG2 3.34Å; T484-T817 PolarHBondContact O-OG1 3.48Å
485	N	98.2	Very high	98	Very high	8 Å²	8	19 Å²	19	4%	0.043	10%	0.097	C	C	.	.			trans	-55.4	166.1	178.7	-76.6	-19.8	0	0	0	112.8	L140 V456 K483 S675 T677 M680 R816	L140-N485 HydrophobicContact CD1-CB 3.96Å; L140-N485 VanDerWaalsContact CD2-OD1 3.25Å; L140-N485 WeakPolarHBondContact CD2-OD1 3.24Å; V456-N485 PolarHBondContact O-N 3.19Å; K483-N485 PolarHBondContact O-N 2.74Å; N485-S675 WeakPolarHBondContact ND2-CB 3.13Å; N485-S675 PolarHBondContact ND2-OG 3.18Å; N485-T677 HydrophobicContact CB-CG2 3.97Å; N485-M680 HydrophobicContact CB-CE 4.08Å; N485-M680 WeakPolarHBondContact O-CE 3.41Å; N485-R816 PolarHBondContact O-NH2 2.86Å
486	G	98.3	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.			trans	-152.9	169.1	174.3	0	0	0	0	0	111.8	F812 T817	G486-F812 CarbonylContact C-O 3.55Å; G486-F812 WeakPolarHBondContact CA-O 3Å; G486-T817 PolarHBondContact N-OG1 3.33Å
487	I	98.8	Very high	98.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-122.9	148.1	177.5	59.5	170.2	0	0	0	110.1	P489 W492 M680 K681 L684 F812 S813 S814	I487-P489 WeakPolarHBondContact O-CD 3.26Å; I487-W492 HydrophobicContact CB-CG 4.43Å; I487-W492 HydrophobicContact CD1-CB 4.01Å; I487-W492 HydrophobicContact CD1-CG 4.39Å; I487-M680 HydrophobicContact CD1-CB 3.88Å; I487-M680 HydrophobicContact CG1-CB 4.14Å; I487-M680 HydrophobicContact CG2-CB 4.26Å; I487-M680 HydrophobicContact CG2-SD 4.43Å; I487-K681 HydrophobicContact CB-CG 4.49Å; I487-K681 VanDerWaalsContact CD1-CA 3.46Å; I487-K681 HydrophobicContact CD1-CB 4.04Å; I487-K681 HydrophobicContact CD1-CG 3.56Å; I487-K681 HydrophobicContact CG2-CG 4Å; I487-L684 HydrophobicContact CD1-CD2 4.08Å; I487-F812 PolarHBondContact N-O 2.98Å; I487-S813 WeakPolarHBondContact O-CA 3.3Å; I487-S814 VanDerWaalsContact C-OG 3.25Å; I487-S814 PolarHBondContact O-N 2.76Å; I487-S814 PolarHBondContact O-OG 2.86Å
488	T	98.8	Very high	98.1	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.081	C	C	.	.			trans	-73.5	124.4	175.7	166.8	0	0	0	0	110.6	C143 D146 R490 R491 W492 S814	C143-T488 HydrophobicContact CB-CG2 4.15Å; D146-T488 HydrophobicContact CB-CG2 4.44Å; D146-T488 VanDerWaalsContact OD2-CB 3.27Å; D146-T488 WeakPolarHBondContact OD2-CB 3.41Å; D146-T488 PolarHBondContact OD2-OG1 3.34Å; T488-R490 PolarHBondContact O-N 3.07Å; T488-R490 PolarHBondContact OG1-N 3.01Å; T488-R490 PolarHBondContact OG1-NE 3.5Å; T488-R490 PolarHBondContact OG1-NH2 2.98Å; T488-R491 HydrophobicContact CG2-CB 3.95Å; T488-W492 WeakPolarHBondContact O-CB 3.33Å; T488-W492 VanDerWaalsContact O-CD1 3.3Å; T488-W492 PolarHBondContact O-N 2.96Å; T488-W492 VanDerWaalsContact O-N 3.11Å; T488-S814 WeakPolarHBondContact CA-OG 3.42Å; T488-S814 PolarHBondContact N-OG 3.28Å; T488-S814 VanDerWaalsContact N-OG 3.13Å
489	P	98.3	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.8	-17.4	174.1	27.4	-35.3	0	0	0	113.1	I487 L493 L494 L516	I487-P489 WeakPolarHBondContact O-CD 3.26Å; P489-L493 WeakPolarHBondContact O-CB 3.25Å; P489-L493 PolarHBondContact O-N 3.31Å; P489-L493 VanDerWaalsContact O-N 3.12Å; P489-L494 PolarHBondContact O-N 3.07Å; P489-L516 HydrophobicContact CB-CD1 3.71Å; P489-L516 HydrophobicContact CB-CD2 4.29Å; P489-L516 HydrophobicContact CG-CD1 4.2Å
490	R	98.4	Very high	98.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-64.2	-53.2	177.2	-75.5	70.7	63.4	-176.4	3.1	110.7	D146 S147 Y234 T488 L494 L495 D815	D146-R490 IonicContact OD2-CZ 3.27Å; D146-R490 IonicContact OD2-NE 3.25Å; D146-R490 PolarHBondContact OD2-NE 3.01Å; D146-R490 IonicContact OD2-NH2 3.95Å; D146-R490 PolarHBondContact OD2-NH2 2.89Å; S147-R490 PolarHBondContact OG-NH2 3.29Å; Y234-R490 HydrophobicContact CD2-CG 3.53Å; Y234-R490 HydrophobicContact CE2-CG 4.29Å; Y234-R490 HydrophobicContact CG-CG 3.8Å; T488-R490 PolarHBondContact O-N 3.07Å; T488-R490 PolarHBondContact OG1-N 3.01Å; T488-R490 PolarHBondContact OG1-NE 3.5Å; T488-R490 PolarHBondContact OG1-NH2 2.98Å; R490-L494 WeakPolarHBondContact O-CB 3.28Å; R490-L494 PolarHBondContact O-N 3.33Å; R490-L495 VanDerWaalsContact O-CB 3.28Å; R490-L495 WeakPolarHBondContact O-CB 3.3Å; R490-L495 PolarHBondContact O-N 2.98Å; R490-D815 IonicContact CZ-OD1 2.72Å; R490-D815 IonicContact CZ-OD2 3.92Å; R490-D815 VanDerWaalsContact NH1-CG 3.3Å; R490-D815 IonicContact NH1-OD1 3.42Å; R490-D815 PolarHBondContact NH1-OD1 3.19Å; R490-D815 IonicContact NH1-OD2 3.83Å; R490-D815 PolarHBondContact NH1-OD2 3.19Å; R490-D815 IonicContact NH2-OD1 2.66Å; R490-D815 PolarHBondContact NH2-OD1 3.37Å; R490-D815 IonicContact NH2-OD2 3.64Å
491	R	98.6	Very high	98.1	Very high	7 Å²	7	9.8 Å²	9.8	3%	0.026	6%	0.059	C	C	.	.	I	π-helix	trans	-76.7	-44.4	178.1	-174	170.1	-68.8	-94.2	5.3	112.3	R94 T488 L493 L495 C496 E655	R94-R491 PolarHBondContact O-NH1 2.63Å; R94-R491 PolarHBondContact O-NH2 2.75Å; T488-R491 HydrophobicContact CG2-CB 3.95Å; R491-L493 PolarHBondContact O-N 3.23Å; R491-L495 HydrophobicContact CG-CD1 4.47Å; R491-C496 PolarHBondContact O-N 3.27Å; R491-C496 PolarHBondContact O-SG 3.48Å; R491-C496 VanDerWaalsContact O-SG 3.4Å; R491-E655 VanDerWaalsContact CD-OE1 3.25Å; R491-E655 WeakPolarHBondContact CD-OE1 3.35Å; R491-E655 WeakPolarHBondContact CG-OE1 3.49Å; R491-E655 IonicContact CZ-OE1 3.91Å; R491-E655 IonicContact NE-OE1 2.82Å; R491-E655 IonicContact NH1-OE1 3.56Å; R491-E655 PolarHBondContact NH1-OE1 3.41Å
492	W	98.7	Very high	98	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-92.8	12	-167.5	-59.8	111	0	0	0	114.7	R139 I487 T488 V651 A654 E655 I658 K681 N685	R139-W492 HydrophobicContact CG-CZ2 4.07Å; I487-W492 HydrophobicContact CB-CG 4.43Å; I487-W492 HydrophobicContact CD1-CB 4.01Å; I487-W492 HydrophobicContact CD1-CG 4.39Å; T488-W492 WeakPolarHBondContact O-CB 3.33Å; T488-W492 VanDerWaalsContact O-CD1 3.3Å; T488-W492 PolarHBondContact O-N 2.96Å; T488-W492 VanDerWaalsContact O-N 3.11Å; W492-V651 HydrophobicContact CH2-CG1 4.09Å; W492-V651 HydrophobicContact CZ2-CG1 4.4Å; W492-A654 HydrophobicContact CH2-CB 3.96Å; W492-A654 HydrophobicContact CZ3-CB 3.95Å; W492-E655 HydrophobicContact CH2-CG 4.42Å; W492-E655 HydrophobicContact CZ3-CG 4Å; W492-I658 HydrophobicContact CE3-CD1 4.15Å; W492-I658 HydrophobicContact CZ3-CD1 3.85Å; W492-K681 HydrophobicContact CB-CG 4.31Å; W492-K681 HydrophobicContact CD2-CD 3.64Å; W492-K681 HydrophobicContact CD2-CG 3.86Å; W492-K681 VanDerWaalsContact CE2-CE 3.43Å; W492-K681 HydrophobicContact CE3-CD 3.69Å; W492-K681 HydrophobicContact CE3-CG 4.11Å; W492-K681 HydrophobicContact CG-CD 4.24Å; W492-K681 HydrophobicContact CG-CG 3.95Å; W492-K681 HydrophobicContact CH2-CD 4.14Å; W492-K681 HydrophobicContact CZ2-CD 4.08Å; W492-K681 HydrophobicContact CZ3-CD 3.94Å; W492-N685 PolarHBondContact O-ND2 3.2Å
493	L	98.6	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-146.8	-60.7	167.5	176.5	60.9	0	0	0	110.7	P489 R491 L495 N497 L500 A501 I504 F512 L684	P489-L493 WeakPolarHBondContact O-CB 3.25Å; P489-L493 PolarHBondContact O-N 3.31Å; P489-L493 VanDerWaalsContact O-N 3.12Å; R491-L493 PolarHBondContact O-N 3.23Å; L493-L495 PolarHBondContact O-N 3.12Å; L493-N497 HydrophobicContact CD1-CB 4.39Å; L493-N497 CarbonylContact O-C 3.23Å; L493-N497 VanDerWaalsContact O-CA 3.29Å; L493-N497 WeakPolarHBondContact O-CA 3.44Å; L493-N497 PolarHBondContact O-N 3.32Å; L493-L500 HydrophobicContact CD1-CB 4.21Å; L493-L500 HydrophobicContact CD1-CD2 3.82Å; L493-L500 HydrophobicContact CD1-CG 4.04Å; L493-A501 HydrophobicContact CG-CB 4.38Å; L493-I504 HydrophobicContact CD2-CD1 4.33Å; L493-F512 HydrophobicContact CD2-CD2 4.48Å; L493-F512 HydrophobicContact CD2-CE2 3.7Å; L493-L684 HydrophobicContact CB-CD2 3.89Å; L493-L684 HydrophobicContact CB-CG 4.15Å; L493-L684 HydrophobicContact CD2-CD1 3.98Å; L493-L684 HydrophobicContact CD2-CG 4.24Å
494	L	97.1	Very high	97.9	Very high	7 Å²	7	8 Å²	8	4%	0.037	5%	0.051	C	C	.	.	I	π-helix	trans	-63.2	-43.8	-173.2	178.9	62.1	0	0	0	112.9	V16 V101 Y234 P489 R490 A501 L513	V16-L494 HydrophobicContact CB-CD1 4.21Å; V16-L494 HydrophobicContact CG2-CD1 3.3Å; V101-L494 HydrophobicContact CG1-CD2 3.47Å; V101-L494 VanDerWaalsContact CG1-CD2 3.47Å; V101-L494 HydrophobicContact CG1-CG 4Å; Y234-L494 HydrophobicContact CD2-CD2 4.47Å; Y234-L494 HydrophobicContact CE2-CD2 3.52Å; P489-L494 PolarHBondContact O-N 3.07Å; R490-L494 WeakPolarHBondContact O-CB 3.28Å; R490-L494 PolarHBondContact O-N 3.33Å; L494-A501 HydrophobicContact CD1-CB 4.17Å; L494-L513 HydrophobicContact CB-CD2 4.06Å; L494-L513 HydrophobicContact CD1-CD1 4.33Å; L494-L513 HydrophobicContact CD1-CD2 4.19Å; L494-L513 HydrophobicContact CD2-CD1 4.17Å; L494-L513 HydrophobicContact CD2-CD2 4.12Å; L494-L513 HydrophobicContact CG-CD2 4.37Å
495	L	96.9	Very high	97.8	Very high	8 Å²	8	9 Å²	9	4%	0.042	6%	0.058	C	C	.	.	I	π-helix	trans	-75.8	-56.1	178.2	-178.1	157.9	0	0	0	111.6	Q97 N98 R490 R491 L493 E655	Q97-L495 HydrophobicContact CB-CD1 4.08Å; Q97-L495 HydrophobicContact CB-CG 4.4Å; Q97-L495 HydrophobicContact CG-CD1 4.04Å; Q97-L495 HydrophobicContact CG-CG 3.88Å; Q97-L495 VanDerWaalsContact OE1-CG 3.22Å; N98-L495 HydrophobicContact CB-CD1 3.86Å; R490-L495 VanDerWaalsContact O-CB 3.28Å; R490-L495 WeakPolarHBondContact O-CB 3.3Å; R490-L495 PolarHBondContact O-N 2.98Å; R491-L495 HydrophobicContact CG-CD1 4.47Å; L493-L495 PolarHBondContact O-N 3.12Å; L495-E655 HydrophobicContact CD2-CG 4.45Å
496	C	97.9	Very high	97.7	Very high	18 Å²	18	15.1 Å²	15.1	12%	0.122	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-21.5	-170.6	69.3	0	0	0	0	114.4	R491 E655 P659	R491-C496 PolarHBondContact O-N 3.27Å; R491-C496 PolarHBondContact O-SG 3.48Å; R491-C496 VanDerWaalsContact O-SG 3.4Å; C496-E655 HydrophobicContact CB-CB 4.01Å; C496-E655 HydrophobicContact CB-CG 4.21Å; C496-E655 WeakPolarHBondContact CB-O 3.25Å; C496-P659 HydrophobicContact CB-CG 4.12Å; C496-P659 VanDerWaalsContact O-CG 3.3Å; C496-P659 WeakPolarHBondContact O-CG 3.45Å
497	N	98.3	Very high	97.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	10%	0.102	C	C	.	.			trans	-139	60.5	-175.8	-164.2	-2.2	0	0	0	111.7	L493 G499 L500 A501 N542 P659 N685	L493-N497 HydrophobicContact CD1-CB 4.39Å; L493-N497 CarbonylContact O-C 3.23Å; L493-N497 VanDerWaalsContact O-CA 3.29Å; L493-N497 WeakPolarHBondContact O-CA 3.44Å; L493-N497 PolarHBondContact O-N 3.32Å; N497-G499 VanDerWaalsContact C-N 3.26Å; N497-G499 PolarHBondContact O-N 3.45Å; N497-L500 HydrophobicContact CB-CB 4.34Å; N497-L500 VanDerWaalsContact CG-CB 3.41Å; N497-L500 WeakPolarHBondContact ND2-CB 3.41Å; N497-L500 WeakPolarHBondContact ND2-CD2 3.46Å; N497-L500 PolarHBondContact O-N 3.22Å; N497-L500 VanDerWaalsContact O-N 3.09Å; N497-L500 WeakPolarHBondContact OD1-CB 3.31Å; N497-L500 PolarHBondContact OD1-N 3.32Å; N497-A501 PolarHBondContact O-N 2.9Å; N497-N542 PolarHBondContact OD1-ND2 3.06Å; N497-P659 HydrophobicContact CB-CB 4.09Å; N497-P659 HydrophobicContact CB-CG 4.1Å; N497-N685 WeakPolarHBondContact CB-OD1 3.22Å; N497-N685 PolarHBondContact ND2-OD1 2.96Å
498	P	95.9	Very high	97.6	Very high	29 Å²	29	20 Å²	20	19%	0.188	11%	0.108	C	C	.	.	H	α-helix	trans	-57.8	-37.4	-176.5	26.7	-38.3	0	0	0	112.3	L500 A501 D502	P498-L500 VanDerWaalsContact C-N 3.32Å; P498-L500 PolarHBondContact O-N 3.36Å; P498-A501 PolarHBondContact O-N 3.31Å; P498-D502 WeakPolarHBondContact O-CB 3.41Å; P498-D502 PolarHBondContact O-N 2.81Å
499	G	97.1	Very high	97.5	Very high	25 Å²	25	21.4 Å²	21.4	26%	0.258	12%	0.123	S	C	.	.	H	α-helix	trans	-63	-36.1	178.3	0	0	0	0	0	113.2	N497 T503	N497-G499 VanDerWaalsContact C-N 3.26Å; N497-G499 PolarHBondContact O-N 3.45Å; G499-T503 WeakPolarHBondContact O-CB 3.47Å; G499-T503 PolarHBondContact O-N 3.19Å; G499-T503 VanDerWaalsContact O-N 3.13Å; G499-T503 PolarHBondContact O-OG1 3.33Å
500	L	98.5	Very high	97.3	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-73.2	-40.3	174.3	-176.9	59.9	0	0	0	110.8	L493 N497 P498 T503 I504 V535 V538 I806	L493-L500 HydrophobicContact CD1-CB 4.21Å; L493-L500 HydrophobicContact CD1-CD2 3.82Å; L493-L500 HydrophobicContact CD1-CG 4.04Å; N497-L500 HydrophobicContact CB-CB 4.34Å; N497-L500 VanDerWaalsContact CG-CB 3.41Å; N497-L500 WeakPolarHBondContact ND2-CB 3.41Å; N497-L500 WeakPolarHBondContact ND2-CD2 3.46Å; N497-L500 PolarHBondContact O-N 3.22Å; N497-L500 VanDerWaalsContact O-N 3.09Å; N497-L500 WeakPolarHBondContact OD1-CB 3.31Å; N497-L500 PolarHBondContact OD1-N 3.32Å; P498-L500 VanDerWaalsContact C-N 3.32Å; P498-L500 PolarHBondContact O-N 3.36Å; L500-T503 PolarHBondContact O-N 2.88Å; L500-I504 HydrophobicContact CD1-CD1 4.3Å; L500-I504 HydrophobicContact CD1-CG1 4.46Å; L500-I504 HydrophobicContact CG-CD1 4.02Å; L500-I504 VanDerWaalsContact O-CG1 3.28Å; L500-I504 WeakPolarHBondContact O-CG1 3.44Å; L500-I504 PolarHBondContact O-N 3.46Å; L500-V535 HydrophobicContact CD1-CG2 4.49Å; L500-V538 HydrophobicContact CB-CG1 3.95Å; L500-I806 HydrophobicContact CD1-CD1 4.27Å; L500-I806 HydrophobicContact CD2-CD1 4.14Å
501	A	97.8	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-46.6	176.4	0	0	0	0	0	111.6	V16 L493 L494 N497 P498 T503 I504 V505	V16-A501 HydrophobicContact CG2-CB 4.36Å; L493-A501 HydrophobicContact CG-CB 4.38Å; L494-A501 HydrophobicContact CD1-CB 4.17Å; N497-A501 PolarHBondContact O-N 2.9Å; P498-A501 PolarHBondContact O-N 3.31Å; A501-T503 PolarHBondContact O-N 3.1Å; A501-I504 PolarHBondContact O-N 3.31Å; A501-V505 WeakPolarHBondContact O-CG2 3.46Å; A501-V505 PolarHBondContact O-N 3.35Å
502	D	96.1	Very high	97	Very high	36 Å²	36	31 Å²	31	19%	0.193	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-48.6	174.8	-73.2	-32.1	0	0	0	110.9	S15 V16 P498 I504 V505 E506	S15-D502 WeakPolarHBondContact CA-OD1 3.39Å; S15-D502 PolarHBondContact OG-OD1 3.4Å; S15-D502 PolarHBondContact OG-OD2 3.22Å; S15-D502 VanDerWaalsContact OG-OD2 3.14Å; V16-D502 VanDerWaalsContact CG1-OD1 3.26Å; V16-D502 WeakPolarHBondContact CG1-OD1 3.46Å; V16-D502 VanDerWaalsContact CG2-OD1 3.24Å; V16-D502 WeakPolarHBondContact CG2-OD1 3.31Å; V16-D502 PolarHBondContact N-OD1 3.25Å; P498-D502 WeakPolarHBondContact O-CB 3.41Å; P498-D502 PolarHBondContact O-N 2.81Å; D502-I504 PolarHBondContact O-N 3.16Å; D502-V505 PolarHBondContact O-N 3.02Å; D502-V505 VanDerWaalsContact O-N 3.12Å; D502-E506 WeakPolarHBondContact O-CG 3.17Å; D502-E506 PolarHBondContact O-N 3.15Å
503	T	97.4	Very high	96.8	Very high	14 Å²	14	31 Å²	31	9%	0.086	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-34.6	177.9	-56.9	0	0	0	0	112.5	G499 L500 A501 F531 D534 V535	G499-T503 WeakPolarHBondContact O-CB 3.47Å; G499-T503 PolarHBondContact O-N 3.19Å; G499-T503 VanDerWaalsContact O-N 3.13Å; G499-T503 PolarHBondContact O-OG1 3.33Å; L500-T503 PolarHBondContact O-N 2.88Å; A501-T503 PolarHBondContact O-N 3.1Å; T503-F531 HydrophobicContact CG2-CD2 4.14Å; T503-F531 HydrophobicContact CG2-CE2 3.89Å; T503-D534 HydrophobicContact CG2-CB 3.98Å; T503-V535 HydrophobicContact CG2-CG2 4.38Å
504	I	98.1	Very high	96.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-75.7	-44.9	176	-66.3	167.5	0	0	0	110.4	L493 L500 A501 D502 E506 K507 I508 F512 L519 L522 I806	L493-I504 HydrophobicContact CD2-CD1 4.33Å; L500-I504 HydrophobicContact CD1-CD1 4.3Å; L500-I504 HydrophobicContact CD1-CG1 4.46Å; L500-I504 HydrophobicContact CG-CD1 4.02Å; L500-I504 VanDerWaalsContact O-CG1 3.28Å; L500-I504 WeakPolarHBondContact O-CG1 3.44Å; L500-I504 PolarHBondContact O-N 3.46Å; A501-I504 PolarHBondContact O-N 3.31Å; D502-I504 PolarHBondContact O-N 3.16Å; I504-E506 VanDerWaalsContact C-N 3.3Å; I504-E506 PolarHBondContact O-N 3.35Å; I504-K507 PolarHBondContact O-N 3.49Å; I504-I508 HydrophobicContact CG2-CD1 3.67Å; I504-I508 HydrophobicContact CG2-CG1 3.75Å; I504-I508 WeakPolarHBondContact O-CG1 3.23Å; I504-I508 PolarHBondContact O-N 2.79Å; I504-F512 HydrophobicContact CB-CE1 4Å; I504-F512 HydrophobicContact CB-CZ 3.96Å; I504-F512 HydrophobicContact CG2-CD1 3.75Å; I504-F512 HydrophobicContact CG2-CE1 3.33Å; I504-F512 HydrophobicContact CG2-CE2 4.21Å; I504-F512 HydrophobicContact CG2-CG 4.33Å; I504-F512 HydrophobicContact CG2-CZ 3.61Å; I504-L519 HydrophobicContact CD1-CD2 4.2Å; I504-L519 HydrophobicContact CG2-CD2 3.83Å; I504-L522 HydrophobicContact CD1-CD1 4.38Å; I504-L522 HydrophobicContact CG1-CD1 4.1Å; I504-L522 HydrophobicContact CG2-CD1 4.22Å; I504-L522 HydrophobicContact CG2-CD2 4.38Å; I504-I806 HydrophobicContact CD1-CG2 4.08Å
505	V	96.7	Very high	96.6	Very high	27 Å²	27	37.4 Å²	37.4	16%	0.164	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-40	179.8	167.4	0	0	0	0	111.9	V16 A501 D502 K507 I508 G509 E510 F512	V16-V505 HydrophobicContact CB-CG2 4.48Å; V16-V505 HydrophobicContact CG1-CB 3.53Å; V16-V505 HydrophobicContact CG1-CG1 3.78Å; V16-V505 HydrophobicContact CG1-CG2 3.29Å; A501-V505 WeakPolarHBondContact O-CG2 3.46Å; A501-V505 PolarHBondContact O-N 3.35Å; D502-V505 PolarHBondContact O-N 3.02Å; D502-V505 VanDerWaalsContact O-N 3.12Å; V505-K507 PolarHBondContact O-N 3.23Å; V505-I508 PolarHBondContact O-N 2.81Å; V505-G509 WeakPolarHBondContact O-CA 3.46Å; V505-G509 PolarHBondContact O-N 2.91Å; V505-E510 HydrophobicContact CG1-CG 3.81Å; V505-E510 HydrophobicContact CG2-CG 3.98Å; V505-F512 HydrophobicContact CB-CE1 4.48Å; V505-F512 HydrophobicContact CG2-CD1 4.45Å; V505-F512 HydrophobicContact CG2-CE1 3.4Å; V505-F512 VanDerWaalsContact CG2-CE1 3.4Å; V505-F512 HydrophobicContact CG2-CZ 3.93Å
506	E	96.1	Very high	96.7	Very high	135 Å²	135	37.3 Å²	37.3	63%	0.631	20%	0.204	S	C	*	.	H	α-helix	trans	-56.6	-24.1	174.9	-75.2	-177.4	-179.8	0	0	113.5	D502 I504	D502-E506 WeakPolarHBondContact O-CG 3.17Å; D502-E506 PolarHBondContact O-N 3.15Å; I504-E506 VanDerWaalsContact C-N 3.3Å; I504-E506 PolarHBondContact O-N 3.35Å
507	K	97.1	Very high	96.7	Very high	79 Å²	79	39.5 Å²	39.5	34%	0.343	22%	0.22	S	C	.	.	H	α-helix	trans	-99	-38.1	-178.3	-59.8	-57.1	178	-177	0	113.6	I504 V505 L522 L525 F531	I504-K507 PolarHBondContact O-N 3.49Å; V505-K507 PolarHBondContact O-N 3.23Å; K507-L522 HydrophobicContact CB-CD2 4.32Å; K507-L525 HydrophobicContact CB-CD1 3.7Å; K507-L525 HydrophobicContact CD-CD1 4.12Å; K507-L525 HydrophobicContact CG-CD1 3.88Å; K507-F531 HydrophobicContact CD-CD2 4.4Å; K507-F531 HydrophobicContact CG-CD2 3.83Å; K507-F531 HydrophobicContact CG-CE2 3.92Å
508	I	97.4	Very high	96.7	Very high	27 Å²	27	40.4 Å²	40.4	14%	0.138	22%	0.224	C	C	.	.	H	α-helix	trans	-130.7	1.7	-168.9	70.9	169.9	0	0	0	114.9	I504 V505 F512 L519 K521 L522	I504-I508 HydrophobicContact CG2-CD1 3.67Å; I504-I508 HydrophobicContact CG2-CG1 3.75Å; I504-I508 WeakPolarHBondContact O-CG1 3.23Å; I504-I508 PolarHBondContact O-N 2.79Å; V505-I508 PolarHBondContact O-N 2.81Å; I508-F512 HydrophobicContact CD1-CB 4.26Å; I508-F512 HydrophobicContact CD1-CD1 3.98Å; I508-F512 HydrophobicContact CD1-CG 4.34Å; I508-F512 HydrophobicContact CG1-CD1 4.07Å; I508-L519 HydrophobicContact CD1-CD2 4.24Å; I508-K521 HydrophobicContact CB-CB 4.36Å; I508-K521 HydrophobicContact CB-CD 4.4Å; I508-K521 HydrophobicContact CG2-CB 3.72Å; I508-L522 HydrophobicContact CD1-CD2 4.34Å; I508-L522 HydrophobicContact CD1-CG 4.4Å; I508-L522 HydrophobicContact CG2-CD2 3.8Å
509	G	96.1	Very high	96.8	Very high	30 Å²	30	39 Å²	39	31%	0.309	22%	0.215	S	C	.	.			trans	80.3	-178.8	-176.6	0	0	0	0	0	114	V505 F512	V505-G509 WeakPolarHBondContact O-CA 3.46Å; V505-G509 PolarHBondContact O-N 2.91Å; G509-F512 WeakPolarHBondContact O-CD1 3.31Å; G509-F512 WeakPolarHBondContact O-CE1 3.28Å
510	E	94.9	Very high	96.9	Very high	86 Å²	86	43.2 Å²	43.2	40%	0.402	23%	0.226	S	C	.	.	S	Bend	trans	-84.8	-11.6	-173.7	-69.8	-171.8	-164.1	0	0	115	K235 V505 F512 L513	K235-E510 IonicContact NZ-OE2 3.35Å; K235-E510 PolarHBondContact NZ-OE2 3.15Å; V505-E510 HydrophobicContact CG1-CG 3.81Å; V505-E510 HydrophobicContact CG2-CG 3.98Å; E510-F512 PolarHBondContact O-N 2.86Å; E510-L513 HydrophobicContact CB-CD1 4.24Å; E510-L513 WeakPolarHBondContact O-CB 3.32Å; E510-L513 WeakPolarHBondContact O-CG 3.47Å; E510-L513 PolarHBondContact O-N 2.87Å
511	E	94.6	Very high	96.9	Very high	122 Å²	122	48.1 Å²	48.1	57%	0.57	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.4	-25.9	-171	-64.3	-179.2	178.1	0	0	113.4	L513 T514 D515 Q518	E511-L513 PolarHBondContact O-N 2.93Å; E511-L513 VanDerWaalsContact O-N 3.1Å; E511-T514 PolarHBondContact O-N 3.31Å; E511-T514 PolarHBondContact O-OG1 3.43Å; E511-D515 PolarHBondContact O-N 3.38Å; E511-Q518 PolarHBondContact OE2-NE2 2.95Å; E511-Q518 PolarHBondContact OE2-OE1 3.23Å
512	F	96.1	Very high	96.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-64.7	-16.2	179.2	78.2	-93.6	0	0	0	114.2	L493 I504 V505 I508 G509 E510 T514 D515 L516 Q518 L519	L493-F512 HydrophobicContact CD2-CD2 4.48Å; L493-F512 HydrophobicContact CD2-CE2 3.7Å; I504-F512 HydrophobicContact CB-CE1 4Å; I504-F512 HydrophobicContact CB-CZ 3.96Å; I504-F512 HydrophobicContact CG2-CD1 3.75Å; I504-F512 HydrophobicContact CG2-CE1 3.33Å; I504-F512 HydrophobicContact CG2-CE2 4.21Å; I504-F512 HydrophobicContact CG2-CG 4.33Å; I504-F512 HydrophobicContact CG2-CZ 3.61Å; V505-F512 HydrophobicContact CB-CE1 4.48Å; V505-F512 HydrophobicContact CG2-CD1 4.45Å; V505-F512 HydrophobicContact CG2-CE1 3.4Å; V505-F512 VanDerWaalsContact CG2-CE1 3.4Å; V505-F512 HydrophobicContact CG2-CZ 3.93Å; I508-F512 HydrophobicContact CD1-CB 4.26Å; I508-F512 HydrophobicContact CD1-CD1 3.98Å; I508-F512 HydrophobicContact CD1-CG 4.34Å; I508-F512 HydrophobicContact CG1-CD1 4.07Å; G509-F512 WeakPolarHBondContact O-CD1 3.31Å; G509-F512 WeakPolarHBondContact O-CE1 3.28Å; E510-F512 PolarHBondContact O-N 2.86Å; F512-T514 PolarHBondContact O-N 3.43Å; F512-D515 VanDerWaalsContact CA-O 3.28Å; F512-D515 WeakPolarHBondContact CA-O 3.2Å; F512-D515 CarbonylContact O-C 3.55Å; F512-L516 HydrophobicContact CD2-CD1 4.12Å; F512-L516 WeakPolarHBondContact O-CA 3.48Å; F512-L516 PolarHBondContact O-N 3.45Å; F512-Q518 HydrophobicContact CB-CB 3.95Å; F512-L519 HydrophobicContact CB-CD2 4.24Å; F512-L519 HydrophobicContact CD2-CD2 3.81Å; F512-L519 HydrophobicContact CD2-CG 4.48Å; F512-L519 HydrophobicContact CE2-CD2 4.36Å; F512-L519 HydrophobicContact CG-CD2 3.99Å
513	L	93.4	Very high	97	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-69.3	-21.9	-179.6	-63.5	172.4	0	0	0	112.5	Y234 L494 E510 E511	Y234-L513 HydrophobicContact CE1-CB 3.91Å; Y234-L513 HydrophobicContact CE1-CD1 4.49Å; Y234-L513 VanDerWaalsContact OH-CD1 3.26Å; Y234-L513 WeakPolarHBondContact OH-CD1 3.34Å; L494-L513 HydrophobicContact CB-CD2 4.06Å; L494-L513 HydrophobicContact CD1-CD1 4.33Å; L494-L513 HydrophobicContact CD1-CD2 4.19Å; L494-L513 HydrophobicContact CD2-CD1 4.17Å; L494-L513 HydrophobicContact CD2-CD2 4.12Å; L494-L513 HydrophobicContact CG-CD2 4.37Å; E510-L513 HydrophobicContact CB-CD1 4.24Å; E510-L513 WeakPolarHBondContact O-CB 3.32Å; E510-L513 WeakPolarHBondContact O-CG 3.47Å; E510-L513 PolarHBondContact O-N 2.87Å; E511-L513 PolarHBondContact O-N 2.93Å; E511-L513 VanDerWaalsContact O-N 3.1Å
514	T	95.1	Very high	97.1	Very high	73 Å²	73	54 Å²	54	45%	0.448	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-15.1	172.8	50.9	0	0	0	0	113.3	T150 Y234 E511 F512	T150-T514 HydrophobicContact CG2-CG2 4.17Å; Y234-T514 HydrophobicContact CD1-CG2 3.52Å; Y234-T514 HydrophobicContact CE1-CG2 4.13Å; E511-T514 PolarHBondContact O-N 3.31Å; E511-T514 PolarHBondContact O-OG1 3.43Å; F512-T514 PolarHBondContact O-N 3.43Å
515	D	97.2	Very high	97	Very high	68 Å²	68	56 Å²	56	36%	0.364	29%	0.294	S	S	.	.			trans	-129.1	82.3	171	176.2	17.4	0	0	0	111.2	E511 F512 S517 Q518	E511-D515 PolarHBondContact O-N 3.38Å; F512-D515 VanDerWaalsContact CA-O 3.28Å; F512-D515 WeakPolarHBondContact CA-O 3.2Å; F512-D515 CarbonylContact O-C 3.55Å; D515-S517 VanDerWaalsContact CG-OG 3.31Å; D515-S517 PolarHBondContact O-N 2.97Å; D515-S517 VanDerWaalsContact OD1-CB 3.28Å; D515-S517 WeakPolarHBondContact OD1-CB 3.36Å; D515-S517 PolarHBondContact OD1-N 2.93Å; D515-S517 PolarHBondContact OD1-OG 3.28Å; D515-S517 PolarHBondContact OD2-OG 3.32Å; D515-Q518 HydrophobicContact CB-CG 4.27Å; D515-Q518 WeakPolarHBondContact O-CB 3.38Å; D515-Q518 WeakPolarHBondContact O-CG 3.47Å; D515-Q518 PolarHBondContact O-N 2.91Å; D515-Q518 VanDerWaalsContact O-N 3.07Å; D515-Q518 WeakPolarHBondContact OD2-CG 3.32Å
516	L	98.3	Very high	97.1	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-62.8	-14.3	-174.8	-154.4	66	0	0	0	113.5	P489 F512 Q518 L519 L684 G810	P489-L516 HydrophobicContact CB-CD1 3.71Å; P489-L516 HydrophobicContact CB-CD2 4.29Å; P489-L516 HydrophobicContact CG-CD1 4.2Å; F512-L516 HydrophobicContact CD2-CD1 4.12Å; F512-L516 WeakPolarHBondContact O-CA 3.48Å; F512-L516 PolarHBondContact O-N 3.45Å; L516-Q518 PolarHBondContact O-N 2.78Å; L516-L519 HydrophobicContact CD1-CD1 3.62Å; L516-L519 HydrophobicContact CD1-CG 4.07Å; L516-L519 HydrophobicContact CG-CD1 3.78Å; L516-L519 HydrophobicContact CG-CG 4.3Å; L516-L519 WeakPolarHBondContact O-CB 3.03Å; L516-L519 WeakPolarHBondContact O-CG 3.16Å; L516-L519 PolarHBondContact O-N 3.2Å; L516-L684 HydrophobicContact CD1-CD1 4.31Å; L516-L684 HydrophobicContact CD2-CD1 4.23Å; L516-G810 WeakPolarHBondContact O-CA 3.43Å
517	S	97.9	Very high	97.2	Very high	64 Å²	64	53.6 Å²	53.6	45%	0.448	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24.8	175.3	80.5	0	0	0	0	112.5	D515 L519 K520	D515-S517 VanDerWaalsContact CG-OG 3.31Å; D515-S517 PolarHBondContact O-N 2.97Å; D515-S517 VanDerWaalsContact OD1-CB 3.28Å; D515-S517 WeakPolarHBondContact OD1-CB 3.36Å; D515-S517 PolarHBondContact OD1-N 2.93Å; D515-S517 PolarHBondContact OD1-OG 3.28Å; D515-S517 PolarHBondContact OD2-OG 3.32Å; S517-L519 PolarHBondContact O-N 3.02Å; S517-K520 PolarHBondContact O-N 3.07Å
518	Q	98.5	Very high	97.2	Very high	21 Å²	21	52.7 Å²	52.7	10%	0.098	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-64.2	-18	178	-63.3	-150.4	28.1	0	0	114.2	E511 F512 D515 L516 K520 K521	E511-Q518 PolarHBondContact OE2-NE2 2.95Å; E511-Q518 PolarHBondContact OE2-OE1 3.23Å; F512-Q518 HydrophobicContact CB-CB 3.95Å; D515-Q518 HydrophobicContact CB-CG 4.27Å; D515-Q518 WeakPolarHBondContact O-CB 3.38Å; D515-Q518 WeakPolarHBondContact O-CG 3.47Å; D515-Q518 PolarHBondContact O-N 2.91Å; D515-Q518 VanDerWaalsContact O-N 3.07Å; D515-Q518 WeakPolarHBondContact OD2-CG 3.32Å; L516-Q518 PolarHBondContact O-N 2.78Å; Q518-K520 PolarHBondContact O-N 2.87Å; Q518-K521 VanDerWaalsContact O-CB 3.25Å; Q518-K521 WeakPolarHBondContact O-CB 3.36Å; Q518-K521 WeakPolarHBondContact O-CG 3.48Å; Q518-K521 PolarHBondContact O-N 2.93Å
519	L	98.7	Very high	97.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-56.8	-22.2	174.7	-68.6	-176.5	0	0	0	112.8	I504 I508 F512 L516 S517 K521 L522 L684 I806 A807 S809	I504-L519 HydrophobicContact CD1-CD2 4.2Å; I504-L519 HydrophobicContact CG2-CD2 3.83Å; I508-L519 HydrophobicContact CD1-CD2 4.24Å; F512-L519 HydrophobicContact CB-CD2 4.24Å; F512-L519 HydrophobicContact CD2-CD2 3.81Å; F512-L519 HydrophobicContact CD2-CG 4.48Å; F512-L519 HydrophobicContact CE2-CD2 4.36Å; F512-L519 HydrophobicContact CG-CD2 3.99Å; L516-L519 HydrophobicContact CD1-CD1 3.62Å; L516-L519 HydrophobicContact CD1-CG 4.07Å; L516-L519 HydrophobicContact CG-CD1 3.78Å; L516-L519 HydrophobicContact CG-CG 4.3Å; L516-L519 WeakPolarHBondContact O-CB 3.03Å; L516-L519 WeakPolarHBondContact O-CG 3.16Å; L516-L519 PolarHBondContact O-N 3.2Å; S517-L519 PolarHBondContact O-N 3.02Å; L519-K521 PolarHBondContact O-N 2.85Å; L519-K521 VanDerWaalsContact O-N 3.11Å; L519-L522 HydrophobicContact CD2-CD1 4.08Å; L519-L522 VanDerWaalsContact O-CB 3.29Å; L519-L522 WeakPolarHBondContact O-CB 3.47Å; L519-L522 WeakPolarHBondContact O-CG 3.49Å; L519-L522 PolarHBondContact O-N 2.87Å; L519-L684 HydrophobicContact CD1-CD1 3.71Å; L519-I806 WeakPolarHBondContact CD1-O 2.97Å; L519-A807 CarbonylContact C-O 3.58Å; L519-A807 VanDerWaalsContact C-O 3.23Å; L519-A807 VanDerWaalsContact O-CA 3.32Å; L519-A807 WeakPolarHBondContact O-CA 3.36Å; L519-A807 WeakPolarHBondContact O-CB 3.43Å; L519-S809 WeakPolarHBondContact CD1-OG 3.44Å
520	K	98.3	Very high	97.3	Very high	113 Å²	113	56.5 Å²	56.5	49%	0.491	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-57.2	-25.3	172.7	-72.8	-173.1	176.2	-177.7	0	113.1	S517 Q518 L522 L523 E703 A807	S517-K520 PolarHBondContact O-N 3.07Å; Q518-K520 PolarHBondContact O-N 2.87Å; K520-L522 PolarHBondContact O-N 3.04Å; K520-L522 VanDerWaalsContact O-N 3.11Å; K520-L523 WeakPolarHBondContact O-CB 3.28Å; K520-L523 WeakPolarHBondContact O-CG 3.39Å; K520-L523 PolarHBondContact O-N 3.13Å; K520-E703 IonicContact NZ-OE2 2.69Å; K520-A807 WeakPolarHBondContact CA-O 3.34Å; K520-A807 PolarHBondContact N-O 3.34Å; K520-A807 VanDerWaalsContact N-O 3.15Å
521	K	98.5	Very high	97.5	Very high	108 Å²	108	52.5 Å²	52.5	47%	0.47	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-62.5	-12.4	174.1	-65.3	175.3	-179.9	175.6	0	113.4	I508 Q518 L519 P524	I508-K521 HydrophobicContact CB-CB 4.36Å; I508-K521 HydrophobicContact CB-CD 4.4Å; I508-K521 HydrophobicContact CG2-CB 3.72Å; Q518-K521 VanDerWaalsContact O-CB 3.25Å; Q518-K521 WeakPolarHBondContact O-CB 3.36Å; Q518-K521 WeakPolarHBondContact O-CG 3.48Å; Q518-K521 PolarHBondContact O-N 2.93Å; L519-K521 PolarHBondContact O-N 2.85Å; L519-K521 VanDerWaalsContact O-N 3.11Å; K521-P524 WeakPolarHBondContact O-CD 3.23Å
522	L	98.5	Very high	97.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-80.8	-17.4	174	-58.3	176.2	0	0	0	113.4	I504 K507 I508 L519 K520 L525 F531 I806 A807	I504-L522 HydrophobicContact CD1-CD1 4.38Å; I504-L522 HydrophobicContact CG1-CD1 4.1Å; I504-L522 HydrophobicContact CG2-CD1 4.22Å; I504-L522 HydrophobicContact CG2-CD2 4.38Å; K507-L522 HydrophobicContact CB-CD2 4.32Å; I508-L522 HydrophobicContact CD1-CD2 4.34Å; I508-L522 HydrophobicContact CD1-CG 4.4Å; I508-L522 HydrophobicContact CG2-CD2 3.8Å; L519-L522 HydrophobicContact CD2-CD1 4.08Å; L519-L522 VanDerWaalsContact O-CB 3.29Å; L519-L522 WeakPolarHBondContact O-CB 3.47Å; L519-L522 WeakPolarHBondContact O-CG 3.49Å; L519-L522 PolarHBondContact O-N 2.87Å; K520-L522 PolarHBondContact O-N 3.04Å; K520-L522 VanDerWaalsContact O-N 3.11Å; L522-L525 HydrophobicContact CD2-CD1 4.21Å; L522-L525 WeakPolarHBondContact O-CA 3.32Å; L522-L525 WeakPolarHBondContact O-CB 3.48Å; L522-L525 PolarHBondContact O-N 3.46Å; L522-F531 HydrophobicContact CB-CE1 4.44Å; L522-F531 HydrophobicContact CD1-CZ 4.26Å; L522-F531 HydrophobicContact CD2-CE1 4.28Å; L522-F531 HydrophobicContact CD2-CE2 4.36Å; L522-F531 HydrophobicContact CD2-CZ 3.74Å; L522-F531 HydrophobicContact CG-CZ 4.41Å; L522-I806 HydrophobicContact CD1-CG2 4.1Å; L522-A807 HydrophobicContact CB-CB 3.91Å
523	L	98.4	Very high	97.8	Very high	67 Å²	67	54.3 Å²	54.3	35%	0.351	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-58.6	-43.6	-178.8	-69.8	172.5	0	0	0	113.4	K520 L525 V526 R804 A807	K520-L523 WeakPolarHBondContact O-CB 3.28Å; K520-L523 WeakPolarHBondContact O-CG 3.39Å; K520-L523 PolarHBondContact O-N 3.13Å; L523-L525 PolarHBondContact O-N 2.74Å; L523-L525 VanDerWaalsContact O-N 3.17Å; L523-V526 WeakPolarHBondContact O-CB 3.29Å; L523-V526 VanDerWaalsContact O-CG1 3.29Å; L523-V526 WeakPolarHBondContact O-CG1 3.5Å; L523-V526 PolarHBondContact O-N 3.14Å; L523-V526 VanDerWaalsContact O-N 3.16Å; L523-R804 HydrophobicContact CD2-CG 4.31Å; L523-A807 HydrophobicContact CD2-CB 3.71Å; L523-A807 HydrophobicContact CG-CB 3.83Å
524	P	98.3	Very high	98	Very high	107 Å²	107	55.8 Å²	55.8	70%	0.695	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-60	-23.2	174	-24.6	36	0	0	0	113.9	K521 V526	K521-P524 WeakPolarHBondContact O-CD 3.23Å; P524-V526 VanDerWaalsContact C-N 3.34Å
525	L	97.8	Very high	98.2	Very high	41 Å²	41	52.7 Å²	52.7	22%	0.215	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-88.1	2	-178.8	-53.5	178.5	0	0	0	113.2	K507 L522 L523 N527 D528 F531	K507-L525 HydrophobicContact CB-CD1 3.7Å; K507-L525 HydrophobicContact CD-CD1 4.12Å; K507-L525 HydrophobicContact CG-CD1 3.88Å; L522-L525 HydrophobicContact CD2-CD1 4.21Å; L522-L525 WeakPolarHBondContact O-CA 3.32Å; L522-L525 WeakPolarHBondContact O-CB 3.48Å; L522-L525 PolarHBondContact O-N 3.46Å; L523-L525 PolarHBondContact O-N 2.74Å; L523-L525 VanDerWaalsContact O-N 3.17Å; L525-N527 PolarHBondContact O-N 3.1Å; L525-D528 HydrophobicContact CB-CB 4.3Å; L525-D528 WeakPolarHBondContact O-CB 3.43Å; L525-D528 PolarHBondContact O-N 3.39Å; L525-F531 HydrophobicContact CB-CD1 3.78Å; L525-F531 HydrophobicContact CB-CE1 4.28Å; L525-F531 HydrophobicContact CB-CG 4.33Å
526	V	97.8	Very high	98.3	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.079	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20	-179.4	75.4	0	0	0	0	113.5	L523 P524 I532 K800 I803 R804	L523-V526 WeakPolarHBondContact O-CB 3.29Å; L523-V526 VanDerWaalsContact O-CG1 3.29Å; L523-V526 WeakPolarHBondContact O-CG1 3.5Å; L523-V526 PolarHBondContact O-N 3.14Å; L523-V526 VanDerWaalsContact O-N 3.16Å; P524-V526 VanDerWaalsContact C-N 3.34Å; V526-I532 WeakPolarHBondContact O-CD1 3.5Å; V526-K800 HydrophobicContact CG2-CB 3.99Å; V526-K800 HydrophobicContact CG2-CG 4.24Å; V526-K800 WeakPolarHBondContact O-CE 3.27Å; V526-K800 WeakPolarHBondContact O-CG 3.32Å; V526-I803 HydrophobicContact CB-CG2 4.36Å; V526-I803 HydrophobicContact CG2-CB 4.49Å; V526-I803 HydrophobicContact CG2-CG2 4.3Å; V526-R804 HydrophobicContact CG2-CG 4.02Å
527	N	97.7	Very high	98.3	Very high	100 Å²	100	56.5 Å²	56.5	54%	0.535	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-107.1	3.1	176.3	-65.1	-47.1	0	0	0	113.1	L525 E529 K800	L525-N527 PolarHBondContact O-N 3.1Å; N527-E529 PolarHBondContact O-N 3.27Å; N527-K800 WeakPolarHBondContact OD1-CE 3.47Å; N527-K800 PolarHBondContact OD1-NZ 2.86Å
528	D	98.3	Very high	98.3	Very high	59 Å²	59	54 Å²	54	32%	0.316	27%	0.274	S	S	.	.			trans	-75.4	116	177	-176.9	-88.2	0	0	0	110.1	L525 A530 F531 I532	L525-D528 HydrophobicContact CB-CB 4.3Å; L525-D528 WeakPolarHBondContact O-CB 3.43Å; L525-D528 PolarHBondContact O-N 3.39Å; D528-A530 VanDerWaalsContact C-N 3.28Å; D528-A530 PolarHBondContact O-N 3.04Å; D528-A530 WeakPolarHBondContact OD1-CB 3.44Å; D528-A530 PolarHBondContact OD1-N 3.28Å; D528-A530 VanDerWaalsContact OD1-N 3.17Å; D528-F531 HydrophobicContact CB-CB 4.02Å; D528-F531 PolarHBondContact O-N 3.25Å; D528-F531 WeakPolarHBondContact OD1-CB 3.33Å; D528-F531 PolarHBondContact OD1-N 3.47Å; D528-I532 WeakPolarHBondContact O-CD1 3.42Å; D528-I532 VanDerWaalsContact O-CG1 3.24Å; D528-I532 WeakPolarHBondContact O-CG1 3.34Å; D528-I532 PolarHBondContact O-N 2.99Å
529	E	98.1	Very high	98.3	Very high	106 Å²	106	54.1 Å²	54.1	50%	0.495	27%	0.274	S	S	.	.	H	α-helix	trans	-65.3	-31.7	-174.6	-61.8	-61.3	141.3	0	0	112.8	N527 R533 K796	N527-E529 PolarHBondContact O-N 3.27Å; E529-R533 WeakPolarHBondContact O-CB 3.27Å; E529-R533 PolarHBondContact O-N 3.01Å; E529-R533 VanDerWaalsContact O-N 3.16Å; E529-K796 VanDerWaalsContact OE1-CE 3.24Å; E529-K796 WeakPolarHBondContact OE1-CE 3.3Å; E529-K796 IonicContact OE1-NZ 3.96Å; E529-K796 PolarHBondContact OE1-NZ 2.98Å; E529-K796 WeakPolarHBondContact OE2-CE 3.37Å; E529-K796 IonicContact OE2-NZ 3.86Å; E529-K796 PolarHBondContact OE2-NZ 3.21Å
530	A	97.8	Very high	98.3	Very high	31 Å²	31	57.3 Å²	57.3	26%	0.256	29%	0.289	S	S	.	.	H	α-helix	trans	-69	-49.8	177.7	0	0	0	0	0	110.1	D528 I532 R533 D534	D528-A530 VanDerWaalsContact C-N 3.28Å; D528-A530 PolarHBondContact O-N 3.04Å; D528-A530 WeakPolarHBondContact OD1-CB 3.44Å; D528-A530 PolarHBondContact OD1-N 3.28Å; D528-A530 VanDerWaalsContact OD1-N 3.17Å; A530-I532 PolarHBondContact O-N 3.38Å; A530-R533 WeakPolarHBondContact O-CB 3.26Å; A530-R533 PolarHBondContact O-N 3.08Å; A530-R533 VanDerWaalsContact O-N 3.13Å; A530-D534 WeakPolarHBondContact O-CB 3.36Å; A530-D534 PolarHBondContact O-N 3.15Å; A530-D534 VanDerWaalsContact O-OD2 3.08Å
531	F	98.2	Very high	98.4	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.013	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-41.3	179.5	-170.9	-121.2	0	0	0	112.6	T503 K507 L522 L525 D528 R533 D534 V535 I803	T503-F531 HydrophobicContact CG2-CD2 4.14Å; T503-F531 HydrophobicContact CG2-CE2 3.89Å; K507-F531 HydrophobicContact CD-CD2 4.4Å; K507-F531 HydrophobicContact CG-CD2 3.83Å; K507-F531 HydrophobicContact CG-CE2 3.92Å; L522-F531 HydrophobicContact CB-CE1 4.44Å; L522-F531 HydrophobicContact CD1-CZ 4.26Å; L522-F531 HydrophobicContact CD2-CE1 4.28Å; L522-F531 HydrophobicContact CD2-CE2 4.36Å; L522-F531 HydrophobicContact CD2-CZ 3.74Å; L522-F531 HydrophobicContact CG-CZ 4.41Å; L525-F531 HydrophobicContact CB-CD1 3.78Å; L525-F531 HydrophobicContact CB-CE1 4.28Å; L525-F531 HydrophobicContact CB-CG 4.33Å; D528-F531 HydrophobicContact CB-CB 4.02Å; D528-F531 PolarHBondContact O-N 3.25Å; D528-F531 WeakPolarHBondContact OD1-CB 3.33Å; D528-F531 PolarHBondContact OD1-N 3.47Å; F531-R533 VanDerWaalsContact C-N 3.33Å; F531-R533 PolarHBondContact O-N 2.76Å; F531-D534 PolarHBondContact O-N 2.9Å; F531-V535 HydrophobicContact CD1-CG2 4.48Å; F531-V535 HydrophobicContact CD2-CG2 4.24Å; F531-V535 HydrophobicContact CE1-CG2 4.15Å; F531-V535 HydrophobicContact CE2-CG2 3.91Å; F531-V535 HydrophobicContact CZ-CG2 3.83Å; F531-V535 WeakPolarHBondContact O-CG2 3.17Å; F531-V535 PolarHBondContact O-N 2.63Å; F531-I803 HydrophobicContact CD1-CD1 3.77Å; F531-I803 HydrophobicContact CD1-CG1 4.27Å; F531-I803 HydrophobicContact CD1-CG2 4.39Å; F531-I803 HydrophobicContact CE1-CD1 3.94Å; F531-I803 HydrophobicContact CE1-CG1 3.91Å; F531-I803 HydrophobicContact CE1-CG2 3.79Å
532	I	98.7	Very high	98.4	Very high	11 Å²	11	51.5 Å²	51.5	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-48.4	172.8	-69.3	165.1	0	0	0	110.7	V526 D528 A530 D534 A536 T799 K800 I803	V526-I532 WeakPolarHBondContact O-CD1 3.5Å; D528-I532 WeakPolarHBondContact O-CD1 3.42Å; D528-I532 VanDerWaalsContact O-CG1 3.24Å; D528-I532 WeakPolarHBondContact O-CG1 3.34Å; D528-I532 PolarHBondContact O-N 2.99Å; A530-I532 PolarHBondContact O-N 3.38Å; I532-D534 VanDerWaalsContact C-N 3.34Å; I532-D534 PolarHBondContact O-N 2.91Å; I532-A536 WeakPolarHBondContact O-CB 3.32Å; I532-A536 PolarHBondContact O-N 2.6Å; I532-A536 VanDerWaalsContact O-N 3.09Å; I532-T799 HydrophobicContact CG2-CG2 3.95Å; I532-T799 WeakPolarHBondContact O-CG2 3.28Å; I532-K800 HydrophobicContact CD1-CD 4.47Å; I532-K800 HydrophobicContact CD1-CG 4.04Å; I532-K800 HydrophobicContact CG1-CG 4.46Å; I532-I803 HydrophobicContact CG1-CD1 3.89Å
533	R	98.6	Very high	98.4	Very high	148 Å²	148	51.6 Å²	51.6	56%	0.558	27%	0.266	S	S	*	.	H	α-helix	trans	-63.4	-42	179.4	179.5	-166.2	62.8	-128.7	-9.3	111.4	E529 A530 F531 A536 K537	E529-R533 WeakPolarHBondContact O-CB 3.27Å; E529-R533 PolarHBondContact O-N 3.01Å; E529-R533 VanDerWaalsContact O-N 3.16Å; A530-R533 WeakPolarHBondContact O-CB 3.26Å; A530-R533 PolarHBondContact O-N 3.08Å; A530-R533 VanDerWaalsContact O-N 3.13Å; F531-R533 VanDerWaalsContact C-N 3.33Å; F531-R533 PolarHBondContact O-N 2.76Å; R533-A536 PolarHBondContact O-N 2.66Å; R533-K537 VanDerWaalsContact O-CB 3.31Å; R533-K537 WeakPolarHBondContact O-CB 3.5Å; R533-K537 PolarHBondContact O-N 3.02Å
534	D	98.4	Very high	98.4	Very high	33 Å²	33	52.7 Å²	52.7	18%	0.176	27%	0.272	C	S	.	.	H	α-helix	trans	-70.8	-41.6	-174.7	-58.7	-20.4	0	0	0	110.8	T503 A530 F531 I532 A536 K537 V538	T503-D534 HydrophobicContact CG2-CB 3.98Å; A530-D534 WeakPolarHBondContact O-CB 3.36Å; A530-D534 PolarHBondContact O-N 3.15Å; A530-D534 VanDerWaalsContact O-OD2 3.08Å; F531-D534 PolarHBondContact O-N 2.9Å; I532-D534 VanDerWaalsContact C-N 3.34Å; I532-D534 PolarHBondContact O-N 2.91Å; D534-A536 PolarHBondContact O-N 3.12Å; D534-K537 WeakPolarHBondContact O-CB 3.26Å; D534-K537 PolarHBondContact O-N 3.05Å; D534-V538 WeakPolarHBondContact O-CG2 3.44Å; D534-V538 PolarHBondContact O-N 2.68Å
535	V	98.7	Very high	98.3	Very high	8 Å²	8	53.2 Å²	53.2	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-44.4	172	173.3	0	0	0	0	111.6	L500 T503 F531 K537 V538 K539 T799 V802 I803 I806	L500-V535 HydrophobicContact CD1-CG2 4.49Å; T503-V535 HydrophobicContact CG2-CG2 4.38Å; F531-V535 HydrophobicContact CD1-CG2 4.48Å; F531-V535 HydrophobicContact CD2-CG2 4.24Å; F531-V535 HydrophobicContact CE1-CG2 4.15Å; F531-V535 HydrophobicContact CE2-CG2 3.91Å; F531-V535 HydrophobicContact CZ-CG2 3.83Å; F531-V535 WeakPolarHBondContact O-CG2 3.17Å; F531-V535 PolarHBondContact O-N 2.63Å; V535-K537 VanDerWaalsContact C-N 3.34Å; V535-K537 PolarHBondContact O-N 2.99Å; V535-V538 PolarHBondContact O-N 3.3Å; V535-K539 PolarHBondContact O-N 2.9Å; V535-K539 VanDerWaalsContact O-N 3.16Å; V535-T799 HydrophobicContact CB-CG2 4.26Å; V535-T799 HydrophobicContact CG1-CG2 4.14Å; V535-V802 HydrophobicContact CG1-CG1 4.14Å; V535-I803 HydrophobicContact CB-CG1 4.49Å; V535-I803 HydrophobicContact CG1-CG1 4.36Å; V535-I803 HydrophobicContact CG2-CD1 4.46Å; V535-I803 HydrophobicContact CG2-CG1 4.18Å; V535-I806 HydrophobicContact CG1-CD1 4.48Å
536	A	98.6	Very high	98.4	Very high	41 Å²	41	51.5 Å²	51.5	34%	0.339	25%	0.254	S	S	.	.	H	α-helix	trans	-64.1	-39.2	177.3	0	0	0	0	0	112.2	I532 R533 D534 K539 Q540 T799	I532-A536 WeakPolarHBondContact O-CB 3.32Å; I532-A536 PolarHBondContact O-N 2.6Å; I532-A536 VanDerWaalsContact O-N 3.09Å; R533-A536 PolarHBondContact O-N 2.66Å; D534-A536 PolarHBondContact O-N 3.12Å; A536-K539 PolarHBondContact O-N 3.41Å; A536-Q540 PolarHBondContact O-N 3.27Å; A536-T799 HydrophobicContact CB-CG2 4.27Å
537	K	98.6	Very high	98.4	Very high	112 Å²	112	51.4 Å²	51.4	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-48.7	176.5	178.4	-171	168.8	-161.8	0	111.1	R533 D534 V535 K539 Q540 E541	R533-K537 VanDerWaalsContact O-CB 3.31Å; R533-K537 WeakPolarHBondContact O-CB 3.5Å; R533-K537 PolarHBondContact O-N 3.02Å; D534-K537 WeakPolarHBondContact O-CB 3.26Å; D534-K537 PolarHBondContact O-N 3.05Å; V535-K537 VanDerWaalsContact C-N 3.34Å; V535-K537 PolarHBondContact O-N 2.99Å; K537-K539 VanDerWaalsContact C-N 3.32Å; K537-K539 PolarHBondContact O-N 3.35Å; K537-Q540 PolarHBondContact O-N 2.87Å; K537-Q540 VanDerWaalsContact O-N 3.12Å; K537-E541 VanDerWaalsContact CE-OE1 3.26Å; K537-E541 WeakPolarHBondContact CE-OE1 3.25Å; K537-E541 PolarHBondContact O-N 2.89Å
538	V	98.6	Very high	98.3	Very high	10 Å²	10	49.4 Å²	49.4	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-44.5	178.6	171	0	0	0	0	111.1	L500 D534 V535 Q540 E541 N542	L500-V538 HydrophobicContact CB-CG1 3.95Å; D534-V538 WeakPolarHBondContact O-CG2 3.44Å; D534-V538 PolarHBondContact O-N 2.68Å; V535-V538 PolarHBondContact O-N 3.3Å; V538-Q540 VanDerWaalsContact C-N 3.31Å; V538-Q540 PolarHBondContact O-N 3.05Å; V538-E541 PolarHBondContact O-N 2.65Å; V538-N542 PolarHBondContact O-N 3.38Å; V538-N542 PolarHBondContact O-ND2 3.33Å
539	K	98.8	Very high	98.2	Very high	25 Å²	25	48.4 Å²	48.4	11%	0.109	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-44.7	175.4	-178	60.1	59.5	179.6	0	111.4	V535 A536 K537 N542 K543 P659 A661 N685	V535-K539 PolarHBondContact O-N 2.9Å; V535-K539 VanDerWaalsContact O-N 3.16Å; A536-K539 PolarHBondContact O-N 3.41Å; K537-K539 VanDerWaalsContact C-N 3.32Å; K537-K539 PolarHBondContact O-N 3.35Å; K539-N542 PolarHBondContact O-N 3.08Å; K539-K543 HydrophobicContact CD-CD 4.32Å; K539-K543 HydrophobicContact CD-CG 4.45Å; K539-K543 HydrophobicContact CG-CD 4.1Å; K539-K543 VanDerWaalsContact O-CG 3.29Å; K539-K543 WeakPolarHBondContact O-CG 3.49Å; K539-K543 PolarHBondContact O-N 3.02Å; K539-P659 PolarHBondContact NZ-O 3.07Å; K539-A661 WeakPolarHBondContact CE-O 3.47Å; K539-A661 PolarHBondContact NZ-O 3.35Å; K539-N685 PolarHBondContact NZ-O 3.43Å
540	Q	98.6	Very high	98	Very high	67 Å²	67	43.4 Å²	43.4	31%	0.313	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-40.3	178.7	-169.6	60.2	38.6	0	0	112.6	A536 K537 V538 K543 L544 P560	A536-Q540 PolarHBondContact O-N 3.27Å; K537-Q540 PolarHBondContact O-N 2.87Å; K537-Q540 VanDerWaalsContact O-N 3.12Å; V538-Q540 VanDerWaalsContact C-N 3.31Å; V538-Q540 PolarHBondContact O-N 3.05Å; Q540-K543 PolarHBondContact O-N 3Å; Q540-L544 HydrophobicContact CG-CD1 4.39Å; Q540-L544 WeakPolarHBondContact O-CG 3.48Å; Q540-L544 PolarHBondContact O-N 2.91Å; Q540-P560 PolarHBondContact NE2-O 3.24Å
541	E	98.6	Very high	97.8	Very high	69 Å²	69	46.6 Å²	46.6	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-43.7	175.1	-72.2	179	155.3	0	0	111.2	K10 K537 V538 K543 L544 K545	K10-E541 IonicContact NZ-OE1 2.9Å; K10-E541 PolarHBondContact NZ-OE1 2.81Å; K537-E541 VanDerWaalsContact CE-OE1 3.26Å; K537-E541 WeakPolarHBondContact CE-OE1 3.25Å; K537-E541 PolarHBondContact O-N 2.89Å; V538-E541 PolarHBondContact O-N 2.65Å; E541-K543 PolarHBondContact O-N 3.28Å; E541-L544 PolarHBondContact O-N 3.06Å; E541-K545 PolarHBondContact O-N 3.03Å
542	N	98.7	Very high	97.5	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.16	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-41	175.4	-69.9	-20.6	0	0	0	112.4	N497 V538 K539 K545 F546 P659 A660	N497-N542 PolarHBondContact OD1-ND2 3.06Å; V538-N542 PolarHBondContact O-N 3.38Å; V538-N542 PolarHBondContact O-ND2 3.33Å; K539-N542 PolarHBondContact O-N 3.08Å; N542-K545 PolarHBondContact O-N 3.47Å; N542-F546 WeakPolarHBondContact O-CB 3.02Å; N542-F546 PolarHBondContact O-N 2.86Å; N542-P659 HydrophobicContact CB-CB 4.25Å; N542-P659 WeakPolarHBondContact CB-O 3.26Å; N542-P659 PolarHBondContact ND2-O 3.29Å; N542-A660 HydrophobicContact CB-CB 4.5Å
543	K	98.8	Very high	96.9	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-40.5	175.9	-72.8	172.9	66.5	173.1	0	112.3	K539 Q540 E541 S547 P560 S562 F564 A660 D662 Y792	K539-K543 HydrophobicContact CD-CD 4.32Å; K539-K543 HydrophobicContact CD-CG 4.45Å; K539-K543 HydrophobicContact CG-CD 4.1Å; K539-K543 VanDerWaalsContact O-CG 3.29Å; K539-K543 WeakPolarHBondContact O-CG 3.49Å; K539-K543 PolarHBondContact O-N 3.02Å; Q540-K543 PolarHBondContact O-N 3Å; E541-K543 PolarHBondContact O-N 3.28Å; K543-S547 WeakPolarHBondContact O-CB 3.38Å; K543-S547 PolarHBondContact O-N 2.94Å; K543-S547 PolarHBondContact O-OG 3.24Å; K543-P560 WeakPolarHBondContact CE-O 3.32Å; K543-P560 PolarHBondContact NZ-O 3.46Å; K543-S562 WeakPolarHBondContact CE-O 3.46Å; K543-S562 PolarHBondContact NZ-O 3.45Å; K543-F564 HydrophobicContact CB-CD2 4.34Å; K543-F564 HydrophobicContact CB-CE2 3.88Å; K543-F564 HydrophobicContact CB-CZ 4.21Å; K543-F564 HydrophobicContact CD-CD2 4.47Å; K543-F564 HydrophobicContact CG-CD2 3.79Å; K543-F564 HydrophobicContact CG-CE2 3.87Å; K543-F564 HydrophobicContact CG-CG 4.33Å; K543-F564 HydrophobicContact CG-CZ 4.45Å; K543-A660 HydrophobicContact CG-CB 4.46Å; K543-A660 WeakPolarHBondContact CG-O 2.97Å; K543-D662 VanDerWaalsContact CE-OD2 3.3Å; K543-D662 WeakPolarHBondContact CE-OD2 3.3Å; K543-D662 IonicContact NZ-OD1 2.72Å; K543-D662 IonicContact NZ-OD2 2.86Å; K543-D662 PolarHBondContact NZ-OD2 3.03Å; K543-Y792 PolarHBondContact NZ-OH 3.27Å
544	L	98.6	Very high	96.3	Very high	90 Å²	90	53.9 Å²	53.9	47%	0.471	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-46.7	174.9	-72.7	167.3	0	0	0	111.2	Q540 E541 F546 S547 A548 P560	Q540-L544 HydrophobicContact CG-CD1 4.39Å; Q540-L544 WeakPolarHBondContact O-CG 3.48Å; Q540-L544 PolarHBondContact O-N 2.91Å; E541-L544 PolarHBondContact O-N 3.06Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 3.28Å; L544-S547 PolarHBondContact O-N 3.1Å; L544-A548 PolarHBondContact O-N 2.82Å; L544-P560 HydrophobicContact CD2-CB 3.79Å; L544-P560 HydrophobicContact CD2-CG 3.77Å; L544-P560 HydrophobicContact CG-CB 4.45Å
545	K	97.1	Very high	95.8	Very high	119 Å²	119	60.2 Å²	60.2	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-58.9	-44.2	176.6	-171.3	171.5	-174.7	169.8	0	111.4	E121 E541 N542 A548 F549	E121-K545 IonicContact OE1-NZ 2.65Å; E121-K545 PolarHBondContact OE1-NZ 3.02Å; E121-K545 IonicContact OE2-NZ 3.37Å; E121-K545 PolarHBondContact OE2-NZ 3.43Å; E541-K545 PolarHBondContact O-N 3.03Å; N542-K545 PolarHBondContact O-N 3.47Å; K545-A548 PolarHBondContact O-N 3.25Å; K545-F549 PolarHBondContact O-N 3.32Å
546	F	98.3	Very high	95.3	Very high	5 Å²	5	61.9 Å²	61.9	2%	0.022	30%	0.302	C	S	.	.	H	α-helix	trans	-69.3	-37.3	178.9	-168.3	-111.4	0	0	0	113	N542 L544 F549 L550 F564 M605 L646 L653 K656 V657 A660	N542-F546 WeakPolarHBondContact O-CB 3.02Å; N542-F546 PolarHBondContact O-N 2.86Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-F546 PolarHBondContact O-N 3.28Å; F546-F549 HydrophobicContact CD2-CD1 4.04Å; F546-F549 AromaticContact CE2-CD1 3.83Å; F546-F549 HydrophobicContact CE2-CD1 3.83Å; F546-F549 HydrophobicContact CE2-CE1 4.14Å; F546-F549 WeakPolarHBondContact O-CB 3.28Å; F546-F549 PolarHBondContact O-N 3.37Å; F546-L550 HydrophobicContact CD1-CD1 4.07Å; F546-L550 HydrophobicContact CD1-CG 4.3Å; F546-L550 HydrophobicContact CE1-CD1 3.66Å; F546-L550 HydrophobicContact CE1-CD2 4.18Å; F546-L550 HydrophobicContact CE1-CG 3.94Å; F546-L550 HydrophobicContact CZ-CD1 4.29Å; F546-L550 HydrophobicContact CZ-CD2 3.95Å; F546-L550 HydrophobicContact CZ-CG 4.16Å; F546-L550 WeakPolarHBondContact O-CG 3.39Å; F546-L550 PolarHBondContact O-N 3.06Å; F546-F564 HydrophobicContact CD1-CE2 4.13Å; F546-M605 HydrophobicContact CD1-SD 4.31Å; F546-M605 HydrophobicContact CE1-SD 3.59Å; F546-M605 VanDerWaalsContact CE1-SD 3.59Å; F546-L646 HydrophobicContact CZ-CD1 4.34Å; F546-L646 HydrophobicContact CZ-CD2 4.14Å; F546-L653 HydrophobicContact CE2-CD1 4.3Å; F546-K656 HydrophobicContact CD2-CB 3.94Å; F546-K656 HydrophobicContact CE2-CB 4Å; F546-V657 HydrophobicContact CE1-CB 4.34Å; F546-V657 HydrophobicContact CE1-CG2 3.88Å; F546-V657 HydrophobicContact CE2-CB 3.86Å; F546-V657 HydrophobicContact CE2-CG2 4.3Å; F546-V657 HydrophobicContact CZ-CB 3.72Å; F546-V657 HydrophobicContact CZ-CG2 3.69Å; F546-A660 HydrophobicContact CB-CB 3.6Å; F546-A660 HydrophobicContact CD1-CB 4.26Å; F546-A660 HydrophobicContact CG-CB 3.97Å
547	S	97.9	Very high	95	Very high	11 Å²	11	67.3 Å²	67.3	8%	0.077	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-43.5	174.8	-56.6	0	0	0	0	111.5	K543 L544 F549 L550 E551 F564	K543-S547 WeakPolarHBondContact O-CB 3.38Å; K543-S547 PolarHBondContact O-N 2.94Å; K543-S547 PolarHBondContact O-OG 3.24Å; L544-S547 PolarHBondContact O-N 3.1Å; S547-F549 VanDerWaalsContact C-N 3.33Å; S547-F549 PolarHBondContact O-N 3.4Å; S547-L550 PolarHBondContact O-N 3.33Å; S547-E551 PolarHBondContact O-N 2.92Å; S547-F564 WeakPolarHBondContact OG-CZ 3.22Å
548	A	96.8	Very high	94.8	Very high	57 Å²	57	62.6 Å²	62.6	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-38.4	175.8	0	0	0	0	0	112.1	L544 K545 E551 K552	L544-A548 PolarHBondContact O-N 2.82Å; K545-A548 PolarHBondContact O-N 3.25Å; A548-E551 PolarHBondContact O-N 2.83Å; A548-K552 VanDerWaalsContact O-CB 3.31Å; A548-K552 WeakPolarHBondContact O-CB 3.37Å; A548-K552 PolarHBondContact O-N 3.02Å
549	F	95.5	Very high	94.8	Very high	39 Å²	39	63.9 Å²	63.9	17%	0.171	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-46.9	172.8	167.5	-97.2	0	0	0	112	K545 F546 S547 E551 K552 E553 Y554 L653 K656	K545-F549 PolarHBondContact O-N 3.32Å; F546-F549 HydrophobicContact CD2-CD1 4.04Å; F546-F549 AromaticContact CE2-CD1 3.83Å; F546-F549 HydrophobicContact CE2-CD1 3.83Å; F546-F549 HydrophobicContact CE2-CE1 4.14Å; F546-F549 WeakPolarHBondContact O-CB 3.28Å; F546-F549 PolarHBondContact O-N 3.37Å; S547-F549 VanDerWaalsContact C-N 3.33Å; S547-F549 PolarHBondContact O-N 3.4Å; F549-E551 VanDerWaalsContact C-N 3.33Å; F549-E551 PolarHBondContact O-N 2.85Å; F549-K552 PolarHBondContact O-N 3.4Å; F549-E553 HydrophobicContact CD2-CG 3.72Å; F549-E553 HydrophobicContact CE2-CB 4.37Å; F549-E553 HydrophobicContact CE2-CG 3.5Å; F549-E553 VanDerWaalsContact CE2-CG 3.5Å; F549-E553 HydrophobicContact CG-CG 4.48Å; F549-E553 HydrophobicContact CZ-CB 4.49Å; F549-E553 HydrophobicContact CZ-CG 4.07Å; F549-E553 WeakPolarHBondContact O-CB 3.44Å; F549-E553 WeakPolarHBondContact O-CG 3.36Å; F549-E553 PolarHBondContact O-N 2.93Å; F549-Y554 AromaticContact CE1-CE2 3.79Å; F549-Y554 HydrophobicContact CE1-CE2 3.79Å; F549-Y554 HydrophobicContact CZ-CE2 4.1Å; F549-L653 HydrophobicContact CE1-CD1 3.63Å; F549-L653 HydrophobicContact CZ-CD1 3.94Å; F549-K656 HydrophobicContact CD1-CD 4.37Å; F549-K656 HydrophobicContact CD2-CD 3.91Å; F549-K656 HydrophobicContact CE1-CD 4.21Å; F549-K656 HydrophobicContact CE2-CD 3.73Å; F549-K656 HydrophobicContact CG-CD 4.23Å; F549-K656 HydrophobicContact CZ-CD 3.91Å
550	L	94.4	Very high	94.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-37.8	178.1	-68.3	-178.6	0	0	0	112.7	F546 S547 Y554 K555 V556 I558 M605 L646	F546-L550 HydrophobicContact CD1-CD1 4.07Å; F546-L550 HydrophobicContact CD1-CG 4.3Å; F546-L550 HydrophobicContact CE1-CD1 3.66Å; F546-L550 HydrophobicContact CE1-CD2 4.18Å; F546-L550 HydrophobicContact CE1-CG 3.94Å; F546-L550 HydrophobicContact CZ-CD1 4.29Å; F546-L550 HydrophobicContact CZ-CD2 3.95Å; F546-L550 HydrophobicContact CZ-CG 4.16Å; F546-L550 WeakPolarHBondContact O-CG 3.39Å; F546-L550 PolarHBondContact O-N 3.06Å; S547-L550 PolarHBondContact O-N 3.33Å; L550-Y554 HydrophobicContact CD2-CD2 3.59Å; L550-Y554 HydrophobicContact CD2-CE2 3.97Å; L550-Y554 CarbonylContact O-C 3.58Å; L550-Y554 WeakPolarHBondContact O-CA 3.46Å; L550-Y554 WeakPolarHBondContact O-CB 3.43Å; L550-Y554 PolarHBondContact O-N 3.25Å; L550-K555 PolarHBondContact O-N 2.91Å; L550-K555 VanDerWaalsContact O-N 3.14Å; L550-V556 CarbonylContact C-O 3.6Å; L550-V556 PolarHBondContact O-N 2.89Å; L550-I558 HydrophobicContact CD1-CD1 3.68Å; L550-I558 HydrophobicContact CD1-CG1 4.43Å; L550-M605 HydrophobicContact CD1-SD 4.44Å; L550-L646 HydrophobicContact CD2-CD2 3.82Å
551	E	94.1	Very high	94.6	Very high	98 Å²	98	65 Å²	65	46%	0.458	32%	0.322	S	S	.	.	H	α-helix	trans	-69.4	-39.5	176.2	-173.6	167.6	-159.6	0	0	111.7	S547 A548 F549 K555 V556	S547-E551 PolarHBondContact O-N 2.92Å; A548-E551 PolarHBondContact O-N 2.83Å; F549-E551 VanDerWaalsContact C-N 3.33Å; F549-E551 PolarHBondContact O-N 2.85Å; E551-K555 VanDerWaalsContact O-CA 3.28Å; E551-K555 WeakPolarHBondContact O-CA 3.42Å; E551-K555 WeakPolarHBondContact O-CD 3.23Å; E551-K555 PolarHBondContact O-N 3.38Å; E551-V556 WeakPolarHBondContact CA-O 3.28Å; E551-V556 PolarHBondContact N-O 2.9Å
552	K	91.3	Very high	94.6	Very high	146 Å²	146	61.7 Å²	61.7	64%	0.635	31%	0.307	S	S	*	.	H	α-helix	trans	-66.7	-53.8	177.8	-176.6	-175.8	170.7	-174.7	0	111.8	A548 F549 K555	A548-K552 VanDerWaalsContact O-CB 3.31Å; A548-K552 WeakPolarHBondContact O-CB 3.37Å; A548-K552 PolarHBondContact O-N 3.02Å; F549-K552 PolarHBondContact O-N 3.4Å; K552-K555 PolarHBondContact O-NZ 3.13Å
553	E	86.1	Confident	94.6	Very high	100 Å²	100	60.2 Å²	60.2	47%	0.467	30%	0.299	S	S	.	.	H	α-helix	trans	-86	-41	-169.2	-61.4	-55.2	131.1	0	0	112.8	F549	F549-E553 HydrophobicContact CD2-CG 3.72Å; F549-E553 HydrophobicContact CE2-CB 4.37Å; F549-E553 HydrophobicContact CE2-CG 3.5Å; F549-E553 VanDerWaalsContact CE2-CG 3.5Å; F549-E553 HydrophobicContact CG-CG 4.48Å; F549-E553 HydrophobicContact CZ-CB 4.49Å; F549-E553 HydrophobicContact CZ-CG 4.07Å; F549-E553 WeakPolarHBondContact O-CB 3.44Å; F549-E553 WeakPolarHBondContact O-CG 3.36Å; F549-E553 PolarHBondContact O-N 2.93Å
554	Y	85.3	Confident	94.6	Very high	69 Å²	69	60.1 Å²	60.1	27%	0.271	30%	0.299	S	S	.	.	H	α-helix	trans	-110.7	-1.7	-173.6	-56.2	-68.2	0	0	0	113.7	F549 L550 V556 E647	F549-Y554 AromaticContact CE1-CE2 3.79Å; F549-Y554 HydrophobicContact CE1-CE2 3.79Å; F549-Y554 HydrophobicContact CZ-CE2 4.1Å; L550-Y554 HydrophobicContact CD2-CD2 3.59Å; L550-Y554 HydrophobicContact CD2-CE2 3.97Å; L550-Y554 CarbonylContact O-C 3.58Å; L550-Y554 WeakPolarHBondContact O-CA 3.46Å; L550-Y554 WeakPolarHBondContact O-CB 3.43Å; L550-Y554 PolarHBondContact O-N 3.25Å; Y554-V556 PolarHBondContact O-N 3.2Å; Y554-E647 HydrophobicContact CE1-CB 3.95Å; Y554-E647 PolarHBondContact OH-O 3.36Å
555	K	89.3	Confident	94.7	Very high	165 Å²	165	55.9 Å²	55.9	72%	0.717	28%	0.276	S	S	*	.			trans	57.7	27.9	-177.6	-49.3	-51.7	-176.8	-162.2	0	113.3	L550 E551 K552	L550-K555 PolarHBondContact O-N 2.91Å; L550-K555 VanDerWaalsContact O-N 3.14Å; E551-K555 VanDerWaalsContact O-CA 3.28Å; E551-K555 WeakPolarHBondContact O-CA 3.42Å; E551-K555 WeakPolarHBondContact O-CD 3.23Å; E551-K555 PolarHBondContact O-N 3.38Å; K552-K555 PolarHBondContact O-NZ 3.13Å
556	V	87.6	Confident	94.7	Very high	43 Å²	43	50.2 Å²	50.2	26%	0.261	25%	0.251	S	S	.	.			trans	-105.1	116.4	179	176.9	0	0	0	0	109.5	L550 E551 Y554 I558 I644	L550-V556 CarbonylContact C-O 3.6Å; L550-V556 PolarHBondContact O-N 2.89Å; E551-V556 WeakPolarHBondContact CA-O 3.28Å; E551-V556 PolarHBondContact N-O 2.9Å; Y554-V556 PolarHBondContact O-N 3.2Å; V556-I558 HydrophobicContact CG1-CG2 3.88Å; V556-I644 HydrophobicContact CG1-CD1 3.44Å; V556-I644 VanDerWaalsContact CG1-CD1 3.44Å; V556-I644 HydrophobicContact CG1-CG1 4.15Å
557	K	91.8	Very high	94.8	Very high	156 Å²	156	50 Å²	50	68%	0.678	25%	0.25	S	S	*	.			trans	-89.4	125.1	172.8	-171.3	173.2	-175.9	172.2	0	110.7
558	I	95.4	Very high	94.8	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.067	25%	0.249	C	C	.	.			trans	-121.8	160.2	177.1	62.4	168.3	0	0	0	111.5	L550 V556 P560 F564 T603 I644	L550-I558 HydrophobicContact CD1-CD1 3.68Å; L550-I558 HydrophobicContact CD1-CG1 4.43Å; V556-I558 HydrophobicContact CG1-CG2 3.88Å; I558-P560 VanDerWaalsContact O-CD 3.3Å; I558-P560 WeakPolarHBondContact O-CD 3.46Å; I558-F564 HydrophobicContact CD1-CE1 3.85Å; I558-F564 HydrophobicContact CD1-CE2 4.11Å; I558-F564 HydrophobicContact CD1-CZ 3.4Å; I558-F564 VanDerWaalsContact CD1-CZ 3.4Å; I558-F564 HydrophobicContact CG1-CZ 4.36Å; I558-T603 HydrophobicContact CB-CG2 4.19Å; I558-T603 HydrophobicContact CD1-CG2 4.04Å; I558-T603 HydrophobicContact CG2-CG2 3.95Å; I558-I644 HydrophobicContact CG2-CD1 4.44Å; I558-I644 HydrophobicContact CG2-CG1 4.19Å
559	N	96.9	Very high	94.7	Very high	36 Å²	36	48.1 Å²	48.1	19%	0.193	23%	0.231	C	C	.	.			trans	-85.8	109.5	176.7	178.2	-7.3	0	0	0	109.9	S561 S562 D639	N559-S561 PolarHBondContact O-N 2.75Å; N559-S561 WeakPolarHBondContact OD1-CA 3.41Å; N559-S561 VanDerWaalsContact OD1-CB 3.28Å; N559-S561 WeakPolarHBondContact OD1-CB 3.32Å; N559-S561 PolarHBondContact OD1-N 3.45Å; N559-S562 WeakPolarHBondContact O-CB 3.31Å; N559-S562 PolarHBondContact O-N 2.87Å; N559-S562 VanDerWaalsContact O-N 3.1Å; N559-S562 PolarHBondContact O-OG 3.37Å; N559-D639 HydrophobicContact CB-CB 4.45Å; N559-D639 PolarHBondContact ND2-OD2 3.27Å
560	P	97.4	Very high	94.7	Very high	32 Å²	32	51.9 Å²	51.9	21%	0.208	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-9.7	-178.5	30.4	-36.5	0	0	0	113.8	Q540 K543 L544 I558	Q540-P560 PolarHBondContact NE2-O 3.24Å; K543-P560 WeakPolarHBondContact CE-O 3.32Å; K543-P560 PolarHBondContact NZ-O 3.46Å; L544-P560 HydrophobicContact CD2-CB 3.79Å; L544-P560 HydrophobicContact CD2-CG 3.77Å; L544-P560 HydrophobicContact CG-CB 4.45Å; I558-P560 VanDerWaalsContact O-CD 3.3Å; I558-P560 WeakPolarHBondContact O-CD 3.46Å
561	S	97.4	Very high	94.8	Very high	83 Å²	83	51.9 Å²	51.9	58%	0.58	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-16.1	173.6	-55.2	0	0	0	0	112.6	N559	N559-S561 PolarHBondContact O-N 2.75Å; N559-S561 WeakPolarHBondContact OD1-CA 3.41Å; N559-S561 VanDerWaalsContact OD1-CB 3.28Å; N559-S561 WeakPolarHBondContact OD1-CB 3.32Å; N559-S561 PolarHBondContact OD1-N 3.45Å
562	S	98.4	Very high	94.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-66.6	157.7	173.6	71.3	0	0	0	0	111.3	K543 N559 F564 P601 T603 Y792	K543-S562 WeakPolarHBondContact CE-O 3.46Å; K543-S562 PolarHBondContact NZ-O 3.45Å; N559-S562 WeakPolarHBondContact O-CB 3.31Å; N559-S562 PolarHBondContact O-N 2.87Å; N559-S562 VanDerWaalsContact O-N 3.1Å; N559-S562 PolarHBondContact O-OG 3.37Å; S562-F564 PolarHBondContact O-N 2.84Å; S562-P601 CarbonylContact C-O 3.54Å; S562-P601 WeakPolarHBondContact CA-O 3.49Å; S562-P601 WeakPolarHBondContact CB-O 2.98Å; S562-T603 PolarHBondContact OG-OG1 3.31Å; S562-Y792 PolarHBondContact O-OH 3.06Å
563	M	98.8	Very high	95.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.7	169.6	-174.8	175.6	62.1	0	0	109.8	D565 P601 R602 T603 D662 L663 V788 Y792 W798	M563-D565 PolarHBondContact O-N 2.83Å; M563-P601 PolarHBondContact N-O 3.33Å; M563-R602 HydrophobicContact CB-CG 4.4Å; M563-R602 HydrophobicContact CE-CG 3.83Å; M563-T603 PolarHBondContact O-N 3Å; M563-D662 HydrophobicContact CG-CB 3.77Å; M563-L663 HydrophobicContact CE-CD2 4.16Å; M563-L663 HydrophobicContact SD-CB 4.16Å; M563-V788 HydrophobicContact CE-CG1 3.91Å; M563-V788 HydrophobicContact SD-CG1 3.7Å; M563-Y792 WeakPolarHBondContact CA-OH 3.46Å; M563-Y792 HydrophobicContact CB-CD1 4.15Å; M563-Y792 HydrophobicContact CB-CD2 4.12Å; M563-Y792 HydrophobicContact CB-CE1 3.82Å; M563-Y792 HydrophobicContact CB-CE2 3.8Å; M563-Y792 HydrophobicContact CB-CG 4.29Å; M563-Y792 HydrophobicContact CG-CD2 3.87Å; M563-Y792 HydrophobicContact CG-CE2 3.71Å; M563-Y792 HydrophobicContact CG-CG 4.39Å; M563-Y792 HydrophobicContact SD-CD2 3.8Å; M563-Y792 HydrophobicContact SD-CE2 4.28Å; M563-Y792 HydrophobicContact SD-CG 4.1Å; M563-W798 HydrophobicContact SD-CH2 3.95Å; M563-W798 HydrophobicContact SD-CZ3 4.46Å
564	F	98.9	Very high	95.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	101.2	174.4	-78.8	16.1	0	0	0	109.6	K543 F546 S547 I558 S562 M605 A660 D662 L663	K543-F564 HydrophobicContact CB-CD2 4.34Å; K543-F564 HydrophobicContact CB-CE2 3.88Å; K543-F564 HydrophobicContact CB-CZ 4.21Å; K543-F564 HydrophobicContact CD-CD2 4.47Å; K543-F564 HydrophobicContact CG-CD2 3.79Å; K543-F564 HydrophobicContact CG-CE2 3.87Å; K543-F564 HydrophobicContact CG-CG 4.33Å; K543-F564 HydrophobicContact CG-CZ 4.45Å; F546-F564 HydrophobicContact CD1-CE2 4.13Å; S547-F564 WeakPolarHBondContact OG-CZ 3.22Å; I558-F564 HydrophobicContact CD1-CE1 3.85Å; I558-F564 HydrophobicContact CD1-CE2 4.11Å; I558-F564 HydrophobicContact CD1-CZ 3.4Å; I558-F564 VanDerWaalsContact CD1-CZ 3.4Å; I558-F564 HydrophobicContact CG1-CZ 4.36Å; S562-F564 PolarHBondContact O-N 2.84Å; F564-M605 HydrophobicContact CB-CE 3.52Å; F564-M605 HydrophobicContact CD1-CE 3.91Å; F564-M605 HydrophobicContact CD2-CE 3.53Å; F564-M605 HydrophobicContact CE2-CE 4.18Å; F564-M605 HydrophobicContact CG-CE 3.37Å; F564-A660 HydrophobicContact CD2-CB 4.21Å; F564-A660 WeakPolarHBondContact CD2-O 3.5Å; F564-A660 HydrophobicContact CE2-CB 4.46Å; F564-D662 PolarHBondContact N-OD2 3.05Å; F564-D662 PolarHBondContact O-N 3.26Å; F564-L663 PolarHBondContact O-N 3.09Å
565	D	98.9	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	107.4	-178.4	-175.4	-15	0	0	0	109.5	M563 R602 T603 V604 M605 L663 Q665	M563-D565 PolarHBondContact O-N 2.83Å; D565-R602 IonicContact OD2-NH1 3.52Å; D565-R602 PolarHBondContact OD2-NH1 2.98Å; D565-T603 PolarHBondContact N-O 3.38Å; D565-V604 HydrophobicContact CB-CG2 4.2Å; D565-V604 CarbonylContact O-C 3.49Å; D565-V604 WeakPolarHBondContact O-CA 3.43Å; D565-M605 PolarHBondContact O-N 3.4Å; D565-L663 HydrophobicContact CB-CD2 4.49Å; D565-Q665 VanDerWaalsContact OD1-CG 3.26Å; D565-Q665 WeakPolarHBondContact OD1-CG 3.46Å; D565-Q665 PolarHBondContact OD1-NE2 3.39Å; D565-Q665 PolarHBondContact OD2-NE2 3.23Å
566	V	98.9	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.6	-164.1	-175.6	0	0	0	0	112	V568 M605 V657 A661 L663 Q665 F682	V566-V568 HydrophobicContact CG1-CB 4.39Å; V566-V568 HydrophobicContact CG1-CG1 3.74Å; V566-V568 HydrophobicContact CG1-CG2 3.95Å; V566-M605 CarbonylContact C-O 3.27Å; V566-M605 WeakPolarHBondContact CA-O 3.29Å; V566-M605 HydrophobicContact CG2-CB 4.33Å; V566-M605 HydrophobicContact CG2-CE 3.88Å; V566-V657 HydrophobicContact CG1-CG2 3.79Å; V566-V657 HydrophobicContact CG2-CG2 4.13Å; V566-A661 HydrophobicContact CB-CB 4.05Å; V566-A661 HydrophobicContact CG2-CB 3.62Å; V566-L663 PolarHBondContact N-O 3.43Å; V566-Q665 PolarHBondContact O-N 3Å; V566-F682 HydrophobicContact CB-CE1 4.37Å; V566-F682 HydrophobicContact CB-CZ 4.32Å; V566-F682 HydrophobicContact CG1-CE1 4.25Å; V566-F682 HydrophobicContact CG1-CZ 3.85Å
567	H	98.8	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	83.5	173.1	-162.1	167.9	0	0	0	110.7	K569 K575 M605 I606 G607 Q665	H567-K569 VanDerWaalsContact NE2-CD 3.34Å; H567-K569 WeakPolarHBondContact NE2-CD 3.4Å; H567-K569 WeakPolarHBondContact NE2-CE 3.4Å; H567-K569 PolarHBondContact NE2-NZ 3.19Å; H567-K575 PolarHBondContact CE1-O 3.25Å; H567-K575 VanDerWaalsContact CE1-O 3.3Å; H567-M605 PolarHBondContact N-O 3.16Å; H567-I606 HydrophobicContact CB-CG1 4.27Å; H567-I606 WeakPolarHBondContact O-CA 3.31Å; H567-G607 PolarHBondContact O-N 3Å; H567-Q665 HydrophobicContact CB-CB 3.65Å; H567-Q665 HydrophobicContact CB-CG 3.94Å
568	V	98.4	Very high	97.5	Very high	7 Å²	7	20.2 Å²	20.2	4%	0.042	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.9	180	-65	0	0	0	0	112.7	V566 G607 L646 Y649 V657 F682	V566-V568 HydrophobicContact CG1-CB 4.39Å; V566-V568 HydrophobicContact CG1-CG1 3.74Å; V566-V568 HydrophobicContact CG1-CG2 3.95Å; V568-G607 VanDerWaalsContact CA-O 3.26Å; V568-G607 WeakPolarHBondContact CA-O 3.23Å; V568-L646 HydrophobicContact CG1-CD1 3.83Å; V568-Y649 HydrophobicContact CB-CD2 3.82Å; V568-Y649 HydrophobicContact CB-CE1 4.28Å; V568-Y649 HydrophobicContact CB-CE2 3.53Å; V568-Y649 HydrophobicContact CB-CG 4.32Å; V568-Y649 HydrophobicContact CG1-CD2 4.1Å; V568-Y649 HydrophobicContact CG1-CE2 4.15Å; V568-Y649 HydrophobicContact CG2-CD2 4.37Å; V568-Y649 HydrophobicContact CG2-CE2 3.6Å; V568-V657 HydrophobicContact CG2-CG1 4.22Å; V568-F682 HydrophobicContact CG2-CE2 4.02Å; V568-F682 HydrophobicContact CG2-CZ 3.74Å
569	K	95.7	Very high	97.7	Very high	22 Å²	22	19.6 Å²	19.6	10%	0.096	10%	0.099	C	C	.	.	S	Bend	trans	-175.7	166.6	178.6	53.7	-171.1	68.1	163	0	109	H567 I571 K575 G607 G608 Q665	H567-K569 VanDerWaalsContact NE2-CD 3.34Å; H567-K569 WeakPolarHBondContact NE2-CD 3.4Å; H567-K569 WeakPolarHBondContact NE2-CE 3.4Å; H567-K569 PolarHBondContact NE2-NZ 3.19Å; K569-I571 PolarHBondContact O-N 3.43Å; K569-K575 HydrophobicContact CB-CD 4.38Å; K569-K575 HydrophobicContact CD-CB 3.92Å; K569-K575 HydrophobicContact CD-CD 3.73Å; K569-K575 HydrophobicContact CD-CG 3.97Å; K569-K575 HydrophobicContact CG-CD 3.94Å; K569-G607 PolarHBondContact N-O 2.96Å; K569-G608 WeakPolarHBondContact O-CA 3.17Å; K569-Q665 PolarHBondContact NZ-O 3.31Å
570	R	94.3	Very high	97.8	Very high	119 Å²	119	17.9 Å²	17.9	45%	0.449	9%	0.089	S	C	.	.			trans	-47.3	138.8	171.5	-175.1	-177.9	176.4	-164	-1.2	110.5	H572 K575 Q577 K609	R570-H572 PolarHBondContact O-N 3.32Å; R570-K575 WeakPolarHBondContact O-CD 3.16Å; R570-Q577 PolarHBondContact O-NE2 3.13Å; R570-Q577 VanDerWaalsContact O-NE2 3.17Å; R570-K609 WeakPolarHBondContact CG-O 3.37Å
571	I	97.3	Very high	97.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.08	C	C	.	.			trans	-77.6	123	178.1	-51.7	-57.9	0	0	0	108.9	K569 Q577 K609 A610 A617 I620 I621	K569-I571 PolarHBondContact O-N 3.43Å; I571-Q577 HydrophobicContact CD1-CG 4.11Å; I571-K609 PolarHBondContact N-O 2.52Å; I571-A610 HydrophobicContact CB-CB 4.37Å; I571-A617 HydrophobicContact CB-CB 4.29Å; I571-A617 HydrophobicContact CG2-CB 3.94Å; I571-A617 WeakPolarHBondContact CG2-O 3.45Å; I571-I620 HydrophobicContact CG2-CB 3.99Å; I571-I620 HydrophobicContact CG2-CD1 4.46Å; I571-I620 HydrophobicContact CG2-CG2 3.84Å; I571-I621 HydrophobicContact CG1-CD1 3.99Å; I571-I621 HydrophobicContact CG1-CG1 3.84Å; I571-I621 HydrophobicContact CG2-CG1 4.41Å
572	H	95.8	Very high	97.9	Very high	24 Å²	24	12.6 Å²	12.6	11%	0.111	5%	0.053	C	C	.	.			trans	-158.7	143.1	-179.3	-159.7	-48.1	0	0	0	110	R570 Y574 K575 Q577 Y614	R570-H572 PolarHBondContact O-N 3.32Å; H572-Y574 VanDerWaalsContact C-N 3.34Å; H572-Y574 HydrophobicContact CB-CD1 3.98Å; H572-Y574 HydrophobicContact CB-CE1 4.03Å; H572-Y574 AromaticContact CD2-CD1 3.7Å; H572-Y574 AromaticContact CD2-CE1 3.58Å; H572-Y574 AromaticContact CE1-CD1 3.59Å; H572-Y574 AromaticContact CG-CD1 3.38Å; H572-Y574 AromaticContact CG-CE1 3.6Å; H572-Y574 AromaticContact ND1-CD1 3.31Å; H572-Y574 VanDerWaalsContact ND1-CD1 3.31Å; H572-Y574 WeakPolarHBondContact ND1-CD1 2.96Å; H572-Y574 AromaticContact NE2-CD1 3.82Å; H572-Y574 AromaticContact NE2-CE1 3.98Å; H572-Y574 PolarHBondContact O-N 3.03Å; H572-K575 HydrophobicContact CB-CB 4.49Å; H572-K575 HydrophobicContact CB-CD 4.09Å; H572-K575 HydrophobicContact CB-CG 4.3Å; H572-K575 WeakPolarHBondContact O-CB 3.42Å; H572-K575 PolarHBondContact O-N 2.84Å; H572-Q577 PolarHBondContact O-OE1 3.1Å; H572-Y614 AromaticContact CD2-CE2 4Å; H572-Y614 AromaticContact CE1-CE2 3.95Å; H572-Y614 PolarHBondContact CE1-OH 2.92Å; H572-Y614 AromaticContact CG-CE2 3.97Å; H572-Y614 AromaticContact ND1-CE2 3.93Å; H572-Y614 PolarHBondContact ND1-OH 3.32Å; H572-Y614 AromaticContact NE2-CE2 4Å
573	E	97.1	Very high	97.9	Very high	34 Å²	34	12.7 Å²	12.7	16%	0.159	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-52.5	-44.5	178.9	-67.9	170.7	81	0	0	113.6	K575 R576 Y614 M616 I620 M765 F772	E573-K575 PolarHBondContact O-N 2.85Å; E573-R576 WeakPolarHBondContact O-CA 3.4Å; E573-R576 WeakPolarHBondContact O-CG 3.45Å; E573-R576 PolarHBondContact O-N 3.2Å; E573-Y614 VanDerWaalsContact CD-OH 3.28Å; E573-Y614 VanDerWaalsContact CG-OH 3.28Å; E573-Y614 WeakPolarHBondContact CG-OH 3.01Å; E573-Y614 VanDerWaalsContact OE2-CE1 3.31Å; E573-Y614 WeakPolarHBondContact OE2-CE1 3.44Å; E573-Y614 VanDerWaalsContact OE2-CZ 3.3Å; E573-Y614 PolarHBondContact OE2-OH 3.4Å; E573-M616 HydrophobicContact CG-CB 4.46Å; E573-M616 HydrophobicContact CG-CG 3.72Å; E573-I620 HydrophobicContact CG-CD1 4.39Å; E573-M765 HydrophobicContact CG-CE 4.34Å; E573-F772 HydrophobicContact CB-CD2 3.49Å; E573-F772 VanDerWaalsContact CB-CD2 3.49Å; E573-F772 HydrophobicContact CB-CE2 3.47Å; E573-F772 VanDerWaalsContact CB-CE2 3.47Å
574	Y	96.1	Very high	97.9	Very high	31 Å²	31	12.8 Å²	12.8	12%	0.122	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-65.5	-22.1	179.4	86.6	-101.3	0	0	0	114.5	L381 H572 S668 T669 T672 E673 F772	L381-Y574 HydrophobicContact CD1-CD1 3.97Å; L381-Y574 HydrophobicContact CD1-CE1 4.24Å; L381-Y574 HydrophobicContact CD1-CG 4.46Å; H572-Y574 VanDerWaalsContact C-N 3.34Å; H572-Y574 HydrophobicContact CB-CD1 3.98Å; H572-Y574 HydrophobicContact CB-CE1 4.03Å; H572-Y574 AromaticContact CD2-CD1 3.7Å; H572-Y574 AromaticContact CD2-CE1 3.58Å; H572-Y574 AromaticContact CE1-CD1 3.59Å; H572-Y574 AromaticContact CG-CD1 3.38Å; H572-Y574 AromaticContact CG-CE1 3.6Å; H572-Y574 AromaticContact ND1-CD1 3.31Å; H572-Y574 VanDerWaalsContact ND1-CD1 3.31Å; H572-Y574 WeakPolarHBondContact ND1-CD1 2.96Å; H572-Y574 AromaticContact NE2-CD1 3.82Å; H572-Y574 AromaticContact NE2-CE1 3.98Å; H572-Y574 PolarHBondContact O-N 3.03Å; Y574-S668 VanDerWaalsContact O-CA 3.26Å; Y574-S668 WeakPolarHBondContact O-CA 3.5Å; Y574-S668 WeakPolarHBondContact O-CB 3.27Å; Y574-T669 PolarHBondContact O-N 3.04Å; Y574-T672 WeakPolarHBondContact CD2-OG1 3.3Å; Y574-E673 HydrophobicContact CE2-CB 4.36Å; Y574-E673 VanDerWaalsContact CE2-OE2 3.3Å; Y574-E673 WeakPolarHBondContact CE2-OE2 3.31Å; Y574-F772 VanDerWaalsContact CB-CD1 3.45Å
575	K	97.1	Very high	97.9	Very high	16 Å²	16	12.8 Å²	12.8	7%	0.07	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-82	-7.3	176.2	-69.5	174.1	-177.7	-57.9	0	112.2	H567 K569 R570 H572 E573 Q577 E673	H567-K575 PolarHBondContact CE1-O 3.25Å; H567-K575 VanDerWaalsContact CE1-O 3.3Å; K569-K575 HydrophobicContact CB-CD 4.38Å; K569-K575 HydrophobicContact CD-CB 3.92Å; K569-K575 HydrophobicContact CD-CD 3.73Å; K569-K575 HydrophobicContact CD-CG 3.97Å; K569-K575 HydrophobicContact CG-CD 3.94Å; R570-K575 WeakPolarHBondContact O-CD 3.16Å; H572-K575 HydrophobicContact CB-CB 4.49Å; H572-K575 HydrophobicContact CB-CD 4.09Å; H572-K575 HydrophobicContact CB-CG 4.3Å; H572-K575 WeakPolarHBondContact O-CB 3.42Å; H572-K575 PolarHBondContact O-N 2.84Å; E573-K575 PolarHBondContact O-N 2.85Å; K575-Q577 PolarHBondContact O-N 3.14Å; K575-E673 VanDerWaalsContact NZ-CD 3.26Å; K575-E673 IonicContact NZ-OE1 2.73Å; K575-E673 PolarHBondContact NZ-OE1 3.32Å; K575-E673 IonicContact NZ-OE2 3.83Å; K575-E673 PolarHBondContact NZ-OE2 2.97Å
576	R	98.6	Very high	97.9	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	43.7	169.1	-58.1	-165.4	-66.3	179.8	0.8	114.7	E573 L578 L579 N580 I667 S668 T669 V774 D777	E573-R576 WeakPolarHBondContact O-CA 3.4Å; E573-R576 WeakPolarHBondContact O-CG 3.45Å; E573-R576 PolarHBondContact O-N 3.2Å; R576-L578 PolarHBondContact O-N 3.04Å; R576-L579 HydrophobicContact CB-CB 3.84Å; R576-L579 WeakPolarHBondContact O-CB 3.39Å; R576-L579 PolarHBondContact O-N 3.37Å; R576-N580 PolarHBondContact O-N 3.1Å; R576-I667 HydrophobicContact CB-CG1 4.47Å; R576-I667 PolarHBondContact NE-O 2.95Å; R576-I667 PolarHBondContact NH2-O 2.96Å; R576-I667 WeakPolarHBondContact O-CD1 3.48Å; R576-S668 PolarHBondContact NH2-O 2.9Å; R576-T669 WeakPolarHBondContact CD-OG1 3.49Å; R576-V774 HydrophobicContact CG-CG2 4.41Å; R576-D777 IonicContact CZ-OD2 3.12Å; R576-D777 VanDerWaalsContact CZ-OD2 3.3Å; R576-D777 IonicContact NH1-OD2 2.97Å; R576-D777 PolarHBondContact NH1-OD2 3.47Å; R576-D777 IonicContact NH2-OD2 3.03Å; R576-D777 PolarHBondContact NH2-OD2 2.95Å
577	Q	98.8	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-55.2	-30.2	164.6	-68.4	84.2	-2.8	0	0	111.3	R570 I571 H572 K575 L579 N580 C581 I606 I620	R570-Q577 PolarHBondContact O-NE2 3.13Å; R570-Q577 VanDerWaalsContact O-NE2 3.17Å; I571-Q577 HydrophobicContact CD1-CG 4.11Å; H572-Q577 PolarHBondContact O-OE1 3.1Å; K575-Q577 PolarHBondContact O-N 3.14Å; Q577-L579 PolarHBondContact O-N 3.25Å; Q577-N580 WeakPolarHBondContact O-CB 3.49Å; Q577-N580 PolarHBondContact O-N 2.75Å; Q577-C581 PolarHBondContact O-N 3.43Å; Q577-C581 PolarHBondContact O-SG 3.39Å; Q577-I606 HydrophobicContact CG-CG2 4.15Å; Q577-I620 HydrophobicContact CB-CG2 3.87Å
578	L	98.8	Very high	97.9	Very high	6 Å²	6	14 Å²	14	3%	0.031	6%	0.06	C	C	.	.	H	α-helix	trans	-60.2	-39.5	171.8	-73.6	173.1	0	0	0	113.6	R576 N580 C581 L582 I620 L623 V762 M765 L766	R576-L578 PolarHBondContact O-N 3.04Å; L578-N580 VanDerWaalsContact C-N 3.29Å; L578-N580 PolarHBondContact O-N 2.96Å; L578-C581 WeakPolarHBondContact O-CB 3.06Å; L578-C581 PolarHBondContact O-N 2.97Å; L578-L582 WeakPolarHBondContact O-CG 3.31Å; L578-L582 PolarHBondContact O-N 3.36Å; L578-I620 HydrophobicContact CD1-CD1 3.93Å; L578-I620 HydrophobicContact CD1-CG1 4.05Å; L578-I620 HydrophobicContact CD2-CG1 3.89Å; L578-I620 HydrophobicContact CG-CD1 3.91Å; L578-I620 HydrophobicContact CG-CG1 3.79Å; L578-L623 HydrophobicContact CD2-CD2 3.67Å; L578-V762 HydrophobicContact CD1-CG1 4.25Å; L578-V762 HydrophobicContact CD2-CG1 3.74Å; L578-M765 HydrophobicContact CD1-CE 3.49Å; L578-M765 VanDerWaalsContact CD1-CE 3.49Å; L578-L766 HydrophobicContact CD1-CD2 4.25Å
579	L	98.9	Very high	97.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-40	175.2	178.9	58.3	0	0	0	111	R576 Q577 L582 H583 I667 F712 V774 D777 Y781	R576-L579 HydrophobicContact CB-CB 3.84Å; R576-L579 WeakPolarHBondContact O-CB 3.39Å; R576-L579 PolarHBondContact O-N 3.37Å; Q577-L579 PolarHBondContact O-N 3.25Å; L579-L582 PolarHBondContact O-N 2.76Å; L579-H583 PolarHBondContact O-N 3.2Å; L579-I667 HydrophobicContact CB-CD1 4.23Å; L579-I667 HydrophobicContact CD2-CD1 4.37Å; L579-I667 HydrophobicContact CG-CD1 4.4Å; L579-F712 HydrophobicContact CD2-CE2 4.17Å; L579-F712 HydrophobicContact CD2-CZ 4.29Å; L579-V774 HydrophobicContact CB-CG1 4.13Å; L579-V774 HydrophobicContact CD1-CG1 4.38Å; L579-D777 HydrophobicContact CD2-CB 4.32Å; L579-Y781 HydrophobicContact CD1-CD1 3.77Å; L579-Y781 HydrophobicContact CD1-CG 4.3Å; L579-Y781 HydrophobicContact CD2-CD1 4.22Å; L579-Y781 HydrophobicContact CD2-CG 4.2Å; L579-Y781 HydrophobicContact CG-CD1 3.65Å; L579-Y781 HydrophobicContact CG-CE1 4.01Å; L579-Y781 HydrophobicContact CG-CG 4.13Å
580	N	98.9	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.1	-43.9	173.4	-165.7	15.6	0	0	0	111.6	R576 Q577 L578 L582 H583 V584 I606 I667 Y781	R576-N580 PolarHBondContact O-N 3.1Å; Q577-N580 WeakPolarHBondContact O-CB 3.49Å; Q577-N580 PolarHBondContact O-N 2.75Å; L578-N580 VanDerWaalsContact C-N 3.29Å; L578-N580 PolarHBondContact O-N 2.96Å; N580-L582 VanDerWaalsContact C-N 3.33Å; N580-L582 PolarHBondContact O-N 3.1Å; N580-H583 PolarHBondContact O-N 3.28Å; N580-V584 WeakPolarHBondContact O-CG2 3.39Å; N580-V584 PolarHBondContact O-N 3.32Å; N580-I606 HydrophobicContact CB-CD1 4.47Å; N580-I667 HydrophobicContact CB-CD1 4.06Å; N580-Y781 PolarHBondContact OD1-OH 3.4Å
581	C	98.9	Very high	98.3	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.014	5%	0.047	C	C	.	.	H	α-helix	trans	-57	-44.5	175.5	-67.7	0	0	0	0	112.4	Q577 L578 H583 V584 I585 V624 I627	Q577-C581 PolarHBondContact O-N 3.43Å; Q577-C581 PolarHBondContact O-SG 3.39Å; L578-C581 WeakPolarHBondContact O-CB 3.06Å; L578-C581 PolarHBondContact O-N 2.97Å; C581-H583 VanDerWaalsContact C-N 3.34Å; C581-H583 PolarHBondContact O-N 3.47Å; C581-V584 WeakPolarHBondContact O-CB 3.45Å; C581-V584 PolarHBondContact O-N 3.33Å; C581-I585 WeakPolarHBondContact O-CG1 3.37Å; C581-I585 PolarHBondContact O-N 3.38Å; C581-V624 VanDerWaalsContact SG-CG2 3.53Å; C581-I627 HydrophobicContact CB-CD1 3.75Å
582	L	98.9	Very high	98.3	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-61.2	-42.7	177.8	-67.8	172.8	0	0	0	111.4	L578 L579 N580 V584 I585 T586 L739 A742 V743 I746 V774 F775 Y778	L578-L582 WeakPolarHBondContact O-CG 3.31Å; L578-L582 PolarHBondContact O-N 3.36Å; L579-L582 PolarHBondContact O-N 2.76Å; N580-L582 VanDerWaalsContact C-N 3.33Å; N580-L582 PolarHBondContact O-N 3.1Å; L582-V584 PolarHBondContact O-N 3.18Å; L582-I585 PolarHBondContact O-N 3.23Å; L582-T586 PolarHBondContact O-N 3.4Å; L582-T586 PolarHBondContact O-OG1 2.83Å; L582-L739 HydrophobicContact CD1-CD1 3.96Å; L582-L739 HydrophobicContact CD2-CD1 4.47Å; L582-A742 HydrophobicContact CD2-CB 4.07Å; L582-V743 HydrophobicContact CD2-CG2 4.3Å; L582-I746 HydrophobicContact CD2-CD1 4.08Å; L582-V774 HydrophobicContact CD1-CG1 3.72Å; L582-F775 HydrophobicContact CD1-CD1 4.13Å; L582-F775 HydrophobicContact CD1-CE1 3.92Å; L582-Y778 HydrophobicContact CB-CD2 3.99Å; L582-Y778 HydrophobicContact CB-CE2 3.97Å; L582-Y778 HydrophobicContact CD1-CD2 4.39Å
583	H	98.9	Very high	98.4	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-62.2	-42	174.7	168.8	-113.3	0	0	0	112.7	L579 N580 C581 I585 T586 L587 Y781 Q785	L579-H583 PolarHBondContact O-N 3.2Å; N580-H583 PolarHBondContact O-N 3.28Å; C581-H583 VanDerWaalsContact C-N 3.34Å; C581-H583 PolarHBondContact O-N 3.47Å; H583-I585 VanDerWaalsContact C-N 3.35Å; H583-I585 PolarHBondContact O-N 2.72Å; H583-T586 WeakPolarHBondContact O-CB 3.24Å; H583-T586 PolarHBondContact O-N 3.36Å; H583-L587 VanDerWaalsContact CE1-CD1 3.45Å; H583-L587 WeakPolarHBondContact CE1-CD1 3.21Å; H583-L587 PolarHBondContact O-N 2.92Å; H583-Y781 HydrophobicContact CB-CD1 3.91Å; H583-Y781 HydrophobicContact CB-CE1 3.4Å; H583-Y781 VanDerWaalsContact CB-CE1 3.4Å; H583-Y781 AromaticContact CG-CE1 3.9Å; H583-Q785 VanDerWaalsContact CE1-CD 3.45Å; H583-Q785 PolarHBondContact CE1-NE2 3.48Å; H583-Q785 PolarHBondContact ND1-NE2 3.14Å; H583-Q785 WeakPolarHBondContact NE2-CB 3.41Å; H583-Q785 WeakPolarHBondContact NE2-CG 3.34Å
584	V	98.8	Very high	98.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-46	175.5	169.6	0	0	0	0	111.2	N580 C581 L582 T586 L587 Y588 V604 I627 V643	N580-V584 WeakPolarHBondContact O-CG2 3.39Å; N580-V584 PolarHBondContact O-N 3.32Å; C581-V584 WeakPolarHBondContact O-CB 3.45Å; C581-V584 PolarHBondContact O-N 3.33Å; L582-V584 PolarHBondContact O-N 3.18Å; V584-T586 VanDerWaalsContact C-N 3.29Å; V584-T586 PolarHBondContact O-N 3.4Å; V584-L587 PolarHBondContact O-N 2.99Å; V584-Y588 PolarHBondContact O-N 2.81Å; V584-V604 HydrophobicContact CG2-CB 4.23Å; V584-V604 HydrophobicContact CG2-CG1 3.83Å; V584-V604 HydrophobicContact CG2-CG2 4.1Å; V584-I627 HydrophobicContact CG1-CG2 3.68Å; V584-V643 HydrophobicContact CG1-CG1 4.42Å; V584-V643 HydrophobicContact CG1-CG2 3.35Å
585	I	98.9	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-40.2	176.8	-65.4	166.2	0	0	0	110.4	C581 L582 H583 L587 Y588 N589 I627 A742 Q745 I746 F751	C581-I585 WeakPolarHBondContact O-CG1 3.37Å; C581-I585 PolarHBondContact O-N 3.38Å; L582-I585 PolarHBondContact O-N 3.23Å; H583-I585 VanDerWaalsContact C-N 3.35Å; H583-I585 PolarHBondContact O-N 2.72Å; I585-L587 PolarHBondContact O-N 3.43Å; I585-Y588 WeakPolarHBondContact O-CB 3.36Å; I585-Y588 PolarHBondContact O-N 3.26Å; I585-N589 WeakPolarHBondContact O-CB 3.2Å; I585-N589 VanDerWaalsContact O-CG 3.28Å; I585-N589 PolarHBondContact O-N 3.09Å; I585-N589 PolarHBondContact O-ND2 3.07Å; I585-I627 HydrophobicContact CD1-CD1 3.83Å; I585-I627 HydrophobicContact CD1-CG1 4.23Å; I585-I627 HydrophobicContact CG1-CD1 4.02Å; I585-I627 HydrophobicContact CG1-CG1 4.22Å; I585-A742 HydrophobicContact CB-CB 4.14Å; I585-A742 HydrophobicContact CG2-CB 3.6Å; I585-Q745 VanDerWaalsContact CG2-OE1 3.3Å; I585-I746 HydrophobicContact CD1-CD1 3.81Å; I585-I746 HydrophobicContact CD1-CG1 3.93Å; I585-F751 HydrophobicContact CB-CZ 4.44Å; I585-F751 HydrophobicContact CD1-CD2 4.44Å; I585-F751 HydrophobicContact CD1-CE2 3.68Å; I585-F751 HydrophobicContact CD1-CZ 4.02Å; I585-F751 HydrophobicContact CG1-CE2 3.9Å; I585-F751 HydrophobicContact CG1-CZ 3.69Å; I585-F751 HydrophobicContact CG2-CE2 4.19Å; I585-F751 HydrophobicContact CG2-CZ 4.01Å
586	T	98.9	Very high	98.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-42.9	175.5	-61.3	0	0	0	0	112.4	L582 H583 V584 N589 R590 E738 Y778 V782	L582-T586 PolarHBondContact O-N 3.4Å; L582-T586 PolarHBondContact O-OG1 2.83Å; H583-T586 WeakPolarHBondContact O-CB 3.24Å; H583-T586 PolarHBondContact O-N 3.36Å; V584-T586 VanDerWaalsContact C-N 3.29Å; V584-T586 PolarHBondContact O-N 3.4Å; T586-N589 PolarHBondContact O-N 3.15Å; T586-R590 WeakPolarHBondContact O-CB 3.45Å; T586-R590 VanDerWaalsContact O-CG 3.23Å; T586-R590 WeakPolarHBondContact O-CG 3.31Å; T586-R590 PolarHBondContact O-N 3.43Å; T586-E738 HydrophobicContact CG2-CB 4.4Å; T586-Y778 WeakPolarHBondContact CG2-OH 3.47Å; T586-Y778 PolarHBondContact OG1-OH 2.5Å; T586-V782 HydrophobicContact CG2-CG1 4.45Å
587	L	98.6	Very high	98.1	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.063	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-46.6	174	-71.8	180	0	0	0	111.5	H583 V584 I585 N589 R590 I591 L641	H583-L587 VanDerWaalsContact CE1-CD1 3.45Å; H583-L587 WeakPolarHBondContact CE1-CD1 3.21Å; H583-L587 PolarHBondContact O-N 2.92Å; V584-L587 PolarHBondContact O-N 2.99Å; I585-L587 PolarHBondContact O-N 3.43Å; L587-N589 PolarHBondContact O-N 2.9Å; L587-R590 PolarHBondContact O-N 3.28Å; L587-I591 VanDerWaalsContact O-CG1 3.3Å; L587-I591 WeakPolarHBondContact O-CG1 3.44Å; L587-I591 PolarHBondContact O-N 3.08Å; L587-L641 HydrophobicContact CB-CD2 4.03Å; L587-L641 HydrophobicContact CD1-CD1 4.33Å
588	Y	98.8	Very high	97.8	Very high	11 Å²	11	37.6 Å²	37.6	4%	0.043	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-51	176.4	172.3	-105	0	0	0	111.5	V584 I585 R590 I591 K592 V630 V631 D634 V637 F750	V584-Y588 PolarHBondContact O-N 2.81Å; I585-Y588 WeakPolarHBondContact O-CB 3.36Å; I585-Y588 PolarHBondContact O-N 3.26Å; Y588-R590 VanDerWaalsContact C-N 3.34Å; Y588-R590 PolarHBondContact O-N 2.65Å; Y588-I591 PolarHBondContact O-N 2.92Å; Y588-K592 HydrophobicContact CD2-CG 4.3Å; Y588-K592 HydrophobicContact CE1-CG 4.15Å; Y588-K592 HydrophobicContact CE2-CD 4.06Å; Y588-K592 HydrophobicContact CE2-CG 3.91Å; Y588-K592 WeakPolarHBondContact O-CG 3.24Å; Y588-K592 PolarHBondContact O-N 3Å; Y588-V630 HydrophobicContact CE1-CG1 4.45Å; Y588-V631 HydrophobicContact CD2-CB 4.45Å; Y588-V631 HydrophobicContact CD2-CG1 4.49Å; Y588-V631 HydrophobicContact CD2-CG2 3.78Å; Y588-V631 HydrophobicContact CE2-CG2 4.39Å; Y588-V631 HydrophobicContact CG-CG2 4Å; Y588-D634 HydrophobicContact CE2-CB 4.15Å; Y588-D634 PolarHBondContact OH-OD2 3.07Å; Y588-V637 HydrophobicContact CD2-CG2 3.63Å; Y588-V637 HydrophobicContact CE2-CG2 3.61Å; Y588-F750 AromaticContact CE1-CE1 3.79Å; Y588-F750 HydrophobicContact CE1-CE1 3.79Å; Y588-F750 AromaticContact CE1-CZ 3.88Å; Y588-F750 HydrophobicContact CE1-CZ 3.88Å
589	N	98.8	Very high	97.7	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-40.6	178.8	-72.3	-24.7	0	0	0	112.5	I585 T586 L587 K592 R593 Q745	I585-N589 WeakPolarHBondContact O-CB 3.2Å; I585-N589 VanDerWaalsContact O-CG 3.28Å; I585-N589 PolarHBondContact O-N 3.09Å; I585-N589 PolarHBondContact O-ND2 3.07Å; T586-N589 PolarHBondContact O-N 3.15Å; L587-N589 PolarHBondContact O-N 2.9Å; N589-K592 PolarHBondContact O-N 3.29Å; N589-R593 WeakPolarHBondContact O-CB 3.08Å; N589-R593 PolarHBondContact O-N 2.72Å; N589-Q745 PolarHBondContact ND2-OE1 2.89Å; N589-Q745 PolarHBondContact OD1-NE2 2.9Å; N589-Q745 PolarHBondContact OD1-OE1 3.33Å
590	R	98.5	Very high	97.7	Very high	64 Å²	64	39.8 Å²	39.8	24%	0.242	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-40.8	176.3	-75.5	172	174.8	-175.6	1.8	112	T586 L587 Y588 R593 D594 F599 E738	T586-R590 WeakPolarHBondContact O-CB 3.45Å; T586-R590 VanDerWaalsContact O-CG 3.23Å; T586-R590 WeakPolarHBondContact O-CG 3.31Å; T586-R590 PolarHBondContact O-N 3.43Å; L587-R590 PolarHBondContact O-N 3.28Å; Y588-R590 VanDerWaalsContact C-N 3.34Å; Y588-R590 PolarHBondContact O-N 2.65Å; R590-R593 PolarHBondContact O-N 2.92Å; R590-D594 PolarHBondContact O-N 2.75Å; R590-D594 VanDerWaalsContact O-N 3.14Å; R590-F599 HydrophobicContact CB-CE1 4.11Å; R590-F599 HydrophobicContact CB-CZ 4.31Å; R590-E738 IonicContact CZ-OE1 2.68Å; R590-E738 IonicContact CZ-OE2 3.17Å; R590-E738 VanDerWaalsContact CZ-OE2 3.27Å; R590-E738 IonicContact NE-OE1 3.01Å; R590-E738 PolarHBondContact NE-OE1 3.12Å; R590-E738 IonicContact NE-OE2 2.78Å; R590-E738 PolarHBondContact NE-OE2 2.6Å; R590-E738 VanDerWaalsContact NE-OE2 3.12Å; R590-E738 IonicContact NH2-OE1 3.06Å; R590-E738 IonicContact NH2-OE2 3.38Å; R590-E738 PolarHBondContact NH2-OE2 2.96Å
591	I	98.4	Very high	97.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-43.3	175.4	-68.9	164.6	0	0	0	110.6	L587 Y588 R593 D594 P595 F599 V637 R640 L641	L587-I591 VanDerWaalsContact O-CG1 3.3Å; L587-I591 WeakPolarHBondContact O-CG1 3.44Å; L587-I591 PolarHBondContact O-N 3.08Å; Y588-I591 PolarHBondContact O-N 2.92Å; I591-R593 VanDerWaalsContact C-N 3.34Å; I591-R593 PolarHBondContact O-N 3.22Å; I591-D594 CarbonylContact O-C 3.6Å; I591-D594 VanDerWaalsContact O-C 3.27Å; I591-D594 PolarHBondContact O-N 3.27Å; I591-P595 VanDerWaalsContact O-CA 3.27Å; I591-P595 WeakPolarHBondContact O-CA 3.4Å; I591-P595 VanDerWaalsContact O-N 3.15Å; I591-F599 HydrophobicContact CB-CE2 4.38Å; I591-F599 HydrophobicContact CG1-CD1 4.12Å; I591-F599 HydrophobicContact CG1-CD2 3.79Å; I591-F599 HydrophobicContact CG1-CE1 4.19Å; I591-F599 HydrophobicContact CG1-CE2 3.86Å; I591-F599 HydrophobicContact CG1-CG 3.92Å; I591-F599 HydrophobicContact CG1-CZ 4.06Å; I591-V637 HydrophobicContact CG2-CG2 4.25Å; I591-R640 HydrophobicContact CD1-CB 4.47Å; I591-L641 HydrophobicContact CD1-CB 4Å; I591-L641 HydrophobicContact CD1-CD2 4.42Å
592	K	98.2	Very high	97.7	Very high	76 Å²	76	41.8 Å²	41.8	33%	0.33	23%	0.226	S	C	.	.	H	α-helix	trans	-66.9	-35.1	178.4	-66.3	-63.7	-64.3	-164.2	0	112.8	Y588 N589 D634 V636 V637	Y588-K592 HydrophobicContact CD2-CG 4.3Å; Y588-K592 HydrophobicContact CE1-CG 4.15Å; Y588-K592 HydrophobicContact CE2-CD 4.06Å; Y588-K592 HydrophobicContact CE2-CG 3.91Å; Y588-K592 WeakPolarHBondContact O-CG 3.24Å; Y588-K592 PolarHBondContact O-N 3Å; N589-K592 PolarHBondContact O-N 3.29Å; K592-D634 WeakPolarHBondContact CD-OD2 3.46Å; K592-D634 WeakPolarHBondContact CE-OD2 3.16Å; K592-D634 VanDerWaalsContact NZ-CG 3.31Å; K592-D634 IonicContact NZ-OD1 3.07Å; K592-D634 PolarHBondContact NZ-OD1 2.96Å; K592-D634 VanDerWaalsContact NZ-OD1 3.12Å; K592-D634 IonicContact NZ-OD2 3.05Å; K592-D634 PolarHBondContact NZ-OD2 2.87Å; K592-V636 HydrophobicContact CD-CB 4.25Å; K592-V636 HydrophobicContact CD-CG1 4.33Å; K592-V637 HydrophobicContact CD-CG2 4.37Å
593	R	98	Very high	97.6	Very high	162 Å²	162	41.7 Å²	41.7	61%	0.611	23%	0.225	S	C	*	.	H	α-helix	trans	-68.9	-38.5	178	-177.3	172.1	65.2	-152.7	-1.6	112.5	N589 R590 I591 E738	N589-R593 WeakPolarHBondContact O-CB 3.08Å; N589-R593 PolarHBondContact O-N 2.72Å; R590-R593 PolarHBondContact O-N 2.92Å; I591-R593 VanDerWaalsContact C-N 3.34Å; I591-R593 PolarHBondContact O-N 3.22Å; R593-E738 IonicContact CZ-OE1 2.78Å; R593-E738 IonicContact NH1-OE1 3.95Å; R593-E738 PolarHBondContact NH1-OE1 3.35Å; R593-E738 IonicContact NH2-OE1 2.9Å; R593-E738 PolarHBondContact NH2-OE1 3.3Å
594	D	96.9	Very high	97.6	Very high	73 Å²	73	41.6 Å²	41.6	39%	0.39	23%	0.225	S	C	.	.			trans	-135.4	78.9	178.7	-172.8	-5.7	0	0	0	111.1	R590 I591 A596 K597	R590-D594 PolarHBondContact O-N 2.75Å; R590-D594 VanDerWaalsContact O-N 3.14Å; I591-D594 CarbonylContact O-C 3.6Å; I591-D594 VanDerWaalsContact O-C 3.27Å; I591-D594 PolarHBondContact O-N 3.27Å; D594-A596 PolarHBondContact O-N 2.96Å; D594-K597 HydrophobicContact CB-CB 4.19Å; D594-K597 PolarHBondContact O-N 3.24Å; D594-K597 PolarHBondContact OD1-N 2.91Å; D594-K597 WeakPolarHBondContact OD2-CB 3.41Å
595	P	95.5	Very high	97.6	Very high	61 Å²	61	41.5 Å²	41.5	40%	0.396	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.9	-175.3	-25.1	36.1	0	0	0	114.4	I591 V636 R640	I591-P595 VanDerWaalsContact O-CA 3.27Å; I591-P595 WeakPolarHBondContact O-CA 3.4Å; I591-P595 VanDerWaalsContact O-N 3.15Å; P595-V636 HydrophobicContact CB-CG1 3.7Å; P595-V636 HydrophobicContact CG-CG1 3.8Å; P595-R640 PolarHBondContact O-NH1 3.49Å; P595-R640 PolarHBondContact O-NH2 3.4Å
596	A	94.7	Very high	97.6	Very high	98 Å²	98	41.6 Å²	41.6	81%	0.81	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-19	-178.2	0	0	0	0	0	112.8	D594	D594-A596 PolarHBondContact O-N 2.96Å
597	K	95.1	Very high	97.6	Very high	120 Å²	120	41.5 Å²	41.5	52%	0.522	22%	0.224	S	C	.	.	S	Bend	trans	-66.2	143.3	178.9	-178	173.9	-177.1	176.4	0	112.4	D594 F599	D594-K597 HydrophobicContact CB-CB 4.19Å; D594-K597 PolarHBondContact O-N 3.24Å; D594-K597 PolarHBondContact OD1-N 2.91Å; D594-K597 WeakPolarHBondContact OD2-CB 3.41Å; K597-F599 HydrophobicContact CB-CD2 4.43Å; K597-F599 HydrophobicContact CB-CE2 3.75Å; K597-F599 HydrophobicContact CB-CZ 4.21Å; K597-F599 HydrophobicContact CD-CE1 4.48Å; K597-F599 HydrophobicContact CD-CE2 4.33Å; K597-F599 HydrophobicContact CD-CZ 3.97Å; K597-F599 HydrophobicContact CG-CE2 4.05Å; K597-F599 HydrophobicContact CG-CZ 4.2Å; K597-F599 WeakPolarHBondContact O-CD2 3.44Å; K597-F599 WeakPolarHBondContact O-CE2 3.25Å; K597-F599 PolarHBondContact O-N 3.1Å
598	A	93.2	Very high	97.5	Very high	81 Å²	81	40.9 Å²	40.9	67%	0.669	22%	0.221	S	C	*	.			trans	-77.6	114.7	174.4	0	0	0	0	0	111.4	R793	A598-R793 PolarHBondContact O-NH2 3.26Å
599	F	96.4	Very high	97.4	Very high	37 Å²	37	41.3 Å²	41.3	16%	0.162	22%	0.223	C	C	.	.			trans	-106.5	150.2	172.3	-65	-90.7	0	0	0	110	R590 I591 K597 P601	R590-F599 HydrophobicContact CB-CE1 4.11Å; R590-F599 HydrophobicContact CB-CZ 4.31Å; I591-F599 HydrophobicContact CB-CE2 4.38Å; I591-F599 HydrophobicContact CG1-CD1 4.12Å; I591-F599 HydrophobicContact CG1-CD2 3.79Å; I591-F599 HydrophobicContact CG1-CE1 4.19Å; I591-F599 HydrophobicContact CG1-CE2 3.86Å; I591-F599 HydrophobicContact CG1-CG 3.92Å; I591-F599 HydrophobicContact CG1-CZ 4.06Å; K597-F599 HydrophobicContact CB-CD2 4.43Å; K597-F599 HydrophobicContact CB-CE2 3.75Å; K597-F599 HydrophobicContact CB-CZ 4.21Å; K597-F599 HydrophobicContact CD-CE1 4.48Å; K597-F599 HydrophobicContact CD-CE2 4.33Å; K597-F599 HydrophobicContact CD-CZ 3.97Å; K597-F599 HydrophobicContact CG-CE2 4.05Å; K597-F599 HydrophobicContact CG-CZ 4.2Å; K597-F599 WeakPolarHBondContact O-CD2 3.44Å; K597-F599 WeakPolarHBondContact O-CE2 3.25Å; K597-F599 PolarHBondContact O-N 3.1Å; F599-P601 WeakPolarHBondContact O-CD 3.46Å
600	V	98.2	Very high	97.2	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.085	22%	0.22	C	C	.	.			trans	-69.7	122.9	168.6	175.2	0	0	0	0	107.5	R602 D789 Y792 R793	V600-R602 PolarHBondContact O-N 3.13Å; V600-D789 HydrophobicContact CB-CB 4.42Å; V600-D789 HydrophobicContact CG2-CB 3.92Å; V600-Y792 HydrophobicContact CG1-CD1 3.57Å; V600-Y792 HydrophobicContact CG1-CE1 4.21Å; V600-Y792 HydrophobicContact CG1-CG 4.35Å; V600-R793 HydrophobicContact CG2-CG 3.75Å
601	P	98.5	Very high	96.8	Very high	42 Å²	42	39 Å²	39	27%	0.273	22%	0.219	S	C	.	.			trans	-63.4	134.2	178.1	-23.1	34.9	0	0	0	111.1	S562 M563 F599 R640	S562-P601 CarbonylContact C-O 3.54Å; S562-P601 WeakPolarHBondContact CA-O 3.49Å; S562-P601 WeakPolarHBondContact CB-O 2.98Å; M563-P601 PolarHBondContact N-O 3.33Å; F599-P601 WeakPolarHBondContact O-CD 3.46Å; P601-R640 CarbonylContact C-O 3.45Å; P601-R640 VanDerWaalsContact CA-O 3.26Å; P601-R640 WeakPolarHBondContact CA-O 3.29Å
602	R	98.6	Very high	96.2	Very high	3 Å²	3	42 Å²	42	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.3	-179.6	-69.4	-173.8	177	-140.9	8.7	112.1	M563 D565 V600 V604 R640 L641 K642 Q785 D789	M563-R602 HydrophobicContact CB-CG 4.4Å; M563-R602 HydrophobicContact CE-CG 3.83Å; D565-R602 IonicContact OD2-NH1 3.52Å; D565-R602 PolarHBondContact OD2-NH1 2.98Å; V600-R602 PolarHBondContact O-N 3.13Å; R602-V604 HydrophobicContact CB-CG2 4.44Å; R602-R640 PolarHBondContact N-O 3.2Å; R602-L641 HydrophobicContact CB-CD1 4.12Å; R602-L641 CarbonylContact O-C 3.41Å; R602-L641 WeakPolarHBondContact O-CA 3.21Å; R602-K642 PolarHBondContact O-N 3.24Å; R602-Q785 PolarHBondContact NH2-O 3.44Å; R602-Q785 VanDerWaalsContact NH2-O 3.07Å; R602-Q785 VanDerWaalsContact NH2-OE1 3.15Å; R602-D789 IonicContact CZ-OD1 2.58Å; R602-D789 IonicContact NE-OD1 3Å; R602-D789 PolarHBondContact NE-OD1 2.72Å; R602-D789 VanDerWaalsContact NH2-CG 3.25Å; R602-D789 IonicContact NH2-OD1 3.37Å; R602-D789 PolarHBondContact NH2-OD1 2.92Å; R602-D789 IonicContact NH2-OD2 3Å
603	T	98.8	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	103.9	163.2	-60	0	0	0	0	107.7	I558 S562 M563 D565 M605 K642 I644	I558-T603 HydrophobicContact CB-CG2 4.19Å; I558-T603 HydrophobicContact CD1-CG2 4.04Å; I558-T603 HydrophobicContact CG2-CG2 3.95Å; S562-T603 PolarHBondContact OG-OG1 3.31Å; M563-T603 PolarHBondContact O-N 3Å; D565-T603 PolarHBondContact N-O 3.38Å; T603-M605 HydrophobicContact CG2-CE 4.02Å; T603-M605 HydrophobicContact CG2-CG 4Å; T603-M605 HydrophobicContact CG2-SD 4.32Å; T603-K642 HydrophobicContact CG2-CB 4.33Å; T603-I644 HydrophobicContact CG2-CG1 4.32Å
604	V	98.9	Very high	95.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.6	178.7	-175.9	0	0	0	0	108.9	D565 V584 R602 I606 L641 K642 V643 I644	D565-V604 HydrophobicContact CB-CG2 4.2Å; D565-V604 CarbonylContact O-C 3.49Å; D565-V604 WeakPolarHBondContact O-CA 3.43Å; V584-V604 HydrophobicContact CG2-CB 4.23Å; V584-V604 HydrophobicContact CG2-CG1 3.83Å; V584-V604 HydrophobicContact CG2-CG2 4.1Å; R602-V604 HydrophobicContact CB-CG2 4.44Å; V604-I606 HydrophobicContact CG1-CG1 4.35Å; V604-L641 HydrophobicContact CG2-CD1 4.08Å; V604-K642 PolarHBondContact N-O 2.63Å; V604-V643 CarbonylContact O-C 3.58Å; V604-V643 WeakPolarHBondContact O-CA 3.28Å; V604-I644 PolarHBondContact O-N 3.26Å
605	M	98.8	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.9	-175.3	-66.6	176.1	-96.7	0	0	109.7	F546 L550 F564 D565 V566 H567 T603 I644 L646	F546-M605 HydrophobicContact CD1-SD 4.31Å; F546-M605 HydrophobicContact CE1-SD 3.59Å; F546-M605 VanDerWaalsContact CE1-SD 3.59Å; L550-M605 HydrophobicContact CD1-SD 4.44Å; F564-M605 HydrophobicContact CB-CE 3.52Å; F564-M605 HydrophobicContact CD1-CE 3.91Å; F564-M605 HydrophobicContact CD2-CE 3.53Å; F564-M605 HydrophobicContact CE2-CE 4.18Å; F564-M605 HydrophobicContact CG-CE 3.37Å; D565-M605 PolarHBondContact O-N 3.4Å; V566-M605 CarbonylContact C-O 3.27Å; V566-M605 WeakPolarHBondContact CA-O 3.29Å; V566-M605 HydrophobicContact CG2-CB 4.33Å; V566-M605 HydrophobicContact CG2-CE 3.88Å; H567-M605 PolarHBondContact N-O 3.16Å; T603-M605 HydrophobicContact CG2-CE 4.02Å; T603-M605 HydrophobicContact CG2-CG 4Å; T603-M605 HydrophobicContact CG2-SD 4.32Å; M605-I644 WeakPolarHBondContact CA-O 3.41Å; M605-I644 HydrophobicContact CG-CB 4.3Å; M605-L646 HydrophobicContact CB-CD1 3.96Å; M605-L646 HydrophobicContact CB-CG 4.16Å
606	I	98.9	Very high	95.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.7	177.8	-57	177	0	0	0	107.7	H567 Q577 N580 V604 V624 I644 F645 L646	H567-I606 HydrophobicContact CB-CG1 4.27Å; H567-I606 WeakPolarHBondContact O-CA 3.31Å; Q577-I606 HydrophobicContact CG-CG2 4.15Å; N580-I606 HydrophobicContact CB-CD1 4.47Å; V604-I606 HydrophobicContact CG1-CG1 4.35Å; I606-V624 HydrophobicContact CB-CG1 4.08Å; I606-V624 HydrophobicContact CD1-CG1 4.05Å; I606-V624 HydrophobicContact CD1-CG2 3.9Å; I606-V624 HydrophobicContact CG1-CG1 4.49Å; I606-V624 HydrophobicContact CG2-CG2 4.26Å; I606-I644 PolarHBondContact N-O 2.99Å; I606-F645 CarbonylContact O-C 3.49Å; I606-F645 VanDerWaalsContact O-CA 3.24Å; I606-F645 WeakPolarHBondContact O-CA 3.44Å; I606-L646 PolarHBondContact O-N 3.2Å
607	G	98.2	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	147.1	-179.3	0	0	0	0	0	112.6	H567 V568 K569	H567-G607 PolarHBondContact O-N 3Å; V568-G607 VanDerWaalsContact CA-O 3.26Å; V568-G607 WeakPolarHBondContact CA-O 3.23Å; K569-G607 PolarHBondContact N-O 2.96Å
608	G	96.9	Very high	95.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.159	C	C	.	.			trans	159.3	155.4	-176.4	0	0	0	0	0	112.6	Q169 K569 F645	Q169-G608 PolarHBondContact NE2-O 3.21Å; K569-G608 WeakPolarHBondContact O-CA 3.17Å; G608-F645 WeakPolarHBondContact O-CZ 3.42Å
609	K	95.8	Very high	95.8	Very high	20 Å²	20	22.4 Å²	22.4	9%	0.087	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-92.4	139.2	173.6	-60.8	-177.2	-176.5	-175.5	0	110	I166 F167 Q169 R570 I571 N648	I166-K609 HydrophobicContact CD1-CD 4.26Å; I166-K609 HydrophobicContact CG1-CD 3.61Å; F167-K609 HydrophobicContact CE2-CB 4.26Å; F167-K609 HydrophobicContact CE2-CD 4.05Å; F167-K609 HydrophobicContact CE2-CG 4.26Å; F167-K609 HydrophobicContact CZ-CB 3.88Å; F167-K609 HydrophobicContact CZ-CD 4.19Å; F167-K609 HydrophobicContact CZ-CG 4.33Å; F167-K609 WeakPolarHBondContact O-CE 3.5Å; F167-K609 PolarHBondContact O-NZ 3.4Å; Q169-K609 HydrophobicContact CB-CG 4.24Å; R570-K609 WeakPolarHBondContact CG-O 3.37Å; I571-K609 PolarHBondContact N-O 2.52Å; K609-N648 WeakPolarHBondContact CE-OD1 3.47Å; K609-N648 PolarHBondContact NZ-OD1 2.93Å
610	A	94.3	Very high	95.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-91.1	145.2	165.3	0	0	0	0	0	109.3	F167 Q176 I571 A617 K618 I621	F167-A610 VanDerWaalsContact CZ-O 3.24Å; F167-A610 WeakPolarHBondContact CZ-O 3.46Å; Q176-A610 PolarHBondContact NE2-O 3.01Å; I571-A610 HydrophobicContact CB-CB 4.37Å; A610-A617 HydrophobicContact CB-CB 3.62Å; A610-K618 HydrophobicContact CB-CG 3.99Å; A610-I621 HydrophobicContact CB-CD1 3.64Å
611	A	89.8	Confident	95.9	Very high	27 Å²	27	20 Å²	20	22%	0.223	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-63.6	143.3	171.3	0	0	0	0	0	109.8	G613 Y614	A611-G613 PolarHBondContact O-N 3.21Å; A611-G613 VanDerWaalsContact O-N 3.16Å; A611-Y614 PolarHBondContact O-N 2.95Å
612	P	87.3	Confident	95.9	Very high	65 Å²	65	19.3 Å²	19.3	42%	0.422	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-36.5	-171.7	-26.2	35.1	0	0	0	113.5	F167 E178 K618	F167-P612 HydrophobicContact CD1-CG 4.12Å; F167-P612 HydrophobicContact CE1-CG 3.86Å; E178-P612 HydrophobicContact CG-CB 4.39Å; E178-P612 HydrophobicContact CG-CG 4.13Å; P612-K618 VanDerWaalsContact O-CE 3.24Å; P612-K618 WeakPolarHBondContact O-CE 3.45Å; P612-K618 PolarHBondContact O-NZ 3.28Å; P612-K618 VanDerWaalsContact O-NZ 3.12Å
613	G	86.3	Confident	95.9	Very high	42 Å²	42	19.2 Å²	19.2	43%	0.433	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.7	177.7	0	0	0	0	0	115.6	A611 H615	A611-G613 PolarHBondContact O-N 3.21Å; A611-G613 VanDerWaalsContact O-N 3.16Å; G613-H615 PolarHBondContact O-N 3.1Å
614	Y	90.3	Very high	95.9	Very high	47 Å²	47	19.3 Å²	19.3	18%	0.184	11%	0.109	C	C	.	.			trans	-95	89	-175.8	-167.1	-1.1	0	0	0	111.3	H572 E573 A611 M616 A617 K618	H572-Y614 AromaticContact CD2-CE2 4Å; H572-Y614 AromaticContact CE1-CE2 3.95Å; H572-Y614 PolarHBondContact CE1-OH 2.92Å; H572-Y614 AromaticContact CG-CE2 3.97Å; H572-Y614 AromaticContact ND1-CE2 3.93Å; H572-Y614 PolarHBondContact ND1-OH 3.32Å; H572-Y614 AromaticContact NE2-CE2 4Å; E573-Y614 VanDerWaalsContact CD-OH 3.28Å; E573-Y614 VanDerWaalsContact CG-OH 3.28Å; E573-Y614 WeakPolarHBondContact CG-OH 3.01Å; E573-Y614 VanDerWaalsContact OE2-CE1 3.31Å; E573-Y614 WeakPolarHBondContact OE2-CE1 3.44Å; E573-Y614 VanDerWaalsContact OE2-CZ 3.3Å; E573-Y614 PolarHBondContact OE2-OH 3.4Å; A611-Y614 PolarHBondContact O-N 2.95Å; Y614-M616 HydrophobicContact CD1-CB 4.22Å; Y614-M616 HydrophobicContact CE1-CB 3.78Å; Y614-M616 PolarHBondContact O-N 3.05Å; Y614-A617 HydrophobicContact CD1-CB 4.07Å; Y614-A617 HydrophobicContact CD2-CB 3.56Å; Y614-A617 HydrophobicContact CE1-CB 4.46Å; Y614-A617 HydrophobicContact CE2-CB 3.99Å; Y614-A617 HydrophobicContact CG-CB 3.6Å; Y614-A617 PolarHBondContact O-N 3.31Å; Y614-K618 PolarHBondContact O-N 3.14Å; Y614-K618 VanDerWaalsContact O-N 3.13Å
615	H	94.8	Very high	95.9	Very high	104 Å²	104	20 Å²	20	48%	0.481	11%	0.114	S	C	.	.	H	α-helix	trans	-52.3	-53	-177.5	-179.2	59.7	0	0	0	113.7	G613 A617 K618 L619 D761	G613-H615 PolarHBondContact O-N 3.1Å; H615-A617 VanDerWaalsContact C-N 3.31Å; H615-A617 PolarHBondContact O-N 3.08Å; H615-K618 PolarHBondContact O-N 3.49Å; H615-K618 VanDerWaalsContact O-N 3.09Å; H615-L619 VanDerWaalsContact NE2-CD1 3.31Å; H615-L619 WeakPolarHBondContact NE2-CD1 3.14Å; H615-L619 PolarHBondContact O-N 2.79Å; H615-D761 IonicContact CD2-OD2 3.49Å; H615-D761 IonicContact NE2-OD2 3.56Å; H615-D761 PolarHBondContact NE2-OD2 2.63Å
616	M	97.4	Very high	95.9	Very high	24 Å²	24	20.3 Å²	20.3	12%	0.118	12%	0.115	C	C	.	.	H	α-helix	trans	-59.9	-40.1	-178.8	-172.6	57.6	66.2	0	0	112.1	E573 Y614 K618 L619 I620 D761 V762 M765	E573-M616 HydrophobicContact CG-CB 4.46Å; E573-M616 HydrophobicContact CG-CG 3.72Å; Y614-M616 HydrophobicContact CD1-CB 4.22Å; Y614-M616 HydrophobicContact CE1-CB 3.78Å; Y614-M616 PolarHBondContact O-N 3.05Å; M616-K618 PolarHBondContact O-N 2.86Å; M616-L619 WeakPolarHBondContact O-CB 3.36Å; M616-L619 PolarHBondContact O-N 2.89Å; M616-I620 HydrophobicContact CG-CD1 4.36Å; M616-I620 VanDerWaalsContact O-CG1 3.28Å; M616-I620 WeakPolarHBondContact O-CG1 3.38Å; M616-I620 PolarHBondContact O-N 2.79Å; M616-D761 HydrophobicContact CE-CB 4.47Å; M616-V762 HydrophobicContact SD-CG2 3.94Å; M616-M765 HydrophobicContact CE-CB 3.63Å; M616-M765 HydrophobicContact CE-CG 4.01Å; M616-M765 HydrophobicContact CG-CE 4.33Å; M616-M765 HydrophobicContact SD-CE 4.12Å
617	A	96.9	Very high	95.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-37.9	176.6	0	0	0	0	0	112.7	I571 A610 Y614 H615 I620 I621	I571-A617 HydrophobicContact CB-CB 4.29Å; I571-A617 HydrophobicContact CG2-CB 3.94Å; I571-A617 WeakPolarHBondContact CG2-O 3.45Å; A610-A617 HydrophobicContact CB-CB 3.62Å; Y614-A617 HydrophobicContact CD1-CB 4.07Å; Y614-A617 HydrophobicContact CD2-CB 3.56Å; Y614-A617 HydrophobicContact CE1-CB 4.46Å; Y614-A617 HydrophobicContact CE2-CB 3.99Å; Y614-A617 HydrophobicContact CG-CB 3.6Å; Y614-A617 PolarHBondContact O-N 3.31Å; H615-A617 VanDerWaalsContact C-N 3.31Å; H615-A617 PolarHBondContact O-N 3.08Å; A617-I620 PolarHBondContact O-N 3.05Å; A617-I621 PolarHBondContact O-N 3.26Å
618	K	97.9	Very high	95.9	Very high	40 Å²	40	20.5 Å²	20.5	17%	0.174	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-40.2	173	-73.4	-172.2	168.8	-172.8	0	112	E178 A610 P612 Y614 H615 M616 I620 I621 K622	E178-K618 VanDerWaalsContact CD-NZ 3.26Å; E178-K618 WeakPolarHBondContact OE1-CE 3.5Å; E178-K618 IonicContact OE1-NZ 3.03Å; E178-K618 PolarHBondContact OE1-NZ 2.82Å; E178-K618 IonicContact OE2-NZ 3.65Å; E178-K618 PolarHBondContact OE2-NZ 3.14Å; A610-K618 HydrophobicContact CB-CG 3.99Å; P612-K618 VanDerWaalsContact O-CE 3.24Å; P612-K618 WeakPolarHBondContact O-CE 3.45Å; P612-K618 PolarHBondContact O-NZ 3.28Å; P612-K618 VanDerWaalsContact O-NZ 3.12Å; Y614-K618 PolarHBondContact O-N 3.14Å; Y614-K618 VanDerWaalsContact O-N 3.13Å; H615-K618 PolarHBondContact O-N 3.49Å; H615-K618 VanDerWaalsContact O-N 3.09Å; M616-K618 PolarHBondContact O-N 2.86Å; K618-I620 VanDerWaalsContact C-N 3.31Å; K618-I620 PolarHBondContact O-N 3.4Å; K618-I621 WeakPolarHBondContact O-CB 3.23Å; K618-I621 PolarHBondContact O-N 2.86Å; K618-K622 PolarHBondContact O-N 3.03Å
619	L	98.4	Very high	95.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-37.7	173.5	-79.6	172.2	0	0	0	112.5	W175 H615 M616 K622 L623 D761 V762	W175-L619 HydrophobicContact CH2-CD2 3.59Å; W175-L619 HydrophobicContact CH2-CG 4.49Å; W175-L619 HydrophobicContact CZ3-CD2 4.05Å; H615-L619 VanDerWaalsContact NE2-CD1 3.31Å; H615-L619 WeakPolarHBondContact NE2-CD1 3.14Å; H615-L619 PolarHBondContact O-N 2.79Å; M616-L619 WeakPolarHBondContact O-CB 3.36Å; M616-L619 PolarHBondContact O-N 2.89Å; L619-K622 PolarHBondContact O-N 2.86Å; L619-L623 WeakPolarHBondContact O-CB 3.24Å; L619-L623 PolarHBondContact O-N 2.75Å; L619-D761 HydrophobicContact CD1-CB 3.8Å; L619-V762 HydrophobicContact CB-CG2 3.95Å; L619-V762 HydrophobicContact CD1-CG2 4.32Å
620	I	98.8	Very high	96	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-43.4	175	-69	167.6	0	0	0	110.9	I571 E573 Q577 L578 M616 A617 K618 K622 L623 V624	I571-I620 HydrophobicContact CG2-CB 3.99Å; I571-I620 HydrophobicContact CG2-CD1 4.46Å; I571-I620 HydrophobicContact CG2-CG2 3.84Å; E573-I620 HydrophobicContact CG-CD1 4.39Å; Q577-I620 HydrophobicContact CB-CG2 3.87Å; L578-I620 HydrophobicContact CD1-CD1 3.93Å; L578-I620 HydrophobicContact CD1-CG1 4.05Å; L578-I620 HydrophobicContact CD2-CG1 3.89Å; L578-I620 HydrophobicContact CG-CD1 3.91Å; L578-I620 HydrophobicContact CG-CG1 3.79Å; M616-I620 HydrophobicContact CG-CD1 4.36Å; M616-I620 VanDerWaalsContact O-CG1 3.28Å; M616-I620 WeakPolarHBondContact O-CG1 3.38Å; M616-I620 PolarHBondContact O-N 2.79Å; A617-I620 PolarHBondContact O-N 3.05Å; K618-I620 VanDerWaalsContact C-N 3.31Å; K618-I620 PolarHBondContact O-N 3.4Å; I620-K622 VanDerWaalsContact C-N 3.33Å; I620-K622 PolarHBondContact O-N 2.84Å; I620-L623 PolarHBondContact O-N 3.12Å; I620-V624 WeakPolarHBondContact O-CG2 3.47Å; I620-V624 PolarHBondContact O-N 3.08Å
621	I	98.8	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-46.9	174.5	-65.9	172.1	0	0	0	110.3	I171 Q176 I571 A610 A617 K618 L623 V624 T625 F645	I171-I621 HydrophobicContact CD1-CG2 3.88Å; Q176-I621 HydrophobicContact CB-CD1 3.96Å; Q176-I621 HydrophobicContact CB-CG2 4.5Å; I571-I621 HydrophobicContact CG1-CD1 3.99Å; I571-I621 HydrophobicContact CG1-CG1 3.84Å; I571-I621 HydrophobicContact CG2-CG1 4.41Å; A610-I621 HydrophobicContact CB-CD1 3.64Å; A617-I621 PolarHBondContact O-N 3.26Å; K618-I621 WeakPolarHBondContact O-CB 3.23Å; K618-I621 PolarHBondContact O-N 2.86Å; I621-L623 VanDerWaalsContact C-N 3.31Å; I621-L623 PolarHBondContact O-N 3.01Å; I621-V624 PolarHBondContact O-N 3.24Å; I621-T625 PolarHBondContact O-N 3.4Å; I621-T625 VanDerWaalsContact O-N 3.1Å; I621-T625 PolarHBondContact O-OG1 3.47Å; I621-F645 HydrophobicContact CB-CE2 4.22Å; I621-F645 HydrophobicContact CB-CZ 4.35Å; I621-F645 HydrophobicContact CD1-CZ 4.16Å; I621-F645 HydrophobicContact CG1-CE2 3.88Å; I621-F645 HydrophobicContact CG1-CZ 3.88Å; I621-F645 HydrophobicContact CG2-CD2 4.34Å; I621-F645 HydrophobicContact CG2-CE1 4.18Å; I621-F645 HydrophobicContact CG2-CE2 3.83Å; I621-F645 HydrophobicContact CG2-CZ 3.72Å
622	K	98.6	Very high	96.5	Very high	27 Å²	27	25.9 Å²	25.9	12%	0.117	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-41.3	176.9	179	57.5	-178.3	167	0	112.2	N173 G174 W175 K618 L619 I620 T625 S626 F759	N173-K622 PolarHBondContact O-NZ 2.96Å; G174-K622 WeakPolarHBondContact O-CA 3.46Å; W175-K622 HydrophobicContact CD2-CB 4.01Å; W175-K622 HydrophobicContact CD2-CD 4.03Å; W175-K622 HydrophobicContact CD2-CG 4.01Å; W175-K622 HydrophobicContact CE3-CB 3.87Å; W175-K622 HydrophobicContact CE3-CG 4.31Å; W175-K622 HydrophobicContact CG-CD 4.18Å; W175-K622 HydrophobicContact CH2-CB 4.13Å; W175-K622 HydrophobicContact CH2-CG 4.07Å; W175-K622 HydrophobicContact CZ2-CB 4.24Å; W175-K622 HydrophobicContact CZ2-CD 4.27Å; W175-K622 HydrophobicContact CZ2-CG 3.73Å; W175-K622 HydrophobicContact CZ3-CB 3.93Å; W175-K622 HydrophobicContact CZ3-CG 4.34Å; K618-K622 PolarHBondContact O-N 3.03Å; L619-K622 PolarHBondContact O-N 2.86Å; I620-K622 VanDerWaalsContact C-N 3.33Å; I620-K622 PolarHBondContact O-N 2.84Å; K622-T625 PolarHBondContact O-N 3.26Å; K622-T625 PolarHBondContact O-OG1 3.49Å; K622-S626 VanDerWaalsContact O-CB 3.28Å; K622-S626 WeakPolarHBondContact O-CB 3.33Å; K622-S626 PolarHBondContact O-N 3.39Å; K622-S626 PolarHBondContact O-OG 3.45Å; K622-F759 HydrophobicContact CB-CE1 4.3Å; K622-F759 HydrophobicContact CG-CE1 3.9Å; K622-F759 HydrophobicContact CG-CZ 4.04Å
623	L	98.8	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-44.1	177.3	-179.8	60.9	0	0	0	111.8	L578 L619 I620 I621 T625 S626 I627 I746 F759 V762	L578-L623 HydrophobicContact CD2-CD2 3.67Å; L619-L623 WeakPolarHBondContact O-CB 3.24Å; L619-L623 PolarHBondContact O-N 2.75Å; I620-L623 PolarHBondContact O-N 3.12Å; I621-L623 VanDerWaalsContact C-N 3.31Å; I621-L623 PolarHBondContact O-N 3.01Å; L623-T625 VanDerWaalsContact C-N 3.35Å; L623-T625 PolarHBondContact O-N 3.28Å; L623-S626 PolarHBondContact O-N 2.83Å; L623-I627 HydrophobicContact CD1-CD1 4.04Å; L623-I627 HydrophobicContact CD1-CG1 4.18Å; L623-I627 HydrophobicContact CG-CD1 3.86Å; L623-I627 HydrophobicContact CG-CG1 4.45Å; L623-I627 WeakPolarHBondContact O-CD1 3.38Å; L623-I627 VanDerWaalsContact O-CG1 3.24Å; L623-I627 WeakPolarHBondContact O-CG1 3.28Å; L623-I627 PolarHBondContact O-N 3.01Å; L623-I746 HydrophobicContact CD1-CG1 4.35Å; L623-I746 HydrophobicContact CD1-CG2 4.38Å; L623-I746 HydrophobicContact CD2-CD1 4.35Å; L623-F759 HydrophobicContact CB-CD1 4.11Å; L623-F759 HydrophobicContact CB-CE1 3.66Å; L623-F759 HydrophobicContact CB-CZ 4.12Å; L623-F759 HydrophobicContact CD1-CD1 4.13Å; L623-F759 HydrophobicContact CD1-CD2 4.01Å; L623-F759 HydrophobicContact CD1-CE1 4.02Å; L623-F759 HydrophobicContact CD1-CE2 3.88Å; L623-F759 HydrophobicContact CD1-CG 4.13Å; L623-F759 HydrophobicContact CD1-CZ 3.89Å; L623-F759 HydrophobicContact CG-CE1 4.43Å; L623-V762 HydrophobicContact CD2-CG1 4.29Å
624	V	98.8	Very high	97.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-46.8	178	174.2	0	0	0	0	111.2	C581 I606 I620 I621 I627 G628 V643 F645	C581-V624 VanDerWaalsContact SG-CG2 3.53Å; I606-V624 HydrophobicContact CB-CG1 4.08Å; I606-V624 HydrophobicContact CD1-CG1 4.05Å; I606-V624 HydrophobicContact CD1-CG2 3.9Å; I606-V624 HydrophobicContact CG1-CG1 4.49Å; I606-V624 HydrophobicContact CG2-CG2 4.26Å; I620-V624 WeakPolarHBondContact O-CG2 3.47Å; I620-V624 PolarHBondContact O-N 3.08Å; I621-V624 PolarHBondContact O-N 3.24Å; V624-I627 PolarHBondContact O-N 3.15Å; V624-G628 PolarHBondContact O-N 3.05Å; V624-V643 HydrophobicContact CG1-CG1 4.5Å; V624-F645 HydrophobicContact CB-CD2 4.19Å; V624-F645 HydrophobicContact CG1-CB 4.23Å; V624-F645 HydrophobicContact CG1-CD2 3.87Å
625	T	98.4	Very high	97.8	Very high	16 Å²	16	32.2 Å²	32.2	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-66.6	-42.5	180	56.6	0	0	0	0	111.4	I171 G174 I621 K622 L623 I627 G628 D629 F645	I171-T625 HydrophobicContact CG2-CG2 4.01Å; G174-T625 WeakPolarHBondContact CA-OG1 3.47Å; G174-T625 PolarHBondContact O-OG1 3.07Å; I621-T625 PolarHBondContact O-N 3.4Å; I621-T625 VanDerWaalsContact O-N 3.1Å; I621-T625 PolarHBondContact O-OG1 3.47Å; K622-T625 PolarHBondContact O-N 3.26Å; K622-T625 PolarHBondContact O-OG1 3.49Å; L623-T625 VanDerWaalsContact C-N 3.35Å; L623-T625 PolarHBondContact O-N 3.28Å; T625-I627 PolarHBondContact O-N 2.77Å; T625-G628 CarbonylContact O-C 3.6Å; T625-G628 WeakPolarHBondContact O-CA 3.13Å; T625-G628 PolarHBondContact O-N 2.74Å; T625-G628 VanDerWaalsContact O-N 3.08Å; T625-D629 PolarHBondContact O-N 2.82Å; T625-F645 HydrophobicContact CG2-CB 3.8Å; T625-F645 HydrophobicContact CG2-CG 4.14Å
626	S	98.6	Very high	97.9	Very high	5 Å²	5	30 Å²	30	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-39.4	173.6	-86.3	0	0	0	0	113.7	K622 L623 D629 V630 F751	K622-S626 VanDerWaalsContact O-CB 3.28Å; K622-S626 WeakPolarHBondContact O-CB 3.33Å; K622-S626 PolarHBondContact O-N 3.39Å; K622-S626 PolarHBondContact O-OG 3.45Å; L623-S626 PolarHBondContact O-N 2.83Å; S626-D629 PolarHBondContact O-N 3Å; S626-V630 PolarHBondContact O-N 2.83Å; S626-F751 VanDerWaalsContact CB-O 3.23Å; S626-F751 WeakPolarHBondContact CB-O 3.4Å; S626-F751 PolarHBondContact OG-O 3.37Å
627	I	98.7	Very high	97.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-44.9	172.4	-68.4	162.5	0	0	0	109.7	C581 V584 I585 L623 V624 T625 D629 V630 V631 V643 F751	C581-I627 HydrophobicContact CB-CD1 3.75Å; V584-I627 HydrophobicContact CG1-CG2 3.68Å; I585-I627 HydrophobicContact CD1-CD1 3.83Å; I585-I627 HydrophobicContact CD1-CG1 4.23Å; I585-I627 HydrophobicContact CG1-CD1 4.02Å; I585-I627 HydrophobicContact CG1-CG1 4.22Å; L623-I627 HydrophobicContact CD1-CD1 4.04Å; L623-I627 HydrophobicContact CD1-CG1 4.18Å; L623-I627 HydrophobicContact CG-CD1 3.86Å; L623-I627 HydrophobicContact CG-CG1 4.45Å; L623-I627 WeakPolarHBondContact O-CD1 3.38Å; L623-I627 VanDerWaalsContact O-CG1 3.24Å; L623-I627 WeakPolarHBondContact O-CG1 3.28Å; L623-I627 PolarHBondContact O-N 3.01Å; V624-I627 PolarHBondContact O-N 3.15Å; T625-I627 PolarHBondContact O-N 2.77Å; I627-D629 VanDerWaalsContact C-N 3.34Å; I627-D629 PolarHBondContact O-N 3Å; I627-V630 PolarHBondContact O-N 2.74Å; I627-V631 HydrophobicContact CG2-CG2 3.94Å; I627-V631 WeakPolarHBondContact O-CB 3.24Å; I627-V631 VanDerWaalsContact O-CG2 3.27Å; I627-V631 WeakPolarHBondContact O-CG2 3.34Å; I627-V631 PolarHBondContact O-N 2.52Å; I627-V643 HydrophobicContact CG2-CG1 4.36Å; I627-V643 HydrophobicContact CG2-CG2 4.38Å; I627-F751 HydrophobicContact CB-CD1 4.48Å; I627-F751 HydrophobicContact CG1-CD1 4.05Å; I627-F751 HydrophobicContact CG1-CE1 4.18Å; I627-F751 HydrophobicContact CG1-CG 4.28Å
628	G	97.6	Very high	97.6	Very high	4 Å²	4	30.3 Å²	30.3	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-43.4	175.7	0	0	0	0	0	113.3	V624 T625 V630 V631 N632	V624-G628 PolarHBondContact O-N 3.05Å; T625-G628 CarbonylContact O-C 3.6Å; T625-G628 WeakPolarHBondContact O-CA 3.13Å; T625-G628 PolarHBondContact O-N 2.74Å; T625-G628 VanDerWaalsContact O-N 3.08Å; G628-V630 VanDerWaalsContact C-N 3.31Å; G628-V630 PolarHBondContact O-N 2.77Å; G628-V631 PolarHBondContact O-N 2.86Å; G628-N632 WeakPolarHBondContact O-CB 3.42Å; G628-N632 PolarHBondContact O-N 3.3Å; G628-N632 PolarHBondContact O-ND2 2.93Å; G628-N632 VanDerWaalsContact O-ND2 3.12Å
629	D	97	Very high	97.5	Very high	89 Å²	89	32.4 Å²	32.4	48%	0.476	19%	0.186	S	C	.	.	H	α-helix	trans	-59.3	-41.2	178.8	-71.2	-21.5	0	0	0	111.9	T625 S626 I627 H633	T625-D629 PolarHBondContact O-N 2.82Å; S626-D629 PolarHBondContact O-N 3Å; I627-D629 VanDerWaalsContact C-N 3.34Å; I627-D629 PolarHBondContact O-N 3Å; D629-H633 PolarHBondContact O-ND1 2.94Å
630	V	98.2	Very high	97.4	Very high	34 Å²	34	34.4 Å²	34.4	21%	0.206	19%	0.193	C	C	.	.	H	α-helix	trans	-73.4	-52.3	176.9	177.1	0	0	0	0	111.3	Y588 S626 I627 G628 N632 D634 F750 F751	Y588-V630 HydrophobicContact CE1-CG1 4.45Å; S626-V630 PolarHBondContact O-N 2.83Å; I627-V630 PolarHBondContact O-N 2.74Å; G628-V630 VanDerWaalsContact C-N 3.31Å; G628-V630 PolarHBondContact O-N 2.77Å; V630-N632 PolarHBondContact O-N 2.83Å; V630-D634 PolarHBondContact O-N 3.16Å; V630-F750 HydrophobicContact CG1-CE1 3.88Å; V630-F750 HydrophobicContact CG1-CZ 4.26Å; V630-F751 HydrophobicContact CB-CD1 4.09Å; V630-F751 HydrophobicContact CB-CE1 4.22Å; V630-F751 HydrophobicContact CG1-CE1 4.35Å; V630-F751 HydrophobicContact CG2-CD1 3.84Å; V630-F751 HydrophobicContact CG2-CE1 4.42Å
631	V	98	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-43.1	-172.8	173.7	0	0	0	0	111.8	Y588 I627 G628 H633 D634 V637 L641 V643	Y588-V631 HydrophobicContact CD2-CB 4.45Å; Y588-V631 HydrophobicContact CD2-CG1 4.49Å; Y588-V631 HydrophobicContact CD2-CG2 3.78Å; Y588-V631 HydrophobicContact CE2-CG2 4.39Å; Y588-V631 HydrophobicContact CG-CG2 4Å; I627-V631 HydrophobicContact CG2-CG2 3.94Å; I627-V631 WeakPolarHBondContact O-CB 3.24Å; I627-V631 VanDerWaalsContact O-CG2 3.27Å; I627-V631 WeakPolarHBondContact O-CG2 3.34Å; I627-V631 PolarHBondContact O-N 2.52Å; G628-V631 PolarHBondContact O-N 2.86Å; V631-H633 VanDerWaalsContact C-N 3.28Å; V631-H633 PolarHBondContact O-N 3.4Å; V631-D634 PolarHBondContact O-N 3.21Å; V631-V637 HydrophobicContact CG1-CG1 4.36Å; V631-L641 HydrophobicContact CG1-CB 4.21Å; V631-L641 HydrophobicContact CG1-CD2 3.84Å; V631-L641 HydrophobicContact CG1-CG 3.8Å; V631-V643 HydrophobicContact CB-CG2 4.19Å; V631-V643 HydrophobicContact CG1-CG2 3.97Å; V631-V643 HydrophobicContact CG2-CG2 4.36Å
632	N	96.6	Very high	97.3	Very high	38 Å²	38	36.2 Å²	36.2	20%	0.203	20%	0.201	C	C	.	.	H	α-helix	trans	-73.1	-21.9	-172.7	-63.2	-25.3	0	0	0	113.1	G628 V630 K642 V643	G628-N632 WeakPolarHBondContact O-CB 3.42Å; G628-N632 PolarHBondContact O-N 3.3Å; G628-N632 PolarHBondContact O-ND2 2.93Å; G628-N632 VanDerWaalsContact O-ND2 3.12Å; V630-N632 PolarHBondContact O-N 2.83Å; N632-K642 HydrophobicContact CB-CD 4.22Å; N632-K642 PolarHBondContact O-NZ 2.86Å; N632-K642 VanDerWaalsContact OD1-CA 3.29Å; N632-K642 WeakPolarHBondContact OD1-CA 3.49Å; N632-K642 WeakPolarHBondContact OD1-CD 3.44Å; N632-V643 PolarHBondContact ND2-O 3.35Å; N632-V643 PolarHBondContact OD1-N 3.31Å
633	H	96.6	Very high	97.3	Very high	148 Å²	148	35.2 Å²	35.2	69%	0.685	20%	0.197	S	C	*	.	H	α-helix	trans	-103.4	-1.5	-179.1	-61.8	99.6	0	0	0	113.7	D629 V631 P635	D629-H633 PolarHBondContact O-ND1 2.94Å; V631-H633 VanDerWaalsContact C-N 3.28Å; V631-H633 PolarHBondContact O-N 3.4Å; H633-P635 VanDerWaalsContact O-CD 3.31Å; H633-P635 WeakPolarHBondContact O-CD 3.36Å
634	D	97.4	Very high	97.3	Very high	21 Å²	21	36 Å²	36	11%	0.112	20%	0.201	C	C	.	.			trans	-77.4	114.6	176.2	-168.5	-45.5	0	0	0	111	Y588 K592 V630 V631 V636 V637 G638	Y588-D634 HydrophobicContact CE2-CB 4.15Å; Y588-D634 PolarHBondContact OH-OD2 3.07Å; K592-D634 WeakPolarHBondContact CD-OD2 3.46Å; K592-D634 WeakPolarHBondContact CE-OD2 3.16Å; K592-D634 VanDerWaalsContact NZ-CG 3.31Å; K592-D634 IonicContact NZ-OD1 3.07Å; K592-D634 PolarHBondContact NZ-OD1 2.96Å; K592-D634 VanDerWaalsContact NZ-OD1 3.12Å; K592-D634 IonicContact NZ-OD2 3.05Å; K592-D634 PolarHBondContact NZ-OD2 2.87Å; V630-D634 PolarHBondContact O-N 3.16Å; V631-D634 PolarHBondContact O-N 3.21Å; D634-V636 PolarHBondContact O-N 2.85Å; D634-V636 WeakPolarHBondContact OD1-CA 3.23Å; D634-V636 WeakPolarHBondContact OD1-CB 3.49Å; D634-V636 PolarHBondContact OD1-N 3.01Å; D634-V637 HydrophobicContact CB-CB 4.18Å; D634-V637 HydrophobicContact CB-CG2 3.79Å; D634-V637 PolarHBondContact O-N 3.36Å; D634-V637 VanDerWaalsContact O-N 3.12Å; D634-V637 PolarHBondContact OD1-N 3.06Å; D634-G638 PolarHBondContact O-N 3.39Å
635	P	96.6	Very high	97.3	Very high	118 Å²	118	37.2 Å²	37.2	77%	0.766	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.2	-177	28.9	-35.6	0	0	0	112.9	H633 V637	H633-P635 VanDerWaalsContact O-CD 3.31Å; H633-P635 WeakPolarHBondContact O-CD 3.36Å; P635-V637 VanDerWaalsContact C-N 3.34Å
636	V	97.2	Very high	97.3	Very high	57 Å²	57	36.5 Å²	36.5	35%	0.345	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-37.6	174.7	-178.2	0	0	0	0	109.6	K592 P595 D634 R640	K592-V636 HydrophobicContact CD-CB 4.25Å; K592-V636 HydrophobicContact CD-CG1 4.33Å; P595-V636 HydrophobicContact CB-CG1 3.7Å; P595-V636 HydrophobicContact CG-CG1 3.8Å; D634-V636 PolarHBondContact O-N 2.85Å; D634-V636 WeakPolarHBondContact OD1-CA 3.23Å; D634-V636 WeakPolarHBondContact OD1-CB 3.49Å; D634-V636 PolarHBondContact OD1-N 3.01Å; V636-R640 PolarHBondContact O-NH2 3.47Å
637	V	96.9	Very high	97.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-44.3	178.5	177.1	0	0	0	0	111	Y588 I591 K592 V631 D634 P635 D639 R640 L641	Y588-V637 HydrophobicContact CD2-CG2 3.63Å; Y588-V637 HydrophobicContact CE2-CG2 3.61Å; I591-V637 HydrophobicContact CG2-CG2 4.25Å; K592-V637 HydrophobicContact CD-CG2 4.37Å; V631-V637 HydrophobicContact CG1-CG1 4.36Å; D634-V637 HydrophobicContact CB-CB 4.18Å; D634-V637 HydrophobicContact CB-CG2 3.79Å; D634-V637 PolarHBondContact O-N 3.36Å; D634-V637 VanDerWaalsContact O-N 3.12Å; D634-V637 PolarHBondContact OD1-N 3.06Å; P635-V637 VanDerWaalsContact C-N 3.34Å; V637-D639 PolarHBondContact O-N 3.22Å; V637-R640 WeakPolarHBondContact O-CB 3.39Å; V637-R640 PolarHBondContact O-N 3.27Å; V637-R640 PolarHBondContact O-NE 2.82Å; V637-R640 VanDerWaalsContact O-NE 3.15Å; V637-L641 HydrophobicContact CG1-CB 3.76Å; V637-L641 WeakPolarHBondContact CG1-O 3.43Å
638	G	92.8	Very high	97.1	Very high	32 Å²	32	38.4 Å²	38.4	33%	0.33	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	-126.1	179.6	0	0	0	0	0	112.3	D634 K642	D634-G638 PolarHBondContact O-N 3.39Å; G638-K642 WeakPolarHBondContact O-CE 3.42Å; G638-K642 PolarHBondContact O-NZ 3.49Å
639	D	94.2	Very high	97.1	Very high	84 Å²	84	40 Å²	40	45%	0.449	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	5.3	178.7	73.9	-31.1	0	0	0	113.5	N559 V637	N559-D639 HydrophobicContact CB-CB 4.45Å; N559-D639 PolarHBondContact ND2-OD2 3.27Å; V637-D639 PolarHBondContact O-N 3.22Å
640	R	97	Very high	97.1	Very high	45 Å²	45	38.8 Å²	38.8	17%	0.17	20%	0.204	C	C	.	.	S	Bend	trans	-73.2	-28.8	-178	-61.5	-177.4	-73	-177.7	-8.3	113	I591 P595 P601 R602 V636 V637	I591-R640 HydrophobicContact CD1-CB 4.47Å; P595-R640 PolarHBondContact O-NH1 3.49Å; P595-R640 PolarHBondContact O-NH2 3.4Å; P601-R640 CarbonylContact C-O 3.45Å; P601-R640 VanDerWaalsContact CA-O 3.26Å; P601-R640 WeakPolarHBondContact CA-O 3.29Å; R602-R640 PolarHBondContact N-O 3.2Å; V636-R640 PolarHBondContact O-NH2 3.47Å; V637-R640 WeakPolarHBondContact O-CB 3.39Å; V637-R640 PolarHBondContact O-N 3.27Å; V637-R640 PolarHBondContact O-NE 2.82Å; V637-R640 VanDerWaalsContact O-NE 3.15Å
641	L	98.4	Very high	97.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	126.6	175.3	-176	64.1	0	0	0	109.4	L587 I591 R602 V604 V631 V637 V643	L587-L641 HydrophobicContact CB-CD2 4.03Å; L587-L641 HydrophobicContact CD1-CD1 4.33Å; I591-L641 HydrophobicContact CD1-CB 4Å; I591-L641 HydrophobicContact CD1-CD2 4.42Å; R602-L641 HydrophobicContact CB-CD1 4.12Å; R602-L641 CarbonylContact O-C 3.41Å; R602-L641 WeakPolarHBondContact O-CA 3.21Å; V604-L641 HydrophobicContact CG2-CD1 4.08Å; V631-L641 HydrophobicContact CG1-CB 4.21Å; V631-L641 HydrophobicContact CG1-CD2 3.84Å; V631-L641 HydrophobicContact CG1-CG 3.8Å; V637-L641 HydrophobicContact CG1-CB 3.76Å; V637-L641 WeakPolarHBondContact CG1-O 3.43Å; L641-V643 HydrophobicContact CG-CG2 4.47Å
642	K	97.9	Very high	97.1	Very high	39 Å²	39	37.4 Å²	37.4	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.7	167.7	-67	-62	-177.4	-160.8	0	109.8	R602 T603 V604 N632 G638	R602-K642 PolarHBondContact O-N 3.24Å; T603-K642 HydrophobicContact CG2-CB 4.33Å; V604-K642 PolarHBondContact N-O 2.63Å; N632-K642 HydrophobicContact CB-CD 4.22Å; N632-K642 PolarHBondContact O-NZ 2.86Å; N632-K642 VanDerWaalsContact OD1-CA 3.29Å; N632-K642 WeakPolarHBondContact OD1-CA 3.49Å; N632-K642 WeakPolarHBondContact OD1-CD 3.44Å; G638-K642 WeakPolarHBondContact O-CE 3.42Å; G638-K642 PolarHBondContact O-NZ 3.49Å
643	V	98.4	Very high	97.1	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	111.9	-179	-177.4	0	0	0	0	108.5	V584 V604 V624 I627 V631 N632 L641	V584-V643 HydrophobicContact CG1-CG1 4.42Å; V584-V643 HydrophobicContact CG1-CG2 3.35Å; V604-V643 CarbonylContact O-C 3.58Å; V604-V643 WeakPolarHBondContact O-CA 3.28Å; V624-V643 HydrophobicContact CG1-CG1 4.5Å; I627-V643 HydrophobicContact CG2-CG1 4.36Å; I627-V643 HydrophobicContact CG2-CG2 4.38Å; V631-V643 HydrophobicContact CB-CG2 4.19Å; V631-V643 HydrophobicContact CG1-CG2 3.97Å; V631-V643 HydrophobicContact CG2-CG2 4.36Å; N632-V643 PolarHBondContact ND2-O 3.35Å; N632-V643 PolarHBondContact OD1-N 3.31Å; L641-V643 HydrophobicContact CG-CG2 4.47Å
644	I	98.1	Very high	97.2	Very high	15 Å²	15	28.7 Å²	28.7	8%	0.077	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130	-173.3	-51.5	-52.6	0	0	0	109.2	V556 I558 T603 V604 M605 I606 L646	V556-I644 HydrophobicContact CG1-CD1 3.44Å; V556-I644 VanDerWaalsContact CG1-CD1 3.44Å; V556-I644 HydrophobicContact CG1-CG1 4.15Å; I558-I644 HydrophobicContact CG2-CD1 4.44Å; I558-I644 HydrophobicContact CG2-CG1 4.19Å; T603-I644 HydrophobicContact CG2-CG1 4.32Å; V604-I644 PolarHBondContact O-N 3.26Å; M605-I644 WeakPolarHBondContact CA-O 3.41Å; M605-I644 HydrophobicContact CG-CB 4.3Å; I606-I644 PolarHBondContact N-O 2.99Å; I644-L646 HydrophobicContact CG2-CD2 4.19Å
645	F	98.4	Very high	97.3	Very high	29 Å²	29	28.6 Å²	28.6	13%	0.127	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.2	165	-169.7	-89.4	0	0	0	109.6	I171 I606 G608 I621 V624 T625 E647	I171-F645 HydrophobicContact CD1-CD1 3.88Å; I171-F645 HydrophobicContact CD1-CE1 3.6Å; I171-F645 HydrophobicContact CD1-CZ 4.42Å; I171-F645 HydrophobicContact CG1-CD1 3.82Å; I171-F645 HydrophobicContact CG1-CE1 3.97Å; I606-F645 CarbonylContact O-C 3.49Å; I606-F645 VanDerWaalsContact O-CA 3.24Å; I606-F645 WeakPolarHBondContact O-CA 3.44Å; G608-F645 WeakPolarHBondContact O-CZ 3.42Å; I621-F645 HydrophobicContact CB-CE2 4.22Å; I621-F645 HydrophobicContact CB-CZ 4.35Å; I621-F645 HydrophobicContact CD1-CZ 4.16Å; I621-F645 HydrophobicContact CG1-CE2 3.88Å; I621-F645 HydrophobicContact CG1-CZ 3.88Å; I621-F645 HydrophobicContact CG2-CD2 4.34Å; I621-F645 HydrophobicContact CG2-CE1 4.18Å; I621-F645 HydrophobicContact CG2-CE2 3.83Å; I621-F645 HydrophobicContact CG2-CZ 3.72Å; V624-F645 HydrophobicContact CB-CD2 4.19Å; V624-F645 HydrophobicContact CG1-CB 4.23Å; V624-F645 HydrophobicContact CG1-CD2 3.87Å; T625-F645 HydrophobicContact CG2-CB 3.8Å; T625-F645 HydrophobicContact CG2-CG 4.14Å; F645-E647 PolarHBondContact O-N 3Å
646	L	98.3	Very high	97.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	99.9	178.2	-63.3	-179.8	0	0	0	109.8	F546 L550 V568 M605 I606 I644 L653 V657	F546-L646 HydrophobicContact CZ-CD1 4.34Å; F546-L646 HydrophobicContact CZ-CD2 4.14Å; L550-L646 HydrophobicContact CD2-CD2 3.82Å; V568-L646 HydrophobicContact CG1-CD1 3.83Å; M605-L646 HydrophobicContact CB-CD1 3.96Å; M605-L646 HydrophobicContact CB-CG 4.16Å; I606-L646 PolarHBondContact O-N 3.2Å; I644-L646 HydrophobicContact CG2-CD2 4.19Å; L646-L653 HydrophobicContact CB-CD2 4.21Å; L646-V657 HydrophobicContact CD1-CB 4.45Å; L646-V657 HydrophobicContact CD1-CG2 3.83Å
647	E	97.6	Very high	97.5	Very high	32 Å²	32	22.5 Å²	22.5	15%	0.15	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	141	179	179.1	174.8	115.8	0	0	112.3	Q169 K170 I171 Y554 F645 Y649 L653	Q169-E647 WeakPolarHBondContact O-CG 3.28Å; K170-E647 VanDerWaalsContact CD-OE1 3.23Å; K170-E647 WeakPolarHBondContact CD-OE1 3.36Å; K170-E647 IonicContact NZ-OE1 3.28Å; K170-E647 PolarHBondContact NZ-OE1 2.85Å; I171-E647 HydrophobicContact CG1-CB 4.23Å; I171-E647 HydrophobicContact CG1-CG 4.22Å; I171-E647 PolarHBondContact N-OE2 2.9Å; Y554-E647 HydrophobicContact CE1-CB 3.95Å; Y554-E647 PolarHBondContact OH-O 3.36Å; F645-E647 PolarHBondContact O-N 3Å; E647-Y649 PolarHBondContact O-N 3.46Å; E647-L653 WeakPolarHBondContact O-CD2 3.02Å
648	N	96.8	Very high	97.6	Very high	13 Å²	13	22.5 Å²	22.5	7%	0.07	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	48.1	171.1	-160.2	23	0	0	0	114.2	N168 Q169 K609 R650	N168-N648 PolarHBondContact OD1-ND2 2.95Å; Q169-N648 HydrophobicContact CB-CB 4.1Å; Q169-N648 PolarHBondContact N-OD1 3.09Å; Q169-N648 WeakPolarHBondContact O-CB 3.49Å; K609-N648 WeakPolarHBondContact CE-OD1 3.47Å; K609-N648 PolarHBondContact NZ-OD1 2.93Å; N648-R650 PolarHBondContact ND2-NH1 3.46Å; N648-R650 VanDerWaalsContact ND2-NH1 3.15Å; N648-R650 WeakPolarHBondContact O-CG 3.3Å; N648-R650 PolarHBondContact O-N 2.75Å; N648-R650 VanDerWaalsContact O-N 3.15Å; N648-R650 PolarHBondContact O-NH1 2.93Å
649	Y	97.7	Very high	97.8	Very high	38 Å²	38	21.1 Å²	21.1	15%	0.149	10%	0.096	C	C	.	.			trans	-53.8	121	174.6	-178.6	-108	0	0	0	111.9	V568 E647 L653 A654 V657	V568-Y649 HydrophobicContact CB-CD2 3.82Å; V568-Y649 HydrophobicContact CB-CE1 4.28Å; V568-Y649 HydrophobicContact CB-CE2 3.53Å; V568-Y649 HydrophobicContact CB-CG 4.32Å; V568-Y649 HydrophobicContact CG1-CD2 4.1Å; V568-Y649 HydrophobicContact CG1-CE2 4.15Å; V568-Y649 HydrophobicContact CG2-CD2 4.37Å; V568-Y649 HydrophobicContact CG2-CE2 3.6Å; E647-Y649 PolarHBondContact O-N 3.46Å; Y649-L653 HydrophobicContact CD2-CD2 4.36Å; Y649-L653 HydrophobicContact CD2-CG 4.5Å; Y649-A654 HydrophobicContact CE2-CB 3.71Å; Y649-A654 WeakPolarHBondContact OH-CB 3.39Å; Y649-V657 HydrophobicContact CE2-CG1 4.48Å
650	R	96.5	Very high	98.1	Very high	63 Å²	63	17.1 Å²	17.1	24%	0.238	8%	0.075	C	C	.	.			trans	-152.5	179.7	-175.3	64.3	-169	178.2	-86.3	8.4	110.6	Y91 D129 N648 S652 L653 A654	Y91-R650 VanDerWaalsContact OH-CA 3.27Å; Y91-R650 WeakPolarHBondContact OH-CA 3.29Å; Y91-R650 VanDerWaalsContact OH-CB 3.31Å; Y91-R650 WeakPolarHBondContact OH-CB 3.32Å; D129-R650 IonicContact OD1-NE 2.77Å; N648-R650 PolarHBondContact ND2-NH1 3.46Å; N648-R650 VanDerWaalsContact ND2-NH1 3.15Å; N648-R650 WeakPolarHBondContact O-CG 3.3Å; N648-R650 PolarHBondContact O-N 2.75Å; N648-R650 VanDerWaalsContact O-N 3.15Å; N648-R650 PolarHBondContact O-NH1 2.93Å; R650-S652 PolarHBondContact NE-OG 2.9Å; R650-S652 PolarHBondContact O-N 3.15Å; R650-L653 HydrophobicContact CG-CB 4.35Å; R650-L653 PolarHBondContact O-N 2.87Å; R650-A654 WeakPolarHBondContact O-CB 3.25Å; R650-A654 PolarHBondContact O-N 3.49Å
651	V	97.9	Very high	98.2	Very high	4 Å²	4	15 Å²	15	2%	0.024	7%	0.066	C	C	.	.	H	α-helix	trans	-59.6	-48.1	-175.4	178	0	0	0	0	111.2	Y91 D129 W492 L653 A654 E655	Y91-V651 HydrophobicContact CD1-CG2 3.59Å; Y91-V651 HydrophobicContact CD2-CG2 4.19Å; Y91-V651 HydrophobicContact CE1-CG2 3.78Å; Y91-V651 HydrophobicContact CE2-CG2 4.37Å; Y91-V651 HydrophobicContact CG-CG2 3.84Å; D129-V651 PolarHBondContact OD2-N 2.81Å; W492-V651 HydrophobicContact CH2-CG1 4.09Å; W492-V651 HydrophobicContact CZ2-CG1 4.4Å; V651-L653 VanDerWaalsContact C-N 3.3Å; V651-L653 PolarHBondContact O-N 2.71Å; V651-A654 WeakPolarHBondContact O-CB 3.47Å; V651-A654 PolarHBondContact O-N 2.85Å; V651-A654 VanDerWaalsContact O-N 3.08Å; V651-E655 WeakPolarHBondContact O-CG 3.29Å; V651-E655 PolarHBondContact O-N 3.16Å
652	S	97.4	Very high	98.2	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.007	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-29.7	178.2	55.3	0	0	0	0	114.5	D129 R650	D129-S652 VanDerWaalsContact CG-OG 3.31Å; D129-S652 WeakPolarHBondContact OD1-CB 3.25Å; D129-S652 PolarHBondContact OD1-OG 2.91Å; D129-S652 PolarHBondContact OD2-N 2.86Å; D129-S652 PolarHBondContact OD2-OG 3.35Å; R650-S652 PolarHBondContact NE-OG 2.9Å; R650-S652 PolarHBondContact O-N 3.15Å
653	L	98.1	Very high	98.2	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	6%	0.059	C	C	.	.	H	α-helix	trans	-76.7	-36	172.5	-173.2	59.8	0	0	0	111.5	F546 F549 L646 E647 Y649 R650 V651 E655 K656 V657	F546-L653 HydrophobicContact CE2-CD1 4.3Å; F549-L653 HydrophobicContact CE1-CD1 3.63Å; F549-L653 HydrophobicContact CZ-CD1 3.94Å; L646-L653 HydrophobicContact CB-CD2 4.21Å; E647-L653 WeakPolarHBondContact O-CD2 3.02Å; Y649-L653 HydrophobicContact CD2-CD2 4.36Å; Y649-L653 HydrophobicContact CD2-CG 4.5Å; R650-L653 HydrophobicContact CG-CB 4.35Å; R650-L653 PolarHBondContact O-N 2.87Å; V651-L653 VanDerWaalsContact C-N 3.3Å; V651-L653 PolarHBondContact O-N 2.71Å; L653-E655 VanDerWaalsContact C-N 3.32Å; L653-E655 PolarHBondContact O-N 3.4Å; L653-K656 PolarHBondContact O-N 2.98Å; L653-K656 VanDerWaalsContact O-N 3.13Å; L653-V657 WeakPolarHBondContact O-CG1 3.43Å; L653-V657 PolarHBondContact O-N 2.89Å
654	A	98.6	Very high	98.3	Very high	1 Å²	1	13 Å²	13	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-60.7	-42.5	174.8	0	0	0	0	0	111.4	W492 Y649 R650 V651 K656 V657 I658	W492-A654 HydrophobicContact CH2-CB 3.96Å; W492-A654 HydrophobicContact CZ3-CB 3.95Å; Y649-A654 HydrophobicContact CE2-CB 3.71Å; Y649-A654 WeakPolarHBondContact OH-CB 3.39Å; R650-A654 WeakPolarHBondContact O-CB 3.25Å; R650-A654 PolarHBondContact O-N 3.49Å; V651-A654 WeakPolarHBondContact O-CB 3.47Å; V651-A654 PolarHBondContact O-N 2.85Å; V651-A654 VanDerWaalsContact O-N 3.08Å; A654-K656 PolarHBondContact O-N 3.48Å; A654-V657 PolarHBondContact O-N 3.12Å; A654-I658 HydrophobicContact CB-CD1 3.92Å; A654-I658 VanDerWaalsContact O-CB 3.27Å; A654-I658 WeakPolarHBondContact O-CB 3.49Å; A654-I658 WeakPolarHBondContact O-CD1 3.45Å; A654-I658 WeakPolarHBondContact O-CG1 3.39Å; A654-I658 PolarHBondContact O-N 2.93Å
655	E	98.6	Very high	98.3	Very high	18 Å²	18	12.3 Å²	12.3	8%	0.084	5%	0.054	C	C	.	.	H	α-helix	trans	-59.8	-23.2	175.4	-71.3	166.6	175.1	0	0	112.9	R491 W492 L495 C496 V651 L653 P659	R491-E655 VanDerWaalsContact CD-OE1 3.25Å; R491-E655 WeakPolarHBondContact CD-OE1 3.35Å; R491-E655 WeakPolarHBondContact CG-OE1 3.49Å; R491-E655 IonicContact CZ-OE1 3.91Å; R491-E655 IonicContact NE-OE1 2.82Å; R491-E655 IonicContact NH1-OE1 3.56Å; R491-E655 PolarHBondContact NH1-OE1 3.41Å; W492-E655 HydrophobicContact CH2-CG 4.42Å; W492-E655 HydrophobicContact CZ3-CG 4Å; L495-E655 HydrophobicContact CD2-CG 4.45Å; C496-E655 HydrophobicContact CB-CB 4.01Å; C496-E655 HydrophobicContact CB-CG 4.21Å; C496-E655 WeakPolarHBondContact CB-O 3.25Å; V651-E655 WeakPolarHBondContact O-CG 3.29Å; V651-E655 PolarHBondContact O-N 3.16Å; L653-E655 VanDerWaalsContact C-N 3.32Å; L653-E655 PolarHBondContact O-N 3.4Å; E655-P659 VanDerWaalsContact O-CD 3.22Å; E655-P659 WeakPolarHBondContact O-CD 3.44Å; E655-P659 VanDerWaalsContact O-CG 3.28Å; E655-P659 WeakPolarHBondContact O-CG 3.29Å
656	K	98.4	Very high	98.3	Very high	47 Å²	47	11.6 Å²	11.6	20%	0.204	5%	0.051	C	C	.	.	H	α-helix	trans	-91.4	-46.4	177	-66.1	178.3	173.4	74.7	0	113.2	E125 F546 F549 L653 A654	E125-K656 VanDerWaalsContact CD-NZ 3.27Å; E125-K656 WeakPolarHBondContact OE1-CE 3.31Å; E125-K656 IonicContact OE1-NZ 3.28Å; E125-K656 PolarHBondContact OE1-NZ 3.37Å; E125-K656 IonicContact OE2-NZ 3.83Å; E125-K656 PolarHBondContact OE2-NZ 3.39Å; F546-K656 HydrophobicContact CD2-CB 3.94Å; F546-K656 HydrophobicContact CE2-CB 4Å; F549-K656 HydrophobicContact CD1-CD 4.37Å; F549-K656 HydrophobicContact CD2-CD 3.91Å; F549-K656 HydrophobicContact CE1-CD 4.21Å; F549-K656 HydrophobicContact CE2-CD 3.73Å; F549-K656 HydrophobicContact CG-CD 4.23Å; F549-K656 HydrophobicContact CZ-CD 3.91Å; L653-K656 PolarHBondContact O-N 2.98Å; L653-K656 VanDerWaalsContact O-N 3.13Å; A654-K656 PolarHBondContact O-N 3.48Å
657	V	98.8	Very high	98.3	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-77.8	-33.3	-173.7	71.5	0	0	0	0	113	F546 V566 V568 L646 Y649 L653 A654 A660 A661	F546-V657 HydrophobicContact CE1-CB 4.34Å; F546-V657 HydrophobicContact CE1-CG2 3.88Å; F546-V657 HydrophobicContact CE2-CB 3.86Å; F546-V657 HydrophobicContact CE2-CG2 4.3Å; F546-V657 HydrophobicContact CZ-CB 3.72Å; F546-V657 HydrophobicContact CZ-CG2 3.69Å; V566-V657 HydrophobicContact CG1-CG2 3.79Å; V566-V657 HydrophobicContact CG2-CG2 4.13Å; V568-V657 HydrophobicContact CG2-CG1 4.22Å; L646-V657 HydrophobicContact CD1-CB 4.45Å; L646-V657 HydrophobicContact CD1-CG2 3.83Å; Y649-V657 HydrophobicContact CE2-CG1 4.48Å; L653-V657 WeakPolarHBondContact O-CG1 3.43Å; L653-V657 PolarHBondContact O-N 2.89Å; A654-V657 PolarHBondContact O-N 3.12Å; V657-A660 PolarHBondContact O-N 2.85Å; V657-A661 PolarHBondContact O-N 3.21Å
658	I	98.9	Very high	98.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.1	-48.1	-176.6	-68.4	167.4	0	0	0	111.9	W492 A654 A660 A661 K681 F682 N685	W492-I658 HydrophobicContact CE3-CD1 4.15Å; W492-I658 HydrophobicContact CZ3-CD1 3.85Å; A654-I658 HydrophobicContact CB-CD1 3.92Å; A654-I658 VanDerWaalsContact O-CB 3.27Å; A654-I658 WeakPolarHBondContact O-CB 3.49Å; A654-I658 WeakPolarHBondContact O-CD1 3.45Å; A654-I658 WeakPolarHBondContact O-CG1 3.39Å; A654-I658 PolarHBondContact O-N 2.93Å; I658-A660 PolarHBondContact O-N 3.07Å; I658-A661 PolarHBondContact O-N 2.83Å; I658-K681 HydrophobicContact CD1-CB 3.84Å; I658-K681 HydrophobicContact CD1-CD 3.7Å; I658-K681 HydrophobicContact CD1-CG 4.39Å; I658-K681 HydrophobicContact CG2-CB 4.03Å; I658-F682 HydrophobicContact CB-CD1 4.4Å; I658-F682 HydrophobicContact CB-CE1 4.15Å; I658-F682 HydrophobicContact CG1-CD1 4.29Å; I658-F682 HydrophobicContact CG1-CE1 3.8Å; I658-F682 HydrophobicContact CG1-CE2 4.23Å; I658-F682 HydrophobicContact CG1-CZ 3.76Å; I658-F682 HydrophobicContact CG2-CD1 4.07Å; I658-F682 HydrophobicContact CG2-CE1 4.33Å; I658-F682 HydrophobicContact CG2-CG 4.5Å; I658-N685 HydrophobicContact CG2-CB 3.87Å
659	P	98.9	Very high	98.4	Very high	3 Å²	3	9.8 Å²	9.8	2%	0.019	4%	0.043	C	C	.	.	H	α-helix	trans	-60.7	-26.6	175.3	-25.2	35.8	0	0	0	114	C496 N497 K539 N542 E655	C496-P659 HydrophobicContact CB-CG 4.12Å; C496-P659 VanDerWaalsContact O-CG 3.3Å; C496-P659 WeakPolarHBondContact O-CG 3.45Å; N497-P659 HydrophobicContact CB-CB 4.09Å; N497-P659 HydrophobicContact CB-CG 4.1Å; K539-P659 PolarHBondContact NZ-O 3.07Å; N542-P659 HydrophobicContact CB-CB 4.25Å; N542-P659 WeakPolarHBondContact CB-O 3.26Å; N542-P659 PolarHBondContact ND2-O 3.29Å; E655-P659 VanDerWaalsContact O-CD 3.22Å; E655-P659 WeakPolarHBondContact O-CD 3.44Å; E655-P659 VanDerWaalsContact O-CG 3.28Å; E655-P659 WeakPolarHBondContact O-CG 3.29Å
660	A	98.8	Very high	98.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-88.7	-18.4	-177.4	0	0	0	0	0	114.3	N542 K543 F546 F564 V657 I658	N542-A660 HydrophobicContact CB-CB 4.5Å; K543-A660 HydrophobicContact CG-CB 4.46Å; K543-A660 WeakPolarHBondContact CG-O 2.97Å; F546-A660 HydrophobicContact CB-CB 3.6Å; F546-A660 HydrophobicContact CD1-CB 4.26Å; F546-A660 HydrophobicContact CG-CB 3.97Å; F564-A660 HydrophobicContact CD2-CB 4.21Å; F564-A660 WeakPolarHBondContact CD2-O 3.5Å; F564-A660 HydrophobicContact CE2-CB 4.46Å; V657-A660 PolarHBondContact O-N 2.85Å; I658-A660 PolarHBondContact O-N 3.07Å
661	A	98.9	Very high	98.1	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.			trans	-70.4	141.8	-175.4	0	0	0	0	0	112.8	K539 V566 V657 I658 F682 A687	K539-A661 WeakPolarHBondContact CE-O 3.47Å; K539-A661 PolarHBondContact NZ-O 3.35Å; V566-A661 HydrophobicContact CB-CB 4.05Å; V566-A661 HydrophobicContact CG2-CB 3.62Å; V657-A661 PolarHBondContact O-N 3.21Å; I658-A661 PolarHBondContact O-N 2.83Å; A661-F682 HydrophobicContact CB-CD1 3.71Å; A661-F682 HydrophobicContact CB-CE1 3.39Å; A661-A687 HydrophobicContact CB-CB 4.17Å; A661-A687 WeakPolarHBondContact O-CB 3.32Å
662	D	98.9	Very high	97.8	Very high	5 Å²	5	6.7 Å²	6.7	3%	0.027	4%	0.039	C	C	.	.	S	Bend	trans	-96.2	-45.1	170	-65.6	-54.6	0	0	0	110.3	K543 M563 F564 A687 L688 Y792 W798	K543-D662 VanDerWaalsContact CE-OD2 3.3Å; K543-D662 WeakPolarHBondContact CE-OD2 3.3Å; K543-D662 IonicContact NZ-OD1 2.72Å; K543-D662 IonicContact NZ-OD2 2.86Å; K543-D662 PolarHBondContact NZ-OD2 3.03Å; M563-D662 HydrophobicContact CG-CB 3.77Å; F564-D662 PolarHBondContact N-OD2 3.05Å; F564-D662 PolarHBondContact O-N 3.26Å; D662-A687 CarbonylContact O-C 3.54Å; D662-A687 VanDerWaalsContact O-CA 3.3Å; D662-A687 WeakPolarHBondContact O-CA 3.29Å; D662-L688 PolarHBondContact O-N 3.13Å; D662-Y792 HydrophobicContact CB-CE2 4.23Å; D662-W798 HydrophobicContact CB-CZ2 4Å; D662-W798 WeakPolarHBondContact O-CZ2 3.24Å
663	L	98.9	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.1	-178.9	-171.3	73.9	0	0	0	110.4	M563 F564 D565 V566 L688 I690 F710 V788 W798	M563-L663 HydrophobicContact CE-CD2 4.16Å; M563-L663 HydrophobicContact SD-CB 4.16Å; F564-L663 PolarHBondContact O-N 3.09Å; D565-L663 HydrophobicContact CB-CD2 4.49Å; V566-L663 PolarHBondContact N-O 3.43Å; L663-L688 CarbonylContact C-O 3.14Å; L663-L688 WeakPolarHBondContact CA-O 3.37Å; L663-I690 HydrophobicContact CD1-CB 4.12Å; L663-I690 HydrophobicContact CD1-CG2 3.93Å; L663-I690 HydrophobicContact CD2-CG2 3.83Å; L663-I690 HydrophobicContact CG-CG2 3.82Å; L663-F710 HydrophobicContact CD1-CD2 4.44Å; L663-V788 HydrophobicContact CD1-CG1 3.9Å; L663-V788 HydrophobicContact CD1-CG2 4.15Å; L663-V788 HydrophobicContact CD2-CG1 3.91Å; L663-V788 HydrophobicContact CD2-CG2 4.48Å; L663-V788 HydrophobicContact CG-CG1 4.46Å; L663-W798 HydrophobicContact CD1-CH2 4.42Å
664	S	98.9	Very high	97.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.9	178.5	151.4	0	0	0	0	110.7	Q666 F682 L688 I690	S664-Q666 PolarHBondContact OG-NE2 2.79Å; S664-F682 VanDerWaalsContact CB-CG 3.44Å; S664-F682 WeakPolarHBondContact OG-CD2 3.42Å; S664-L688 PolarHBondContact N-O 2.9Å; S664-I690 PolarHBondContact O-N 3.11Å
665	Q	98.9	Very high	96.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	107.9	-179.3	-64.2	-72.8	-15.6	0	0	111.8	D565 V566 H567 K569 I690 Y781	D565-Q665 VanDerWaalsContact OD1-CG 3.26Å; D565-Q665 WeakPolarHBondContact OD1-CG 3.46Å; D565-Q665 PolarHBondContact OD1-NE2 3.39Å; D565-Q665 PolarHBondContact OD2-NE2 3.23Å; V566-Q665 PolarHBondContact O-N 3Å; H567-Q665 HydrophobicContact CB-CB 3.65Å; H567-Q665 HydrophobicContact CB-CG 3.94Å; K569-Q665 PolarHBondContact NZ-O 3.31Å; Q665-I690 HydrophobicContact CG-CG2 4.43Å; Q665-Y781 PolarHBondContact NE2-OH 3.11Å; Q665-Y781 VanDerWaalsContact NE2-OH 3.16Å; Q665-Y781 PolarHBondContact OE1-OH 3.21Å
666	Q	98.6	Very high	96.4	Very high	13 Å²	13	8.6 Å²	8.6	6%	0.061	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	60.9	179.6	-52.9	-59	-17.2	0	0	110.7	S664 N679 T689 I690 G691 T692 N697	S664-Q666 PolarHBondContact OG-NE2 2.79Å; Q666-N679 HydrophobicContact CG-CB 3.66Å; Q666-T689 HydrophobicContact CB-CG2 4Å; Q666-T689 HydrophobicContact CG-CG2 3.76Å; Q666-I690 PolarHBondContact N-O 3.25Å; Q666-G691 WeakPolarHBondContact O-CA 3.42Å; Q666-T692 PolarHBondContact O-N 2.88Å; Q666-N697 WeakPolarHBondContact CB-ND2 3.36Å; Q666-N697 PolarHBondContact O-ND2 2.65Å
667	I	98.7	Very high	96.3	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.048	C	C	.	.			trans	-106.5	32.6	-161.7	62.9	173.8	0	0	0	113.5	R576 L579 N580 F712 Y781	R576-I667 HydrophobicContact CB-CG1 4.47Å; R576-I667 PolarHBondContact NE-O 2.95Å; R576-I667 PolarHBondContact NH2-O 2.96Å; R576-I667 WeakPolarHBondContact O-CD1 3.48Å; L579-I667 HydrophobicContact CB-CD1 4.23Å; L579-I667 HydrophobicContact CD2-CD1 4.37Å; L579-I667 HydrophobicContact CG-CD1 4.4Å; N580-I667 HydrophobicContact CB-CD1 4.06Å; I667-F712 HydrophobicContact CB-CE1 4.45Å; I667-F712 HydrophobicContact CB-CZ 3.99Å; I667-F712 HydrophobicContact CG2-CE1 3.69Å; I667-F712 HydrophobicContact CG2-CZ 3.66Å; I667-Y781 HydrophobicContact CG2-CE2 3.93Å
668	S	98.1	Very high	96.2	Very high	4 Å²	4	7.9 Å²	7.9	3%	0.028	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-62.3	157.4	174.5	42.8	0	0	0	0	111.6	Y574 R576 E673 T692 D694	Y574-S668 VanDerWaalsContact O-CA 3.26Å; Y574-S668 WeakPolarHBondContact O-CA 3.5Å; Y574-S668 WeakPolarHBondContact O-CB 3.27Å; R576-S668 PolarHBondContact NH2-O 2.9Å; S668-E673 WeakPolarHBondContact OG-CB 3.38Å; S668-T692 WeakPolarHBondContact O-CB 3.28Å; S668-T692 VanDerWaalsContact O-CG2 3.28Å; S668-T692 WeakPolarHBondContact O-CG2 3.45Å; S668-T692 PolarHBondContact O-OG1 2.81Å; S668-D694 VanDerWaalsContact CB-OD2 3.27Å; S668-D694 WeakPolarHBondContact CB-OD2 3.42Å; S668-D694 PolarHBondContact OG-OD2 2.78Å
669	T	98	Very high	96.2	Very high	4 Å²	4	8 Å²	8	3%	0.025	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-65.5	134	171.7	-52.6	0	0	0	0	108.9	Y574 R576 G671 T672 D694 V719 F772	Y574-T669 PolarHBondContact O-N 3.04Å; R576-T669 WeakPolarHBondContact CD-OG1 3.49Å; T669-G671 PolarHBondContact O-N 3.4Å; T669-T672 WeakPolarHBondContact O-CB 3.47Å; T669-T672 PolarHBondContact O-N 3.35Å; T669-T672 VanDerWaalsContact O-N 3.1Å; T669-T672 PolarHBondContact O-OG1 3.38Å; T669-D694 VanDerWaalsContact O-OD2 3.05Å; T669-V719 HydrophobicContact CG2-CG2 4.13Å; T669-F772 WeakPolarHBondContact OG1-CB 3.33Å; T669-F772 PolarHBondContact OG1-O 3.46Å
670	A	96.3	Very high	96.2	Very high	5 Å²	5	7.9 Å²	7.9	4%	0.041	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	131.2	-178	0	0	0	0	0	111.7	L714 V716 V719	A670-L714 WeakPolarHBondContact CB-O 3.42Å; A670-V716 HydrophobicContact CB-CG2 4.13Å; A670-V719 HydrophobicContact CB-CG2 4.42Å
671	G	92	Very high	96.2	Very high	18 Å²	18	8.4 Å²	8.4	19%	0.186	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	5.4	-177.6	0	0	0	0	0	114.6	V380 T669 D694	V380-G671 VanDerWaalsContact CG2-O 3.28Å; V380-G671 WeakPolarHBondContact CG2-O 3.34Å; T669-G671 PolarHBondContact O-N 3.4Å; G671-D694 WeakPolarHBondContact CA-OD1 3.37Å; G671-D694 PolarHBondContact N-OD1 3.22Å
672	T	92.2	Very high	96.2	Very high	18 Å²	18	8.4 Å²	8.4	11%	0.11	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-35	-177.5	64.4	0	0	0	0	114	Y574 T669 D694 F772	Y574-T672 WeakPolarHBondContact CD2-OG1 3.3Å; T669-T672 WeakPolarHBondContact O-CB 3.47Å; T669-T672 PolarHBondContact O-N 3.35Å; T669-T672 VanDerWaalsContact O-N 3.1Å; T669-T672 PolarHBondContact O-OG1 3.38Å; T672-D694 PolarHBondContact N-OD1 2.98Å; T672-F772 HydrophobicContact CG2-CD1 4.28Å; T672-F772 HydrophobicContact CG2-CE1 4.32Å
673	E	91.8	Very high	96.2	Very high	34 Å²	34	8.2 Å²	8.2	16%	0.159	6%	0.058	C	C	.	.			trans	-87.5	113.3	173.6	-168.2	84.7	-138.6	0	0	109.8	Y574 K575 S668 S675 D694 G695	Y574-E673 HydrophobicContact CE2-CB 4.36Å; Y574-E673 VanDerWaalsContact CE2-OE2 3.3Å; Y574-E673 WeakPolarHBondContact CE2-OE2 3.31Å; K575-E673 VanDerWaalsContact NZ-CD 3.26Å; K575-E673 IonicContact NZ-OE1 2.73Å; K575-E673 PolarHBondContact NZ-OE1 3.32Å; K575-E673 IonicContact NZ-OE2 3.83Å; K575-E673 PolarHBondContact NZ-OE2 2.97Å; S668-E673 WeakPolarHBondContact OG-CB 3.38Å; E673-S675 PolarHBondContact O-N 2.88Å; E673-S675 VanDerWaalsContact O-N 3.14Å; E673-D694 WeakPolarHBondContact CB-OD2 3.45Å; E673-D694 PolarHBondContact N-OD2 2.97Å; E673-G695 WeakPolarHBondContact O-CA 3.4Å; E673-G695 PolarHBondContact O-N 3.4Å
674	A	89.9	Confident	96.2	Very high	11 Å²	11	8.3 Å²	8.3	9%	0.091	6%	0.059	C	C	.	.	S	Bend	trans	-57.5	-32.1	179.2	0	0	0	0	0	113.6	H378 V456 A457 H460	H378-A674 VanDerWaalsContact O-CB 3.23Å; H378-A674 WeakPolarHBondContact O-CB 3.28Å; V456-A674 HydrophobicContact CG2-CB 3.66Å; A457-A674 VanDerWaalsContact CB-O 3.23Å; A457-A674 WeakPolarHBondContact CB-O 3.43Å; H460-A674 HydrophobicContact CB-CB 4.46Å; H460-A674 WeakPolarHBondContact CB-O 3.47Å; H460-A674 VanDerWaalsContact CD2-CA 3.47Å; H460-A674 WeakPolarHBondContact CD2-CA 3.18Å; H460-A674 WeakPolarHBondContact CD2-CB 3.43Å; H460-A674 WeakPolarHBondContact NE2-CB 3.31Å
675	S	92.3	Very high	96.2	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.021	6%	0.059	C	C	.	.			trans	-159.8	-65.4	-179.2	-179.3	0	0	0	0	111.1	V456 N485 E673 N679 A696	V456-S675 WeakPolarHBondContact O-CB 3.44Å; V456-S675 PolarHBondContact O-OG 3.19Å; V456-S675 VanDerWaalsContact O-OG 3.06Å; N485-S675 WeakPolarHBondContact ND2-CB 3.13Å; N485-S675 PolarHBondContact ND2-OG 3.18Å; E673-S675 PolarHBondContact O-N 2.88Å; E673-S675 VanDerWaalsContact O-N 3.14Å; S675-N679 PolarHBondContact O-ND2 3.34Å; S675-A696 VanDerWaalsContact O-CB 3.3Å; S675-A696 WeakPolarHBondContact O-CB 3.4Å; S675-A696 PolarHBondContact O-N 3.18Å
676	G	89.1	Confident	96.2	Very high	15 Å²	15	8.4 Å²	8.4	16%	0.155	6%	0.06	C	C	.	.			trans	79.2	132.6	-167	0	0	0	0	0	111.4	N679	G676-N679 PolarHBondContact O-OD1 3.43Å
677	T	95.3	Very high	96.2	Very high	14 Å²	14	7.8 Å²	7.8	9%	0.086	6%	0.057	C	C	.	.	S	Bend	trans	-116.5	-12.5	174.6	54.9	0	0	0	0	112.7	L140 N485 N679 M680 K681	L140-T677 HydrophobicContact CD1-CG2 4.34Å; N485-T677 HydrophobicContact CB-CG2 3.97Å; T677-N679 WeakPolarHBondContact CA-OD1 3.34Å; T677-N679 PolarHBondContact N-OD1 2.6Å; T677-M680 HydrophobicContact CG2-SD 4.44Å; T677-K681 WeakPolarHBondContact O-CG 3.17Å; T677-K681 PolarHBondContact O-N 3.01Å
678	G	97.3	Very high	96.2	Very high	19 Å²	19	7.8 Å²	7.8	20%	0.196	6%	0.057	C	C	.	.	H	α-helix	trans	-64.4	-42.2	173	0	0	0	0	0	111.9	M680 K681 F682	G678-M680 VanDerWaalsContact C-N 3.34Å; G678-M680 PolarHBondContact O-N 3.37Å; G678-K681 WeakPolarHBondContact O-CB 3.01Å; G678-K681 PolarHBondContact O-N 3.13Å; G678-K681 VanDerWaalsContact O-N 3.1Å; G678-F682 WeakPolarHBondContact O-CD2 3.36Å; G678-F682 PolarHBondContact O-N 3.31Å
679	N	98.1	Very high	96.2	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-52.4	-46.4	175	56	-5.3	0	0	0	112.8	Q666 S675 G676 T677 K681 F682 M683 N697 M700	Q666-N679 HydrophobicContact CG-CB 3.66Å; S675-N679 PolarHBondContact O-ND2 3.34Å; G676-N679 PolarHBondContact O-OD1 3.43Å; T677-N679 WeakPolarHBondContact CA-OD1 3.34Å; T677-N679 PolarHBondContact N-OD1 2.6Å; N679-K681 VanDerWaalsContact C-N 3.33Å; N679-K681 PolarHBondContact O-N 3.38Å; N679-F682 PolarHBondContact O-N 2.81Å; N679-M683 WeakPolarHBondContact O-CB 3.39Å; N679-M683 PolarHBondContact O-N 3.03Å; N679-N697 PolarHBondContact ND2-OD1 3.03Å; N679-N697 VanDerWaalsContact ND2-OD1 3.08Å; N679-M700 HydrophobicContact CB-CE 4Å; N679-M700 HydrophobicContact CB-SD 3.58Å; N679-M700 VanDerWaalsContact CB-SD 3.58Å; N679-M700 VanDerWaalsContact CG-SD 3.59Å
680	M	98.8	Very high	96.3	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-61.5	-40.2	176.9	-59.5	170	-174.8	0	0	111.8	N485 I487 T677 G678 M683 L684 A696 F812	N485-M680 HydrophobicContact CB-CE 4.08Å; N485-M680 WeakPolarHBondContact O-CE 3.41Å; I487-M680 HydrophobicContact CD1-CB 3.88Å; I487-M680 HydrophobicContact CG1-CB 4.14Å; I487-M680 HydrophobicContact CG2-CB 4.26Å; I487-M680 HydrophobicContact CG2-SD 4.43Å; T677-M680 HydrophobicContact CG2-SD 4.44Å; G678-M680 VanDerWaalsContact C-N 3.34Å; G678-M680 PolarHBondContact O-N 3.37Å; M680-M683 PolarHBondContact O-N 3.32Å; M680-L684 WeakPolarHBondContact O-CB 3.5Å; M680-L684 PolarHBondContact O-N 2.85Å; M680-A696 HydrophobicContact CE-CB 3.51Å; M680-F812 HydrophobicContact CB-CB 4.03Å; M680-F812 HydrophobicContact CB-CG 4.47Å; M680-F812 HydrophobicContact CE-CD1 3.85Å; M680-F812 HydrophobicContact CG-CB 3.81Å; M680-F812 HydrophobicContact CG-CD1 4Å; M680-F812 HydrophobicContact CG-CG 3.9Å; M680-F812 HydrophobicContact SD-CB 3.94Å; M680-F812 HydrophobicContact SD-CD1 4.12Å; M680-F812 HydrophobicContact SD-CG 4.32Å
681	K	98.9	Very high	96.4	Very high	11 Å²	11	7.2 Å²	7.2	5%	0.048	5%	0.052	C	C	.	.	H	α-helix	trans	-67	-42.8	-179.6	-58.9	166.9	-170	-175.4	0	111.2	I487 W492 I658 T677 G678 N679 N685	I487-K681 HydrophobicContact CB-CG 4.49Å; I487-K681 VanDerWaalsContact CD1-CA 3.46Å; I487-K681 HydrophobicContact CD1-CB 4.04Å; I487-K681 HydrophobicContact CD1-CG 3.56Å; I487-K681 HydrophobicContact CG2-CG 4Å; W492-K681 HydrophobicContact CB-CG 4.31Å; W492-K681 HydrophobicContact CD2-CD 3.64Å; W492-K681 HydrophobicContact CD2-CG 3.86Å; W492-K681 VanDerWaalsContact CE2-CE 3.43Å; W492-K681 HydrophobicContact CE3-CD 3.69Å; W492-K681 HydrophobicContact CE3-CG 4.11Å; W492-K681 HydrophobicContact CG-CD 4.24Å; W492-K681 HydrophobicContact CG-CG 3.95Å; W492-K681 HydrophobicContact CH2-CD 4.14Å; W492-K681 HydrophobicContact CZ2-CD 4.08Å; W492-K681 HydrophobicContact CZ3-CD 3.94Å; I658-K681 HydrophobicContact CD1-CB 3.84Å; I658-K681 HydrophobicContact CD1-CD 3.7Å; I658-K681 HydrophobicContact CD1-CG 4.39Å; I658-K681 HydrophobicContact CG2-CB 4.03Å; T677-K681 WeakPolarHBondContact O-CG 3.17Å; T677-K681 PolarHBondContact O-N 3.01Å; G678-K681 WeakPolarHBondContact O-CB 3.01Å; G678-K681 PolarHBondContact O-N 3.13Å; G678-K681 VanDerWaalsContact O-N 3.1Å; N679-K681 VanDerWaalsContact C-N 3.33Å; N679-K681 PolarHBondContact O-N 3.38Å; K681-N685 WeakPolarHBondContact O-CB 3.46Å; K681-N685 PolarHBondContact O-N 2.79Å; K681-N685 VanDerWaalsContact O-N 3.12Å; K681-N685 PolarHBondContact O-ND2 3.04Å
682	F	98.9	Very high	96.7	Very high	1 Å²	1	6.3 Å²	6.3	0%	0.004	4%	0.044	C	C	.	.	H	α-helix	trans	-63.8	-44.3	176.3	-79.6	-65.6	0	0	0	111.8	V566 V568 I658 A661 S664 G678 N679 L684 N685 G686 A687	V566-F682 HydrophobicContact CB-CE1 4.37Å; V566-F682 HydrophobicContact CB-CZ 4.32Å; V566-F682 HydrophobicContact CG1-CE1 4.25Å; V566-F682 HydrophobicContact CG1-CZ 3.85Å; V568-F682 HydrophobicContact CG2-CE2 4.02Å; V568-F682 HydrophobicContact CG2-CZ 3.74Å; I658-F682 HydrophobicContact CB-CD1 4.4Å; I658-F682 HydrophobicContact CB-CE1 4.15Å; I658-F682 HydrophobicContact CG1-CD1 4.29Å; I658-F682 HydrophobicContact CG1-CE1 3.8Å; I658-F682 HydrophobicContact CG1-CE2 4.23Å; I658-F682 HydrophobicContact CG1-CZ 3.76Å; I658-F682 HydrophobicContact CG2-CD1 4.07Å; I658-F682 HydrophobicContact CG2-CE1 4.33Å; I658-F682 HydrophobicContact CG2-CG 4.5Å; A661-F682 HydrophobicContact CB-CD1 3.71Å; A661-F682 HydrophobicContact CB-CE1 3.39Å; S664-F682 VanDerWaalsContact CB-CG 3.44Å; S664-F682 WeakPolarHBondContact OG-CD2 3.42Å; G678-F682 WeakPolarHBondContact O-CD2 3.36Å; G678-F682 PolarHBondContact O-N 3.31Å; N679-F682 PolarHBondContact O-N 2.81Å; F682-L684 PolarHBondContact O-N 2.9Å; F682-N685 CarbonylContact O-C 3.54Å; F682-N685 PolarHBondContact O-N 2.93Å; F682-G686 PolarHBondContact O-N 2.73Å; F682-A687 HydrophobicContact CB-CB 4.02Å; F682-A687 HydrophobicContact CD1-CB 3.93Å; F682-A687 HydrophobicContact CG-CB 4.42Å; F682-A687 PolarHBondContact O-N 3.48Å
683	M	98.9	Very high	96.9	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-58.2	-48.5	176.1	-173.7	-177.9	-178.7	0	0	111.8	N679 M680 N685 G686 M700 A704 N805 C808 F812	N679-M683 WeakPolarHBondContact O-CB 3.39Å; N679-M683 PolarHBondContact O-N 3.03Å; M680-M683 PolarHBondContact O-N 3.32Å; M683-N685 VanDerWaalsContact C-N 3.26Å; M683-N685 PolarHBondContact O-N 3.35Å; M683-G686 PolarHBondContact O-N 2.97Å; M683-M700 HydrophobicContact CB-CE 3.95Å; M683-M700 HydrophobicContact CG-CE 4.35Å; M683-M700 HydrophobicContact SD-CB 4.09Å; M683-M700 HydrophobicContact SD-CE 3.92Å; M683-M700 HydrophobicContact SD-CG 3.79Å; M683-M700 HydrophobicContact SD-SD 4.48Å; M683-A704 HydrophobicContact CE-CB 3.86Å; M683-N805 WeakPolarHBondContact CE-O 3.35Å; M683-N805 HydrophobicContact CG-CB 4.08Å; M683-C808 HydrophobicContact CE-CB 4.21Å; M683-F812 HydrophobicContact CE-CE2 4.15Å; M683-F812 HydrophobicContact SD-CD2 3.95Å; M683-F812 HydrophobicContact SD-CE2 3.71Å
684	L	98.9	Very high	97.1	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-63.1	-30.8	179.1	-176	61.6	0	0	0	112.9	I487 L493 L516 L519 M680 F682 S809	I487-L684 HydrophobicContact CD1-CD2 4.08Å; L493-L684 HydrophobicContact CB-CD2 3.89Å; L493-L684 HydrophobicContact CB-CG 4.15Å; L493-L684 HydrophobicContact CD2-CD1 3.98Å; L493-L684 HydrophobicContact CD2-CG 4.24Å; L516-L684 HydrophobicContact CD1-CD1 4.31Å; L516-L684 HydrophobicContact CD2-CD1 4.23Å; L519-L684 HydrophobicContact CD1-CD1 3.71Å; M680-L684 WeakPolarHBondContact O-CB 3.5Å; M680-L684 PolarHBondContact O-N 2.85Å; F682-L684 PolarHBondContact O-N 2.9Å; L684-S809 VanDerWaalsContact CD1-OG 3.22Å; L684-S809 WeakPolarHBondContact CD1-OG 3.28Å
685	N	98.9	Very high	97.3	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	11.8	179.9	-77.2	-84.3	0	0	0	114.1	W492 N497 K539 I658 K681 F682 M683	W492-N685 PolarHBondContact O-ND2 3.2Å; N497-N685 WeakPolarHBondContact CB-OD1 3.22Å; N497-N685 PolarHBondContact ND2-OD1 2.96Å; K539-N685 PolarHBondContact NZ-O 3.43Å; I658-N685 HydrophobicContact CG2-CB 3.87Å; K681-N685 WeakPolarHBondContact O-CB 3.46Å; K681-N685 PolarHBondContact O-N 2.79Å; K681-N685 VanDerWaalsContact O-N 3.12Å; K681-N685 PolarHBondContact O-ND2 3.04Å; F682-N685 CarbonylContact O-C 3.54Å; F682-N685 PolarHBondContact O-N 2.93Å; M683-N685 VanDerWaalsContact C-N 3.26Å; M683-N685 PolarHBondContact O-N 3.35Å
686	G	98.4	Very high	97.4	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.021	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	31.2	173.5	0	0	0	0	0	115.3	F682 M683 V802	F682-G686 PolarHBondContact O-N 2.73Å; M683-G686 PolarHBondContact O-N 2.97Å; G686-V802 WeakPolarHBondContact O-CG1 3.29Å; G686-V802 WeakPolarHBondContact O-CG2 3.43Å
687	A	98.9	Very high	97.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.027	C	C	.	.			trans	-92.3	139.1	162.6	0	0	0	0	0	109.7	A661 D662 F682	A661-A687 HydrophobicContact CB-CB 4.17Å; A661-A687 WeakPolarHBondContact O-CB 3.32Å; D662-A687 CarbonylContact O-C 3.54Å; D662-A687 VanDerWaalsContact O-CA 3.3Å; D662-A687 WeakPolarHBondContact O-CA 3.29Å; F682-A687 HydrophobicContact CB-CB 4.02Å; F682-A687 HydrophobicContact CD1-CB 3.93Å; F682-A687 HydrophobicContact CG-CB 4.42Å; F682-A687 PolarHBondContact O-N 3.48Å
688	L	98.9	Very high	97.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	148.9	171.7	-62.9	-172	0	0	0	110.2	D662 L663 S664 F710 L791 W798 K801 V802 N805	D662-L688 PolarHBondContact O-N 3.13Å; L663-L688 CarbonylContact C-O 3.14Å; L663-L688 WeakPolarHBondContact CA-O 3.37Å; S664-L688 PolarHBondContact N-O 2.9Å; L688-F710 HydrophobicContact CB-CD2 4.44Å; L688-F710 HydrophobicContact CB-CE2 4.21Å; L688-F710 HydrophobicContact CD1-CE2 3.81Å; L688-L791 HydrophobicContact CD1-CD2 4.07Å; L688-W798 HydrophobicContact CB-CH2 4.15Å; L688-W798 HydrophobicContact CB-CZ2 4.12Å; L688-W798 HydrophobicContact CD1-CD2 3.78Å; L688-W798 HydrophobicContact CD1-CE3 3.75Å; L688-W798 HydrophobicContact CD1-CH2 3.83Å; L688-W798 HydrophobicContact CD1-CZ2 3.84Å; L688-W798 HydrophobicContact CD1-CZ3 3.79Å; L688-W798 HydrophobicContact CG-CH2 4.23Å; L688-W798 HydrophobicContact CG-CZ2 3.93Å; L688-K801 HydrophobicContact CD1-CB 4.21Å; L688-K801 HydrophobicContact CD1-CD 4.18Å; L688-K801 HydrophobicContact CD1-CG 4.03Å; L688-K801 HydrophobicContact CD2-CB 4.27Å; L688-K801 HydrophobicContact CD2-CG 3.9Å; L688-V802 HydrophobicContact CD2-CG2 3.84Å; L688-V802 HydrophobicContact CG-CG2 3.92Å; L688-N805 WeakPolarHBondContact CD2-ND2 3.4Å
689	T	98.9	Very high	98	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.9	-177.6	-62.8	0	0	0	0	110.7	Q666 M700 F710	Q666-T689 HydrophobicContact CB-CG2 4Å; Q666-T689 HydrophobicContact CG-CG2 3.76Å; T689-M700 HydrophobicContact CG2-CE 4.38Å; T689-F710 PolarHBondContact O-N 3.07Å
690	I	98.9	Very high	98	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.1	160.3	-176.7	169.5	0	0	0	108.5	L663 S664 Q665 Q666 F710 F712 Y781 C784 Q785 V788	L663-I690 HydrophobicContact CD1-CB 4.12Å; L663-I690 HydrophobicContact CD1-CG2 3.93Å; L663-I690 HydrophobicContact CD2-CG2 3.83Å; L663-I690 HydrophobicContact CG-CG2 3.82Å; S664-I690 PolarHBondContact O-N 3.11Å; Q665-I690 HydrophobicContact CG-CG2 4.43Å; Q666-I690 PolarHBondContact N-O 3.25Å; I690-F710 VanDerWaalsContact CA-O 3.3Å; I690-F710 WeakPolarHBondContact CA-O 3.16Å; I690-F710 HydrophobicContact CB-CB 4.02Å; I690-F710 HydrophobicContact CG1-CB 4.14Å; I690-F712 HydrophobicContact CD1-CD1 4.42Å; I690-F712 HydrophobicContact CD1-CE1 4.47Å; I690-F712 HydrophobicContact CG1-CD1 3.87Å; I690-F712 HydrophobicContact CG1-CE1 3.86Å; I690-Y781 HydrophobicContact CD1-CD2 3.98Å; I690-Y781 HydrophobicContact CD1-CE2 3.68Å; I690-Y781 HydrophobicContact CG1-CE2 4.23Å; I690-C784 HydrophobicContact CD1-CB 4.19Å; I690-Q785 HydrophobicContact CD1-CG 3.71Å; I690-V788 HydrophobicContact CD1-CG2 4.3Å
691	G	98.4	Very high	97.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	169.6	-172.3	0	0	0	0	0	115	Q666 F710 I711 F712	Q666-G691 WeakPolarHBondContact O-CA 3.42Å; G691-F710 PolarHBondContact N-O 3.18Å; G691-I711 VanDerWaalsContact O-CA 3.32Å; G691-I711 WeakPolarHBondContact O-CA 3.14Å; G691-F712 WeakPolarHBondContact O-CD1 3.26Å; G691-F712 PolarHBondContact O-N 3.09Å; G691-F712 VanDerWaalsContact O-N 3.13Å
692	T	98.4	Very high	97.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.			trans	-84.3	164.7	170.8	47.8	0	0	0	0	111	Q666 S668 D694 N697 F712	Q666-T692 PolarHBondContact O-N 2.88Å; S668-T692 WeakPolarHBondContact O-CB 3.28Å; S668-T692 VanDerWaalsContact O-CG2 3.28Å; S668-T692 WeakPolarHBondContact O-CG2 3.45Å; S668-T692 PolarHBondContact O-OG1 2.81Å; T692-D694 PolarHBondContact O-N 3.35Å; T692-D694 WeakPolarHBondContact OG1-CB 3.44Å; T692-N697 VanDerWaalsContact O-CB 3.31Å; T692-N697 WeakPolarHBondContact O-CB 3.44Å; T692-N697 PolarHBondContact O-ND2 2.83Å; T692-F712 HydrophobicContact CG2-CE2 4.33Å; T692-F712 HydrophobicContact CG2-CZ 4.2Å
693	M	97.1	Very high	97.8	Very high	29 Å²	29	10.4 Å²	10.4	14%	0.143	5%	0.052	C	C	.	.	S	Bend	trans	-76	67.8	169.1	-70.3	-62.8	-74.1	0	0	110.5	V698 I711	M693-V698 HydrophobicContact CB-CG2 4.27Å; M693-V698 HydrophobicContact CE-CB 4.16Å; M693-V698 HydrophobicContact CE-CG1 3.85Å; M693-V698 HydrophobicContact CE-CG2 3.99Å; M693-I711 HydrophobicContact CG-CG2 3.58Å; M693-I711 HydrophobicContact SD-CD1 4.2Å; M693-I711 HydrophobicContact SD-CG1 4.25Å; M693-I711 HydrophobicContact SD-CG2 3.82Å
694	D	95.1	Very high	97.7	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.016	6%	0.055	C	C	.	.			trans	-130.4	147.6	-175.9	-165.2	27.8	0	0	0	111.3	S668 T669 G671 T672 E673 T692 A696 N697	S668-D694 VanDerWaalsContact CB-OD2 3.27Å; S668-D694 WeakPolarHBondContact CB-OD2 3.42Å; S668-D694 PolarHBondContact OG-OD2 2.78Å; T669-D694 VanDerWaalsContact O-OD2 3.05Å; G671-D694 WeakPolarHBondContact CA-OD1 3.37Å; G671-D694 PolarHBondContact N-OD1 3.22Å; T672-D694 PolarHBondContact N-OD1 2.98Å; E673-D694 WeakPolarHBondContact CB-OD2 3.45Å; E673-D694 PolarHBondContact N-OD2 2.97Å; T692-D694 PolarHBondContact O-N 3.35Å; T692-D694 WeakPolarHBondContact OG1-CB 3.44Å; D694-A696 PolarHBondContact O-N 3.02Å; D694-N697 VanDerWaalsContact O-CB 3.23Å; D694-N697 WeakPolarHBondContact O-CB 3.25Å; D694-N697 PolarHBondContact O-N 2.9Å
695	G	94.1	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	-130.1	179.4	0	0	0	0	0	114.2	E673 N697	E673-G695 WeakPolarHBondContact O-CA 3.4Å; E673-G695 PolarHBondContact O-N 3.4Å; G695-N697 VanDerWaalsContact C-N 3.28Å; G695-N697 PolarHBondContact O-N 2.87Å
696	A	96	Very high	97.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-77.5	-7	-179.1	0	0	0	0	0	113.9	S675 M680 D694 V698 E699 M700	S675-A696 VanDerWaalsContact O-CB 3.3Å; S675-A696 WeakPolarHBondContact O-CB 3.4Å; S675-A696 PolarHBondContact O-N 3.18Å; M680-A696 HydrophobicContact CE-CB 3.51Å; D694-A696 PolarHBondContact O-N 3.02Å; A696-V698 PolarHBondContact O-N 3.25Å; A696-E699 PolarHBondContact O-N 2.96Å; A696-M700 VanDerWaalsContact O-CG 3.26Å; A696-M700 WeakPolarHBondContact O-CG 3.43Å; A696-M700 PolarHBondContact O-N 3.31Å
697	N	97.7	Very high	97.2	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-33.1	173.8	-62.4	-12.2	0	0	0	111.1	Q666 N679 T692 D694 G695 M700 A701	Q666-N697 WeakPolarHBondContact CB-ND2 3.36Å; Q666-N697 PolarHBondContact O-ND2 2.65Å; N679-N697 PolarHBondContact ND2-OD1 3.03Å; N679-N697 VanDerWaalsContact ND2-OD1 3.08Å; T692-N697 VanDerWaalsContact O-CB 3.31Å; T692-N697 WeakPolarHBondContact O-CB 3.44Å; T692-N697 PolarHBondContact O-ND2 2.83Å; D694-N697 VanDerWaalsContact O-CB 3.23Å; D694-N697 WeakPolarHBondContact O-CB 3.25Å; D694-N697 PolarHBondContact O-N 2.9Å; G695-N697 VanDerWaalsContact C-N 3.28Å; G695-N697 PolarHBondContact O-N 2.87Å; N697-M700 PolarHBondContact O-N 3.07Å; N697-A701 WeakPolarHBondContact O-CB 3.34Å; N697-A701 PolarHBondContact O-N 2.93Å
698	V	97.3	Very high	97.2	Very high	20 Å²	20	21 Å²	21	12%	0.121	12%	0.119	C	C	.	.	H	α-helix	trans	-58.6	-52.8	175.3	-179.7	0	0	0	0	109.9	I459 M693 A696 M700 A701 E702	I459-V698 HydrophobicContact CD1-CG2 4.25Å; I459-V698 HydrophobicContact CG2-CG2 4.45Å; M693-V698 HydrophobicContact CB-CG2 4.27Å; M693-V698 HydrophobicContact CE-CB 4.16Å; M693-V698 HydrophobicContact CE-CG1 3.85Å; M693-V698 HydrophobicContact CE-CG2 3.99Å; A696-V698 PolarHBondContact O-N 3.25Å; V698-M700 VanDerWaalsContact C-N 3.33Å; V698-M700 PolarHBondContact O-N 3.36Å; V698-A701 PolarHBondContact O-N 2.8Å; V698-E702 WeakPolarHBondContact O-CG 3.16Å; V698-E702 PolarHBondContact O-N 3.11Å
699	E	97.9	Very high	97.1	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-68.8	-32	-179.1	-63	-178.8	73.9	0	0	111.9	A457 R458 T484 A696 E702 E703 K811 F812	A457-E699 WeakPolarHBondContact CA-OE2 3.2Å; A457-E699 WeakPolarHBondContact CB-OE2 3.18Å; R458-E699 PolarHBondContact N-OE2 2.72Å; T484-E699 WeakPolarHBondContact CG2-OE1 3.49Å; T484-E699 VanDerWaalsContact CG2-OE2 3.24Å; T484-E699 WeakPolarHBondContact CG2-OE2 3.42Å; T484-E699 PolarHBondContact OG1-OE1 3.4Å; T484-E699 PolarHBondContact OG1-OE2 2.83Å; T484-E699 VanDerWaalsContact OG1-OE2 3.08Å; A696-E699 PolarHBondContact O-N 2.96Å; E699-E702 PolarHBondContact O-N 3.47Å; E699-E703 WeakPolarHBondContact O-CG 3.42Å; E699-E703 PolarHBondContact O-N 2.84Å; E699-K811 VanDerWaalsContact OE1-CE 3.31Å; E699-K811 WeakPolarHBondContact OE1-CE 3.4Å; E699-K811 IonicContact OE1-NZ 2.76Å; E699-K811 PolarHBondContact OE1-NZ 2.73Å; E699-F812 HydrophobicContact CB-CE1 4.08Å; E699-F812 HydrophobicContact CB-CZ 4.27Å
700	M	98.4	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-41	172.8	-70.9	168.3	51.3	0	0	111.9	N679 M683 T689 A696 N697 V698 E702 E703 A704 L709 F812	N679-M700 HydrophobicContact CB-CE 4Å; N679-M700 HydrophobicContact CB-SD 3.58Å; N679-M700 VanDerWaalsContact CB-SD 3.58Å; N679-M700 VanDerWaalsContact CG-SD 3.59Å; M683-M700 HydrophobicContact CB-CE 3.95Å; M683-M700 HydrophobicContact CG-CE 4.35Å; M683-M700 HydrophobicContact SD-CB 4.09Å; M683-M700 HydrophobicContact SD-CE 3.92Å; M683-M700 HydrophobicContact SD-CG 3.79Å; M683-M700 HydrophobicContact SD-SD 4.48Å; T689-M700 HydrophobicContact CG2-CE 4.38Å; A696-M700 VanDerWaalsContact O-CG 3.26Å; A696-M700 WeakPolarHBondContact O-CG 3.43Å; A696-M700 PolarHBondContact O-N 3.31Å; N697-M700 PolarHBondContact O-N 3.07Å; V698-M700 VanDerWaalsContact C-N 3.33Å; V698-M700 PolarHBondContact O-N 3.36Å; M700-E702 VanDerWaalsContact C-N 3.34Å; M700-E703 PolarHBondContact O-N 2.9Å; M700-A704 WeakPolarHBondContact O-CB 3.46Å; M700-A704 PolarHBondContact O-N 3.43Å; M700-L709 HydrophobicContact CB-CD2 4.16Å; M700-F812 HydrophobicContact CB-CE2 4.36Å; M700-F812 HydrophobicContact CB-CZ 4.16Å; M700-F812 HydrophobicContact CG-CD2 4.38Å; M700-F812 HydrophobicContact CG-CE1 4.09Å; M700-F812 HydrophobicContact CG-CE2 3.68Å; M700-F812 HydrophobicContact CG-CZ 3.52Å
701	A	97.3	Very high	97.1	Very high	7 Å²	7	24.2 Å²	24.2	6%	0.058	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-36.8	174.9	0	0	0	0	0	111.9	N697 V698 G705 A706 L709	N697-A701 WeakPolarHBondContact O-CB 3.34Å; N697-A701 PolarHBondContact O-N 2.93Å; V698-A701 PolarHBondContact O-N 2.8Å; A701-G705 CarbonylContact O-C 3.6Å; A701-G705 VanDerWaalsContact O-CA 3.22Å; A701-G705 WeakPolarHBondContact O-CA 3.49Å; A701-G705 PolarHBondContact O-N 3.34Å; A701-A706 PolarHBondContact O-N 3.24Å; A701-L709 HydrophobicContact CB-CD2 4.09Å
702	E	97.5	Very high	97.1	Very high	95 Å²	95	24.9 Å²	24.9	44%	0.444	14%	0.138	S	C	.	.	H	α-helix	trans	-63.1	-46.9	173.8	-71.7	173.5	-172.7	0	0	111.9	R458 V698 E699 M700	R458-E702 IonicContact CZ-OE2 3.55Å; R458-E702 VanDerWaalsContact NH1-CD 3.26Å; R458-E702 IonicContact NH1-OE1 2.94Å; R458-E702 PolarHBondContact NH1-OE1 2.73Å; R458-E702 IonicContact NH1-OE2 3.48Å; R458-E702 PolarHBondContact NH1-OE2 2.69Å; R458-E702 IonicContact NH2-OE2 3.42Å; V698-E702 WeakPolarHBondContact O-CG 3.16Å; V698-E702 PolarHBondContact O-N 3.11Å; E699-E702 PolarHBondContact O-N 3.47Å; M700-E702 VanDerWaalsContact C-N 3.34Å
703	E	98.3	Very high	97.1	Very high	53 Å²	53	26.2 Å²	26.2	25%	0.248	15%	0.152	C	C	.	.	H	α-helix	trans	-71.8	-43.6	-177.9	-69.3	-61.3	137.7	0	0	112.8	K520 E699 M700 C808 K811 F812	K520-E703 IonicContact NZ-OE2 2.69Å; E699-E703 WeakPolarHBondContact O-CG 3.42Å; E699-E703 PolarHBondContact O-N 2.84Å; M700-E703 PolarHBondContact O-N 2.9Å; E703-C808 HydrophobicContact CB-CB 4.24Å; E703-C808 VanDerWaalsContact O-CB 3.3Å; E703-C808 WeakPolarHBondContact O-CB 3.47Å; E703-C808 PolarHBondContact O-SG 2.65Å; E703-K811 HydrophobicContact CG-CB 4.09Å; E703-K811 HydrophobicContact CG-CD 3.75Å; E703-K811 WeakPolarHBondContact OE1-CD 3.24Å; E703-K811 IonicContact OE1-NZ 2.68Å; E703-F812 HydrophobicContact CB-CE2 4.43Å; E703-F812 HydrophobicContact CG-CE2 4.24Å; E703-F812 HydrophobicContact CG-CZ 4.07Å
704	A	96.8	Very high	97.1	Very high	7 Å²	7	26.6 Å²	26.6	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-83.4	-16.8	-176.7	0	0	0	0	0	113.5	M683 M700 N708 L709 C808	M683-A704 HydrophobicContact CE-CB 3.86Å; M700-A704 WeakPolarHBondContact O-CB 3.46Å; M700-A704 PolarHBondContact O-N 3.43Å; A704-N708 HydrophobicContact CB-CB 4.3Å; A704-N708 WeakPolarHBondContact O-CB 3.49Å; A704-N708 PolarHBondContact O-ND2 2.73Å; A704-L709 HydrophobicContact CB-CD1 3.66Å; A704-C808 HydrophobicContact CB-CB 4.24Å
705	G	97.1	Very high	97.2	Very high	19 Å²	19	32.4 Å²	32.4	20%	0.196	18%	0.176	C	C	.	.			trans	83.6	132.1	-162.7	0	0	0	0	0	111	A701 E707 N708	A701-G705 CarbonylContact O-C 3.6Å; A701-G705 VanDerWaalsContact O-CA 3.22Å; A701-G705 WeakPolarHBondContact O-CA 3.49Å; A701-G705 PolarHBondContact O-N 3.34Å; G705-E707 VanDerWaalsContact C-OE2 3.25Å; G705-E707 WeakPolarHBondContact CA-OE2 3.5Å; G705-E707 PolarHBondContact O-N 3.5Å; G705-N708 WeakPolarHBondContact O-CA 3.33Å; G705-N708 WeakPolarHBondContact O-CB 3.39Å; G705-N708 PolarHBondContact O-N 3.29Å
706	A	94	Very high	97.2	Very high	65 Å²	65	33.2 Å²	33.2	54%	0.537	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.5	-29.6	-175.1	0	0	0	0	0	112.7	A701 N708 L709	A701-A706 PolarHBondContact O-N 3.24Å; A706-N708 PolarHBondContact O-N 2.86Å; A706-L709 PolarHBondContact O-N 3.31Å
707	E	95.4	Very high	97.2	Very high	131 Å²	131	38.8 Å²	38.8	61%	0.612	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-66.3	-15.1	174.3	77.9	-71.5	173.4	0	0	113.3	G705 K801	G705-E707 VanDerWaalsContact C-OE2 3.25Å; G705-E707 WeakPolarHBondContact CA-OE2 3.5Å; G705-E707 PolarHBondContact O-N 3.5Å; E707-K801 WeakPolarHBondContact O-CE 3.43Å; E707-K801 PolarHBondContact O-NZ 2.84Å
708	N	97.7	Very high	97.2	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-98.7	3.7	177.7	-60.8	-58.8	0	0	0	113.7	A704 G705 A706 K801 R804 N805	A704-N708 HydrophobicContact CB-CB 4.3Å; A704-N708 WeakPolarHBondContact O-CB 3.49Å; A704-N708 PolarHBondContact O-ND2 2.73Å; G705-N708 WeakPolarHBondContact O-CA 3.33Å; G705-N708 WeakPolarHBondContact O-CB 3.39Å; G705-N708 PolarHBondContact O-N 3.29Å; A706-N708 PolarHBondContact O-N 2.86Å; N708-K801 VanDerWaalsContact CA-CE 3.42Å; N708-K801 HydrophobicContact CB-CG 4.02Å; N708-K801 WeakPolarHBondContact O-CE 3.23Å; N708-R804 WeakPolarHBondContact ND2-CD 3.36Å; N708-R804 WeakPolarHBondContact OD1-CD 3.37Å; N708-N805 PolarHBondContact O-ND2 3.01Å
709	L	97.9	Very high	97.1	Very high	6 Å²	6	42 Å²	42	3%	0.031	22%	0.224	C	C	.	.	S	Bend	trans	-115.8	177.5	165.4	-80.1	73.1	0	0	0	110.6	M700 A701 A704 A706 I711 K801	M700-L709 HydrophobicContact CB-CD2 4.16Å; A701-L709 HydrophobicContact CB-CD2 4.09Å; A704-L709 HydrophobicContact CB-CD1 3.66Å; A706-L709 PolarHBondContact O-N 3.31Å; L709-I711 HydrophobicContact CB-CD1 4.03Å; L709-I711 HydrophobicContact CB-CG1 4.12Å; L709-I711 HydrophobicContact CD2-CD1 4.08Å; L709-K801 PolarHBondContact O-NZ 3.13Å
710	F	98.8	Very high	96.9	Very high	10 Å²	10	47 Å²	47	4%	0.044	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	84.8	171.3	-67.8	-75.9	0	0	0	108.7	L663 L688 T689 I690 G691 Q787 V788 L791 W798	L663-F710 HydrophobicContact CD1-CD2 4.44Å; L688-F710 HydrophobicContact CB-CD2 4.44Å; L688-F710 HydrophobicContact CB-CE2 4.21Å; L688-F710 HydrophobicContact CD1-CE2 3.81Å; T689-F710 PolarHBondContact O-N 3.07Å; I690-F710 VanDerWaalsContact CA-O 3.3Å; I690-F710 WeakPolarHBondContact CA-O 3.16Å; I690-F710 HydrophobicContact CB-CB 4.02Å; I690-F710 HydrophobicContact CG1-CB 4.14Å; G691-F710 PolarHBondContact N-O 3.18Å; F710-Q787 HydrophobicContact CD1-CB 4.37Å; F710-Q787 HydrophobicContact CE1-CB 4.2Å; F710-V788 HydrophobicContact CB-CG2 4.23Å; F710-V788 HydrophobicContact CD1-CG2 3.81Å; F710-V788 HydrophobicContact CD2-CG2 3.74Å; F710-V788 HydrophobicContact CE1-CG2 3.99Å; F710-V788 HydrophobicContact CE2-CG2 3.91Å; F710-V788 HydrophobicContact CG-CG2 3.67Å; F710-V788 HydrophobicContact CZ-CB 4.41Å; F710-V788 HydrophobicContact CZ-CG2 4.02Å; F710-L791 HydrophobicContact CE2-CD2 4.37Å; F710-L791 HydrophobicContact CZ-CB 4.17Å; F710-L791 HydrophobicContact CZ-CD2 3.7Å; F710-W798 HydrophobicContact CE2-CZ3 4.3Å
711	I	98.4	Very high	96.9	Very high	51 Å²	51	49 Å²	49	26%	0.262	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.6	-176.9	-57.3	-58.4	0	0	0	110.4	G691 M693 L709	G691-I711 VanDerWaalsContact O-CA 3.32Å; G691-I711 WeakPolarHBondContact O-CA 3.14Å; M693-I711 HydrophobicContact CG-CG2 3.58Å; M693-I711 HydrophobicContact SD-CD1 4.2Å; M693-I711 HydrophobicContact SD-CG1 4.25Å; M693-I711 HydrophobicContact SD-CG2 3.82Å; L709-I711 HydrophobicContact CB-CD1 4.03Å; L709-I711 HydrophobicContact CB-CG1 4.12Å; L709-I711 HydrophobicContact CD2-CD1 4.08Å
712	F	98.6	Very high	96.9	Very high	13 Å²	13	49.6 Å²	49.6	6%	0.057	27%	0.266	C	S	.	.			trans	-147.9	172	176.6	75.9	-82.2	0	0	0	112.1	L579 I667 I690 G691 T692 D777 A780 Y781 C784	L579-F712 HydrophobicContact CD2-CE2 4.17Å; L579-F712 HydrophobicContact CD2-CZ 4.29Å; I667-F712 HydrophobicContact CB-CE1 4.45Å; I667-F712 HydrophobicContact CB-CZ 3.99Å; I667-F712 HydrophobicContact CG2-CE1 3.69Å; I667-F712 HydrophobicContact CG2-CZ 3.66Å; I690-F712 HydrophobicContact CD1-CD1 4.42Å; I690-F712 HydrophobicContact CD1-CE1 4.47Å; I690-F712 HydrophobicContact CG1-CD1 3.87Å; I690-F712 HydrophobicContact CG1-CE1 3.86Å; G691-F712 WeakPolarHBondContact O-CD1 3.26Å; G691-F712 PolarHBondContact O-N 3.09Å; G691-F712 VanDerWaalsContact O-N 3.13Å; T692-F712 HydrophobicContact CG2-CE2 4.33Å; T692-F712 HydrophobicContact CG2-CZ 4.2Å; F712-D777 HydrophobicContact CE2-CB 4.27Å; F712-A780 HydrophobicContact CB-CB 4.44Å; F712-A780 HydrophobicContact CD2-CB 4.37Å; F712-Y781 HydrophobicContact CD1-CD2 4.06Å; F712-Y781 HydrophobicContact CD2-CD2 4.16Å; F712-Y781 HydrophobicContact CD2-CG 4.42Å; F712-Y781 AromaticContact CE1-CD2 3.49Å; F712-Y781 HydrophobicContact CE1-CD2 3.49Å; F712-Y781 VanDerWaalsContact CE1-CD2 3.49Å; F712-Y781 AromaticContact CE1-CE2 3.99Å; F712-Y781 HydrophobicContact CE1-CE2 3.99Å; F712-Y781 VanDerWaalsContact CE2-CB 3.49Å; F712-Y781 AromaticContact CE2-CD2 3.62Å; F712-Y781 HydrophobicContact CE2-CD2 3.62Å; F712-Y781 AromaticContact CE2-CG 3.88Å; F712-Y781 HydrophobicContact CE2-CG 3.88Å; F712-Y781 HydrophobicContact CG-CD2 4.37Å; F712-Y781 AromaticContact CZ-CD2 3.24Å; F712-Y781 HydrophobicContact CZ-CD2 3.24Å; F712-Y781 AromaticContact CZ-CE2 3.92Å; F712-Y781 HydrophobicContact CZ-CE2 3.92Å; F712-Y781 AromaticContact CZ-CG 3.93Å; F712-Y781 HydrophobicContact CZ-CG 3.93Å; F712-C784 HydrophobicContact CB-CB 3.78Å; F712-C784 HydrophobicContact CD1-CB 4.42Å; F712-C784 HydrophobicContact CG-CB 4.26Å
713	G	97.9	Very high	96.7	Very high	29 Å²	29	49.3 Å²	49.3	30%	0.299	27%	0.268	S	S	.	.	S	Bend	trans	83.6	-177.4	167.2	0	0	0	0	0	114.7	D777	G713-D777 WeakPolarHBondContact CA-OD1 3.4Å
714	L	98.1	Very high	96.6	Very high	37 Å²	37	56.2 Å²	56.2	19%	0.194	29%	0.291	C	S	.	.			trans	-62.4	144	178.4	-61.1	176.3	0	0	0	111.4	A670 D718 V719 L722 A776 D777	A670-L714 WeakPolarHBondContact CB-O 3.42Å; L714-D718 HydrophobicContact CB-CB 3.98Å; L714-D718 HydrophobicContact CD2-CB 3.73Å; L714-D718 HydrophobicContact CG-CB 4.37Å; L714-V719 HydrophobicContact CB-CG2 3.93Å; L714-V719 HydrophobicContact CD1-CG2 4.19Å; L714-L722 HydrophobicContact CD1-CD2 4.06Å; L714-A776 HydrophobicContact CD1-CB 3.88Å; L714-D777 WeakPolarHBondContact CG-OD1 3.47Å; L714-D777 PolarHBondContact N-OD1 3.3Å
715	R	97.1	Very high	96.6	Very high	125 Å²	125	63.1 Å²	63.1	47%	0.472	32%	0.32	S	S	.	.			trans	-88.6	173.5	164.4	-61.6	177.8	172.4	-96.3	-2.4	110.4	E717 D718 V719	R715-E717 VanDerWaalsContact CB-OE2 3.29Å; R715-E717 WeakPolarHBondContact CB-OE2 3.44Å; R715-E717 PolarHBondContact O-N 2.97Å; R715-D718 WeakPolarHBondContact CB-OD2 3.46Å; R715-D718 PolarHBondContact N-OD2 2.61Å; R715-D718 PolarHBondContact O-N 3.23Å; R715-D718 VanDerWaalsContact O-N 3.13Å; R715-V719 WeakPolarHBondContact O-CG2 3.44Å; R715-V719 PolarHBondContact O-N 3.45Å
716	V	93.6	Very high	96.6	Very high	17 Å²	17	64.4 Å²	64.4	10%	0.103	33%	0.333	C	S	.	.	H	α-helix	trans	-55.5	-44.6	-179.5	177.3	0	0	0	0	110.7	I459 A670 D718 V719 E720	I459-V716 HydrophobicContact CD1-CG2 3.89Å; A670-V716 HydrophobicContact CB-CG2 4.13Å; V716-D718 VanDerWaalsContact C-N 3.3Å; V716-D718 PolarHBondContact O-N 2.94Å; V716-V719 WeakPolarHBondContact O-CB 3.16Å; V716-V719 PolarHBondContact O-N 3.25Å; V716-E720 WeakPolarHBondContact O-CG 3.38Å; V716-E720 PolarHBondContact O-N 3.45Å
717	E	95	Very high	96.8	Very high	117 Å²	117	63.7 Å²	63.7	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-34.4	-178.1	-54.1	78	-170.6	0	0	111.9	R715 A721	R715-E717 VanDerWaalsContact CB-OE2 3.29Å; R715-E717 WeakPolarHBondContact CB-OE2 3.44Å; R715-E717 PolarHBondContact O-N 2.97Å; E717-A721 WeakPolarHBondContact O-CB 3.43Å; E717-A721 PolarHBondContact O-N 3.46Å
718	D	97.7	Very high	96.9	Very high	76 Å²	76	61.6 Å²	61.6	41%	0.406	31%	0.31	S	S	.	.	H	α-helix	trans	-72.2	-36.6	176.8	-54.9	-51.1	0	0	0	111.4	L714 R715 V716 A721 L722	L714-D718 HydrophobicContact CB-CB 3.98Å; L714-D718 HydrophobicContact CD2-CB 3.73Å; L714-D718 HydrophobicContact CG-CB 4.37Å; R715-D718 WeakPolarHBondContact CB-OD2 3.46Å; R715-D718 PolarHBondContact N-OD2 2.61Å; R715-D718 PolarHBondContact O-N 3.23Å; R715-D718 VanDerWaalsContact O-N 3.13Å; V716-D718 VanDerWaalsContact C-N 3.3Å; V716-D718 PolarHBondContact O-N 2.94Å; D718-A721 PolarHBondContact O-N 2.92Å; D718-L722 WeakPolarHBondContact O-CB 3.46Å; D718-L722 PolarHBondContact O-N 2.65Å
719	V	96.6	Very high	96.9	Very high	14 Å²	14	61.4 Å²	61.4	9%	0.085	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-47.5	174	172.2	0	0	0	0	110.1	T669 A670 L714 R715 V716 A721 L722 D723 K773	T669-V719 HydrophobicContact CG2-CG2 4.13Å; A670-V719 HydrophobicContact CB-CG2 4.42Å; L714-V719 HydrophobicContact CB-CG2 3.93Å; L714-V719 HydrophobicContact CD1-CG2 4.19Å; R715-V719 WeakPolarHBondContact O-CG2 3.44Å; R715-V719 PolarHBondContact O-N 3.45Å; V716-V719 WeakPolarHBondContact O-CB 3.16Å; V716-V719 PolarHBondContact O-N 3.25Å; V719-A721 PolarHBondContact O-N 3.1Å; V719-L722 PolarHBondContact O-N 3Å; V719-D723 PolarHBondContact O-N 3.39Å; V719-K773 HydrophobicContact CG1-CD 4.01Å
720	E	93.7	Very high	96.9	Very high	107 Å²	107	66.6 Å²	66.6	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-38.2	177.1	-69.8	177.6	177	0	0	112.8	V716 L722 D723 R724	V716-E720 WeakPolarHBondContact O-CG 3.38Å; V716-E720 PolarHBondContact O-N 3.45Å; E720-L722 VanDerWaalsContact C-N 3.33Å; E720-D723 PolarHBondContact O-N 3.13Å; E720-R724 WeakPolarHBondContact O-CG 3.48Å; E720-R724 PolarHBondContact O-N 3.41Å; E720-R724 PolarHBondContact O-NE 2.96Å
721	A	96.9	Very high	96.9	Very high	42 Å²	42	70.1 Å²	70.1	35%	0.347	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-40.4	173.5	0	0	0	0	0	111.4	E717 D718 V719 R724 K725	E717-A721 WeakPolarHBondContact O-CB 3.43Å; E717-A721 PolarHBondContact O-N 3.46Å; D718-A721 PolarHBondContact O-N 2.92Å; V719-A721 PolarHBondContact O-N 3.1Å; A721-R724 PolarHBondContact O-N 2.95Å; A721-K725 WeakPolarHBondContact O-CB 3.4Å; A721-K725 PolarHBondContact O-N 3.46Å
722	L	97	Very high	96.9	Very high	21 Å²	21	69 Å²	69	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-36.8	177.2	-168.8	58.1	0	0	0	112.1	L714 D718 V719 E720 K725 G726 Y727 K773 A776	L714-L722 HydrophobicContact CD1-CD2 4.06Å; D718-L722 WeakPolarHBondContact O-CB 3.46Å; D718-L722 PolarHBondContact O-N 2.65Å; V719-L722 PolarHBondContact O-N 3Å; E720-L722 VanDerWaalsContact C-N 3.33Å; L722-K725 PolarHBondContact O-N 2.71Å; L722-G726 CarbonylContact O-C 3.55Å; L722-G726 PolarHBondContact O-N 3.34Å; L722-Y727 HydrophobicContact CD2-CD2 3.8Å; L722-Y727 HydrophobicContact CG-CD2 4.27Å; L722-Y727 PolarHBondContact O-N 3.46Å; L722-K773 HydrophobicContact CD2-CD 3.99Å; L722-K773 HydrophobicContact CD2-CG 4.37Å; L722-A776 HydrophobicContact CD2-CB 4Å
723	D	94.8	Very high	96.9	Very high	89 Å²	89	69.3 Å²	69.3	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-62.9	-43.9	173.2	-78.2	-35.6	0	0	0	111.8	V719 E720 K725 G726 K773	V719-D723 PolarHBondContact O-N 3.39Å; E720-D723 PolarHBondContact O-N 3.13Å; D723-K725 VanDerWaalsContact C-N 3.34Å; D723-K725 PolarHBondContact O-N 3.4Å; D723-G726 PolarHBondContact O-N 3.02Å; D723-K773 WeakPolarHBondContact OD1-CE 3.06Å; D723-K773 IonicContact OD1-NZ 3.49Å; D723-K773 PolarHBondContact OD1-NZ 3.21Å; D723-K773 IonicContact OD2-NZ 2.71Å; D723-K773 PolarHBondContact OD2-NZ 3.17Å
724	R	96.6	Very high	96.9	Very high	198 Å²	198	72.4 Å²	72.4	75%	0.747	35%	0.348	S	S	*	.	H	α-helix	trans	-64.5	-35.9	174.8	-74.1	-179.3	-71.4	157.3	-6.2	113.2	E720 A721 G726	E720-R724 WeakPolarHBondContact O-CG 3.48Å; E720-R724 PolarHBondContact O-N 3.41Å; E720-R724 PolarHBondContact O-NE 2.96Å; A721-R724 PolarHBondContact O-N 2.95Å; R724-G726 VanDerWaalsContact C-N 3.31Å
725	K	96.6	Very high	96.9	Very high	152 Å²	152	76.5 Å²	76.5	66%	0.661	36%	0.362	S	S	*	.	H	α-helix	trans	-70.9	-29	175.8	-173.8	-175.1	173.6	-162.9	0	112	A721 L722 D723 E731	A721-K725 WeakPolarHBondContact O-CB 3.4Å; A721-K725 PolarHBondContact O-N 3.46Å; L722-K725 PolarHBondContact O-N 2.71Å; D723-K725 VanDerWaalsContact C-N 3.34Å; D723-K725 PolarHBondContact O-N 3.4Å; K725-E731 IonicContact NZ-OE2 2.94Å
726	G	96.3	Very high	97	Very high	46 Å²	46	71.3 Å²	71.3	47%	0.474	34%	0.343	S	S	.	.			trans	89.3	104.6	-168.5	0	0	0	0	0	110.8	L722 D723 R724 N728	L722-G726 CarbonylContact O-C 3.55Å; L722-G726 PolarHBondContact O-N 3.34Å; D723-G726 PolarHBondContact O-N 3.02Å; R724-G726 VanDerWaalsContact C-N 3.31Å; G726-N728 PolarHBondContact O-N 3.49Å
727	Y	97.9	Very high	97.2	Very high	49 Å²	49	75.4 Å²	75.4	19%	0.192	37%	0.37	C	S	.	.			trans	-64.2	127.3	176.5	171.7	-120	0	0	0	111.1	L722 A729 Y732 D770 K773 A776	L722-Y727 HydrophobicContact CD2-CD2 3.8Å; L722-Y727 HydrophobicContact CG-CD2 4.27Å; L722-Y727 PolarHBondContact O-N 3.46Å; Y727-A729 HydrophobicContact CE1-CB 4.1Å; Y727-Y732 HydrophobicContact CD2-CE2 4.16Å; Y727-Y732 HydrophobicContact CE2-CD2 4.09Å; Y727-Y732 AromaticContact CE2-CE2 3.77Å; Y727-Y732 HydrophobicContact CE2-CE2 3.77Å; Y727-D770 HydrophobicContact CE1-CB 3.97Å; Y727-D770 WeakPolarHBondContact CE1-O 3.35Å; Y727-D770 PolarHBondContact OH-OD2 3.19Å; Y727-K773 HydrophobicContact CD1-CG 4.2Å; Y727-K773 HydrophobicContact CD2-CG 4.17Å; Y727-K773 HydrophobicContact CE1-CG 4.36Å; Y727-K773 HydrophobicContact CE2-CB 4.23Å; Y727-K773 HydrophobicContact CE2-CG 4.35Å; Y727-K773 HydrophobicContact CG-CG 4.08Å; Y727-A776 HydrophobicContact CE2-CB 4.19Å
728	N	97.6	Very high	97.4	Very high	88 Å²	88	71.9 Å²	71.9	47%	0.471	35%	0.353	S	S	.	.			trans	-125.6	100	175.3	-176.6	3.7	0	0	0	110.4	G726 R730 E731	G726-N728 PolarHBondContact O-N 3.49Å; N728-R730 PolarHBondContact O-N 3.19Å; N728-R730 VanDerWaalsContact O-N 3.15Å; N728-R730 WeakPolarHBondContact OD1-CB 3.4Å; N728-R730 PolarHBondContact OD1-N 3.34Å; N728-R730 VanDerWaalsContact OD1-N 3.09Å; N728-E731 WeakPolarHBondContact O-CB 3.34Å; N728-E731 PolarHBondContact O-N 3.05Å
729	A	98.1	Very high	97.4	Very high	3 Å²	3	68.2 Å²	68.2	3%	0.025	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-28.7	178.8	0	0	0	0	0	113	Y727 E731 Y732 Y733 L766 F775	Y727-A729 HydrophobicContact CE1-CB 4.1Å; A729-E731 VanDerWaalsContact C-N 3.28Å; A729-E731 PolarHBondContact O-N 2.87Å; A729-Y732 PolarHBondContact O-N 3.34Å; A729-Y733 PolarHBondContact O-N 3.03Å; A729-Y733 VanDerWaalsContact O-N 3.1Å; A729-L766 WeakPolarHBondContact CB-O 3.42Å; A729-F775 HydrophobicContact CB-CD2 3.78Å; A729-F775 HydrophobicContact CB-CE2 4.17Å
730	R	98	Very high	97.5	Very high	114 Å²	114	71 Å²	71	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-34.7	-179.5	-170.2	66.8	-165.9	-165.5	7.8	112.7	N728 Y732 Y733 D734	N728-R730 PolarHBondContact O-N 3.19Å; N728-R730 VanDerWaalsContact O-N 3.15Å; N728-R730 WeakPolarHBondContact OD1-CB 3.4Å; N728-R730 PolarHBondContact OD1-N 3.34Å; N728-R730 VanDerWaalsContact OD1-N 3.09Å; R730-Y732 VanDerWaalsContact C-N 3.34Å; R730-Y732 PolarHBondContact O-N 2.99Å; R730-Y733 PolarHBondContact O-N 3.42Å; R730-D734 WeakPolarHBondContact CG-OD2 3.36Å; R730-D734 IonicContact CZ-OD1 3.14Å; R730-D734 VanDerWaalsContact CZ-OD1 3.26Å; R730-D734 IonicContact CZ-OD2 2.71Å; R730-D734 VanDerWaalsContact NE-CG 3.33Å; R730-D734 IonicContact NE-OD1 2.86Å; R730-D734 PolarHBondContact NE-OD1 3.09Å; R730-D734 VanDerWaalsContact NE-OD1 3.07Å; R730-D734 IonicContact NE-OD2 3.5Å; R730-D734 PolarHBondContact NE-OD2 3.41Å; R730-D734 IonicContact NH2-OD1 3.4Å; R730-D734 PolarHBondContact NH2-OD1 2.7Å; R730-D734 IonicContact NH2-OD2 3.63Å; R730-D734 PolarHBondContact O-N 2.92Å
731	E	98	Very high	97.8	Very high	84 Å²	84	69.6 Å²	69.6	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-46.8	177.6	-173.6	-173.7	146.9	0	0	111.2	K725 N728 A729 R735	K725-E731 IonicContact NZ-OE2 2.94Å; N728-E731 WeakPolarHBondContact O-CB 3.34Å; N728-E731 PolarHBondContact O-N 3.05Å; A729-E731 VanDerWaalsContact C-N 3.28Å; A729-E731 PolarHBondContact O-N 2.87Å; E731-R735 WeakPolarHBondContact O-CB 3.29Å; E731-R735 PolarHBondContact O-N 2.84Å; E731-R735 VanDerWaalsContact O-N 3.13Å
732	Y	98.6	Very high	97.9	Very high	29 Å²	29	67.6 Å²	67.6	11%	0.114	32%	0.322	C	S	.	.	H	α-helix	trans	-69.8	-42.6	179.2	-62.1	-87.2	0	0	0	111.7	Y727 A729 R730 R735 L736 F775 A776	Y727-Y732 HydrophobicContact CD2-CE2 4.16Å; Y727-Y732 HydrophobicContact CE2-CD2 4.09Å; Y727-Y732 AromaticContact CE2-CE2 3.77Å; Y727-Y732 HydrophobicContact CE2-CE2 3.77Å; A729-Y732 PolarHBondContact O-N 3.34Å; R730-Y732 VanDerWaalsContact C-N 3.34Å; R730-Y732 PolarHBondContact O-N 2.99Å; Y732-R735 PolarHBondContact O-N 3.13Å; Y732-L736 VanDerWaalsContact O-CB 3.29Å; Y732-L736 WeakPolarHBondContact O-CB 3.36Å; Y732-L736 WeakPolarHBondContact O-CG 3.33Å; Y732-L736 PolarHBondContact O-N 3.15Å; Y732-F775 HydrophobicContact CD2-CB 4.39Å; Y732-F775 HydrophobicContact CG-CB 4.12Å; Y732-A776 HydrophobicContact CE1-CB 4.15Å; Y732-A776 HydrophobicContact CE2-CB 4.22Å
733	Y	98.6	Very high	97.9	Very high	19 Å²	19	66.7 Å²	66.7	8%	0.075	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-46.4	177.7	173.7	-86.5	0	0	0	111.9	A729 R730 K740 V743 D744 M767	A729-Y733 PolarHBondContact O-N 3.03Å; A729-Y733 VanDerWaalsContact O-N 3.1Å; R730-Y733 PolarHBondContact O-N 3.42Å; Y733-K740 HydrophobicContact CD1-CD 4.43Å; Y733-K740 HydrophobicContact CD2-CB 4.42Å; Y733-K740 HydrophobicContact CE1-CD 3.85Å; Y733-K740 HydrophobicContact CE1-CG 4.12Å; Y733-K740 HydrophobicContact CE2-CB 4.27Å; Y733-K740 HydrophobicContact CE2-CG 3.95Å; Y733-K740 WeakPolarHBondContact O-CB 3.39Å; Y733-K740 PolarHBondContact OH-NZ 2.93Å; Y733-V743 HydrophobicContact CD2-CB 4.1Å; Y733-V743 HydrophobicContact CD2-CG1 4.05Å; Y733-V743 HydrophobicContact CD2-CG2 4.42Å; Y733-V743 HydrophobicContact CE2-CB 3.92Å; Y733-V743 HydrophobicContact CE2-CG1 3.79Å; Y733-D744 PolarHBondContact OH-OD1 2.71Å; Y733-M767 HydrophobicContact CD1-CE 4.32Å; Y733-M767 HydrophobicContact CD2-CE 4.35Å; Y733-M767 HydrophobicContact CD2-SD 3.96Å; Y733-M767 HydrophobicContact CG-CE 4.06Å; Y733-M767 HydrophobicContact CG-SD 4.15Å
734	D	98.2	Very high	98.1	Very high	93 Å²	93	65.1 Å²	65.1	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-73.1	-31	-179	-70.7	-32.1	0	0	0	112.1	R730	R730-D734 WeakPolarHBondContact CG-OD2 3.36Å; R730-D734 IonicContact CZ-OD1 3.14Å; R730-D734 VanDerWaalsContact CZ-OD1 3.26Å; R730-D734 IonicContact CZ-OD2 2.71Å; R730-D734 VanDerWaalsContact NE-CG 3.33Å; R730-D734 IonicContact NE-OD1 2.86Å; R730-D734 PolarHBondContact NE-OD1 3.09Å; R730-D734 VanDerWaalsContact NE-OD1 3.07Å; R730-D734 IonicContact NE-OD2 3.5Å; R730-D734 PolarHBondContact NE-OD2 3.41Å; R730-D734 IonicContact NH2-OD1 3.4Å; R730-D734 PolarHBondContact NH2-OD1 2.7Å; R730-D734 IonicContact NH2-OD2 3.63Å; R730-D734 PolarHBondContact O-N 2.92Å
735	R	98.3	Very high	98.2	Very high	124 Å²	124	56.8 Å²	56.8	47%	0.468	28%	0.278	S	S	.	.	H	α-helix	trans	-79.4	-32.9	-178.6	-170.5	-177.1	81.1	-163.4	8.2	114.1	E731 Y732 P737 E779	E731-R735 WeakPolarHBondContact O-CB 3.29Å; E731-R735 PolarHBondContact O-N 2.84Å; E731-R735 VanDerWaalsContact O-N 3.13Å; Y732-R735 PolarHBondContact O-N 3.13Å; R735-P737 WeakPolarHBondContact O-CD 3.34Å; R735-E779 IonicContact NH2-OE2 3.65Å; R735-E779 PolarHBondContact NH2-OE2 3.41Å
736	L	98.6	Very high	98.3	Very high	15 Å²	15	49.7 Å²	49.7	8%	0.079	25%	0.248	C	C	.	.			trans	-108.7	100.6	-167.8	-62.2	174.7	0	0	0	111.6	Y732 E738 L739 K740 Y778 E779	Y732-L736 VanDerWaalsContact O-CB 3.29Å; Y732-L736 WeakPolarHBondContact O-CB 3.36Å; Y732-L736 WeakPolarHBondContact O-CG 3.33Å; Y732-L736 PolarHBondContact O-N 3.15Å; L736-E738 PolarHBondContact O-N 3.22Å; L736-L739 HydrophobicContact CB-CB 3.77Å; L736-L739 HydrophobicContact CB-CD2 4.36Å; L736-L739 HydrophobicContact CD1-CD2 4.09Å; L736-L739 WeakPolarHBondContact O-CB 3.31Å; L736-L739 PolarHBondContact O-N 2.88Å; L736-L739 VanDerWaalsContact O-N 3.15Å; L736-K740 PolarHBondContact O-N 2.96Å; L736-Y778 HydrophobicContact CD1-CD1 4.1Å; L736-E779 HydrophobicContact CD1-CB 4.15Å; L736-E779 HydrophobicContact CD2-CB 4.45Å; L736-E779 HydrophobicContact CD2-CG 4.46Å
737	P	98.6	Very high	98.3	Very high	104 Å²	104	50.4 Å²	50.4	68%	0.675	25%	0.245	S	C	*	.	H	α-helix	trans	-62.5	-38.2	-172.2	-25.3	35.4	0	0	0	114.6	R735 K740 Q741	R735-P737 WeakPolarHBondContact O-CD 3.34Å; P737-K740 PolarHBondContact O-N 3.24Å; P737-Q741 WeakPolarHBondContact O-CB 3.19Å; P737-Q741 PolarHBondContact O-N 3.23Å
738	E	98.5	Very high	98.3	Very high	42 Å²	42	52 Å²	52	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-71.1	-33.4	178.5	-68.6	-170	146.8	0	0	112	T586 R590 R593 L736 A742	T586-E738 HydrophobicContact CG2-CB 4.4Å; R590-E738 IonicContact CZ-OE1 2.68Å; R590-E738 IonicContact CZ-OE2 3.17Å; R590-E738 VanDerWaalsContact CZ-OE2 3.27Å; R590-E738 IonicContact NE-OE1 3.01Å; R590-E738 PolarHBondContact NE-OE1 3.12Å; R590-E738 IonicContact NE-OE2 2.78Å; R590-E738 PolarHBondContact NE-OE2 2.6Å; R590-E738 VanDerWaalsContact NE-OE2 3.12Å; R590-E738 IonicContact NH2-OE1 3.06Å; R590-E738 IonicContact NH2-OE2 3.38Å; R590-E738 PolarHBondContact NH2-OE2 2.96Å; R593-E738 IonicContact CZ-OE1 2.78Å; R593-E738 IonicContact NH1-OE1 3.95Å; R593-E738 PolarHBondContact NH1-OE1 3.35Å; R593-E738 IonicContact NH2-OE1 2.9Å; R593-E738 PolarHBondContact NH2-OE1 3.3Å; L736-E738 PolarHBondContact O-N 3.22Å; E738-A742 PolarHBondContact O-N 2.83Å; E738-A742 VanDerWaalsContact O-N 3.13Å
739	L	98.8	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-49.6	172.4	175.8	61.2	0	0	0	110.2	L582 L736 Q741 A742 V743 F775 Y778	L582-L739 HydrophobicContact CD1-CD1 3.96Å; L582-L739 HydrophobicContact CD2-CD1 4.47Å; L736-L739 HydrophobicContact CB-CB 3.77Å; L736-L739 HydrophobicContact CB-CD2 4.36Å; L736-L739 HydrophobicContact CD1-CD2 4.09Å; L736-L739 WeakPolarHBondContact O-CB 3.31Å; L736-L739 PolarHBondContact O-N 2.88Å; L736-L739 VanDerWaalsContact O-N 3.15Å; L739-Q741 VanDerWaalsContact C-N 3.3Å; L739-Q741 PolarHBondContact O-N 2.68Å; L739-A742 PolarHBondContact O-N 3.48Å; L739-A742 VanDerWaalsContact O-N 3.12Å; L739-V743 HydrophobicContact CD1-CG2 4.04Å; L739-V743 HydrophobicContact CG-CG2 4.41Å; L739-V743 WeakPolarHBondContact O-CG2 3.3Å; L739-V743 PolarHBondContact O-N 3.17Å; L739-F775 HydrophobicContact CD1-CD1 3.79Å; L739-F775 HydrophobicContact CD1-CE1 3.86Å; L739-F775 HydrophobicContact CD1-CG 4.42Å; L739-F775 HydrophobicContact CD2-CB 3.95Å; L739-F775 HydrophobicContact CD2-CD1 4.03Å; L739-F775 HydrophobicContact CD2-CD2 4.13Å; L739-F775 HydrophobicContact CD2-CG 3.79Å; L739-F775 HydrophobicContact CG-CD1 4.43Å; L739-Y778 HydrophobicContact CB-CD1 3.83Å; L739-Y778 HydrophobicContact CB-CE1 3.65Å; L739-Y778 HydrophobicContact CB-CG 4.41Å; L739-Y778 HydrophobicContact CD1-CD1 4.19Å; L739-Y778 HydrophobicContact CD1-CD2 3.9Å; L739-Y778 HydrophobicContact CD1-CE1 4.47Å; L739-Y778 HydrophobicContact CD1-CE2 4.18Å; L739-Y778 HydrophobicContact CD1-CG 3.9Å; L739-Y778 HydrophobicContact CD2-CD1 4.32Å; L739-Y778 HydrophobicContact CD2-CG 4.48Å; L739-Y778 HydrophobicContact CG-CD1 4.34Å; L739-Y778 HydrophobicContact CG-CG 4.49Å
740	K	98.8	Very high	98.2	Very high	72 Å²	72	51.6 Å²	51.6	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-53.3	-48.4	176.5	174.9	158.6	169.6	40.7	0	111.6	Y733 L736 P737 A742 V743 D744	Y733-K740 HydrophobicContact CD1-CD 4.43Å; Y733-K740 HydrophobicContact CD2-CB 4.42Å; Y733-K740 HydrophobicContact CE1-CD 3.85Å; Y733-K740 HydrophobicContact CE1-CG 4.12Å; Y733-K740 HydrophobicContact CE2-CB 4.27Å; Y733-K740 HydrophobicContact CE2-CG 3.95Å; Y733-K740 WeakPolarHBondContact O-CB 3.39Å; Y733-K740 PolarHBondContact OH-NZ 2.93Å; L736-K740 PolarHBondContact O-N 2.96Å; P737-K740 PolarHBondContact O-N 3.24Å; K740-A742 PolarHBondContact O-N 2.82Å; K740-V743 PolarHBondContact O-N 2.71Å; K740-D744 WeakPolarHBondContact CG-OD2 3.44Å; K740-D744 IonicContact NZ-OD1 3.41Å; K740-D744 IonicContact NZ-OD2 3.99Å; K740-D744 PolarHBondContact NZ-OD2 2.91Å; K740-D744 VanDerWaalsContact O-CB 3.32Å; K740-D744 WeakPolarHBondContact O-CB 3.48Å; K740-D744 PolarHBondContact O-N 2.94Å
741	Q	98.8	Very high	98.2	Very high	77 Å²	77	46.4 Å²	46.4	36%	0.36	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-46	177.3	-176.1	-178.9	11.5	0	0	112.2	P737 L739 D744 Q745	P737-Q741 WeakPolarHBondContact O-CB 3.19Å; P737-Q741 PolarHBondContact O-N 3.23Å; L739-Q741 VanDerWaalsContact C-N 3.3Å; L739-Q741 PolarHBondContact O-N 2.68Å; Q741-D744 PolarHBondContact O-N 3.38Å; Q741-Q745 WeakPolarHBondContact O-CG 3.36Å; Q741-Q745 PolarHBondContact O-N 2.9Å; Q741-Q745 PolarHBondContact O-OE1 3.04Å
742	A	98.6	Very high	98.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-43.8	179.8	0	0	0	0	0	112	L582 I585 E738 L739 K740 Q745 I746	L582-A742 HydrophobicContact CD2-CB 4.07Å; I585-A742 HydrophobicContact CB-CB 4.14Å; I585-A742 HydrophobicContact CG2-CB 3.6Å; E738-A742 PolarHBondContact O-N 2.83Å; E738-A742 VanDerWaalsContact O-N 3.13Å; L739-A742 PolarHBondContact O-N 3.48Å; L739-A742 VanDerWaalsContact O-N 3.12Å; K740-A742 PolarHBondContact O-N 2.82Å; A742-Q745 PolarHBondContact O-N 3.18Å; A742-I746 WeakPolarHBondContact O-CG1 3.21Å; A742-I746 PolarHBondContact O-N 3.17Å
743	V	98.6	Very high	98	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-66.7	-41.6	178	176.1	0	0	0	0	111.2	L582 Y733 L739 K740 Q745 I746 S747 V763 F775	L582-V743 HydrophobicContact CD2-CG2 4.3Å; Y733-V743 HydrophobicContact CD2-CB 4.1Å; Y733-V743 HydrophobicContact CD2-CG1 4.05Å; Y733-V743 HydrophobicContact CD2-CG2 4.42Å; Y733-V743 HydrophobicContact CE2-CB 3.92Å; Y733-V743 HydrophobicContact CE2-CG1 3.79Å; L739-V743 HydrophobicContact CD1-CG2 4.04Å; L739-V743 HydrophobicContact CG-CG2 4.41Å; L739-V743 WeakPolarHBondContact O-CG2 3.3Å; L739-V743 PolarHBondContact O-N 3.17Å; K740-V743 PolarHBondContact O-N 2.71Å; V743-Q745 VanDerWaalsContact C-N 3.32Å; V743-Q745 PolarHBondContact O-N 3.31Å; V743-I746 PolarHBondContact O-N 3.07Å; V743-S747 PolarHBondContact O-N 3.3Å; V743-V763 HydrophobicContact CG1-CG1 4.1Å; V743-F775 HydrophobicContact CG2-CE1 3.89Å; V743-F775 HydrophobicContact CG2-CE2 4.46Å; V743-F775 HydrophobicContact CG2-CZ 3.54Å
744	D	98.6	Very high	97.9	Very high	55 Å²	55	55 Å²	55	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-36.7	177.5	-70.8	-11.3	0	0	0	112	Y733 K740 Q741 S747 S748	Y733-D744 PolarHBondContact OH-OD1 2.71Å; K740-D744 WeakPolarHBondContact CG-OD2 3.44Å; K740-D744 IonicContact NZ-OD1 3.41Å; K740-D744 IonicContact NZ-OD2 3.99Å; K740-D744 PolarHBondContact NZ-OD2 2.91Å; K740-D744 VanDerWaalsContact O-CB 3.32Å; K740-D744 WeakPolarHBondContact O-CB 3.48Å; K740-D744 PolarHBondContact O-N 2.94Å; Q741-D744 PolarHBondContact O-N 3.38Å; D744-S747 PolarHBondContact O-N 3.09Å; D744-S748 VanDerWaalsContact O-CB 3.23Å; D744-S748 WeakPolarHBondContact O-CB 3.22Å; D744-S748 PolarHBondContact O-N 3.39Å; D744-S748 PolarHBondContact O-OG 3.46Å
745	Q	98.6	Very high	97.8	Very high	24 Å²	24	56.3 Å²	56.3	11%	0.112	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-40.6	174.3	-76.9	171.6	-39	0	0	112.2	I585 N589 Q741 A742 V743 S747 S748 F750 F751	I585-Q745 VanDerWaalsContact CG2-OE1 3.3Å; N589-Q745 PolarHBondContact ND2-OE1 2.89Å; N589-Q745 PolarHBondContact OD1-NE2 2.9Å; N589-Q745 PolarHBondContact OD1-OE1 3.33Å; Q741-Q745 WeakPolarHBondContact O-CG 3.36Å; Q741-Q745 PolarHBondContact O-N 2.9Å; Q741-Q745 PolarHBondContact O-OE1 3.04Å; A742-Q745 PolarHBondContact O-N 3.18Å; V743-Q745 VanDerWaalsContact C-N 3.32Å; V743-Q745 PolarHBondContact O-N 3.31Å; Q745-S747 VanDerWaalsContact C-N 3.32Å; Q745-S748 WeakPolarHBondContact CA-OG 3.19Å; Q745-S748 PolarHBondContact O-OG 3.08Å; Q745-F750 HydrophobicContact CB-CB 3.98Å; Q745-F750 HydrophobicContact CB-CD1 4.29Å; Q745-F750 HydrophobicContact CB-CG 4.28Å; Q745-F750 HydrophobicContact CG-CB 4.31Å; Q745-F750 HydrophobicContact CG-CD1 4.38Å; Q745-F750 HydrophobicContact CG-CG 4.25Å; Q745-F750 VanDerWaalsContact O-CB 3.23Å; Q745-F750 WeakPolarHBondContact O-CB 3.46Å; Q745-F750 PolarHBondContact O-N 2.93Å; Q745-F750 VanDerWaalsContact O-N 3.14Å; Q745-F751 HydrophobicContact CB-CD2 4.4Å; Q745-F751 HydrophobicContact CB-CE2 3.8Å
746	I	98.2	Very high	97.6	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-43.6	173.6	-62.8	167.3	0	0	0	109.9	L582 I585 L623 A742 V743 F751 F759 V763	L582-I746 HydrophobicContact CD2-CD1 4.08Å; I585-I746 HydrophobicContact CD1-CD1 3.81Å; I585-I746 HydrophobicContact CD1-CG1 3.93Å; L623-I746 HydrophobicContact CD1-CG1 4.35Å; L623-I746 HydrophobicContact CD1-CG2 4.38Å; L623-I746 HydrophobicContact CD2-CD1 4.35Å; A742-I746 WeakPolarHBondContact O-CG1 3.21Å; A742-I746 PolarHBondContact O-N 3.17Å; V743-I746 PolarHBondContact O-N 3.07Å; I746-F751 HydrophobicContact CG1-CD2 4.14Å; I746-F751 HydrophobicContact CG1-CE2 4.33Å; I746-F759 HydrophobicContact CG2-CB 3.48Å; I746-F759 VanDerWaalsContact CG2-CB 3.48Å; I746-F759 HydrophobicContact CG2-CD2 4.33Å; I746-F759 HydrophobicContact CG2-CG 4.11Å; I746-V763 HydrophobicContact CB-CG2 4.2Å; I746-V763 HydrophobicContact CG2-CG2 3.68Å
747	S	97.3	Very high	97.5	Very high	61 Å²	61	58.3 Å²	58.3	43%	0.427	31%	0.314	S	S	.	.	H	α-helix	trans	-71.5	-31.6	-177.6	-173	0	0	0	0	114.5	V743 D744 Q745 G749	V743-S747 PolarHBondContact O-N 3.3Å; D744-S747 PolarHBondContact O-N 3.09Å; Q745-S747 VanDerWaalsContact C-N 3.32Å; S747-G749 VanDerWaalsContact C-N 3.29Å; S747-G749 PolarHBondContact O-N 3.22Å
748	S	96.9	Very high	97.4	Very high	82 Å²	82	54.3 Å²	54.3	57%	0.573	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.6	-174.4	54.3	0	0	0	0	113.9	D744 Q745	D744-S748 VanDerWaalsContact O-CB 3.23Å; D744-S748 WeakPolarHBondContact O-CB 3.22Å; D744-S748 PolarHBondContact O-N 3.39Å; D744-S748 PolarHBondContact O-OG 3.46Å; Q745-S748 WeakPolarHBondContact CA-OG 3.19Å; Q745-S748 PolarHBondContact O-OG 3.08Å
749	G	96.1	Very high	97.4	Very high	4 Å²	4	52.3 Å²	52.3	4%	0.041	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	14.2	-176	0	0	0	0	0	114.6	S747 F751 S752 P753 P756	S747-G749 VanDerWaalsContact C-N 3.29Å; S747-G749 PolarHBondContact O-N 3.22Å; G749-F751 PolarHBondContact O-N 3.43Å; G749-S752 CarbonylContact O-C 3.6Å; G749-S752 PolarHBondContact O-N 2.8Å; G749-P753 WeakPolarHBondContact O-CA 3.43Å; G749-P753 VanDerWaalsContact O-N 3.1Å; G749-P756 WeakPolarHBondContact CA-O 3.4Å
750	F	98.3	Very high	97.3	Very high	78 Å²	78	58.4 Å²	58.4	34%	0.342	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.2	178.3	-178.6	-95.5	0	0	0	112.2	Y588 V630 Q745	Y588-F750 AromaticContact CE1-CE1 3.79Å; Y588-F750 HydrophobicContact CE1-CE1 3.79Å; Y588-F750 AromaticContact CE1-CZ 3.88Å; Y588-F750 HydrophobicContact CE1-CZ 3.88Å; V630-F750 HydrophobicContact CG1-CE1 3.88Å; V630-F750 HydrophobicContact CG1-CZ 4.26Å; Q745-F750 HydrophobicContact CB-CB 3.98Å; Q745-F750 HydrophobicContact CB-CD1 4.29Å; Q745-F750 HydrophobicContact CB-CG 4.28Å; Q745-F750 HydrophobicContact CG-CB 4.31Å; Q745-F750 HydrophobicContact CG-CD1 4.38Å; Q745-F750 HydrophobicContact CG-CG 4.25Å; Q745-F750 VanDerWaalsContact O-CB 3.23Å; Q745-F750 WeakPolarHBondContact O-CB 3.46Å; Q745-F750 PolarHBondContact O-N 2.93Å; Q745-F750 VanDerWaalsContact O-N 3.14Å
751	F	98.1	Very high	97.3	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.022	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	1.6	176.4	-60.9	-70.5	0	0	0	113.8	I585 S626 I627 V630 Q745 I746 G749 F759	I585-F751 HydrophobicContact CB-CZ 4.44Å; I585-F751 HydrophobicContact CD1-CD2 4.44Å; I585-F751 HydrophobicContact CD1-CE2 3.68Å; I585-F751 HydrophobicContact CD1-CZ 4.02Å; I585-F751 HydrophobicContact CG1-CE2 3.9Å; I585-F751 HydrophobicContact CG1-CZ 3.69Å; I585-F751 HydrophobicContact CG2-CE2 4.19Å; I585-F751 HydrophobicContact CG2-CZ 4.01Å; S626-F751 VanDerWaalsContact CB-O 3.23Å; S626-F751 WeakPolarHBondContact CB-O 3.4Å; S626-F751 PolarHBondContact OG-O 3.37Å; I627-F751 HydrophobicContact CB-CD1 4.48Å; I627-F751 HydrophobicContact CG1-CD1 4.05Å; I627-F751 HydrophobicContact CG1-CE1 4.18Å; I627-F751 HydrophobicContact CG1-CG 4.28Å; V630-F751 HydrophobicContact CB-CD1 4.09Å; V630-F751 HydrophobicContact CB-CE1 4.22Å; V630-F751 HydrophobicContact CG1-CE1 4.35Å; V630-F751 HydrophobicContact CG2-CD1 3.84Å; V630-F751 HydrophobicContact CG2-CE1 4.42Å; Q745-F751 HydrophobicContact CB-CD2 4.4Å; Q745-F751 HydrophobicContact CB-CE2 3.8Å; I746-F751 HydrophobicContact CG1-CD2 4.14Å; I746-F751 HydrophobicContact CG1-CE2 4.33Å; G749-F751 PolarHBondContact O-N 3.43Å; F751-F759 HydrophobicContact CB-CE2 4.22Å
752	S	96.9	Very high	97.3	Very high	10 Å²	10	54.2 Å²	54.2	7%	0.07	29%	0.289	C	S	.	.			trans	-145	61.8	176.8	57	0	0	0	0	111.8	G749 K754 E755	G749-S752 CarbonylContact O-C 3.6Å; G749-S752 PolarHBondContact O-N 2.8Å; S752-K754 PolarHBondContact O-N 2.83Å; S752-E755 VanDerWaalsContact CB-O 3.26Å; S752-E755 WeakPolarHBondContact CB-O 3.49Å; S752-E755 CarbonylContact O-C 3.47Å; S752-E755 PolarHBondContact O-N 2.85Å; S752-E755 VanDerWaalsContact O-O 3.05Å; S752-E755 PolarHBondContact OG-O 3.3Å
753	P	95.8	Very high	97.3	Very high	102 Å²	102	55.1 Å²	55.1	66%	0.662	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.8	-169.1	-25.1	34.9	0	0	0	115	G749	G749-P753 WeakPolarHBondContact O-CA 3.43Å; G749-P753 VanDerWaalsContact O-N 3.1Å
754	K	95.4	Very high	97.3	Very high	201 Å²	201	58.7 Å²	58.7	87%	0.874	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-23.2	177.3	-63.4	-177.1	-179.3	178.4	0	113.1	S752	S752-K754 PolarHBondContact O-N 2.83Å
755	E	95.3	Very high	97.2	Very high	120 Å²	120	56.8 Å²	56.8	56%	0.561	30%	0.303	S	S	*	.	S	Bend	trans	-138.6	75.5	-177.5	-67.9	174.6	-123.1	0	0	108.4	S752 D757 C758	S752-E755 VanDerWaalsContact CB-O 3.26Å; S752-E755 WeakPolarHBondContact CB-O 3.49Å; S752-E755 CarbonylContact O-C 3.47Å; S752-E755 PolarHBondContact O-N 2.85Å; S752-E755 VanDerWaalsContact O-O 3.05Å; S752-E755 PolarHBondContact OG-O 3.3Å; E755-D757 PolarHBondContact O-N 2.83Å; E755-D757 VanDerWaalsContact O-N 3.08Å; E755-C758 HydrophobicContact CB-CB 4.01Å; E755-C758 WeakPolarHBondContact O-CB 3.21Å; E755-C758 PolarHBondContact O-N 3.42Å
756	P	95.4	Very high	97.2	Very high	63 Å²	63	55.7 Å²	55.7	41%	0.409	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.8	-171.7	-28.8	36.8	0	0	0	114.2	G749	G749-P756 WeakPolarHBondContact CA-O 3.4Å
757	D	96.1	Very high	97.2	Very high	118 Å²	118	56.6 Å²	56.6	63%	0.631	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	4.1	-179.9	-66.4	-36.3	0	0	0	114.3	E755 F759 K760	E755-D757 PolarHBondContact O-N 2.83Å; E755-D757 VanDerWaalsContact O-N 3.08Å; D757-F759 PolarHBondContact O-N 2.71Å; D757-K760 HydrophobicContact CB-CD 4.33Å; D757-K760 WeakPolarHBondContact O-CB 3.47Å; D757-K760 WeakPolarHBondContact O-CG 3.34Å; D757-K760 PolarHBondContact O-N 2.91Å; D757-K760 VanDerWaalsContact O-N 3.08Å
758	C	96.1	Very high	97.2	Very high	20 Å²	20	59.7 Å²	59.7	14%	0.135	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.5	-175.9	-178.8	0	0	0	0	113.2	E755	E755-C758 HydrophobicContact CB-CB 4.01Å; E755-C758 WeakPolarHBondContact O-CB 3.21Å; E755-C758 PolarHBondContact O-N 3.42Å
759	F	98.4	Very high	97.2	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	14.5	-175.8	-58.3	-59.6	0	0	0	114	K622 L623 I746 F751 D757 D761 V762 V763	K622-F759 HydrophobicContact CB-CE1 4.3Å; K622-F759 HydrophobicContact CG-CE1 3.9Å; K622-F759 HydrophobicContact CG-CZ 4.04Å; L623-F759 HydrophobicContact CB-CD1 4.11Å; L623-F759 HydrophobicContact CB-CE1 3.66Å; L623-F759 HydrophobicContact CB-CZ 4.12Å; L623-F759 HydrophobicContact CD1-CD1 4.13Å; L623-F759 HydrophobicContact CD1-CD2 4.01Å; L623-F759 HydrophobicContact CD1-CE1 4.02Å; L623-F759 HydrophobicContact CD1-CE2 3.88Å; L623-F759 HydrophobicContact CD1-CG 4.13Å; L623-F759 HydrophobicContact CD1-CZ 3.89Å; L623-F759 HydrophobicContact CG-CE1 4.43Å; I746-F759 HydrophobicContact CG2-CB 3.48Å; I746-F759 VanDerWaalsContact CG2-CB 3.48Å; I746-F759 HydrophobicContact CG2-CD2 4.33Å; I746-F759 HydrophobicContact CG2-CG 4.11Å; F751-F759 HydrophobicContact CB-CE2 4.22Å; D757-F759 PolarHBondContact O-N 2.71Å; F759-D761 PolarHBondContact O-N 2.88Å; F759-V762 HydrophobicContact CD1-CG2 4.43Å; F759-V762 WeakPolarHBondContact O-CB 3.27Å; F759-V762 PolarHBondContact O-N 2.82Å; F759-V762 VanDerWaalsContact O-N 3.1Å; F759-V763 PolarHBondContact O-N 2.88Å
760	K	97.8	Very high	97.3	Very high	128 Å²	128	62 Å²	62	56%	0.557	31%	0.311	S	S	*	.	H	α-helix	trans	-55.6	-38.5	178.4	74.1	-178.3	178.3	179	0	112.3	D757 V762 V763 N764	D757-K760 HydrophobicContact CB-CD 4.33Å; D757-K760 WeakPolarHBondContact O-CB 3.47Å; D757-K760 WeakPolarHBondContact O-CG 3.34Å; D757-K760 PolarHBondContact O-N 2.91Å; D757-K760 VanDerWaalsContact O-N 3.08Å; K760-V762 VanDerWaalsContact C-N 3.35Å; K760-V762 PolarHBondContact O-N 3.46Å; K760-V763 PolarHBondContact O-N 3.14Å; K760-N764 VanDerWaalsContact O-CB 3.23Å; K760-N764 WeakPolarHBondContact O-CB 3.47Å; K760-N764 PolarHBondContact O-N 3.49Å
761	D	98.1	Very high	97.2	Very high	61 Å²	61	64.8 Å²	64.8	33%	0.326	32%	0.319	S	S	.	.	H	α-helix	trans	-67.6	-38	-178.8	-66.4	-8.4	0	0	0	111	H615 M616 L619 F759 M765	H615-D761 IonicContact CD2-OD2 3.49Å; H615-D761 IonicContact NE2-OD2 3.56Å; H615-D761 PolarHBondContact NE2-OD2 2.63Å; M616-D761 HydrophobicContact CE-CB 4.47Å; L619-D761 HydrophobicContact CD1-CB 3.8Å; F759-D761 PolarHBondContact O-N 2.88Å; D761-M765 WeakPolarHBondContact O-CB 3.38Å; D761-M765 PolarHBondContact O-N 3.06Å
762	V	98.3	Very high	97.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-47.2	175.9	176.7	0	0	0	0	110.1	L578 M616 L619 L623 F759 K760 M765 L766	L578-V762 HydrophobicContact CD1-CG1 4.25Å; L578-V762 HydrophobicContact CD2-CG1 3.74Å; M616-V762 HydrophobicContact SD-CG2 3.94Å; L619-V762 HydrophobicContact CB-CG2 3.95Å; L619-V762 HydrophobicContact CD1-CG2 4.32Å; L623-V762 HydrophobicContact CD2-CG1 4.29Å; F759-V762 HydrophobicContact CD1-CG2 4.43Å; F759-V762 WeakPolarHBondContact O-CB 3.27Å; F759-V762 PolarHBondContact O-N 2.82Å; F759-V762 VanDerWaalsContact O-N 3.1Å; K760-V762 VanDerWaalsContact C-N 3.35Å; K760-V762 PolarHBondContact O-N 3.46Å; V762-M765 PolarHBondContact O-N 2.84Å; V762-L766 HydrophobicContact CG1-CD1 4Å; V762-L766 WeakPolarHBondContact O-CB 3.48Å; V762-L766 WeakPolarHBondContact O-CG 3.47Å; V762-L766 PolarHBondContact O-N 3.37Å
763	V	98.3	Very high	97.2	Very high	19 Å²	19	64.7 Å²	64.7	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-44.7	178.4	176.9	0	0	0	0	110.6	V743 I746 F759 K760 M765 L766 M767	V743-V763 HydrophobicContact CG1-CG1 4.1Å; I746-V763 HydrophobicContact CB-CG2 4.2Å; I746-V763 HydrophobicContact CG2-CG2 3.68Å; F759-V763 PolarHBondContact O-N 2.88Å; K760-V763 PolarHBondContact O-N 3.14Å; V763-M765 PolarHBondContact O-N 2.96Å; V763-L766 PolarHBondContact O-N 3.46Å; V763-M767 HydrophobicContact CG1-CG 4.13Å; V763-M767 WeakPolarHBondContact O-CB 3.34Å; V763-M767 WeakPolarHBondContact O-CG 3.35Å; V763-M767 PolarHBondContact O-N 3.37Å
764	N	98.3	Very high	97.4	Very high	78 Å²	78	60 Å²	60	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-44.6	177.8	-174.8	73	0	0	0	111.7	K760 M767 H768	K760-N764 VanDerWaalsContact O-CB 3.23Å; K760-N764 WeakPolarHBondContact O-CB 3.47Å; K760-N764 PolarHBondContact O-N 3.49Å; N764-M767 PolarHBondContact O-N 2.85Å; N764-H768 WeakPolarHBondContact O-CB 3.25Å; N764-H768 PolarHBondContact O-CD2 2.99Å; N764-H768 PolarHBondContact O-N 3.18Å; N764-H768 PolarHBondContact OD1-CD2 3.48Å; N764-H768 VanDerWaalsContact OD1-CD2 3.25Å
765	M	98.3	Very high	97.5	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.069	25%	0.245	C	C	.	.	I	π-helix	trans	-59.7	-51.7	174.8	-177.4	-79.5	-74.1	0	0	111	E573 L578 M616 D761 V762 V763 M767 H768 H769 D770	E573-M765 HydrophobicContact CG-CE 4.34Å; L578-M765 HydrophobicContact CD1-CE 3.49Å; L578-M765 VanDerWaalsContact CD1-CE 3.49Å; M616-M765 HydrophobicContact CE-CB 3.63Å; M616-M765 HydrophobicContact CE-CG 4.01Å; M616-M765 HydrophobicContact CG-CE 4.33Å; M616-M765 HydrophobicContact SD-CE 4.12Å; D761-M765 WeakPolarHBondContact O-CB 3.38Å; D761-M765 PolarHBondContact O-N 3.06Å; V762-M765 PolarHBondContact O-N 2.84Å; V763-M765 PolarHBondContact O-N 2.96Å; M765-M767 VanDerWaalsContact C-N 3.27Å; M765-M767 PolarHBondContact O-N 3.15Å; M765-H768 PolarHBondContact O-N 3.34Å; M765-H769 CarbonylContact O-C 3.53Å; M765-H769 PolarHBondContact O-N 2.88Å; M765-D770 WeakPolarHBondContact O-CB 3.41Å; M765-D770 PolarHBondContact O-N 3.44Å; M765-D770 HydrophobicContact SD-CB 4Å
766	L	98.4	Very high	97.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.224	C	C	.	.	I	π-helix	trans	-58	-37	179.8	-74.5	170.8	0	0	0	113.1	L578 A729 V762 V763 V774 F775	L578-L766 HydrophobicContact CD1-CD2 4.25Å; A729-L766 WeakPolarHBondContact CB-O 3.42Å; V762-L766 HydrophobicContact CG1-CD1 4Å; V762-L766 WeakPolarHBondContact O-CB 3.48Å; V762-L766 WeakPolarHBondContact O-CG 3.47Å; V762-L766 PolarHBondContact O-N 3.37Å; V763-L766 PolarHBondContact O-N 3.46Å; L766-V774 HydrophobicContact CD2-CB 3.72Å; L766-V774 HydrophobicContact CD2-CG1 3.88Å; L766-V774 HydrophobicContact CD2-CG2 3.87Å; L766-F775 HydrophobicContact CB-CE1 4.07Å; L766-F775 HydrophobicContact CB-CE2 4.44Å; L766-F775 HydrophobicContact CB-CZ 3.73Å; L766-F775 HydrophobicContact CD1-CE1 4.16Å; L766-F775 HydrophobicContact CD1-CZ 4.36Å; L766-F775 HydrophobicContact CD2-CE1 4.08Å; L766-F775 HydrophobicContact CG-CE1 4.34Å; L766-F775 HydrophobicContact CG-CZ 4.46Å
767	M	98	Very high	97.9	Very high	22 Å²	22	42.5 Å²	42.5	11%	0.108	21%	0.205	C	C	.	.	I	π-helix	trans	-84.3	-30.5	-175.9	-68.3	-64.1	-62.3	0	0	114	Y733 V763 N764 M765 F775	Y733-M767 HydrophobicContact CD1-CE 4.32Å; Y733-M767 HydrophobicContact CD2-CE 4.35Å; Y733-M767 HydrophobicContact CD2-SD 3.96Å; Y733-M767 HydrophobicContact CG-CE 4.06Å; Y733-M767 HydrophobicContact CG-SD 4.15Å; V763-M767 HydrophobicContact CG1-CG 4.13Å; V763-M767 WeakPolarHBondContact O-CB 3.34Å; V763-M767 WeakPolarHBondContact O-CG 3.35Å; V763-M767 PolarHBondContact O-N 3.37Å; N764-M767 PolarHBondContact O-N 2.85Å; M765-M767 VanDerWaalsContact C-N 3.27Å; M765-M767 PolarHBondContact O-N 3.15Å; M767-F775 HydrophobicContact SD-CE2 3.69Å; M767-F775 HydrophobicContact SD-CZ 4.29Å
768	H	97.5	Very high	98	Very high	125 Å²	125	37.2 Å²	37.2	58%	0.579	18%	0.177	S	C	*	.	I	π-helix	trans	-127.6	-25.5	-165.4	-57.8	-60.7	0	0	0	114.9	N764 M765	N764-H768 WeakPolarHBondContact O-CB 3.25Å; N764-H768 PolarHBondContact O-CD2 2.99Å; N764-H768 PolarHBondContact O-N 3.18Å; N764-H768 PolarHBondContact OD1-CD2 3.48Å; N764-H768 VanDerWaalsContact OD1-CD2 3.25Å; M765-H768 PolarHBondContact O-N 3.34Å
769	H	96.8	Very high	98.1	Very high	127 Å²	127	39.9 Å²	39.9	59%	0.588	19%	0.187	S	C	*	.	I	π-helix	trans	-135.4	16.2	-169.2	-54.2	-55.4	0	0	0	113.6	M765 R771	M765-H769 CarbonylContact O-C 3.53Å; M765-H769 PolarHBondContact O-N 2.88Å; H769-R771 PolarHBondContact O-N 3.4Å
770	D	97.5	Very high	98.1	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.048	20%	0.2	C	C	.	.			trans	-71.7	93.9	-175.6	170	27.3	0	0	0	111.7	Y727 M765 F772 K773 V774	Y727-D770 HydrophobicContact CE1-CB 3.97Å; Y727-D770 WeakPolarHBondContact CE1-O 3.35Å; Y727-D770 PolarHBondContact OH-OD2 3.19Å; M765-D770 WeakPolarHBondContact O-CB 3.41Å; M765-D770 PolarHBondContact O-N 3.44Å; M765-D770 HydrophobicContact SD-CB 4Å; D770-F772 PolarHBondContact O-N 3.42Å; D770-F772 WeakPolarHBondContact OD1-CA 3.19Å; D770-F772 PolarHBondContact OD1-N 2.91Å; D770-K773 VanDerWaalsContact CG-N 3.29Å; D770-K773 PolarHBondContact OD1-N 3.43Å; D770-K773 VanDerWaalsContact OD2-CA 3.25Å; D770-K773 WeakPolarHBondContact OD2-CA 3.39Å; D770-K773 PolarHBondContact OD2-N 2.92Å; D770-V774 PolarHBondContact OD2-N 2.72Å
771	R	96	Very high	98.2	Very high	135 Å²	135	35.3 Å²	35.3	51%	0.509	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25	175.2	-65.1	173.3	66.2	-156.3	-1.9	112.5	E383 H769	E383-R771 VanDerWaalsContact CD-NH2 3.31Å; E383-R771 IonicContact OE1-CZ 2.88Å; E383-R771 VanDerWaalsContact OE1-CZ 3.27Å; E383-R771 IonicContact OE1-NH1 3.5Å; E383-R771 PolarHBondContact OE1-NH1 2.65Å; E383-R771 IonicContact OE1-NH2 3.33Å; E383-R771 PolarHBondContact OE1-NH2 3.23Å; E383-R771 IonicContact OE2-CZ 3.67Å; E383-R771 IonicContact OE2-NH1 3.09Å; E383-R771 IonicContact OE2-NH2 3.58Å; E383-R771 PolarHBondContact OE2-NH2 2.81Å; H769-R771 PolarHBondContact O-N 3.4Å
772	F	97.7	Very high	98.2	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.026	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	6.1	-166.4	-57.4	-64.8	0	0	0	113.6	E573 Y574 T669 T672 D770 V774	E573-F772 HydrophobicContact CB-CD2 3.49Å; E573-F772 VanDerWaalsContact CB-CD2 3.49Å; E573-F772 HydrophobicContact CB-CE2 3.47Å; E573-F772 VanDerWaalsContact CB-CE2 3.47Å; Y574-F772 VanDerWaalsContact CB-CD1 3.45Å; T669-F772 WeakPolarHBondContact OG1-CB 3.33Å; T669-F772 PolarHBondContact OG1-O 3.46Å; T672-F772 HydrophobicContact CG2-CD1 4.28Å; T672-F772 HydrophobicContact CG2-CE1 4.32Å; D770-F772 PolarHBondContact O-N 3.42Å; D770-F772 WeakPolarHBondContact OD1-CA 3.19Å; D770-F772 PolarHBondContact OD1-N 2.91Å; F772-V774 VanDerWaalsContact C-N 3.32Å; F772-V774 PolarHBondContact O-N 3.48Å
773	K	98.5	Very high	98.2	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.035	19%	0.185	C	C	.	.			trans	56.2	43.7	165.6	-56.1	160.9	173.5	82	0	112.4	V719 L722 D723 Y727 D770 F775 A776	V719-K773 HydrophobicContact CG1-CD 4.01Å; L722-K773 HydrophobicContact CD2-CD 3.99Å; L722-K773 HydrophobicContact CD2-CG 4.37Å; D723-K773 WeakPolarHBondContact OD1-CE 3.06Å; D723-K773 IonicContact OD1-NZ 3.49Å; D723-K773 PolarHBondContact OD1-NZ 3.21Å; D723-K773 IonicContact OD2-NZ 2.71Å; D723-K773 PolarHBondContact OD2-NZ 3.17Å; Y727-K773 HydrophobicContact CD1-CG 4.2Å; Y727-K773 HydrophobicContact CD2-CG 4.17Å; Y727-K773 HydrophobicContact CE1-CG 4.36Å; Y727-K773 HydrophobicContact CE2-CB 4.23Å; Y727-K773 HydrophobicContact CE2-CG 4.35Å; Y727-K773 HydrophobicContact CG-CG 4.08Å; D770-K773 VanDerWaalsContact CG-N 3.29Å; D770-K773 PolarHBondContact OD1-N 3.43Å; D770-K773 VanDerWaalsContact OD2-CA 3.25Å; D770-K773 WeakPolarHBondContact OD2-CA 3.39Å; D770-K773 PolarHBondContact OD2-N 2.92Å; K773-F775 PolarHBondContact O-N 2.96Å; K773-A776 HydrophobicContact CB-CB 3.98Å; K773-A776 WeakPolarHBondContact O-CB 3.24Å; K773-A776 PolarHBondContact O-N 3.27Å; K773-A776 VanDerWaalsContact O-N 3.08Å
774	V	98.8	Very high	98.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-53.3	-42.8	-177.6	174.3	0	0	0	0	111.3	R576 L579 L582 L766 D770 F772 Y778	R576-V774 HydrophobicContact CG-CG2 4.41Å; L579-V774 HydrophobicContact CB-CG1 4.13Å; L579-V774 HydrophobicContact CD1-CG1 4.38Å; L582-V774 HydrophobicContact CD1-CG1 3.72Å; L766-V774 HydrophobicContact CD2-CB 3.72Å; L766-V774 HydrophobicContact CD2-CG1 3.88Å; L766-V774 HydrophobicContact CD2-CG2 3.87Å; D770-V774 PolarHBondContact OD2-N 2.72Å; F772-V774 VanDerWaalsContact C-N 3.32Å; F772-V774 PolarHBondContact O-N 3.48Å; V774-Y778 PolarHBondContact O-N 3.48Å
775	F	98.8	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-74.4	-26.8	-178.3	-65.2	-8.4	0	0	0	113.5	L582 A729 Y732 L739 V743 L766 M767 K773 D777 Y778	L582-F775 HydrophobicContact CD1-CD1 4.13Å; L582-F775 HydrophobicContact CD1-CE1 3.92Å; A729-F775 HydrophobicContact CB-CD2 3.78Å; A729-F775 HydrophobicContact CB-CE2 4.17Å; Y732-F775 HydrophobicContact CD2-CB 4.39Å; Y732-F775 HydrophobicContact CG-CB 4.12Å; L739-F775 HydrophobicContact CD1-CD1 3.79Å; L739-F775 HydrophobicContact CD1-CE1 3.86Å; L739-F775 HydrophobicContact CD1-CG 4.42Å; L739-F775 HydrophobicContact CD2-CB 3.95Å; L739-F775 HydrophobicContact CD2-CD1 4.03Å; L739-F775 HydrophobicContact CD2-CD2 4.13Å; L739-F775 HydrophobicContact CD2-CG 3.79Å; L739-F775 HydrophobicContact CG-CD1 4.43Å; V743-F775 HydrophobicContact CG2-CE1 3.89Å; V743-F775 HydrophobicContact CG2-CE2 4.46Å; V743-F775 HydrophobicContact CG2-CZ 3.54Å; L766-F775 HydrophobicContact CB-CE1 4.07Å; L766-F775 HydrophobicContact CB-CE2 4.44Å; L766-F775 HydrophobicContact CB-CZ 3.73Å; L766-F775 HydrophobicContact CD1-CE1 4.16Å; L766-F775 HydrophobicContact CD1-CZ 4.36Å; L766-F775 HydrophobicContact CD2-CE1 4.08Å; L766-F775 HydrophobicContact CG-CE1 4.34Å; L766-F775 HydrophobicContact CG-CZ 4.46Å; M767-F775 HydrophobicContact SD-CE2 3.69Å; M767-F775 HydrophobicContact SD-CZ 4.29Å; K773-F775 PolarHBondContact O-N 2.96Å; F775-D777 VanDerWaalsContact C-N 3.26Å; F775-D777 PolarHBondContact O-N 2.99Å; F775-Y778 PolarHBondContact O-N 3.26Å
776	A	98.6	Very high	98.3	Very high	15 Å²	15	35.5 Å²	35.5	12%	0.124	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-35	-179.8	0	0	0	0	0	112.4	L714 L722 Y727 Y732 K773	L714-A776 HydrophobicContact CD1-CB 3.88Å; L722-A776 HydrophobicContact CD2-CB 4Å; Y727-A776 HydrophobicContact CE2-CB 4.19Å; Y732-A776 HydrophobicContact CE1-CB 4.15Å; Y732-A776 HydrophobicContact CE2-CB 4.22Å; K773-A776 HydrophobicContact CB-CB 3.98Å; K773-A776 WeakPolarHBondContact O-CB 3.24Å; K773-A776 PolarHBondContact O-N 3.27Å; K773-A776 VanDerWaalsContact O-N 3.08Å
777	D	98.8	Very high	98.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-95.1	-6.9	-179.4	-85.5	-15.4	0	0	0	114.4	R576 L579 F712 G713 L714 F775 E779 A780 Y781	R576-D777 IonicContact CZ-OD2 3.12Å; R576-D777 VanDerWaalsContact CZ-OD2 3.3Å; R576-D777 IonicContact NH1-OD2 2.97Å; R576-D777 PolarHBondContact NH1-OD2 3.47Å; R576-D777 IonicContact NH2-OD2 3.03Å; R576-D777 PolarHBondContact NH2-OD2 2.95Å; L579-D777 HydrophobicContact CD2-CB 4.32Å; F712-D777 HydrophobicContact CE2-CB 4.27Å; G713-D777 WeakPolarHBondContact CA-OD1 3.4Å; L714-D777 WeakPolarHBondContact CG-OD1 3.47Å; L714-D777 PolarHBondContact N-OD1 3.3Å; F775-D777 VanDerWaalsContact C-N 3.26Å; F775-D777 PolarHBondContact O-N 2.99Å; D777-E779 PolarHBondContact O-N 3.37Å; D777-A780 PolarHBondContact O-N 3.27Å; D777-Y781 VanDerWaalsContact O-CB 3.26Å; D777-Y781 WeakPolarHBondContact O-CB 3.41Å; D777-Y781 PolarHBondContact O-N 3.33Å
778	Y	98.9	Very high	98.3	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	20%	0.196	C	C	.	.	H	α-helix	trans	-56.6	-48.5	-172.7	169	-91.9	0	0	0	113.1	L582 T586 L736 L739 V774 F775 Y781 V782	L582-Y778 HydrophobicContact CB-CD2 3.99Å; L582-Y778 HydrophobicContact CB-CE2 3.97Å; L582-Y778 HydrophobicContact CD1-CD2 4.39Å; T586-Y778 WeakPolarHBondContact CG2-OH 3.47Å; T586-Y778 PolarHBondContact OG1-OH 2.5Å; L736-Y778 HydrophobicContact CD1-CD1 4.1Å; L739-Y778 HydrophobicContact CB-CD1 3.83Å; L739-Y778 HydrophobicContact CB-CE1 3.65Å; L739-Y778 HydrophobicContact CB-CG 4.41Å; L739-Y778 HydrophobicContact CD1-CD1 4.19Å; L739-Y778 HydrophobicContact CD1-CD2 3.9Å; L739-Y778 HydrophobicContact CD1-CE1 4.47Å; L739-Y778 HydrophobicContact CD1-CE2 4.18Å; L739-Y778 HydrophobicContact CD1-CG 3.9Å; L739-Y778 HydrophobicContact CD2-CD1 4.32Å; L739-Y778 HydrophobicContact CD2-CG 4.48Å; L739-Y778 HydrophobicContact CG-CD1 4.34Å; L739-Y778 HydrophobicContact CG-CG 4.49Å; V774-Y778 PolarHBondContact O-N 3.48Å; F775-Y778 PolarHBondContact O-N 3.26Å; Y778-Y781 PolarHBondContact O-N 3.22Å; Y778-V782 HydrophobicContact CD2-CG2 4.2Å; Y778-V782 HydrophobicContact CE1-CG2 4.18Å; Y778-V782 HydrophobicContact CE2-CG2 3.75Å; Y778-V782 WeakPolarHBondContact O-CG2 3.34Å; Y778-V782 PolarHBondContact O-N 2.94Å
779	E	98.7	Very high	98.4	Very high	75 Å²	75	34.5 Å²	34.5	35%	0.35	17%	0.174	S	C	.	.	H	α-helix	trans	-64.6	-47.9	-176.8	179.7	167.5	-142.7	0	0	111.7	R735 L736 D777 Y781 V782 Q783	R735-E779 IonicContact NH2-OE2 3.65Å; R735-E779 PolarHBondContact NH2-OE2 3.41Å; L736-E779 HydrophobicContact CD1-CB 4.15Å; L736-E779 HydrophobicContact CD2-CB 4.45Å; L736-E779 HydrophobicContact CD2-CG 4.46Å; D777-E779 PolarHBondContact O-N 3.37Å; E779-Y781 VanDerWaalsContact C-N 3.31Å; E779-Y781 PolarHBondContact O-N 3.03Å; E779-V782 PolarHBondContact O-N 2.9Å; E779-Q783 VanDerWaalsContact O-CG 3.27Å; E779-Q783 WeakPolarHBondContact O-CG 3.3Å; E779-Q783 PolarHBondContact O-N 3.25Å
780	A	98.8	Very high	98.5	Very high	33 Å²	33	35 Å²	35	27%	0.273	18%	0.176	S	C	.	.	H	α-helix	trans	-62	-39	176.9	0	0	0	0	0	111.8	F712 D777 Q783 C784	F712-A780 HydrophobicContact CB-CB 4.44Å; F712-A780 HydrophobicContact CD2-CB 4.37Å; D777-A780 PolarHBondContact O-N 3.27Å; A780-Q783 PolarHBondContact O-N 3.31Å; A780-C784 VanDerWaalsContact O-CB 3.3Å; A780-C784 WeakPolarHBondContact O-CB 3.33Å; A780-C784 PolarHBondContact O-N 3.43Å
781	Y	98.9	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-48.8	177.4	-178.6	-128	0	0	0	112.3	L579 N580 H583 Q665 I667 I690 F712 D777 Y778 E779 Q783 C784 Q785	L579-Y781 HydrophobicContact CD1-CD1 3.77Å; L579-Y781 HydrophobicContact CD1-CG 4.3Å; L579-Y781 HydrophobicContact CD2-CD1 4.22Å; L579-Y781 HydrophobicContact CD2-CG 4.2Å; L579-Y781 HydrophobicContact CG-CD1 3.65Å; L579-Y781 HydrophobicContact CG-CE1 4.01Å; L579-Y781 HydrophobicContact CG-CG 4.13Å; N580-Y781 PolarHBondContact OD1-OH 3.4Å; H583-Y781 HydrophobicContact CB-CD1 3.91Å; H583-Y781 HydrophobicContact CB-CE1 3.4Å; H583-Y781 VanDerWaalsContact CB-CE1 3.4Å; H583-Y781 AromaticContact CG-CE1 3.9Å; Q665-Y781 PolarHBondContact NE2-OH 3.11Å; Q665-Y781 VanDerWaalsContact NE2-OH 3.16Å; Q665-Y781 PolarHBondContact OE1-OH 3.21Å; I667-Y781 HydrophobicContact CG2-CE2 3.93Å; I690-Y781 HydrophobicContact CD1-CD2 3.98Å; I690-Y781 HydrophobicContact CD1-CE2 3.68Å; I690-Y781 HydrophobicContact CG1-CE2 4.23Å; F712-Y781 HydrophobicContact CD1-CD2 4.06Å; F712-Y781 HydrophobicContact CD2-CD2 4.16Å; F712-Y781 HydrophobicContact CD2-CG 4.42Å; F712-Y781 AromaticContact CE1-CD2 3.49Å; F712-Y781 HydrophobicContact CE1-CD2 3.49Å; F712-Y781 VanDerWaalsContact CE1-CD2 3.49Å; F712-Y781 AromaticContact CE1-CE2 3.99Å; F712-Y781 HydrophobicContact CE1-CE2 3.99Å; F712-Y781 VanDerWaalsContact CE2-CB 3.49Å; F712-Y781 AromaticContact CE2-CD2 3.62Å; F712-Y781 HydrophobicContact CE2-CD2 3.62Å; F712-Y781 AromaticContact CE2-CG 3.88Å; F712-Y781 HydrophobicContact CE2-CG 3.88Å; F712-Y781 HydrophobicContact CG-CD2 4.37Å; F712-Y781 AromaticContact CZ-CD2 3.24Å; F712-Y781 HydrophobicContact CZ-CD2 3.24Å; F712-Y781 AromaticContact CZ-CE2 3.92Å; F712-Y781 HydrophobicContact CZ-CE2 3.92Å; F712-Y781 AromaticContact CZ-CG 3.93Å; F712-Y781 HydrophobicContact CZ-CG 3.93Å; D777-Y781 VanDerWaalsContact O-CB 3.26Å; D777-Y781 WeakPolarHBondContact O-CB 3.41Å; D777-Y781 PolarHBondContact O-N 3.33Å; Y778-Y781 PolarHBondContact O-N 3.22Å; E779-Y781 VanDerWaalsContact C-N 3.31Å; E779-Y781 PolarHBondContact O-N 3.03Å; Y781-Q783 VanDerWaalsContact C-N 3.32Å; Y781-Q783 PolarHBondContact O-N 3.48Å; Y781-C784 PolarHBondContact O-N 3.05Å; Y781-Q785 HydrophobicContact CD2-CG 4.3Å; Y781-Q785 HydrophobicContact CE2-CG 4.02Å; Y781-Q785 WeakPolarHBondContact O-CG 3.2Å; Y781-Q785 PolarHBondContact O-N 2.94Å; Y781-Q785 PolarHBondContact OH-NE2 3.08Å; Y781-Q785 VanDerWaalsContact OH-NE2 3.17Å
782	V	98.8	Very high	98.6	Very high	8 Å²	8	32 Å²	32	5%	0.048	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-38	178.7	172.6	0	0	0	0	111.4	T586 Y778 E779 Q785 A786	T586-V782 HydrophobicContact CG2-CG1 4.45Å; Y778-V782 HydrophobicContact CD2-CG2 4.2Å; Y778-V782 HydrophobicContact CE1-CG2 4.18Å; Y778-V782 HydrophobicContact CE2-CG2 3.75Å; Y778-V782 WeakPolarHBondContact O-CG2 3.34Å; Y778-V782 PolarHBondContact O-N 2.94Å; E779-V782 PolarHBondContact O-N 2.9Å; V782-Q785 PolarHBondContact O-N 2.67Å; V782-A786 PolarHBondContact O-N 2.86Å
783	Q	98.8	Very high	98.7	Very high	114 Å²	114	38.7 Å²	38.7	53%	0.533	19%	0.192	S	C	.	.	H	α-helix	trans	-65.6	-43.3	175	-71.9	173.8	5.2	0	0	111.9	E779 A780 Y781 Q785 A786 Q787	E779-Q783 VanDerWaalsContact O-CG 3.27Å; E779-Q783 WeakPolarHBondContact O-CG 3.3Å; E779-Q783 PolarHBondContact O-N 3.25Å; A780-Q783 PolarHBondContact O-N 3.31Å; Y781-Q783 VanDerWaalsContact C-N 3.32Å; Y781-Q783 PolarHBondContact O-N 3.48Å; Q783-Q785 VanDerWaalsContact C-N 3.34Å; Q783-Q785 PolarHBondContact O-N 3.3Å; Q783-A786 WeakPolarHBondContact O-CB 3.41Å; Q783-A786 PolarHBondContact O-N 2.89Å; Q783-Q787 PolarHBondContact O-N 3.22Å
784	C	98.8	Very high	98.6	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-40.9	176.8	-166.1	0	0	0	0	111.5	I690 F712 A780 Y781 A786 Q787 V788	I690-C784 HydrophobicContact CD1-CB 4.19Å; F712-C784 HydrophobicContact CB-CB 3.78Å; F712-C784 HydrophobicContact CD1-CB 4.42Å; F712-C784 HydrophobicContact CG-CB 4.26Å; A780-C784 VanDerWaalsContact O-CB 3.3Å; A780-C784 WeakPolarHBondContact O-CB 3.33Å; A780-C784 PolarHBondContact O-N 3.43Å; Y781-C784 PolarHBondContact O-N 3.05Å; C784-A786 VanDerWaalsContact C-N 3.25Å; C784-A786 PolarHBondContact O-N 3.5Å; C784-Q787 WeakPolarHBondContact O-CA 3.06Å; C784-Q787 VanDerWaalsContact O-CB 3.32Å; C784-Q787 WeakPolarHBondContact O-CB 3.31Å; C784-Q787 PolarHBondContact O-N 3.24Å; C784-V788 PolarHBondContact O-N 3.29Å; C784-V788 VanDerWaalsContact O-N 3.11Å
785	Q	98.8	Very high	98.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-32.9	174.2	-74.9	-78.1	25.6	0	0	113.1	H583 R602 I690 Y781 V782 Q783 Q787 V788 D789	H583-Q785 VanDerWaalsContact CE1-CD 3.45Å; H583-Q785 PolarHBondContact CE1-NE2 3.48Å; H583-Q785 PolarHBondContact ND1-NE2 3.14Å; H583-Q785 WeakPolarHBondContact NE2-CB 3.41Å; H583-Q785 WeakPolarHBondContact NE2-CG 3.34Å; R602-Q785 PolarHBondContact NH2-O 3.44Å; R602-Q785 VanDerWaalsContact NH2-O 3.07Å; R602-Q785 VanDerWaalsContact NH2-OE1 3.15Å; I690-Q785 HydrophobicContact CD1-CG 3.71Å; Y781-Q785 HydrophobicContact CD2-CG 4.3Å; Y781-Q785 HydrophobicContact CE2-CG 4.02Å; Y781-Q785 WeakPolarHBondContact O-CG 3.2Å; Y781-Q785 PolarHBondContact O-N 2.94Å; Y781-Q785 PolarHBondContact OH-NE2 3.08Å; Y781-Q785 VanDerWaalsContact OH-NE2 3.17Å; V782-Q785 PolarHBondContact O-N 2.67Å; Q783-Q785 VanDerWaalsContact C-N 3.34Å; Q783-Q785 PolarHBondContact O-N 3.3Å; Q785-Q787 VanDerWaalsContact C-N 3.32Å; Q785-Q787 PolarHBondContact O-N 2.89Å; Q785-V788 WeakPolarHBondContact O-CB 3.46Å; Q785-V788 PolarHBondContact O-N 3.05Å; Q785-D789 PolarHBondContact O-N 3.29Å
786	A	98.4	Very high	98.6	Very high	49 Å²	49	50.6 Å²	50.6	41%	0.405	26%	0.257	S	S	.	.	H	α-helix	trans	-67.4	-32.1	173.6	0	0	0	0	0	112.7	V782 Q783 C784 D789 Q790	V782-A786 PolarHBondContact O-N 2.86Å; Q783-A786 WeakPolarHBondContact O-CB 3.41Å; Q783-A786 PolarHBondContact O-N 2.89Å; C784-A786 VanDerWaalsContact C-N 3.25Å; C784-A786 PolarHBondContact O-N 3.5Å; A786-D789 PolarHBondContact O-N 3.12Å; A786-Q790 PolarHBondContact O-N 3.27Å
787	Q	98.6	Very high	98.6	Very high	108 Å²	108	50.8 Å²	50.8	51%	0.505	26%	0.26	S	S	.	.	H	α-helix	trans	-68.9	-37.7	173	-58	174.6	4.9	0	0	111.4	F710 Q783 C784 Q785 Q790 L791	F710-Q787 HydrophobicContact CD1-CB 4.37Å; F710-Q787 HydrophobicContact CE1-CB 4.2Å; Q783-Q787 PolarHBondContact O-N 3.22Å; C784-Q787 WeakPolarHBondContact O-CA 3.06Å; C784-Q787 VanDerWaalsContact O-CB 3.32Å; C784-Q787 WeakPolarHBondContact O-CB 3.31Å; C784-Q787 PolarHBondContact O-N 3.24Å; Q785-Q787 VanDerWaalsContact C-N 3.32Å; Q785-Q787 PolarHBondContact O-N 2.89Å; Q787-Q790 PolarHBondContact O-N 3.32Å; Q787-L791 PolarHBondContact O-N 3.21Å
788	V	98.8	Very high	98.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-49.9	171.8	178.8	0	0	0	0	110.2	M563 L663 I690 F710 C784 Q785 Q790 L791 Y792 W798	M563-V788 HydrophobicContact CE-CG1 3.91Å; M563-V788 HydrophobicContact SD-CG1 3.7Å; L663-V788 HydrophobicContact CD1-CG1 3.9Å; L663-V788 HydrophobicContact CD1-CG2 4.15Å; L663-V788 HydrophobicContact CD2-CG1 3.91Å; L663-V788 HydrophobicContact CD2-CG2 4.48Å; L663-V788 HydrophobicContact CG-CG1 4.46Å; I690-V788 HydrophobicContact CD1-CG2 4.3Å; F710-V788 HydrophobicContact CB-CG2 4.23Å; F710-V788 HydrophobicContact CD1-CG2 3.81Å; F710-V788 HydrophobicContact CD2-CG2 3.74Å; F710-V788 HydrophobicContact CE1-CG2 3.99Å; F710-V788 HydrophobicContact CE2-CG2 3.91Å; F710-V788 HydrophobicContact CG-CG2 3.67Å; F710-V788 HydrophobicContact CZ-CB 4.41Å; F710-V788 HydrophobicContact CZ-CG2 4.02Å; C784-V788 PolarHBondContact O-N 3.29Å; C784-V788 VanDerWaalsContact O-N 3.11Å; Q785-V788 WeakPolarHBondContact O-CB 3.46Å; Q785-V788 PolarHBondContact O-N 3.05Å; V788-Q790 VanDerWaalsContact C-N 3.29Å; V788-Q790 PolarHBondContact O-N 3.03Å; V788-L791 PolarHBondContact O-N 2.93Å; V788-Y792 WeakPolarHBondContact O-CB 2.93Å; V788-Y792 PolarHBondContact O-N 2.87Å; V788-W798 HydrophobicContact CG1-CH2 4.08Å; V788-W798 HydrophobicContact CG1-CZ3 3.94Å
789	D	98.4	Very high	98.6	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.112	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-41.5	177	-77.5	-20	0	0	0	112.2	V600 R602 Q785 A786 Y792 R793	V600-D789 HydrophobicContact CB-CB 4.42Å; V600-D789 HydrophobicContact CG2-CB 3.92Å; R602-D789 IonicContact CZ-OD1 2.58Å; R602-D789 IonicContact NE-OD1 3Å; R602-D789 PolarHBondContact NE-OD1 2.72Å; R602-D789 VanDerWaalsContact NH2-CG 3.25Å; R602-D789 IonicContact NH2-OD1 3.37Å; R602-D789 PolarHBondContact NH2-OD1 2.92Å; R602-D789 IonicContact NH2-OD2 3Å; Q785-D789 PolarHBondContact O-N 3.29Å; A786-D789 PolarHBondContact O-N 3.12Å; D789-Y792 PolarHBondContact O-N 2.87Å; D789-R793 WeakPolarHBondContact O-CG 3.26Å; D789-R793 PolarHBondContact O-N 3.49Å
790	Q	98.4	Very high	98.6	Very high	138 Å²	138	49.9 Å²	49.9	65%	0.645	26%	0.256	S	S	*	.	H	α-helix	trans	-62.3	-44.2	178.6	-173.7	178.2	8	0	0	111.7	A786 Q787 V788	A786-Q790 PolarHBondContact O-N 3.27Å; Q787-Q790 PolarHBondContact O-N 3.32Å; V788-Q790 VanDerWaalsContact C-N 3.29Å; V788-Q790 PolarHBondContact O-N 3.03Å
791	L	98.6	Very high	98.6	Very high	38 Å²	38	49.4 Å²	49.4	20%	0.199	25%	0.248	C	C	.	.	H	α-helix	trans	-71.1	-38.7	179.2	-175	65.1	0	0	0	112.2	L688 F710 Q787 V788 R793 N794 W798 K801	L688-L791 HydrophobicContact CD1-CD2 4.07Å; F710-L791 HydrophobicContact CE2-CD2 4.37Å; F710-L791 HydrophobicContact CZ-CB 4.17Å; F710-L791 HydrophobicContact CZ-CD2 3.7Å; Q787-L791 PolarHBondContact O-N 3.21Å; V788-L791 PolarHBondContact O-N 2.93Å; L791-R793 PolarHBondContact O-N 2.78Å; L791-N794 CarbonylContact O-C 3.6Å; L791-N794 WeakPolarHBondContact O-CA 3.42Å; L791-N794 PolarHBondContact O-N 3.45Å; L791-W798 HydrophobicContact CB-CE3 4.21Å; L791-W798 HydrophobicContact CD2-CE3 3.9Å; L791-W798 HydrophobicContact CD2-CZ3 4.48Å; L791-W798 HydrophobicContact CG-CB 4.41Å; L791-W798 HydrophobicContact CG-CE3 3.91Å; L791-K801 HydrophobicContact CD2-CB 4.47Å; L791-K801 HydrophobicContact CD2-CD 3.68Å
792	Y	98.6	Very high	98.6	Very high	43 Å²	43	49.7 Å²	49.7	17%	0.169	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-26.6	-178.4	-165.5	-95.8	0	0	0	112.3	K543 S562 M563 V600 D662 V788 D789 N794 W798	K543-Y792 PolarHBondContact NZ-OH 3.27Å; S562-Y792 PolarHBondContact O-OH 3.06Å; M563-Y792 WeakPolarHBondContact CA-OH 3.46Å; M563-Y792 HydrophobicContact CB-CD1 4.15Å; M563-Y792 HydrophobicContact CB-CD2 4.12Å; M563-Y792 HydrophobicContact CB-CE1 3.82Å; M563-Y792 HydrophobicContact CB-CE2 3.8Å; M563-Y792 HydrophobicContact CB-CG 4.29Å; M563-Y792 HydrophobicContact CG-CD2 3.87Å; M563-Y792 HydrophobicContact CG-CE2 3.71Å; M563-Y792 HydrophobicContact CG-CG 4.39Å; M563-Y792 HydrophobicContact SD-CD2 3.8Å; M563-Y792 HydrophobicContact SD-CE2 4.28Å; M563-Y792 HydrophobicContact SD-CG 4.1Å; V600-Y792 HydrophobicContact CG1-CD1 3.57Å; V600-Y792 HydrophobicContact CG1-CE1 4.21Å; V600-Y792 HydrophobicContact CG1-CG 4.35Å; D662-Y792 HydrophobicContact CB-CE2 4.23Å; V788-Y792 WeakPolarHBondContact O-CB 2.93Å; V788-Y792 PolarHBondContact O-N 2.87Å; D789-Y792 PolarHBondContact O-N 2.87Å; Y792-N794 PolarHBondContact O-N 2.8Å; Y792-W798 AromaticContact CD2-CD2 3.84Å; Y792-W798 HydrophobicContact CD2-CD2 3.84Å; Y792-W798 AromaticContact CD2-CE2 3.88Å; Y792-W798 AromaticContact CD2-CE3 3.84Å; Y792-W798 HydrophobicContact CD2-CE3 3.84Å; Y792-W798 HydrophobicContact CD2-CG 4.49Å; Y792-W798 AromaticContact CD2-CH2 3.98Å; Y792-W798 HydrophobicContact CD2-CH2 3.98Å; Y792-W798 AromaticContact CD2-CZ2 3.97Å; Y792-W798 HydrophobicContact CD2-CZ2 3.97Å; Y792-W798 AromaticContact CD2-CZ3 3.91Å; Y792-W798 HydrophobicContact CD2-CZ3 3.91Å; Y792-W798 HydrophobicContact CE2-CZ2 4.39Å; Y792-W798 HydrophobicContact CG-CE3 4.41Å; Y792-W798 HydrophobicContact CG-CZ3 4.48Å
793	R	98.2	Very high	98.6	Very high	145 Å²	145	49.4 Å²	49.4	55%	0.547	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.4	169.8	-69.2	-179.5	-178.1	114.6	-5.8	114.1	A598 V600 D789 L791 P795	A598-R793 PolarHBondContact O-NH2 3.26Å; V600-R793 HydrophobicContact CG2-CG 3.75Å; D789-R793 WeakPolarHBondContact O-CG 3.26Å; D789-R793 PolarHBondContact O-N 3.49Å; L791-R793 PolarHBondContact O-N 2.78Å; R793-P795 WeakPolarHBondContact O-CD 3.25Å
794	N	98.3	Very high	98.6	Very high	83 Å²	83	47.6 Å²	47.6	44%	0.444	24%	0.236	S	C	.	.			trans	-114.2	85	174.3	178.4	2.4	0	0	0	110	L791 Y792 K796 G797 W798	L791-N794 CarbonylContact O-C 3.6Å; L791-N794 WeakPolarHBondContact O-CA 3.42Å; L791-N794 PolarHBondContact O-N 3.45Å; Y792-N794 PolarHBondContact O-N 2.8Å; N794-K796 PolarHBondContact O-N 3.24Å; N794-K796 VanDerWaalsContact O-N 3.16Å; N794-G797 PolarHBondContact O-N 3.13Å; N794-G797 PolarHBondContact OD1-N 3.36Å; N794-W798 PolarHBondContact O-N 3.41Å
795	P	97.9	Very high	98.6	Very high	91 Å²	91	47.4 Å²	47.4	59%	0.591	24%	0.235	S	C	*	.	H	α-helix	trans	-57.1	-35.5	-174.1	-27.2	34.9	0	0	0	114	R793 T799	R793-P795 WeakPolarHBondContact O-CD 3.25Å; P795-T799 WeakPolarHBondContact O-CB 3.46Å; P795-T799 PolarHBondContact O-N 3Å; P795-T799 PolarHBondContact O-OG1 3.45Å
796	K	98.3	Very high	98.6	Very high	86 Å²	86	47.6 Å²	47.6	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-68.1	-47.5	177	-174.9	170.4	-179.2	163.1	0	111	E529 N794 W798 T799 K800	E529-K796 VanDerWaalsContact OE1-CE 3.24Å; E529-K796 WeakPolarHBondContact OE1-CE 3.3Å; E529-K796 IonicContact OE1-NZ 3.96Å; E529-K796 PolarHBondContact OE1-NZ 2.98Å; E529-K796 WeakPolarHBondContact OE2-CE 3.37Å; E529-K796 IonicContact OE2-NZ 3.86Å; E529-K796 PolarHBondContact OE2-NZ 3.21Å; N794-K796 PolarHBondContact O-N 3.24Å; N794-K796 VanDerWaalsContact O-N 3.16Å; K796-W798 VanDerWaalsContact C-N 3.35Å; K796-W798 PolarHBondContact O-N 2.92Å; K796-T799 PolarHBondContact O-N 2.73Å; K796-K800 VanDerWaalsContact O-CG 3.31Å; K796-K800 WeakPolarHBondContact O-CG 3.48Å; K796-K800 PolarHBondContact O-N 2.99Å
797	G	98.4	Very high	98.6	Very high	19 Å²	19	45.2 Å²	45.2	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-43.7	175.5	0	0	0	0	0	112.6	N794 K800 K801	N794-G797 PolarHBondContact O-N 3.13Å; N794-G797 PolarHBondContact OD1-N 3.36Å; G797-K800 PolarHBondContact O-N 2.88Å; G797-K801 PolarHBondContact O-N 2.8Å
798	W	98.8	Very high	98.6	Very high	14 Å²	14	40.6 Å²	40.6	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-56.8	-53.6	174.3	-178.3	-88.4	0	0	0	111.8	M563 D662 L663 L688 F710 V788 L791 Y792 N794 K796 K800 K801 V802	M563-W798 HydrophobicContact SD-CH2 3.95Å; M563-W798 HydrophobicContact SD-CZ3 4.46Å; D662-W798 HydrophobicContact CB-CZ2 4Å; D662-W798 WeakPolarHBondContact O-CZ2 3.24Å; L663-W798 HydrophobicContact CD1-CH2 4.42Å; L688-W798 HydrophobicContact CB-CH2 4.15Å; L688-W798 HydrophobicContact CB-CZ2 4.12Å; L688-W798 HydrophobicContact CD1-CD2 3.78Å; L688-W798 HydrophobicContact CD1-CE3 3.75Å; L688-W798 HydrophobicContact CD1-CH2 3.83Å; L688-W798 HydrophobicContact CD1-CZ2 3.84Å; L688-W798 HydrophobicContact CD1-CZ3 3.79Å; L688-W798 HydrophobicContact CG-CH2 4.23Å; L688-W798 HydrophobicContact CG-CZ2 3.93Å; F710-W798 HydrophobicContact CE2-CZ3 4.3Å; V788-W798 HydrophobicContact CG1-CH2 4.08Å; V788-W798 HydrophobicContact CG1-CZ3 3.94Å; L791-W798 HydrophobicContact CB-CE3 4.21Å; L791-W798 HydrophobicContact CD2-CE3 3.9Å; L791-W798 HydrophobicContact CD2-CZ3 4.48Å; L791-W798 HydrophobicContact CG-CB 4.41Å; L791-W798 HydrophobicContact CG-CE3 3.91Å; Y792-W798 AromaticContact CD2-CD2 3.84Å; Y792-W798 HydrophobicContact CD2-CD2 3.84Å; Y792-W798 AromaticContact CD2-CE2 3.88Å; Y792-W798 AromaticContact CD2-CE3 3.84Å; Y792-W798 HydrophobicContact CD2-CE3 3.84Å; Y792-W798 HydrophobicContact CD2-CG 4.49Å; Y792-W798 AromaticContact CD2-CH2 3.98Å; Y792-W798 HydrophobicContact CD2-CH2 3.98Å; Y792-W798 AromaticContact CD2-CZ2 3.97Å; Y792-W798 HydrophobicContact CD2-CZ2 3.97Å; Y792-W798 AromaticContact CD2-CZ3 3.91Å; Y792-W798 HydrophobicContact CD2-CZ3 3.91Å; Y792-W798 HydrophobicContact CE2-CZ2 4.39Å; Y792-W798 HydrophobicContact CG-CE3 4.41Å; Y792-W798 HydrophobicContact CG-CZ3 4.48Å; N794-W798 PolarHBondContact O-N 3.41Å; K796-W798 VanDerWaalsContact C-N 3.35Å; K796-W798 PolarHBondContact O-N 2.92Å; W798-K800 VanDerWaalsContact C-N 3.31Å; W798-K800 PolarHBondContact O-N 3.5Å; W798-K801 WeakPolarHBondContact O-CB 3.48Å; W798-K801 PolarHBondContact O-N 2.82Å; W798-V802 PolarHBondContact O-N 3.49Å
799	T	98.8	Very high	98.6	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-34.7	-176.2	-52.6	0	0	0	0	112.2	I532 V535 A536 P795 K796 K801 V802 I803	I532-T799 HydrophobicContact CG2-CG2 3.95Å; I532-T799 WeakPolarHBondContact O-CG2 3.28Å; V535-T799 HydrophobicContact CB-CG2 4.26Å; V535-T799 HydrophobicContact CG1-CG2 4.14Å; A536-T799 HydrophobicContact CB-CG2 4.27Å; P795-T799 WeakPolarHBondContact O-CB 3.46Å; P795-T799 PolarHBondContact O-N 3Å; P795-T799 PolarHBondContact O-OG1 3.45Å; K796-T799 PolarHBondContact O-N 2.73Å; T799-K801 VanDerWaalsContact C-N 3.34Å; T799-K801 PolarHBondContact O-N 3.33Å; T799-V802 WeakPolarHBondContact O-CB 3.45Å; T799-V802 PolarHBondContact O-N 2.87Å; T799-I803 HydrophobicContact CG2-CD1 4.25Å; T799-I803 WeakPolarHBondContact O-CG1 3.31Å; T799-I803 PolarHBondContact O-N 2.88Å
800	K	98.8	Very high	98.6	Very high	41 Å²	41	40.1 Å²	40.1	18%	0.178	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-42.6	171.9	-73	-170.5	176.2	-168.7	0	112.2	V526 N527 I532 K796 G797 W798 V802 I803 R804	V526-K800 HydrophobicContact CG2-CB 3.99Å; V526-K800 HydrophobicContact CG2-CG 4.24Å; V526-K800 WeakPolarHBondContact O-CE 3.27Å; V526-K800 WeakPolarHBondContact O-CG 3.32Å; N527-K800 WeakPolarHBondContact OD1-CE 3.47Å; N527-K800 PolarHBondContact OD1-NZ 2.86Å; I532-K800 HydrophobicContact CD1-CD 4.47Å; I532-K800 HydrophobicContact CD1-CG 4.04Å; I532-K800 HydrophobicContact CG1-CG 4.46Å; K796-K800 VanDerWaalsContact O-CG 3.31Å; K796-K800 WeakPolarHBondContact O-CG 3.48Å; K796-K800 PolarHBondContact O-N 2.99Å; G797-K800 PolarHBondContact O-N 2.88Å; W798-K800 VanDerWaalsContact C-N 3.31Å; W798-K800 PolarHBondContact O-N 3.5Å; K800-V802 VanDerWaalsContact C-N 3.33Å; K800-I803 PolarHBondContact O-N 3.42Å; K800-R804 WeakPolarHBondContact O-CG 3.32Å; K800-R804 PolarHBondContact O-N 3.35Å; K800-R804 VanDerWaalsContact O-N 3.17Å
801	K	98.7	Very high	98.6	Very high	23 Å²	23	35.7 Å²	35.7	10%	0.1	17%	0.173	C	C	.	.	H	α-helix	trans	-67.3	-36	176.5	-168.3	160.1	154	155	0	111.1	L688 E707 N708 L709 L791 G797 W798 T799 R804 N805	L688-K801 HydrophobicContact CD1-CB 4.21Å; L688-K801 HydrophobicContact CD1-CD 4.18Å; L688-K801 HydrophobicContact CD1-CG 4.03Å; L688-K801 HydrophobicContact CD2-CB 4.27Å; L688-K801 HydrophobicContact CD2-CG 3.9Å; E707-K801 WeakPolarHBondContact O-CE 3.43Å; E707-K801 PolarHBondContact O-NZ 2.84Å; N708-K801 VanDerWaalsContact CA-CE 3.42Å; N708-K801 HydrophobicContact CB-CG 4.02Å; N708-K801 WeakPolarHBondContact O-CE 3.23Å; L709-K801 PolarHBondContact O-NZ 3.13Å; L791-K801 HydrophobicContact CD2-CB 4.47Å; L791-K801 HydrophobicContact CD2-CD 3.68Å; G797-K801 PolarHBondContact O-N 2.8Å; W798-K801 WeakPolarHBondContact O-CB 3.48Å; W798-K801 PolarHBondContact O-N 2.82Å; T799-K801 VanDerWaalsContact C-N 3.34Å; T799-K801 PolarHBondContact O-N 3.33Å; K801-R804 PolarHBondContact O-N 3.33Å; K801-N805 PolarHBondContact O-N 2.97Å; K801-N805 VanDerWaalsContact O-N 3.15Å; K801-N805 PolarHBondContact O-ND2 3.23Å
802	V	98.9	Very high	98.6	Very high	7 Å²	7	34 Å²	34	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-49.9	171.4	164.8	0	0	0	0	111.7	V535 G686 L688 W798 T799 K800 R804 N805 I806	V535-V802 HydrophobicContact CG1-CG1 4.14Å; G686-V802 WeakPolarHBondContact O-CG1 3.29Å; G686-V802 WeakPolarHBondContact O-CG2 3.43Å; L688-V802 HydrophobicContact CD2-CG2 3.84Å; L688-V802 HydrophobicContact CG-CG2 3.92Å; W798-V802 PolarHBondContact O-N 3.49Å; T799-V802 WeakPolarHBondContact O-CB 3.45Å; T799-V802 PolarHBondContact O-N 2.87Å; K800-V802 VanDerWaalsContact C-N 3.33Å; V802-R804 VanDerWaalsContact C-N 3.29Å; V802-R804 PolarHBondContact O-N 3.32Å; V802-N805 WeakPolarHBondContact O-CB 3.36Å; V802-N805 PolarHBondContact O-N 3.21Å; V802-N805 VanDerWaalsContact O-N 3.08Å; V802-I806 HydrophobicContact CG1-CD1 3.87Å; V802-I806 HydrophobicContact CG1-CG1 4.47Å; V802-I806 PolarHBondContact O-N 2.82Å
803	I	98.9	Very high	98.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-42.5	179	-72.3	163.2	0	0	0	111.1	V526 F531 I532 V535 T799 K800 N805 I806 A807	V526-I803 HydrophobicContact CB-CG2 4.36Å; V526-I803 HydrophobicContact CG2-CB 4.49Å; V526-I803 HydrophobicContact CG2-CG2 4.3Å; F531-I803 HydrophobicContact CD1-CD1 3.77Å; F531-I803 HydrophobicContact CD1-CG1 4.27Å; F531-I803 HydrophobicContact CD1-CG2 4.39Å; F531-I803 HydrophobicContact CE1-CD1 3.94Å; F531-I803 HydrophobicContact CE1-CG1 3.91Å; F531-I803 HydrophobicContact CE1-CG2 3.79Å; I532-I803 HydrophobicContact CG1-CD1 3.89Å; V535-I803 HydrophobicContact CB-CG1 4.49Å; V535-I803 HydrophobicContact CG1-CG1 4.36Å; V535-I803 HydrophobicContact CG2-CD1 4.46Å; V535-I803 HydrophobicContact CG2-CG1 4.18Å; T799-I803 HydrophobicContact CG2-CD1 4.25Å; T799-I803 WeakPolarHBondContact O-CG1 3.31Å; T799-I803 PolarHBondContact O-N 2.88Å; K800-I803 PolarHBondContact O-N 3.42Å; I803-N805 VanDerWaalsContact C-N 3.35Å; I803-N805 PolarHBondContact O-N 3.42Å; I803-I806 PolarHBondContact O-N 3.21Å; I803-A807 VanDerWaalsContact O-CB 3.24Å; I803-A807 WeakPolarHBondContact O-CB 3.4Å; I803-A807 PolarHBondContact O-N 3.45Å
804	R	98.8	Very high	98.6	Very high	77 Å²	77	25.2 Å²	25.2	29%	0.291	13%	0.132	S	C	.	.	H	α-helix	trans	-60.5	-43	175.4	-69.7	-176.2	-175	105.3	1.6	112.4	L523 V526 N708 K800 K801 V802 A807 C808	L523-R804 HydrophobicContact CD2-CG 4.31Å; V526-R804 HydrophobicContact CG2-CG 4.02Å; N708-R804 WeakPolarHBondContact ND2-CD 3.36Å; N708-R804 WeakPolarHBondContact OD1-CD 3.37Å; K800-R804 WeakPolarHBondContact O-CG 3.32Å; K800-R804 PolarHBondContact O-N 3.35Å; K800-R804 VanDerWaalsContact O-N 3.17Å; K801-R804 PolarHBondContact O-N 3.33Å; V802-R804 VanDerWaalsContact C-N 3.29Å; V802-R804 PolarHBondContact O-N 3.32Å; R804-A807 PolarHBondContact O-N 3.35Å; R804-C808 WeakPolarHBondContact O-CB 3.36Å; R804-C808 PolarHBondContact O-N 3.49Å; R804-C808 PolarHBondContact O-SG 3.44Å
805	N	98.8	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-45.5	177.2	-84.4	-96.8	0	0	0	111.8	M683 L688 N708 K801 V802 I803 C808 S809	M683-N805 WeakPolarHBondContact CE-O 3.35Å; M683-N805 HydrophobicContact CG-CB 4.08Å; L688-N805 WeakPolarHBondContact CD2-ND2 3.4Å; N708-N805 PolarHBondContact O-ND2 3.01Å; K801-N805 PolarHBondContact O-N 2.97Å; K801-N805 VanDerWaalsContact O-N 3.15Å; K801-N805 PolarHBondContact O-ND2 3.23Å; V802-N805 WeakPolarHBondContact O-CB 3.36Å; V802-N805 PolarHBondContact O-N 3.21Å; V802-N805 VanDerWaalsContact O-N 3.08Å; I803-N805 VanDerWaalsContact C-N 3.35Å; I803-N805 PolarHBondContact O-N 3.42Å; N805-C808 PolarHBondContact O-N 2.77Å; N805-S809 PolarHBondContact O-N 3.33Å
806	I	98.9	Very high	98.6	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-60.3	-50.1	175.6	-63.2	167.2	0	0	0	109.8	L500 I504 L519 L522 V535 V802 I803 C808 S809	L500-I806 HydrophobicContact CD1-CD1 4.27Å; L500-I806 HydrophobicContact CD2-CD1 4.14Å; I504-I806 HydrophobicContact CD1-CG2 4.08Å; L519-I806 WeakPolarHBondContact CD1-O 2.97Å; L522-I806 HydrophobicContact CD1-CG2 4.1Å; V535-I806 HydrophobicContact CG1-CD1 4.48Å; V802-I806 HydrophobicContact CG1-CD1 3.87Å; V802-I806 HydrophobicContact CG1-CG1 4.47Å; V802-I806 PolarHBondContact O-N 2.82Å; I803-I806 PolarHBondContact O-N 3.21Å; I806-C808 PolarHBondContact O-N 2.99Å; I806-S809 WeakPolarHBondContact O-CB 3.45Å; I806-S809 PolarHBondContact O-N 2.96Å; I806-S809 VanDerWaalsContact O-N 3.09Å; I806-S809 PolarHBondContact O-OG 2.65Å
807	A	98.7	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.1	-32.3	-177.1	0	0	0	0	0	113.4	L519 K520 L522 L523 I803 R804	L519-A807 CarbonylContact C-O 3.58Å; L519-A807 VanDerWaalsContact C-O 3.23Å; L519-A807 VanDerWaalsContact O-CA 3.32Å; L519-A807 WeakPolarHBondContact O-CA 3.36Å; L519-A807 WeakPolarHBondContact O-CB 3.43Å; K520-A807 WeakPolarHBondContact CA-O 3.34Å; K520-A807 PolarHBondContact N-O 3.34Å; K520-A807 VanDerWaalsContact N-O 3.15Å; L522-A807 HydrophobicContact CB-CB 3.91Å; L523-A807 HydrophobicContact CD2-CB 3.71Å; L523-A807 HydrophobicContact CG-CB 3.83Å; I803-A807 VanDerWaalsContact O-CB 3.24Å; I803-A807 WeakPolarHBondContact O-CB 3.4Å; I803-A807 PolarHBondContact O-N 3.45Å; R804-A807 PolarHBondContact O-N 3.35Å
808	C	98.4	Very high	98.7	Very high	11 Å²	11	14.8 Å²	14.8	7%	0.074	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	5.4	-180	-65.4	0	0	0	0	114	M683 E703 A704 R804 N805 I806 G810	M683-C808 HydrophobicContact CE-CB 4.21Å; E703-C808 HydrophobicContact CB-CB 4.24Å; E703-C808 VanDerWaalsContact O-CB 3.3Å; E703-C808 WeakPolarHBondContact O-CB 3.47Å; E703-C808 PolarHBondContact O-SG 2.65Å; A704-C808 HydrophobicContact CB-CB 4.24Å; R804-C808 WeakPolarHBondContact O-CB 3.36Å; R804-C808 PolarHBondContact O-N 3.49Å; R804-C808 PolarHBondContact O-SG 3.44Å; N805-C808 PolarHBondContact O-N 2.77Å; I806-C808 PolarHBondContact O-N 2.99Å; C808-G810 VanDerWaalsContact C-N 3.28Å; C808-G810 PolarHBondContact O-N 3.42Å
809	S	98.6	Very high	98.7	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-80.4	-5.5	-177.9	66.9	0	0	0	0	114.4	L519 L684 N805 I806 K811 F812	L519-S809 WeakPolarHBondContact CD1-OG 3.44Å; L684-S809 VanDerWaalsContact CD1-OG 3.22Å; L684-S809 WeakPolarHBondContact CD1-OG 3.28Å; N805-S809 PolarHBondContact O-N 3.33Å; I806-S809 WeakPolarHBondContact O-CB 3.45Å; I806-S809 PolarHBondContact O-N 2.96Å; I806-S809 VanDerWaalsContact O-N 3.09Å; I806-S809 PolarHBondContact O-OG 2.65Å; S809-K811 VanDerWaalsContact C-N 3.29Å; S809-K811 PolarHBondContact O-N 2.77Å; S809-K811 VanDerWaalsContact O-N 3.17Å; S809-F812 WeakPolarHBondContact O-CD2 3.43Å; S809-F812 PolarHBondContact O-N 2.97Å
810	G	98.3	Very high	98.7	Very high	8 Å²	8	17.4 Å²	17.4	8%	0.082	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-55	-36.1	-173.2	0	0	0	0	0	115.5	L516 C808 F812 S813	L516-G810 WeakPolarHBondContact O-CA 3.43Å; C808-G810 VanDerWaalsContact C-N 3.28Å; C808-G810 PolarHBondContact O-N 3.42Å; G810-F812 PolarHBondContact O-N 3.46Å; G810-F812 VanDerWaalsContact O-N 3.13Å; G810-S813 PolarHBondContact O-N 3.17Å
811	K	98.4	Very high	98.7	Very high	45 Å²	45	15.5 Å²	15.5	20%	0.196	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-58.1	-27.2	176.9	178.3	175.8	169	-168.8	0	112.8	E699 E703 S809 S813 R816	E699-K811 VanDerWaalsContact OE1-CE 3.31Å; E699-K811 WeakPolarHBondContact OE1-CE 3.4Å; E699-K811 IonicContact OE1-NZ 2.76Å; E699-K811 PolarHBondContact OE1-NZ 2.73Å; E703-K811 HydrophobicContact CG-CB 4.09Å; E703-K811 HydrophobicContact CG-CD 3.75Å; E703-K811 WeakPolarHBondContact OE1-CD 3.24Å; E703-K811 IonicContact OE1-NZ 2.68Å; S809-K811 VanDerWaalsContact C-N 3.29Å; S809-K811 PolarHBondContact O-N 2.77Å; S809-K811 VanDerWaalsContact O-N 3.17Å; K811-S813 VanDerWaalsContact C-N 3.31Å; K811-S813 PolarHBondContact O-N 2.95Å; K811-R816 VanDerWaalsContact O-CZ 3.28Å; K811-R816 PolarHBondContact O-NE 3.28Å; K811-R816 PolarHBondContact O-NH2 2.89Å
812	F	98.6	Very high	98.7	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.013	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-89.9	14	-173.2	-52.1	-64.8	0	0	0	113.9	G486 I487 M680 M683 E699 M700 E703 S809 G810	G486-F812 CarbonylContact C-O 3.55Å; G486-F812 WeakPolarHBondContact CA-O 3Å; I487-F812 PolarHBondContact N-O 2.98Å; M680-F812 HydrophobicContact CB-CB 4.03Å; M680-F812 HydrophobicContact CB-CG 4.47Å; M680-F812 HydrophobicContact CE-CD1 3.85Å; M680-F812 HydrophobicContact CG-CB 3.81Å; M680-F812 HydrophobicContact CG-CD1 4Å; M680-F812 HydrophobicContact CG-CG 3.9Å; M680-F812 HydrophobicContact SD-CB 3.94Å; M680-F812 HydrophobicContact SD-CD1 4.12Å; M680-F812 HydrophobicContact SD-CG 4.32Å; M683-F812 HydrophobicContact CE-CE2 4.15Å; M683-F812 HydrophobicContact SD-CD2 3.95Å; M683-F812 HydrophobicContact SD-CE2 3.71Å; E699-F812 HydrophobicContact CB-CE1 4.08Å; E699-F812 HydrophobicContact CB-CZ 4.27Å; M700-F812 HydrophobicContact CB-CE2 4.36Å; M700-F812 HydrophobicContact CB-CZ 4.16Å; M700-F812 HydrophobicContact CG-CD2 4.38Å; M700-F812 HydrophobicContact CG-CE1 4.09Å; M700-F812 HydrophobicContact CG-CE2 3.68Å; M700-F812 HydrophobicContact CG-CZ 3.52Å; E703-F812 HydrophobicContact CB-CE2 4.43Å; E703-F812 HydrophobicContact CG-CE2 4.24Å; E703-F812 HydrophobicContact CG-CZ 4.07Å; S809-F812 WeakPolarHBondContact O-CD2 3.43Å; S809-F812 PolarHBondContact O-N 2.97Å; G810-F812 PolarHBondContact O-N 3.46Å; G810-F812 VanDerWaalsContact O-N 3.13Å
813	S	98.8	Very high	98.6	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.028	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-65.9	136.1	166.6	-179.9	0	0	0	0	111	I487 G810 K811 D815 R816 T817	I487-S813 WeakPolarHBondContact O-CA 3.3Å; G810-S813 PolarHBondContact O-N 3.17Å; K811-S813 VanDerWaalsContact C-N 3.31Å; K811-S813 PolarHBondContact O-N 2.95Å; S813-D815 PolarHBondContact O-N 3.17Å; S813-D815 PolarHBondContact OG-N 3.5Å; S813-D815 VanDerWaalsContact OG-N 3.09Å; S813-D815 PolarHBondContact OG-OD2 3.32Å; S813-D815 VanDerWaalsContact OG-OD2 3.11Å; S813-R816 PolarHBondContact O-N 2.88Å; S813-T817 PolarHBondContact O-N 2.96Å
814	S	98.7	Very high	98.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-18.2	170	51.8	0	0	0	0	113	S147 I487 T488 T817 I818	S147-S814 VanDerWaalsContact OG-CB 3.32Å; S147-S814 WeakPolarHBondContact OG-CB 3.46Å; S147-S814 PolarHBondContact OG-OG 3.19Å; I487-S814 VanDerWaalsContact C-OG 3.25Å; I487-S814 PolarHBondContact O-N 2.76Å; I487-S814 PolarHBondContact O-OG 2.86Å; T488-S814 WeakPolarHBondContact CA-OG 3.42Å; T488-S814 PolarHBondContact N-OG 3.28Å; T488-S814 VanDerWaalsContact N-OG 3.13Å; S814-T817 PolarHBondContact O-N 3.45Å; S814-I818 WeakPolarHBondContact O-CB 3.32Å; S814-I818 WeakPolarHBondContact O-CG1 3.27Å; S814-I818 PolarHBondContact O-N 3.25Å
815	D	98.6	Very high	98.6	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.053	10%	0.102	C	C	.	.	H	α-helix	trans	-67.6	-39.4	175.5	-52.2	-33.2	0	0	0	111.3	S147 L151 R490 S813 I818 T819	S147-D815 WeakPolarHBondContact CA-OD1 3.35Å; S147-D815 VanDerWaalsContact CB-OD1 3.23Å; S147-D815 WeakPolarHBondContact CB-OD1 3.35Å; S147-D815 PolarHBondContact OG-N 3.13Å; S147-D815 PolarHBondContact OG-OD1 2.99Å; L151-D815 HydrophobicContact CD1-CB 4.27Å; L151-D815 HydrophobicContact CD2-CB 4.44Å; R490-D815 IonicContact CZ-OD1 2.72Å; R490-D815 IonicContact CZ-OD2 3.92Å; R490-D815 VanDerWaalsContact NH1-CG 3.3Å; R490-D815 IonicContact NH1-OD1 3.42Å; R490-D815 PolarHBondContact NH1-OD1 3.19Å; R490-D815 IonicContact NH1-OD2 3.83Å; R490-D815 PolarHBondContact NH1-OD2 3.19Å; R490-D815 IonicContact NH2-OD1 2.66Å; R490-D815 PolarHBondContact NH2-OD1 3.37Å; R490-D815 IonicContact NH2-OD2 3.64Å; S813-D815 PolarHBondContact O-N 3.17Å; S813-D815 PolarHBondContact OG-N 3.5Å; S813-D815 VanDerWaalsContact OG-N 3.09Å; S813-D815 PolarHBondContact OG-OD2 3.32Å; S813-D815 VanDerWaalsContact OG-OD2 3.11Å; D815-I818 PolarHBondContact O-N 3.26Å; D815-T819 VanDerWaalsContact O-CB 3.32Å; D815-T819 WeakPolarHBondContact O-CB 3.43Å; D815-T819 PolarHBondContact O-N 2.94Å; D815-T819 PolarHBondContact O-OG1 3.47Å
816	R	98.6	Very high	98.6	Very high	50 Å²	50	22.5 Å²	22.5	19%	0.189	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-49.1	173.1	-177.8	-82.6	-54.5	149.3	6.6	109.8	T484 N485 K811 S813 I818 T819 E820	T484-R816 PolarHBondContact O-NH1 3.18Å; T484-R816 PolarHBondContact O-NH2 2.61Å; T484-R816 VanDerWaalsContact O-NH2 3.12Å; N485-R816 PolarHBondContact O-NH2 2.86Å; K811-R816 VanDerWaalsContact O-CZ 3.28Å; K811-R816 PolarHBondContact O-NE 3.28Å; K811-R816 PolarHBondContact O-NH2 2.89Å; S813-R816 PolarHBondContact O-N 2.88Å; R816-I818 PolarHBondContact O-N 3.19Å; R816-T819 WeakPolarHBondContact O-CB 3.5Å; R816-T819 PolarHBondContact O-N 3.13Å; R816-E820 VanDerWaalsContact CD-CD 3.46Å; R816-E820 WeakPolarHBondContact CD-OE1 3.37Å; R816-E820 IonicContact CZ-OE2 3.39Å; R816-E820 IonicContact NE-OE1 2.8Å; R816-E820 IonicContact NH1-OE1 3.25Å; R816-E820 IonicContact NH1-OE2 2.71Å; R816-E820 PolarHBondContact NH1-OE2 2.64Å; R816-E820 WeakPolarHBondContact O-CG 3.44Å; R816-E820 PolarHBondContact O-N 3.19Å
817	T	98.7	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.4	-52.4	176.4	-53.9	0	0	0	0	111.3	F144 T484 G486 S813 S814 T819 E820 Y821	F144-T817 HydrophobicContact CE1-CG2 3.7Å; F144-T817 HydrophobicContact CZ-CG2 3.58Å; T484-T817 WeakPolarHBondContact O-CG2 3.34Å; T484-T817 PolarHBondContact O-OG1 3.48Å; G486-T817 PolarHBondContact N-OG1 3.33Å; S813-T817 PolarHBondContact O-N 2.96Å; S814-T817 PolarHBondContact O-N 3.45Å; T817-T819 VanDerWaalsContact C-N 3.3Å; T817-T819 PolarHBondContact O-N 2.91Å; T817-E820 WeakPolarHBondContact O-CB 3.39Å; T817-E820 PolarHBondContact O-N 2.75Å; T817-E820 VanDerWaalsContact O-N 3.15Å; T817-Y821 HydrophobicContact CG2-CD2 3.79Å; T817-Y821 HydrophobicContact CG2-CE2 3.55Å; T817-Y821 VanDerWaalsContact O-CD2 3.28Å; T817-Y821 WeakPolarHBondContact O-CD2 3.33Å; T817-Y821 PolarHBondContact O-N 2.97Å
818	I	98.8	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-34	-179.2	-71.2	-60.5	0	0	0	112.4	F144 M148 L151 L153 S814 D815 R816 Y821 A822 W826	F144-I818 HydrophobicContact CB-CD1 3.8Å; F144-I818 HydrophobicContact CB-CG1 4.38Å; F144-I818 HydrophobicContact CD1-CD1 3.87Å; F144-I818 HydrophobicContact CD1-CG1 4.07Å; F144-I818 HydrophobicContact CD2-CD1 3.88Å; F144-I818 HydrophobicContact CE1-CD1 4.38Å; F144-I818 HydrophobicContact CE2-CD1 4.4Å; F144-I818 HydrophobicContact CG-CD1 3.59Å; F144-I818 HydrophobicContact CG-CG1 4.23Å; M148-I818 HydrophobicContact CG-CD1 3.95Å; M148-I818 HydrophobicContact CG-CG1 4.23Å; M148-I818 HydrophobicContact CG-CG2 3.69Å; M148-I818 HydrophobicContact SD-CD1 4.41Å; L151-I818 HydrophobicContact CD1-CB 3.92Å; L151-I818 HydrophobicContact CD1-CG2 3.56Å; L153-I818 HydrophobicContact CD1-CG2 3.54Å; S814-I818 WeakPolarHBondContact O-CB 3.32Å; S814-I818 WeakPolarHBondContact O-CG1 3.27Å; S814-I818 PolarHBondContact O-N 3.25Å; D815-I818 PolarHBondContact O-N 3.26Å; R816-I818 PolarHBondContact O-N 3.19Å; I818-Y821 PolarHBondContact O-N 2.69Å; I818-A822 VanDerWaalsContact O-CB 3.23Å; I818-A822 WeakPolarHBondContact O-CB 3.5Å; I818-A822 PolarHBondContact O-N 2.93Å; I818-W826 HydrophobicContact CD1-CH2 3.9Å; I818-W826 HydrophobicContact CD1-CZ3 4.34Å; I818-W826 HydrophobicContact CG2-CZ3 4.38Å
819	T	98.6	Very high	98.4	Very high	29 Å²	29	31.2 Å²	31.2	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-42.9	173.5	-61.9	0	0	0	0	111.5	D815 R816 T817 A822 R823 P830	D815-T819 VanDerWaalsContact O-CB 3.32Å; D815-T819 WeakPolarHBondContact O-CB 3.43Å; D815-T819 PolarHBondContact O-N 2.94Å; D815-T819 PolarHBondContact O-OG1 3.47Å; R816-T819 WeakPolarHBondContact O-CB 3.5Å; R816-T819 PolarHBondContact O-N 3.13Å; T817-T819 VanDerWaalsContact C-N 3.3Å; T817-T819 PolarHBondContact O-N 2.91Å; T819-A822 PolarHBondContact O-N 3.47Å; T819-R823 WeakPolarHBondContact O-CG 3.4Å; T819-R823 PolarHBondContact O-N 3.34Å; T819-R823 VanDerWaalsContact O-N 3.07Å; T819-P830 HydrophobicContact CG2-CG 4.05Å
820	E	98.6	Very high	98.1	Very high	51 Å²	51	32.5 Å²	32.5	24%	0.238	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-45.2	175	-65.2	167.9	170.4	0	0	111.3	K483 R816 T817 A822 R823 E824	K483-E820 HydrophobicContact CD-CB 3.48Å; K483-E820 VanDerWaalsContact CD-CB 3.48Å; K483-E820 VanDerWaalsContact CE-C 3.45Å; K483-E820 VanDerWaalsContact CE-O 3.32Å; K483-E820 WeakPolarHBondContact CE-O 3.48Å; R816-E820 VanDerWaalsContact CD-CD 3.46Å; R816-E820 WeakPolarHBondContact CD-OE1 3.37Å; R816-E820 IonicContact CZ-OE2 3.39Å; R816-E820 IonicContact NE-OE1 2.8Å; R816-E820 IonicContact NH1-OE1 3.25Å; R816-E820 IonicContact NH1-OE2 2.71Å; R816-E820 PolarHBondContact NH1-OE2 2.64Å; R816-E820 WeakPolarHBondContact O-CG 3.44Å; R816-E820 PolarHBondContact O-N 3.19Å; T817-E820 WeakPolarHBondContact O-CB 3.39Å; T817-E820 PolarHBondContact O-N 2.75Å; T817-E820 VanDerWaalsContact O-N 3.15Å; E820-A822 VanDerWaalsContact C-N 3.33Å; E820-A822 PolarHBondContact O-N 3.17Å; E820-R823 PolarHBondContact O-N 3.15Å; E820-E824 VanDerWaalsContact O-CB 3.29Å; E820-E824 WeakPolarHBondContact O-CB 3.28Å; E820-E824 PolarHBondContact O-N 3.25Å
821	Y	98.8	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-45.2	174.5	-85.8	-89.3	0	0	0	111.7	F144 T376 N454 K483 T817 I818 R823 I825 W826	F144-Y821 HydrophobicContact CE2-CE2 4.09Å; F144-Y821 HydrophobicContact CZ-CE2 4.03Å; T376-Y821 PolarHBondContact OG1-OH 2.98Å; N454-Y821 PolarHBondContact ND2-OH 3.18Å; K483-Y821 HydrophobicContact CB-CD2 3.97Å; K483-Y821 HydrophobicContact CB-CE1 4.39Å; K483-Y821 HydrophobicContact CB-CE2 3.31Å; K483-Y821 HydrophobicContact CD-CD2 4.04Å; K483-Y821 HydrophobicContact CD-CE2 4.26Å; K483-Y821 HydrophobicContact CD-CG 4.3Å; K483-Y821 HydrophobicContact CG-CD1 4.32Å; K483-Y821 HydrophobicContact CG-CD2 3.92Å; K483-Y821 HydrophobicContact CG-CE1 4.08Å; K483-Y821 HydrophobicContact CG-CE2 3.67Å; K483-Y821 HydrophobicContact CG-CG 4.24Å; T817-Y821 HydrophobicContact CG2-CD2 3.79Å; T817-Y821 HydrophobicContact CG2-CE2 3.55Å; T817-Y821 VanDerWaalsContact O-CD2 3.28Å; T817-Y821 WeakPolarHBondContact O-CD2 3.33Å; T817-Y821 PolarHBondContact O-N 2.97Å; I818-Y821 PolarHBondContact O-N 2.69Å; Y821-R823 PolarHBondContact O-N 3.06Å; Y821-I825 HydrophobicContact CD1-CD1 3.67Å; Y821-I825 HydrophobicContact CE1-CD1 3.93Å; Y821-I825 HydrophobicContact CG-CD1 4.47Å; Y821-I825 WeakPolarHBondContact O-CA 3.41Å; Y821-I825 WeakPolarHBondContact O-CB 3.49Å; Y821-I825 PolarHBondContact O-N 2.94Å; Y821-I825 VanDerWaalsContact O-N 3.07Å; Y821-W826 HydrophobicContact CD1-CH2 4.35Å; Y821-W826 AromaticContact CD1-CZ2 3.73Å; Y821-W826 HydrophobicContact CD1-CZ2 3.73Å; Y821-W826 HydrophobicContact CG-CH2 4.11Å; Y821-W826 AromaticContact CG-CZ2 3.95Å; Y821-W826 HydrophobicContact CG-CZ2 3.95Å; Y821-W826 PolarHBondContact O-N 2.85Å
822	A	98.6	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-59.4	-48.6	-178.3	0	0	0	0	0	111.5	L153 I818 T819 E820 W826 G827 V828 P830	L153-A822 HydrophobicContact CD1-CB 4.09Å; I818-A822 VanDerWaalsContact O-CB 3.23Å; I818-A822 WeakPolarHBondContact O-CB 3.5Å; I818-A822 PolarHBondContact O-N 2.93Å; T819-A822 PolarHBondContact O-N 3.47Å; E820-A822 VanDerWaalsContact C-N 3.33Å; E820-A822 PolarHBondContact O-N 3.17Å; A822-W826 HydrophobicContact CB-CE3 4.19Å; A822-W826 CarbonylContact O-C 3.51Å; A822-G827 PolarHBondContact O-N 3.34Å; A822-V828 CarbonylContact C-O 3.58Å; A822-V828 HydrophobicContact CB-CG2 3.73Å; A822-V828 WeakPolarHBondContact CB-O 3.31Å; A822-V828 PolarHBondContact O-N 3.34Å; A822-V828 VanDerWaalsContact O-O 3.09Å; A822-P830 HydrophobicContact CB-CG 4.46Å
823	R	98.5	Very high	95.5	Very high	135 Å²	135	44.4 Å²	44.4	51%	0.509	24%	0.235	S	C	.	.	I	π-helix	trans	-76.9	-45	-176.5	-69.6	-178.7	170.8	150.6	3.9	113.8	T819 E820 Y821 E829	T819-R823 WeakPolarHBondContact O-CG 3.4Å; T819-R823 PolarHBondContact O-N 3.34Å; T819-R823 VanDerWaalsContact O-N 3.07Å; E820-R823 PolarHBondContact O-N 3.15Å; Y821-R823 PolarHBondContact O-N 3.06Å; R823-E829 IonicContact CZ-OE2 2.71Å; R823-E829 IonicContact NE-OE1 2.83Å; R823-E829 IonicContact NE-OE2 3.66Å; R823-E829 PolarHBondContact NE-OE2 3.45Å; R823-E829 IonicContact NH2-OE2 3.7Å; R823-E829 PolarHBondContact NH2-OE2 3.47Å
824	E	98.6	Very high	94.5	Very high	107 Å²	107	50.3 Å²	50.3	50%	0.5	26%	0.262	S	S	.	.	I	π-helix	trans	-96.6	-13.5	-166.3	-58.9	170.3	-153.3	0	0	113.7	Q481 K483 E820	Q481-E824 PolarHBondContact NE2-O 2.73Å; Q481-E824 VanDerWaalsContact NE2-O 3.17Å; K483-E824 IonicContact NZ-OE2 3.86Å; K483-E824 PolarHBondContact NZ-OE2 2.78Å; E820-E824 VanDerWaalsContact O-CB 3.29Å; E820-E824 WeakPolarHBondContact O-CB 3.28Å; E820-E824 PolarHBondContact O-N 3.25Å
825	I	98.6	Very high	93.7	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.056	26%	0.264	C	S	.	.	I	π-helix	trans	-123.9	-56	-179.6	-58.8	178.4	0	0	0	110.4	A374 H451 A452 N454 K483 Y821	A374-I825 HydrophobicContact CB-CG2 3.47Å; A374-I825 VanDerWaalsContact CB-CG2 3.47Å; H451-I825 PolarHBondContact NE2-O 3.15Å; A452-I825 HydrophobicContact CB-CG1 4.26Å; A452-I825 HydrophobicContact CB-CG2 4Å; N454-I825 HydrophobicContact CB-CD1 4.48Å; K483-I825 HydrophobicContact CG-CD1 4.11Å; Y821-I825 HydrophobicContact CD1-CD1 3.67Å; Y821-I825 HydrophobicContact CE1-CD1 3.93Å; Y821-I825 HydrophobicContact CG-CD1 4.47Å; Y821-I825 WeakPolarHBondContact O-CA 3.41Å; Y821-I825 WeakPolarHBondContact O-CB 3.49Å; Y821-I825 PolarHBondContact O-N 2.94Å; Y821-I825 VanDerWaalsContact O-N 3.07Å
826	W	98.6	Very high	92.9	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.008	28%	0.284	C	S	.	.	I	π-helix	trans	-82.7	-19.1	-171.1	-54.5	-30.8	0	0	0	114.1	K81 I83 M148 A335 Q337 I818 Y821 A822 V828	K81-W826 WeakPolarHBondContact CD-O 3.33Å; K81-W826 WeakPolarHBondContact CE-O 3.45Å; K81-W826 PolarHBondContact NZ-O 3.22Å; I83-W826 HydrophobicContact CB-CE3 4.48Å; I83-W826 HydrophobicContact CD1-CE3 3.8Å; I83-W826 HydrophobicContact CD1-CZ3 4.27Å; I83-W826 HydrophobicContact CG1-CB 4.36Å; I83-W826 HydrophobicContact CG1-CD2 4.14Å; I83-W826 HydrophobicContact CG1-CE3 3.88Å; I83-W826 HydrophobicContact CG1-CG 4.35Å; I83-W826 HydrophobicContact CG2-CD2 3.76Å; I83-W826 HydrophobicContact CG2-CE3 3.79Å; I83-W826 HydrophobicContact CG2-CG 4.38Å; I83-W826 HydrophobicContact CG2-CH2 4.07Å; I83-W826 HydrophobicContact CG2-CZ2 4.03Å; I83-W826 HydrophobicContact CG2-CZ3 3.95Å; M148-W826 HydrophobicContact SD-CH2 4.05Å; M148-W826 HydrophobicContact SD-CZ3 4.13Å; A335-W826 HydrophobicContact CB-CB 4.15Å; A335-W826 HydrophobicContact CB-CG 4.19Å; Q337-W826 HydrophobicContact CB-CZ2 4.24Å; Q337-W826 HydrophobicContact CG-CZ2 4.24Å; I818-W826 HydrophobicContact CD1-CH2 3.9Å; I818-W826 HydrophobicContact CD1-CZ3 4.34Å; I818-W826 HydrophobicContact CG2-CZ3 4.38Å; Y821-W826 HydrophobicContact CD1-CH2 4.35Å; Y821-W826 AromaticContact CD1-CZ2 3.73Å; Y821-W826 HydrophobicContact CD1-CZ2 3.73Å; Y821-W826 HydrophobicContact CG-CH2 4.11Å; Y821-W826 AromaticContact CG-CZ2 3.95Å; Y821-W826 HydrophobicContact CG-CZ2 3.95Å; Y821-W826 PolarHBondContact O-N 2.85Å; A822-W826 HydrophobicContact CB-CE3 4.19Å; A822-W826 CarbonylContact O-C 3.51Å; W826-V828 HydrophobicContact CB-CG2 3.93Å; W826-V828 HydrophobicContact CE3-CG2 4.5Å
827	G	97.9	Very high	91.7	Very high	57 Å²	57	52.7 Å²	52.7	59%	0.588	28%	0.284	S	S	*	.			trans	67.7	44.2	-178.3	0	0	0	0	0	112.6	A822	A822-G827 PolarHBondContact O-N 3.34Å
828	V	97.3	Very high	90.4	Very high	21 Å²	21	54.9 Å²	54.9	13%	0.127	30%	0.298	C	S	.	.			trans	-134.4	145.5	178.8	-65.9	0	0	0	0	110.7	K81 I83 L153 A822 W826	K81-V828 HydrophobicContact CB-CG1 3.8Å; K81-V828 HydrophobicContact CD-CG1 4Å; K81-V828 HydrophobicContact CG-CG1 4.06Å; I83-V828 HydrophobicContact CD1-CG2 3.81Å; I83-V828 HydrophobicContact CG1-CG2 4.34Å; L153-V828 HydrophobicContact CD2-CG2 4.19Å; A822-V828 CarbonylContact C-O 3.58Å; A822-V828 HydrophobicContact CB-CG2 3.73Å; A822-V828 WeakPolarHBondContact CB-O 3.31Å; A822-V828 PolarHBondContact O-N 3.34Å; A822-V828 VanDerWaalsContact O-O 3.09Å; W826-V828 HydrophobicContact CB-CG2 3.93Å; W826-V828 HydrophobicContact CE3-CG2 4.5Å
829	E	95.8	Very high	89.1	Confident	121 Å²	121	61.2 Å²	61.2	57%	0.565	33%	0.332	S	S	*	.			trans	-96.8	133.6	176.1	-74	-61.6	148	0	0	111	R823	R823-E829 IonicContact CZ-OE2 2.71Å; R823-E829 IonicContact NE-OE1 2.83Å; R823-E829 IonicContact NE-OE2 3.66Å; R823-E829 PolarHBondContact NE-OE2 3.45Å; R823-E829 IonicContact NH2-OE2 3.7Å; R823-E829 PolarHBondContact NH2-OE2 3.47Å
830	P	92.8	Very high	87.8	Confident	29 Å²	29	64.1 Å²	64.1	19%	0.188	35%	0.345	C	S	.	.			trans	-53.4	151.4	163.8	-26.5	36.6	0	0	0	112.2	L151 T819 A822	L151-P830 HydrophobicContact CB-CB 4.2Å; L151-P830 HydrophobicContact CD2-CB 4.21Å; T819-P830 HydrophobicContact CG2-CG 4.05Å; A822-P830 HydrophobicContact CB-CG 4.46Å
831	S	84.9	Confident	86.2	Confident	48 Å²	48	66.6 Å²	66.6	34%	0.336	37%	0.366	S	S	.	.			trans	-133.9	133.5	-178.6	-170.3	0	0	0	0	112	L151 L833	L151-S831 CarbonylContact C-O 3.16Å; L151-S831 PolarHBondContact O-N 3.24Å; S831-L833 VanDerWaalsContact OG-CB 3.25Å; S831-L833 WeakPolarHBondContact OG-CB 3.46Å; S831-L833 PolarHBondContact OG-N 2.82Å
832	D	77.6	Confident	84.4	Confident	158 Å²	158	71.2 Å²	71.2	85%	0.845	38%	0.383	S	S	*	.			trans	-86.6	6.6	170	-59.1	-36.3	0	0	0	112.3	Q834	D832-Q834 PolarHBondContact O-N 3.29Å; D832-Q834 VanDerWaalsContact O-N 3.09Å
833	L	77.8	Confident	82.2	Confident	100 Å²	100	82.4 Å²	82.4	52%	0.524	44%	0.443	S	S	.	.			trans	-64.4	113.9	-178.9	-175.5	72.4	0	0	0	110.1	S831	S831-L833 VanDerWaalsContact OG-CB 3.25Å; S831-L833 WeakPolarHBondContact OG-CB 3.46Å; S831-L833 PolarHBondContact OG-N 2.82Å
834	Q	78.6	Confident	81.3	Confident	127 Å²	127	79.8 Å²	79.8	59%	0.593	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-80.2	124.6	174	-64.6	-169.7	-2.9	0	0	110.5	D832	D832-Q834 PolarHBondContact O-N 3.29Å; D832-Q834 VanDerWaalsContact O-N 3.09Å
835	I	82.5	Confident	80.4	Confident	11 Å²	11	78.4 Å²	78.4	6%	0.056	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-70.6	132	170.6	-62.3	173.1	0	0	0	107.6	R70 T71 N237	R70-I835 HydrophobicContact CB-CG2 4.17Å; T71-I835 HydrophobicContact CG2-CD1 4.02Å; T71-I835 WeakPolarHBondContact OG1-CD1 3.28Å; N237-I835 HydrophobicContact CB-CB 4.44Å; N237-I835 WeakPolarHBondContact CB-O 3.45Å; N237-I835 PolarHBondContact ND2-O 3.45Å
836	P	80.2	Confident	79.4	Confident	70 Å²	70	82.1 Å²	82.1	46%	0.455	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-56.7	132.1	-179.9	-26.3	33.5	0	0	0	111.9	R70	R70-P836 PolarHBondContact NH1-O 3.2Å
837	P	74.8	Confident	78.3	Confident	29 Å²	29	86.8 Å²	86.8	19%	0.188	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-64.8	154.6	-178	28.1	-36.2	0	0	0	111.8	R70 N839 I840	R70-P837 VanDerWaalsContact NH1-C 3.3Å; R70-P837 PolarHBondContact NH1-O 3.03Å; P837-N839 VanDerWaalsContact CB-OD1 3.3Å; P837-N839 WeakPolarHBondContact CB-OD1 3.4Å; P837-N839 VanDerWaalsContact CG-OD1 3.3Å; P837-N839 WeakPolarHBondContact CG-OD1 3.4Å; P837-N839 PolarHBondContact O-N 3.26Å; P837-N839 PolarHBondContact O-OD1 3.19Å; P837-I840 HydrophobicContact CG-CD1 3.8Å; P837-I840 HydrophobicContact CG-CG1 4.05Å; P837-I840 PolarHBondContact O-N 3.22Å
838	P	70.6	Confident	77.1	Confident	46 Å²	46	88.7 Å²	88.7	30%	0.299	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-25	-170.7	-28.3	36.6	0	0	0	116.7	R67 R70	R67-P838 HydrophobicContact CG-CG 3.69Å; R70-P838 PolarHBondContact NH2-O 3.05Å
839	N	72.1	Confident	75.7	Confident	134 Å²	134	93.2 Å²	93.2	72%	0.717	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.1	-179.7	59.6	-25.8	0	0	0	113.8	P837	P837-N839 VanDerWaalsContact CB-OD1 3.3Å; P837-N839 WeakPolarHBondContact CB-OD1 3.4Å; P837-N839 VanDerWaalsContact CG-OD1 3.3Å; P837-N839 WeakPolarHBondContact CG-OD1 3.4Å; P837-N839 PolarHBondContact O-N 3.26Å; P837-N839 PolarHBondContact O-OD1 3.19Å
840	I	71.6	Confident	74.3	Confident	89 Å²	89	91.2 Å²	91.2	46%	0.456	50%	0.497	S	S	.	.	S	Bend	trans	-96.1	126	174.5	-57.3	-178.9	0	0	0	108.2	R70 P837	R70-I840 PolarHBondContact NH1-O 3.34Å; R70-I840 PolarHBondContact NH2-O 3.4Å; P837-I840 HydrophobicContact CG-CD1 3.8Å; P837-I840 HydrophobicContact CG-CG1 4.05Å; P837-I840 PolarHBondContact O-N 3.22Å
841	P	64.5	Low	72.9	Confident	104 Å²	104	96 Å²	96	68%	0.675	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-54.7	151.2	172.7	-23	33	0	0	0	111.6
842	R	59.8	Low	71.9	Confident	96 Å²	96	100 Å²	100	36%	0.362	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-77.2	134.2	167.5	-79.5	179.8	165	-146.1	-4	108.3	R70 Q73 E77	R70-R842 PolarHBondContact O-NH2 3.25Å; Q73-R842 VanDerWaalsContact CD-CZ 3.49Å; E77-R842 VanDerWaalsContact CD-NH1 3.27Å; E77-R842 IonicContact OE1-CZ 3.44Å; E77-R842 IonicContact OE1-NH1 3.79Å; E77-R842 PolarHBondContact OE1-NH1 3.48Å; E77-R842 IonicContact OE2-CZ 2.9Å; E77-R842 IonicContact OE2-NH1 3.64Å; E77-R842 PolarHBondContact OE2-NH1 2.84Å; E77-R842 IonicContact OE2-NH2 3.18Å
843	D	52.5	Low	71.4	Confident	236 Å²	236	94.7 Å²	94.7	100%	1.262	51%	0.508	S	S	*	.			trans	-68.2	0	165.6	-68.7	-31.8	0	0	0	111.4

Retrieved 843 of 843 residues in 2339 ms (Link to these results)

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